USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 833 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 68 THR OG1 : rot -73:sc= -2.93! USER MOD Set 1.2: A 70 MET CE :methyl -153:sc= -0.149 (180deg=-0.153) USER MOD Set 2.1: A 1 MET N :NH3+ 170:sc= 0.938 (180deg=0) USER MOD Set 2.2: A 44 GLN : amide:sc= 0.754 K(o=1.7,f=-6!) USER MOD Set 3.1: A 11 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 15 HIS : no HD1:sc=-0.00487 X(o=-0.0049,f=-0.37) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 9 CYS SG : rot 69:sc= 0.528 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0589 K(o=-0.059,f=-1.4) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.39 K(o=-1.4,f=-1.9) USER MOD Single : A 29 HIS : no HD1:sc= -0.996 K(o=-1,f=-3.7!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0822 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 86:sc= 0.568 USER MOD Single : A 39 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.057) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.2! K(o=-3.2!,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.031 (180deg=-0.221) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -33:sc= 1.09 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.00092) USER MOD Single : A 84 GLN : amide:sc=-0.00606 X(o=-0.0061,f=-0.46) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc=0.000991 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= -0.0377 (180deg=-0.162) USER MOD Single : A 94 CYS SG : rot -120:sc= -0.281 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.122 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.991 -0.748 -0.287 1.00 0.00 N ATOM 2 CA MET A 1 2.613 -0.549 -1.591 1.00 0.00 C ATOM 3 C MET A 1 1.762 -1.164 -2.698 1.00 0.00 C ATOM 4 O MET A 1 1.403 -2.340 -2.637 1.00 0.00 O ATOM 5 CB MET A 1 4.015 -1.160 -1.610 1.00 0.00 C ATOM 6 CG MET A 1 5.078 -0.224 -2.163 1.00 0.00 C ATOM 7 SD MET A 1 5.781 0.853 -0.899 1.00 0.00 S ATOM 8 CE MET A 1 7.081 1.661 -1.828 1.00 0.00 C ATOM 0 H1 MET A 1 2.660 -0.476 0.462 1.00 0.00 H new ATOM 0 H2 MET A 1 1.135 -0.161 -0.217 1.00 0.00 H new ATOM 0 H3 MET A 1 1.734 -1.749 -0.174 1.00 0.00 H new ATOM 0 HA MET A 1 2.690 0.524 -1.769 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.290 -1.450 -0.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.998 -2.071 -2.208 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.875 -0.813 -2.617 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.643 0.387 -2.954 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.610 2.361 -1.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.780 0.913 -2.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.646 2.202 -2.668 1.00 0.00 H new ATOM 18 N ASP A 2 1.443 -0.362 -3.708 1.00 0.00 N ATOM 19 CA ASP A 2 0.635 -0.828 -4.829 1.00 0.00 C ATOM 20 C ASP A 2 1.478 -1.644 -5.804 1.00 0.00 C ATOM 21 O ASP A 2 2.673 -1.398 -5.963 1.00 0.00 O ATOM 22 CB ASP A 2 -0.001 0.358 -5.554 1.00 0.00 C ATOM 23 CG ASP A 2 -1.372 0.028 -6.111 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.439 -0.563 -7.209 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.378 0.361 -5.450 1.00 0.00 O ATOM 0 H ASP A 2 1.732 0.614 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.154 -1.468 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.084 1.199 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.652 0.676 -6.367 1.00 0.00 H new ATOM 30 N ASN A 3 0.847 -2.616 -6.454 1.00 0.00 N ATOM 31 CA ASN A 3 1.540 -3.469 -7.413 1.00 0.00 C ATOM 32 C ASN A 3 2.250 -2.632 -8.472 1.00 0.00 C ATOM 33 O ASN A 3 3.406 -2.889 -8.809 1.00 0.00 O ATOM 34 CB ASN A 3 0.551 -4.426 -8.083 1.00 0.00 C ATOM 35 CG ASN A 3 0.134 -5.560 -7.166 1.00 0.00 C ATOM 36 OD1 ASN A 3 -1.025 -5.653 -6.763 1.00 0.00 O ATOM 37 ND2 ASN A 3 1.081 -6.429 -6.832 1.00 0.00 N ATOM 0 H ASN A 3 -0.142 -2.833 -6.334 1.00 0.00 H new ATOM 0 HA ASN A 3 2.288 -4.049 -6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.333 -3.871 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.003 -4.839 -8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.860 -7.213 -6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.029 -6.313 -7.190 1.00 0.00 H new ATOM 44 N ARG A 4 1.551 -1.629 -8.993 1.00 0.00 N ATOM 45 CA ARG A 4 2.114 -0.754 -10.015 1.00 0.00 C ATOM 46 C ARG A 4 3.197 0.144 -9.424 1.00 0.00 C ATOM 47 O ARG A 4 4.238 0.368 -10.042 1.00 0.00 O ATOM 48 CB ARG A 4 1.015 0.103 -10.646 1.00 0.00 C ATOM 49 CG ARG A 4 0.443 -0.486 -11.925 1.00 0.00 C ATOM 50 CD ARG A 4 -0.635 -1.518 -11.631 1.00 0.00 C ATOM 51 NE ARG A 4 -1.737 -0.952 -10.857 1.00 0.00 N ATOM 52 CZ ARG A 4 -2.773 -1.663 -10.426 1.00 0.00 C ATOM 53 NH1 ARG A 4 -2.848 -2.960 -10.692 1.00 0.00 N ATOM 54 NH2 ARG A 4 -3.737 -1.077 -9.727 1.00 0.00 N ATOM 0 H ARG A 4 0.594 -1.402 -8.724 1.00 0.00 H new ATOM 0 HA ARG A 4 2.564 -1.380 -10.786 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.209 0.234 -9.924 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.416 1.094 -10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.026 0.312 -12.539 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.243 -0.949 -12.503 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.019 -1.919 -12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.198 -2.353 -11.083 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.709 0.043 -10.635 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.109 -3.414 -11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.645 -3.504 -10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.683 -0.080 -9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.532 -1.624 -9.397 1.00 0.00 H new ATOM 68 N VAL A 5 2.945 0.656 -8.224 1.00 0.00 N ATOM 69 CA VAL A 5 3.898 1.529 -7.549 1.00 0.00 C ATOM 70 C VAL A 5 5.204 0.797 -7.259 1.00 0.00 C ATOM 71 O VAL A 5 6.287 1.370 -7.373 1.00 0.00 O ATOM 72 CB VAL A 5 3.323 2.074 -6.228 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.344 2.954 -5.523 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.034 2.840 -6.485 1.00 0.00 C ATOM 0 H VAL A 5 2.088 0.481 -7.699 1.00 0.00 H new ATOM 0 HA VAL A 5 4.094 2.363 -8.222 1.00 0.00 H new ATOM 0 HB VAL A 5 3.095 1.231 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.919 3.330 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.238 2.370 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.607 3.794 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.641 3.218 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.235 3.676 -7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.301 2.176 -6.943 1.00 0.00 H new ATOM 84 N ARG A 6 5.092 -0.473 -6.882 1.00 0.00 N ATOM 85 CA ARG A 6 6.264 -1.283 -6.574 1.00 0.00 C ATOM 86 C ARG A 6 7.144 -1.459 -7.809 1.00 0.00 C ATOM 87 O ARG A 6 8.371 -1.457 -7.713 1.00 0.00 O ATOM 88 CB ARG A 6 5.838 -2.652 -6.040 1.00 0.00 C ATOM 89 CG ARG A 6 6.823 -3.254 -5.052 1.00 0.00 C ATOM 90 CD ARG A 6 6.155 -3.573 -3.723 1.00 0.00 C ATOM 91 NE ARG A 6 6.745 -4.744 -3.081 1.00 0.00 N ATOM 92 CZ ARG A 6 6.146 -5.432 -2.115 1.00 0.00 C ATOM 93 NH1 ARG A 6 4.947 -5.069 -1.684 1.00 0.00 N ATOM 94 NH2 ARG A 6 6.748 -6.487 -1.580 1.00 0.00 N ATOM 0 H ARG A 6 4.203 -0.962 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 6 6.841 -0.765 -5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.865 -2.558 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.713 -3.337 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.252 -4.164 -5.473 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.647 -2.559 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.241 -2.713 -3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.091 -3.746 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 6 7.667 -5.051 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.481 -4.259 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.490 -5.599 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.671 -6.770 -1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.288 -7.015 -0.838 1.00 0.00 H new ATOM 108 N GLU A 7 6.507 -1.610 -8.966 1.00 0.00 N ATOM 109 CA GLU A 7 7.233 -1.788 -10.218 1.00 0.00 C ATOM 110 C GLU A 7 8.090 -0.565 -10.529 1.00 0.00 C ATOM 111 O GLU A 7 9.175 -0.682 -11.098 1.00 0.00 O ATOM 112 CB GLU A 7 6.255 -2.045 -11.367 1.00 0.00 C ATOM 113 CG GLU A 7 6.846 -2.874 -12.495 1.00 0.00 C ATOM 114 CD GLU A 7 6.008 -2.822 -13.758 1.00 0.00 C ATOM 115 OE1 GLU A 7 4.870 -2.312 -13.694 1.00 0.00 O ATOM 116 OE2 GLU A 7 6.490 -3.292 -14.810 1.00 0.00 O ATOM 0 H GLU A 7 5.492 -1.613 -9.062 1.00 0.00 H new ATOM 0 HA GLU A 7 7.890 -2.651 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.374 -2.554 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.919 -1.089 -11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.852 -2.516 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.941 -3.910 -12.169 1.00 0.00 H new ATOM 123 N ALA A 8 7.595 0.609 -10.151 1.00 0.00 N ATOM 124 CA ALA A 8 8.315 1.854 -10.387 1.00 0.00 C ATOM 125 C ALA A 8 9.658 1.856 -9.665 1.00 0.00 C ATOM 126 O ALA A 8 10.642 2.402 -10.167 1.00 0.00 O ATOM 127 CB ALA A 8 7.474 3.042 -9.946 1.00 0.00 C ATOM 0 H ALA A 8 6.698 0.724 -9.680 1.00 0.00 H new ATOM 0 HA ALA A 8 8.507 1.937 -11.457 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.024 3.965 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.542 3.058 -10.511 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.252 2.956 -8.882 1.00 0.00 H new ATOM 133 N CYS A 9 9.692 1.245 -8.486 1.00 0.00 N ATOM 134 CA CYS A 9 10.915 1.178 -7.694 1.00 0.00 C ATOM 135 C CYS A 9 12.027 0.478 -8.469 1.00 0.00 C ATOM 136 O CYS A 9 13.201 0.821 -8.334 1.00 0.00 O ATOM 137 CB CYS A 9 10.655 0.446 -6.377 1.00 0.00 C ATOM 138 SG CYS A 9 12.143 0.137 -5.398 1.00 0.00 S ATOM 0 H CYS A 9 8.887 0.789 -8.057 1.00 0.00 H new ATOM 0 HA CYS A 9 11.235 2.197 -7.477 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.956 1.032 -5.780 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.171 -0.506 -6.593 1.00 0.00 H new ATOM 0 HG CYS A 9 12.610 1.265 -4.951 1.00 0.00 H new ATOM 144 N GLN A 10 11.648 -0.505 -9.279 1.00 0.00 N ATOM 145 CA GLN A 10 12.614 -1.255 -10.073 1.00 0.00 C ATOM 146 C GLN A 10 13.278 -0.357 -11.112 1.00 0.00 C ATOM 147 O GLN A 10 14.496 -0.391 -11.288 1.00 0.00 O ATOM 148 CB GLN A 10 11.930 -2.436 -10.765 1.00 0.00 C ATOM 149 CG GLN A 10 11.992 -3.727 -9.965 1.00 0.00 C ATOM 150 CD GLN A 10 13.339 -4.415 -10.068 1.00 0.00 C ATOM 151 OE1 GLN A 10 14.131 -4.398 -9.126 1.00 0.00 O ATOM 152 NE2 GLN A 10 13.606 -5.025 -11.217 1.00 0.00 N ATOM 0 H GLN A 10 10.680 -0.801 -9.403 1.00 0.00 H new ATOM 0 HA GLN A 10 13.384 -1.633 -9.401 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.886 -2.183 -10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.397 -2.597 -11.737 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.778 -3.512 -8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.214 -4.405 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.920 -5.014 -11.972 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.497 -5.505 -11.345 1.00 0.00 H new ATOM 161 N TYR A 11 12.470 0.444 -11.797 1.00 0.00 N ATOM 162 CA TYR A 11 12.980 1.349 -12.821 1.00 0.00 C ATOM 163 C TYR A 11 13.793 2.477 -12.195 1.00 0.00 C ATOM 164 O TYR A 11 14.906 2.772 -12.632 1.00 0.00 O ATOM 165 CB TYR A 11 11.825 1.930 -13.638 1.00 0.00 C ATOM 166 CG TYR A 11 12.242 3.048 -14.566 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.270 2.868 -15.484 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.610 4.285 -14.525 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.655 3.887 -16.334 1.00 0.00 C ATOM 170 CE2 TYR A 11 11.988 5.308 -15.372 1.00 0.00 C ATOM 171 CZ TYR A 11 13.011 5.105 -16.274 1.00 0.00 C ATOM 172 OH TYR A 11 13.391 6.123 -17.119 1.00 0.00 O ATOM 0 H TYR A 11 11.460 0.485 -11.662 1.00 0.00 H new ATOM 0 HA TYR A 11 13.633 0.779 -13.482 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.369 1.133 -14.225 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.060 2.301 -12.956 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.776 1.915 -15.534 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.810 4.449 -13.819 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.456 3.731 -17.041 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.485 6.263 -15.328 1.00 0.00 H new ATOM 0 HH TYR A 11 13.734 5.743 -17.955 1.00 0.00 H new ATOM 182 N ILE A 12 13.229 3.104 -11.168 1.00 0.00 N ATOM 183 CA ILE A 12 13.902 4.199 -10.479 1.00 0.00 C ATOM 184 C ILE A 12 15.213 3.734 -9.856 1.00 0.00 C ATOM 185 O ILE A 12 16.221 4.440 -9.905 1.00 0.00 O ATOM 186 CB ILE A 12 13.010 4.804 -9.379 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.710 5.340 -9.983 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.753 5.909 -8.643 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.511 5.180 -9.074 1.00 0.00 C ATOM 0 H ILE A 12 12.308 2.873 -10.795 1.00 0.00 H new ATOM 0 HA ILE A 12 14.110 4.963 -11.228 1.00 0.00 H new ATOM 0 HB ILE A 12 12.760 4.021 -8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.837 6.396 -10.221 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.515 4.823 -10.923 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.110 6.327 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.653 5.499 -8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.029 6.694 -9.348 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.625 5.581 -9.566 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.358 4.123 -8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.685 5.720 -8.144 1.00 0.00 H new ATOM 201 N SER A 13 15.194 2.540 -9.272 1.00 0.00 N ATOM 202 CA SER A 13 16.382 1.980 -8.637 1.00 0.00 C ATOM 203 C SER A 13 17.539 1.896 -9.628 1.00 0.00 C ATOM 204 O SER A 13 18.677 2.229 -9.300 1.00 0.00 O ATOM 205 CB SER A 13 16.077 0.592 -8.072 1.00 0.00 C ATOM 206 OG SER A 13 17.266 -0.068 -7.672 1.00 0.00 O ATOM 0 H SER A 13 14.369 1.942 -9.225 1.00 0.00 H new ATOM 0 HA SER A 13 16.674 2.641 -7.820 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.403 0.683 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.561 -0.005 -8.824 1.00 0.00 H new ATOM 0 HG SER A 13 17.044 -0.952 -7.313 1.00 0.00 H new ATOM 212 N ASP A 14 17.238 1.448 -10.842 1.00 0.00 N ATOM 213 CA ASP A 14 18.251 1.320 -11.883 1.00 0.00 C ATOM 214 C ASP A 14 18.761 2.692 -12.317 1.00 0.00 C ATOM 215 O ASP A 14 19.857 2.814 -12.863 1.00 0.00 O ATOM 216 CB ASP A 14 17.684 0.569 -13.088 1.00 0.00 C ATOM 217 CG ASP A 14 17.880 -0.930 -12.980 1.00 0.00 C ATOM 218 OD1 ASP A 14 17.963 -1.438 -11.842 1.00 0.00 O ATOM 219 OD2 ASP A 14 17.950 -1.597 -14.034 1.00 0.00 O ATOM 0 H ASP A 14 16.300 1.167 -11.129 1.00 0.00 H new ATOM 0 HA ASP A 14 19.087 0.754 -11.473 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.620 0.788 -13.181 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.165 0.931 -13.997 1.00 0.00 H new ATOM 224 N HIS A 15 17.957 3.721 -12.070 1.00 0.00 N ATOM 225 CA HIS A 15 18.326 5.084 -12.435 1.00 0.00 C ATOM 226 C HIS A 15 18.824 5.857 -11.218 1.00 0.00 C ATOM 227 O HIS A 15 18.873 7.088 -11.228 1.00 0.00 O ATOM 228 CB HIS A 15 17.133 5.808 -13.061 1.00 0.00 C ATOM 229 CG HIS A 15 16.999 5.578 -14.535 1.00 0.00 C ATOM 230 ND1 HIS A 15 16.939 6.604 -15.454 1.00 0.00 N ATOM 231 CD2 HIS A 15 16.915 4.430 -15.248 1.00 0.00 C ATOM 232 CE1 HIS A 15 16.823 6.098 -16.669 1.00 0.00 C ATOM 233 NE2 HIS A 15 16.806 4.781 -16.571 1.00 0.00 N ATOM 0 H HIS A 15 17.046 3.637 -11.619 1.00 0.00 H new ATOM 0 HA HIS A 15 19.134 5.032 -13.165 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.219 5.480 -12.566 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.230 6.878 -12.876 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.931 3.426 -14.850 1.00 0.00 H new ATOM 0 HE1 HIS A 15 16.754 6.665 -17.586 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.725 4.130 -17.352 1.00 0.00 H new ATOM 241 N LEU A 16 19.191 5.128 -10.170 1.00 0.00 N ATOM 242 CA LEU A 16 19.685 5.746 -8.944 1.00 0.00 C ATOM 243 C LEU A 16 20.939 6.570 -9.215 1.00 0.00 C ATOM 244 O LEU A 16 21.192 7.572 -8.547 1.00 0.00 O ATOM 245 CB LEU A 16 19.982 4.674 -7.894 1.00 0.00 C ATOM 246 CG LEU A 16 20.241 5.179 -6.474 1.00 0.00 C ATOM 247 CD1 LEU A 16 19.553 4.283 -5.455 1.00 0.00 C ATOM 248 CD2 LEU A 16 21.736 5.252 -6.198 1.00 0.00 C ATOM 0 H LEU A 16 19.156 4.109 -10.144 1.00 0.00 H new ATOM 0 HA LEU A 16 18.911 6.413 -8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 16 19.142 3.981 -7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.853 4.105 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 16 19.825 6.183 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 16 19.748 4.658 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.479 4.281 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 16 19.938 3.267 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.901 5.613 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 16 22.175 4.260 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 16 22.204 5.935 -6.907 1.00 0.00 H new ATOM 260 N ALA A 17 21.720 6.142 -10.202 1.00 0.00 N ATOM 261 CA ALA A 17 22.945 6.842 -10.565 1.00 0.00 C ATOM 262 C ALA A 17 22.692 7.847 -11.684 1.00 0.00 C ATOM 263 O ALA A 17 23.465 8.787 -11.874 1.00 0.00 O ATOM 264 CB ALA A 17 24.019 5.847 -10.979 1.00 0.00 C ATOM 0 H ALA A 17 21.525 5.313 -10.764 1.00 0.00 H new ATOM 0 HA ALA A 17 23.293 7.392 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.929 6.384 -11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.228 5.171 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.671 5.272 -11.837 1.00 0.00 H new ATOM 270 N ASP A 18 21.607 7.642 -12.423 1.00 0.00 N ATOM 271 CA ASP A 18 21.252 8.531 -13.523 1.00 0.00 C ATOM 272 C ASP A 18 20.989 9.945 -13.016 1.00 0.00 C ATOM 273 O ASP A 18 20.567 10.138 -11.876 1.00 0.00 O ATOM 274 CB ASP A 18 20.020 8.001 -14.257 1.00 0.00 C ATOM 275 CG ASP A 18 20.376 7.002 -15.341 1.00 0.00 C ATOM 276 OD1 ASP A 18 20.659 5.834 -15.002 1.00 0.00 O ATOM 277 OD2 ASP A 18 20.371 7.389 -16.528 1.00 0.00 O ATOM 0 H ASP A 18 20.958 6.868 -12.280 1.00 0.00 H new ATOM 0 HA ASP A 18 22.092 8.564 -14.217 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.348 7.530 -13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.478 8.836 -14.701 1.00 0.00 H new ATOM 282 N SER A 19 21.241 10.931 -13.871 1.00 0.00 N ATOM 283 CA SER A 19 21.036 12.328 -13.508 1.00 0.00 C ATOM 284 C SER A 19 19.692 12.832 -14.025 1.00 0.00 C ATOM 285 O SER A 19 18.899 13.399 -13.274 1.00 0.00 O ATOM 286 CB SER A 19 22.167 13.194 -14.068 1.00 0.00 C ATOM 287 OG SER A 19 23.434 12.684 -13.691 1.00 0.00 O ATOM 0 H SER A 19 21.587 10.788 -14.820 1.00 0.00 H new ATOM 0 HA SER A 19 21.038 12.399 -12.420 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.096 13.232 -15.155 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.060 14.216 -13.705 1.00 0.00 H new ATOM 0 HG SER A 19 24.140 13.254 -14.062 1.00 0.00 H new ATOM 293 N ASN A 20 19.443 12.620 -15.313 1.00 0.00 N ATOM 294 CA ASN A 20 18.195 13.052 -15.931 1.00 0.00 C ATOM 295 C ASN A 20 17.058 12.093 -15.592 1.00 0.00 C ATOM 296 O ASN A 20 16.987 10.984 -16.123 1.00 0.00 O ATOM 297 CB ASN A 20 18.360 13.148 -17.449 1.00 0.00 C ATOM 298 CG ASN A 20 19.512 14.049 -17.850 1.00 0.00 C ATOM 299 OD1 ASN A 20 20.678 13.717 -17.637 1.00 0.00 O ATOM 300 ND2 ASN A 20 19.189 15.198 -18.433 1.00 0.00 N ATOM 0 H ASN A 20 20.089 12.152 -15.949 1.00 0.00 H new ATOM 0 HA ASN A 20 17.945 14.037 -15.536 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.523 12.151 -17.858 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.437 13.526 -17.889 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.921 15.846 -18.724 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.209 15.432 -18.590 1.00 0.00 H new ATOM 307 N PHE A 21 16.170 12.527 -14.703 1.00 0.00 N ATOM 308 CA PHE A 21 15.037 11.706 -14.292 1.00 0.00 C ATOM 309 C PHE A 21 13.725 12.301 -14.795 1.00 0.00 C ATOM 310 O PHE A 21 13.414 13.462 -14.528 1.00 0.00 O ATOM 311 CB PHE A 21 15.000 11.577 -12.768 1.00 0.00 C ATOM 312 CG PHE A 21 13.956 10.617 -12.273 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.791 9.381 -12.876 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.141 10.951 -11.203 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.830 8.497 -12.423 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.179 10.071 -10.745 1.00 0.00 C ATOM 317 CZ PHE A 21 12.024 8.841 -11.355 1.00 0.00 C ATOM 0 H PHE A 21 16.213 13.442 -14.254 1.00 0.00 H new ATOM 0 HA PHE A 21 15.159 10.716 -14.731 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.978 11.251 -12.415 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.815 12.559 -12.333 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.420 9.105 -13.709 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.259 11.910 -10.721 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.709 7.538 -12.904 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.549 10.344 -9.911 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.275 8.150 -10.998 1.00 0.00 H new ATOM 327 N ASP A 22 12.959 11.497 -15.525 1.00 0.00 N ATOM 328 CA ASP A 22 11.680 11.942 -16.065 1.00 0.00 C ATOM 329 C ASP A 22 10.528 11.143 -15.464 1.00 0.00 C ATOM 330 O ASP A 22 10.384 9.949 -15.727 1.00 0.00 O ATOM 331 CB ASP A 22 11.671 11.805 -17.589 1.00 0.00 C ATOM 332 CG ASP A 22 10.442 12.431 -18.219 1.00 0.00 C ATOM 333 OD1 ASP A 22 9.688 13.115 -17.495 1.00 0.00 O ATOM 334 OD2 ASP A 22 10.235 12.238 -19.435 1.00 0.00 O ATOM 0 H ASP A 22 13.202 10.534 -15.756 1.00 0.00 H new ATOM 0 HA ASP A 22 11.547 12.991 -15.801 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.565 12.275 -17.998 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.715 10.749 -17.856 1.00 0.00 H new ATOM 339 N ILE A 23 9.712 11.809 -14.654 1.00 0.00 N ATOM 340 CA ILE A 23 8.573 11.161 -14.016 1.00 0.00 C ATOM 341 C ILE A 23 7.669 10.496 -15.048 1.00 0.00 C ATOM 342 O ILE A 23 6.966 9.533 -14.743 1.00 0.00 O ATOM 343 CB ILE A 23 7.744 12.164 -13.192 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.700 11.426 -12.351 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.073 13.175 -14.110 1.00 0.00 C ATOM 346 CD1 ILE A 23 5.854 12.344 -11.497 1.00 0.00 C ATOM 0 H ILE A 23 9.819 12.797 -14.424 1.00 0.00 H new ATOM 0 HA ILE A 23 8.976 10.400 -13.348 1.00 0.00 H new ATOM 0 HB ILE A 23 8.413 12.700 -12.519 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.048 10.856 -13.013 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.206 10.707 -11.706 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.491 13.877 -13.514 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.834 13.718 -14.671 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.413 12.654 -14.804 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.136 11.753 -10.928 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.496 12.895 -10.810 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.320 13.046 -12.137 1.00 0.00 H new ATOM 358 N ALA A 24 7.694 11.016 -16.270 1.00 0.00 N ATOM 359 CA ALA A 24 6.879 10.471 -17.349 1.00 0.00 C ATOM 360 C ALA A 24 7.244 9.018 -17.632 1.00 0.00 C ATOM 361 O ALA A 24 6.369 8.176 -17.832 1.00 0.00 O ATOM 362 CB ALA A 24 7.038 11.312 -18.607 1.00 0.00 C ATOM 0 H ALA A 24 8.270 11.814 -16.538 1.00 0.00 H new ATOM 0 HA ALA A 24 5.836 10.502 -17.034 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.424 10.894 -19.404 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.721 12.335 -18.403 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.083 11.311 -18.916 1.00 0.00 H new ATOM 368 N SER A 25 8.542 8.731 -17.648 1.00 0.00 N ATOM 369 CA SER A 25 9.023 7.379 -17.911 1.00 0.00 C ATOM 370 C SER A 25 8.550 6.414 -16.828 1.00 0.00 C ATOM 371 O SER A 25 8.337 5.229 -17.086 1.00 0.00 O ATOM 372 CB SER A 25 10.550 7.365 -17.990 1.00 0.00 C ATOM 373 OG SER A 25 11.022 8.334 -18.911 1.00 0.00 O ATOM 0 H SER A 25 9.279 9.416 -17.482 1.00 0.00 H new ATOM 0 HA SER A 25 8.614 7.054 -18.867 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.970 7.561 -17.004 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.893 6.375 -18.291 1.00 0.00 H new ATOM 0 HG SER A 25 12.001 8.306 -18.942 1.00 0.00 H new ATOM 379 N VAL A 26 8.387 6.930 -15.614 1.00 0.00 N ATOM 380 CA VAL A 26 7.939 6.116 -14.490 1.00 0.00 C ATOM 381 C VAL A 26 6.476 5.716 -14.652 1.00 0.00 C ATOM 382 O VAL A 26 6.087 4.599 -14.310 1.00 0.00 O ATOM 383 CB VAL A 26 8.111 6.861 -13.153 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.637 5.996 -11.995 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.561 7.278 -12.959 1.00 0.00 C ATOM 0 H VAL A 26 8.559 7.909 -15.384 1.00 0.00 H new ATOM 0 HA VAL A 26 8.560 5.220 -14.480 1.00 0.00 H new ATOM 0 HB VAL A 26 7.498 7.762 -13.177 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.766 6.539 -11.059 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.583 5.752 -12.131 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.221 5.076 -11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.665 7.803 -12.009 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.197 6.393 -12.955 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.862 7.937 -13.773 1.00 0.00 H new ATOM 395 N ALA A 27 5.671 6.635 -15.175 1.00 0.00 N ATOM 396 CA ALA A 27 4.252 6.377 -15.384 1.00 0.00 C ATOM 397 C ALA A 27 4.039 5.320 -16.463 1.00 0.00 C ATOM 398 O ALA A 27 3.283 4.368 -16.271 1.00 0.00 O ATOM 399 CB ALA A 27 3.530 7.664 -15.754 1.00 0.00 C ATOM 0 H ALA A 27 5.978 7.565 -15.462 1.00 0.00 H new ATOM 0 HA ALA A 27 3.837 5.996 -14.451 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.471 7.456 -15.907 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.645 8.390 -14.949 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.956 8.070 -16.671 1.00 0.00 H new ATOM 405 N GLN A 28 4.711 5.495 -17.596 1.00 0.00 N ATOM 406 CA GLN A 28 4.593 4.556 -18.706 1.00 0.00 C ATOM 407 C GLN A 28 5.071 3.166 -18.296 1.00 0.00 C ATOM 408 O GLN A 28 4.503 2.156 -18.711 1.00 0.00 O ATOM 409 CB GLN A 28 5.399 5.051 -19.908 1.00 0.00 C ATOM 410 CG GLN A 28 6.872 5.269 -19.605 1.00 0.00 C ATOM 411 CD GLN A 28 7.636 5.823 -20.791 1.00 0.00 C ATOM 412 OE1 GLN A 28 7.695 7.036 -20.996 1.00 0.00 O ATOM 413 NE2 GLN A 28 8.228 4.935 -21.582 1.00 0.00 N ATOM 0 H GLN A 28 5.342 6.277 -17.770 1.00 0.00 H new ATOM 0 HA GLN A 28 3.541 4.491 -18.984 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.307 4.329 -20.719 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.968 5.987 -20.264 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.968 5.955 -18.763 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.320 4.324 -19.299 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.154 3.939 -21.376 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.757 5.249 -22.396 1.00 0.00 H new ATOM 422 N HIS A 29 6.118 3.123 -17.479 1.00 0.00 N ATOM 423 CA HIS A 29 6.672 1.857 -17.013 1.00 0.00 C ATOM 424 C HIS A 29 5.612 1.035 -16.286 1.00 0.00 C ATOM 425 O HIS A 29 5.601 -0.193 -16.367 1.00 0.00 O ATOM 426 CB HIS A 29 7.864 2.107 -16.087 1.00 0.00 C ATOM 427 CG HIS A 29 8.325 0.882 -15.361 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.351 -0.370 -15.937 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.783 0.722 -14.097 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.803 -1.248 -15.059 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.072 -0.611 -13.934 1.00 0.00 N ATOM 0 H HIS A 29 6.600 3.950 -17.126 1.00 0.00 H new ATOM 0 HA HIS A 29 7.009 1.294 -17.883 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.692 2.505 -16.674 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.593 2.871 -15.358 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.899 1.498 -13.355 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.931 -2.306 -15.232 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.435 -1.039 -13.082 1.00 0.00 H new ATOM 439 N VAL A 30 4.723 1.721 -15.575 1.00 0.00 N ATOM 440 CA VAL A 30 3.659 1.055 -14.834 1.00 0.00 C ATOM 441 C VAL A 30 2.356 1.051 -15.626 1.00 0.00 C ATOM 442 O VAL A 30 1.286 0.778 -15.081 1.00 0.00 O ATOM 443 CB VAL A 30 3.416 1.730 -13.471 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.680 1.699 -12.627 1.00 0.00 C ATOM 445 CG2 VAL A 30 2.929 3.158 -13.664 1.00 0.00 C ATOM 0 H VAL A 30 4.719 2.738 -15.497 1.00 0.00 H new ATOM 0 HA VAL A 30 3.984 0.028 -14.670 1.00 0.00 H new ATOM 0 HB VAL A 30 2.642 1.174 -12.942 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.489 2.180 -11.668 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.981 0.665 -12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.478 2.230 -13.147 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.762 3.620 -12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.679 3.727 -14.212 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.996 3.151 -14.227 1.00 0.00 H new ATOM 455 N CYS A 31 2.454 1.355 -16.916 1.00 0.00 N ATOM 456 CA CYS A 31 1.283 1.387 -17.785 1.00 0.00 C ATOM 457 C CYS A 31 0.181 2.252 -17.180 1.00 0.00 C ATOM 458 O CYS A 31 -1.005 1.941 -17.304 1.00 0.00 O ATOM 459 CB CYS A 31 0.761 -0.030 -18.026 1.00 0.00 C ATOM 460 SG CYS A 31 2.018 -1.189 -18.615 1.00 0.00 S ATOM 0 H CYS A 31 3.332 1.583 -17.383 1.00 0.00 H new ATOM 0 HA CYS A 31 1.581 1.823 -18.739 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.336 -0.412 -17.098 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.049 0.012 -18.754 1.00 0.00 H new ATOM 0 HG CYS A 31 1.481 -2.360 -18.787 1.00 0.00 H new ATOM 466 N LEU A 32 0.580 3.336 -16.525 1.00 0.00 N ATOM 467 CA LEU A 32 -0.374 4.245 -15.898 1.00 0.00 C ATOM 468 C LEU A 32 0.063 5.697 -16.071 1.00 0.00 C ATOM 469 O LEU A 32 1.238 5.977 -16.308 1.00 0.00 O ATOM 470 CB LEU A 32 -0.519 3.918 -14.411 1.00 0.00 C ATOM 471 CG LEU A 32 -1.872 4.249 -13.780 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.979 3.435 -14.433 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.837 3.998 -12.280 1.00 0.00 C ATOM 0 H LEU A 32 1.557 3.607 -16.414 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.339 4.114 -16.388 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.327 2.854 -14.273 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.256 4.455 -13.864 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.080 5.306 -13.946 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.934 3.684 -13.971 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.020 3.665 -15.498 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.777 2.372 -14.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.808 4.239 -11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.606 2.949 -12.092 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.071 4.625 -11.824 1.00 0.00 H new ATOM 485 N SER A 33 -0.890 6.615 -15.949 1.00 0.00 N ATOM 486 CA SER A 33 -0.603 8.038 -16.093 1.00 0.00 C ATOM 487 C SER A 33 0.219 8.548 -14.914 1.00 0.00 C ATOM 488 O SER A 33 0.240 7.955 -13.835 1.00 0.00 O ATOM 489 CB SER A 33 -1.906 8.833 -16.205 1.00 0.00 C ATOM 490 OG SER A 33 -2.997 7.983 -16.514 1.00 0.00 O ATOM 0 H SER A 33 -1.867 6.400 -15.751 1.00 0.00 H new ATOM 0 HA SER A 33 -0.022 8.177 -17.005 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.100 9.353 -15.267 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.805 9.596 -16.977 1.00 0.00 H new ATOM 0 HG SER A 33 -3.818 8.515 -16.578 1.00 0.00 H new ATOM 496 N PRO A 34 0.913 9.677 -15.122 1.00 0.00 N ATOM 497 CA PRO A 34 1.749 10.294 -14.089 1.00 0.00 C ATOM 498 C PRO A 34 0.923 10.895 -12.957 1.00 0.00 C ATOM 499 O PRO A 34 1.291 10.796 -11.786 1.00 0.00 O ATOM 500 CB PRO A 34 2.497 11.393 -14.847 1.00 0.00 C ATOM 501 CG PRO A 34 1.616 11.723 -16.003 1.00 0.00 C ATOM 502 CD PRO A 34 0.934 10.438 -16.383 1.00 0.00 C ATOM 0 HA PRO A 34 2.404 9.568 -13.608 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.665 12.265 -14.216 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.476 11.048 -15.181 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.887 12.487 -15.733 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.197 12.118 -16.836 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.072 10.614 -16.763 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.481 9.908 -17.163 1.00 0.00 H new ATOM 510 N SER A 35 -0.195 11.519 -13.313 1.00 0.00 N ATOM 511 CA SER A 35 -1.072 12.139 -12.327 1.00 0.00 C ATOM 512 C SER A 35 -1.735 11.083 -11.448 1.00 0.00 C ATOM 513 O SER A 35 -1.766 11.208 -10.224 1.00 0.00 O ATOM 514 CB SER A 35 -2.142 12.983 -13.024 1.00 0.00 C ATOM 515 OG SER A 35 -2.985 13.619 -12.079 1.00 0.00 O ATOM 0 H SER A 35 -0.515 11.609 -14.277 1.00 0.00 H new ATOM 0 HA SER A 35 -0.465 12.785 -11.693 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.664 13.734 -13.653 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.739 12.350 -13.680 1.00 0.00 H new ATOM 0 HG SER A 35 -3.659 14.153 -12.549 1.00 0.00 H new ATOM 521 N ARG A 36 -2.264 10.041 -12.083 1.00 0.00 N ATOM 522 CA ARG A 36 -2.927 8.963 -11.360 1.00 0.00 C ATOM 523 C ARG A 36 -1.921 8.154 -10.546 1.00 0.00 C ATOM 524 O ARG A 36 -2.193 7.768 -9.408 1.00 0.00 O ATOM 525 CB ARG A 36 -3.665 8.045 -12.336 1.00 0.00 C ATOM 526 CG ARG A 36 -4.450 6.936 -11.654 1.00 0.00 C ATOM 527 CD ARG A 36 -5.551 7.498 -10.767 1.00 0.00 C ATOM 528 NE ARG A 36 -6.396 8.451 -11.481 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.297 9.224 -10.886 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.469 9.158 -9.573 1.00 0.00 N ATOM 531 NH2 ARG A 36 -8.029 10.067 -11.604 1.00 0.00 N ATOM 0 H ARG A 36 -2.246 9.921 -13.096 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.648 9.409 -10.674 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.348 8.644 -12.939 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.942 7.600 -13.020 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.887 6.281 -12.408 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.774 6.326 -11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.165 6.680 -10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.105 7.987 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.288 8.527 -12.492 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.908 8.512 -9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.162 9.753 -9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.900 10.122 -12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.721 10.660 -11.145 1.00 0.00 H new ATOM 545 N LEU A 37 -0.758 7.902 -11.136 1.00 0.00 N ATOM 546 CA LEU A 37 0.290 7.139 -10.466 1.00 0.00 C ATOM 547 C LEU A 37 0.877 7.928 -9.300 1.00 0.00 C ATOM 548 O LEU A 37 1.083 7.388 -8.213 1.00 0.00 O ATOM 549 CB LEU A 37 1.395 6.773 -11.458 1.00 0.00 C ATOM 550 CG LEU A 37 2.662 6.164 -10.857 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.402 4.737 -10.398 1.00 0.00 C ATOM 552 CD2 LEU A 37 3.803 6.203 -11.863 1.00 0.00 C ATOM 0 H LEU A 37 -0.517 8.214 -12.076 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.155 6.224 -10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.986 6.069 -12.183 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.674 7.672 -12.008 1.00 0.00 H new ATOM 0 HG LEU A 37 2.950 6.757 -9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.315 4.319 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.616 4.735 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.088 4.132 -11.249 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.696 5.765 -11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.525 5.635 -12.751 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.006 7.237 -12.143 1.00 0.00 H new ATOM 564 N SER A 38 1.143 9.209 -9.534 1.00 0.00 N ATOM 565 CA SER A 38 1.708 10.072 -8.503 1.00 0.00 C ATOM 566 C SER A 38 0.785 10.148 -7.291 1.00 0.00 C ATOM 567 O SER A 38 1.242 10.156 -6.148 1.00 0.00 O ATOM 568 CB SER A 38 1.952 11.476 -9.062 1.00 0.00 C ATOM 569 OG SER A 38 3.058 11.488 -9.947 1.00 0.00 O ATOM 0 H SER A 38 0.977 9.672 -10.428 1.00 0.00 H new ATOM 0 HA SER A 38 2.659 9.644 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.060 11.823 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.131 12.171 -8.242 1.00 0.00 H new ATOM 0 HG SER A 38 2.758 11.247 -10.848 1.00 0.00 H new ATOM 575 N HIS A 39 -0.518 10.204 -7.550 1.00 0.00 N ATOM 576 CA HIS A 39 -1.507 10.279 -6.481 1.00 0.00 C ATOM 577 C HIS A 39 -1.406 9.066 -5.562 1.00 0.00 C ATOM 578 O HIS A 39 -1.361 9.203 -4.338 1.00 0.00 O ATOM 579 CB HIS A 39 -2.916 10.373 -7.067 1.00 0.00 C ATOM 580 CG HIS A 39 -3.983 10.572 -6.035 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.687 11.749 -5.896 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.465 9.733 -5.088 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.555 11.627 -4.908 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.441 10.413 -4.401 1.00 0.00 N ATOM 0 H HIS A 39 -0.913 10.199 -8.490 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.305 11.175 -5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.951 11.199 -7.777 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.129 9.462 -7.627 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.142 8.718 -4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.241 12.390 -4.572 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.989 10.041 -3.625 1.00 0.00 H new ATOM 592 N LEU A 40 -1.373 7.879 -6.158 1.00 0.00 N ATOM 593 CA LEU A 40 -1.278 6.641 -5.392 1.00 0.00 C ATOM 594 C LEU A 40 0.114 6.477 -4.791 1.00 0.00 C ATOM 595 O LEU A 40 0.274 5.899 -3.716 1.00 0.00 O ATOM 596 CB LEU A 40 -1.605 5.441 -6.283 1.00 0.00 C ATOM 597 CG LEU A 40 -2.899 5.538 -7.092 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.994 4.393 -8.087 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.107 5.544 -6.166 1.00 0.00 C ATOM 0 H LEU A 40 -1.411 7.748 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.001 6.690 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.777 5.292 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.659 4.552 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.888 6.475 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.921 4.479 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.146 4.434 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.983 3.444 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.019 5.614 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.123 4.624 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.045 6.399 -5.493 1.00 0.00 H new ATOM 611 N PHE A 41 1.120 6.992 -5.491 1.00 0.00 N ATOM 612 CA PHE A 41 2.499 6.904 -5.026 1.00 0.00 C ATOM 613 C PHE A 41 2.660 7.587 -3.671 1.00 0.00 C ATOM 614 O PHE A 41 3.212 7.008 -2.735 1.00 0.00 O ATOM 615 CB PHE A 41 3.445 7.541 -6.046 1.00 0.00 C ATOM 616 CG PHE A 41 4.689 6.737 -6.294 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.810 6.908 -5.497 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.738 5.811 -7.322 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.957 6.170 -5.723 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.882 5.069 -7.553 1.00 0.00 C ATOM 621 CZ PHE A 41 6.992 5.249 -6.751 1.00 0.00 C ATOM 0 H PHE A 41 1.006 7.475 -6.382 1.00 0.00 H new ATOM 0 HA PHE A 41 2.752 5.850 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.914 7.674 -6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.728 8.534 -5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.787 7.626 -4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.872 5.666 -7.951 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.825 6.314 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.907 4.350 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.886 4.670 -6.928 1.00 0.00 H new ATOM 631 N ARG A 42 2.176 8.821 -3.575 1.00 0.00 N ATOM 632 CA ARG A 42 2.267 9.583 -2.336 1.00 0.00 C ATOM 633 C ARG A 42 1.374 8.977 -1.257 1.00 0.00 C ATOM 634 O ARG A 42 1.629 9.140 -0.064 1.00 0.00 O ATOM 635 CB ARG A 42 1.873 11.041 -2.579 1.00 0.00 C ATOM 636 CG ARG A 42 3.022 11.909 -3.067 1.00 0.00 C ATOM 637 CD ARG A 42 2.618 12.739 -4.275 1.00 0.00 C ATOM 638 NE ARG A 42 2.176 14.079 -3.897 1.00 0.00 N ATOM 639 CZ ARG A 42 1.838 15.017 -4.775 1.00 0.00 C ATOM 640 NH1 ARG A 42 1.892 14.763 -6.075 1.00 0.00 N ATOM 641 NH2 ARG A 42 1.445 16.212 -4.353 1.00 0.00 N ATOM 0 H ARG A 42 1.717 9.314 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 42 3.300 9.545 -1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.067 11.073 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.479 11.461 -1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.348 12.569 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.872 11.278 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.462 12.816 -4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.817 12.231 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 42 2.124 14.307 -2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.194 13.846 -6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.632 15.485 -6.747 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.402 16.411 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.186 16.931 -5.028 1.00 0.00 H new ATOM 655 N GLN A 43 0.328 8.278 -1.686 1.00 0.00 N ATOM 656 CA GLN A 43 -0.603 7.649 -0.757 1.00 0.00 C ATOM 657 C GLN A 43 -0.019 6.359 -0.191 1.00 0.00 C ATOM 658 O GLN A 43 -0.163 6.071 0.997 1.00 0.00 O ATOM 659 CB GLN A 43 -1.933 7.358 -1.453 1.00 0.00 C ATOM 660 CG GLN A 43 -3.058 7.007 -0.493 1.00 0.00 C ATOM 661 CD GLN A 43 -3.738 8.233 0.084 1.00 0.00 C ATOM 662 OE1 GLN A 43 -4.689 8.759 -0.494 1.00 0.00 O ATOM 663 NE2 GLN A 43 -3.252 8.695 1.230 1.00 0.00 N ATOM 0 H GLN A 43 0.104 8.133 -2.671 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.776 8.340 0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.225 8.229 -2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.794 6.535 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.797 6.397 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.660 6.400 0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.462 8.227 1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.669 9.518 1.666 1.00 0.00 H new ATOM 672 N GLN A 44 0.640 5.587 -1.049 1.00 0.00 N ATOM 673 CA GLN A 44 1.245 4.327 -0.634 1.00 0.00 C ATOM 674 C GLN A 44 2.598 4.565 0.028 1.00 0.00 C ATOM 675 O GLN A 44 2.943 3.910 1.013 1.00 0.00 O ATOM 676 CB GLN A 44 1.408 3.395 -1.836 1.00 0.00 C ATOM 677 CG GLN A 44 0.091 2.994 -2.479 1.00 0.00 C ATOM 678 CD GLN A 44 -0.614 1.885 -1.723 1.00 0.00 C ATOM 679 OE1 GLN A 44 0.019 1.099 -1.018 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.933 1.816 -1.866 1.00 0.00 N ATOM 0 H GLN A 44 0.769 5.812 -2.036 1.00 0.00 H new ATOM 0 HA GLN A 44 0.583 3.857 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.033 3.885 -2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.936 2.496 -1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.563 3.865 -2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.275 2.670 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.417 2.488 -2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.461 1.091 -1.381 1.00 0.00 H new ATOM 689 N LEU A 45 3.362 5.504 -0.519 1.00 0.00 N ATOM 690 CA LEU A 45 4.679 5.828 0.018 1.00 0.00 C ATOM 691 C LEU A 45 4.577 6.899 1.100 1.00 0.00 C ATOM 692 O LEU A 45 5.502 7.089 1.889 1.00 0.00 O ATOM 693 CB LEU A 45 5.605 6.306 -1.102 1.00 0.00 C ATOM 694 CG LEU A 45 6.968 5.617 -1.185 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.551 5.754 -2.583 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.921 6.194 -0.148 1.00 0.00 C ATOM 0 H LEU A 45 3.092 6.054 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 45 5.095 4.924 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.092 6.169 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.768 7.377 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 45 6.832 4.557 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.521 5.258 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.877 5.293 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.673 6.810 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.886 5.692 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.052 7.261 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.508 6.043 0.849 1.00 0.00 H new ATOM 708 N GLY A 46 3.444 7.595 1.132 1.00 0.00 N ATOM 709 CA GLY A 46 3.241 8.636 2.123 1.00 0.00 C ATOM 710 C GLY A 46 4.150 9.829 1.904 1.00 0.00 C ATOM 711 O GLY A 46 4.213 10.731 2.740 1.00 0.00 O ATOM 0 H GLY A 46 2.664 7.456 0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.202 8.964 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.417 8.226 3.118 1.00 0.00 H new ATOM 715 N ILE A 47 4.857 9.834 0.779 1.00 0.00 N ATOM 716 CA ILE A 47 5.767 10.925 0.454 1.00 0.00 C ATOM 717 C ILE A 47 5.865 11.129 -1.054 1.00 0.00 C ATOM 718 O ILE A 47 5.323 10.345 -1.833 1.00 0.00 O ATOM 719 CB ILE A 47 7.177 10.669 1.018 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.836 9.496 0.289 1.00 0.00 C ATOM 721 CG2 ILE A 47 7.108 10.399 2.514 1.00 0.00 C ATOM 722 CD1 ILE A 47 9.225 9.174 0.796 1.00 0.00 C ATOM 0 H ILE A 47 4.817 9.095 0.077 1.00 0.00 H new ATOM 0 HA ILE A 47 5.358 11.824 0.914 1.00 0.00 H new ATOM 0 HB ILE A 47 7.784 11.560 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.206 8.613 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.890 9.724 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.112 10.220 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.675 11.262 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.488 9.522 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.631 8.333 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.870 10.043 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.175 8.914 1.853 1.00 0.00 H new ATOM 734 N SER A 48 6.561 12.186 -1.459 1.00 0.00 N ATOM 735 CA SER A 48 6.728 12.495 -2.875 1.00 0.00 C ATOM 736 C SER A 48 7.776 11.586 -3.509 1.00 0.00 C ATOM 737 O SER A 48 8.745 11.189 -2.860 1.00 0.00 O ATOM 738 CB SER A 48 7.131 13.960 -3.055 1.00 0.00 C ATOM 739 OG SER A 48 6.003 14.813 -2.969 1.00 0.00 O ATOM 0 H SER A 48 7.019 12.843 -0.827 1.00 0.00 H new ATOM 0 HA SER A 48 5.774 12.324 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.859 14.237 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.617 14.091 -4.022 1.00 0.00 H new ATOM 0 HG SER A 48 6.287 15.744 -3.085 1.00 0.00 H new ATOM 745 N VAL A 49 7.575 11.259 -4.781 1.00 0.00 N ATOM 746 CA VAL A 49 8.502 10.397 -5.505 1.00 0.00 C ATOM 747 C VAL A 49 9.927 10.934 -5.426 1.00 0.00 C ATOM 748 O VAL A 49 10.876 10.180 -5.208 1.00 0.00 O ATOM 749 CB VAL A 49 8.099 10.257 -6.985 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.984 9.237 -7.685 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.632 9.873 -7.103 1.00 0.00 C ATOM 0 H VAL A 49 6.778 11.578 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 49 8.459 9.417 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 49 8.239 11.221 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.685 9.151 -8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.024 9.559 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.879 8.268 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.364 9.778 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.463 8.922 -6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.016 10.644 -6.640 1.00 0.00 H new ATOM 761 N LEU A 50 10.071 12.243 -5.605 1.00 0.00 N ATOM 762 CA LEU A 50 11.381 12.883 -5.553 1.00 0.00 C ATOM 763 C LEU A 50 12.016 12.712 -4.177 1.00 0.00 C ATOM 764 O LEU A 50 13.235 12.590 -4.057 1.00 0.00 O ATOM 765 CB LEU A 50 11.257 14.370 -5.890 1.00 0.00 C ATOM 766 CG LEU A 50 12.447 14.994 -6.619 1.00 0.00 C ATOM 767 CD1 LEU A 50 13.702 14.910 -5.764 1.00 0.00 C ATOM 768 CD2 LEU A 50 12.668 14.311 -7.961 1.00 0.00 C ATOM 0 H LEU A 50 9.297 12.882 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 50 12.023 12.402 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.367 14.510 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.095 14.920 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 50 12.226 16.046 -6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 50 14.538 15.359 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.541 15.445 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.927 13.865 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.519 14.768 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.867 13.251 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.776 14.424 -8.578 1.00 0.00 H new ATOM 780 N SER A 51 11.182 12.702 -3.143 1.00 0.00 N ATOM 781 CA SER A 51 11.663 12.548 -1.775 1.00 0.00 C ATOM 782 C SER A 51 12.115 11.114 -1.516 1.00 0.00 C ATOM 783 O SER A 51 13.169 10.881 -0.924 1.00 0.00 O ATOM 784 CB SER A 51 10.567 12.936 -0.780 1.00 0.00 C ATOM 785 OG SER A 51 10.387 14.341 -0.742 1.00 0.00 O ATOM 0 H SER A 51 10.170 12.799 -3.226 1.00 0.00 H new ATOM 0 HA SER A 51 12.518 13.210 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.630 12.454 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.828 12.573 0.214 1.00 0.00 H new ATOM 0 HG SER A 51 9.680 14.563 -0.100 1.00 0.00 H new ATOM 791 N TRP A 52 11.311 10.157 -1.965 1.00 0.00 N ATOM 792 CA TRP A 52 11.628 8.745 -1.783 1.00 0.00 C ATOM 793 C TRP A 52 12.967 8.400 -2.426 1.00 0.00 C ATOM 794 O TRP A 52 13.770 7.664 -1.852 1.00 0.00 O ATOM 795 CB TRP A 52 10.522 7.872 -2.379 1.00 0.00 C ATOM 796 CG TRP A 52 10.863 6.413 -2.400 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.861 5.555 -1.337 1.00 0.00 C ATOM 798 CD2 TRP A 52 11.259 5.641 -3.539 1.00 0.00 C ATOM 799 NE1 TRP A 52 11.231 4.297 -1.747 1.00 0.00 N ATOM 800 CE2 TRP A 52 11.480 4.323 -3.093 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.446 5.934 -4.892 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.879 3.304 -3.954 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.843 4.922 -5.745 1.00 0.00 C ATOM 804 CH2 TRP A 52 12.055 3.619 -5.273 1.00 0.00 C ATOM 0 H TRP A 52 10.435 10.333 -2.457 1.00 0.00 H new ATOM 0 HA TRP A 52 11.699 8.549 -0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.607 8.016 -1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.315 8.204 -3.396 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.606 5.826 -0.323 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.308 3.477 -1.146 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.283 6.934 -5.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.044 2.300 -3.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.992 5.138 -6.793 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.363 2.849 -5.965 1.00 0.00 H new ATOM 815 N ARG A 53 13.201 8.936 -3.619 1.00 0.00 N ATOM 816 CA ARG A 53 14.443 8.683 -4.339 1.00 0.00 C ATOM 817 C ARG A 53 15.650 9.117 -3.511 1.00 0.00 C ATOM 818 O ARG A 53 16.624 8.377 -3.383 1.00 0.00 O ATOM 819 CB ARG A 53 14.440 9.421 -5.680 1.00 0.00 C ATOM 820 CG ARG A 53 15.683 9.169 -6.517 1.00 0.00 C ATOM 821 CD ARG A 53 15.972 10.335 -7.449 1.00 0.00 C ATOM 822 NE ARG A 53 16.611 9.899 -8.688 1.00 0.00 N ATOM 823 CZ ARG A 53 15.992 9.187 -9.623 1.00 0.00 C ATOM 824 NH1 ARG A 53 14.725 8.833 -9.461 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.641 8.829 -10.724 1.00 0.00 N ATOM 0 H ARG A 53 12.547 9.548 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 53 14.515 7.611 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.561 9.118 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.347 10.491 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.538 9.006 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.551 8.258 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.041 10.851 -7.683 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.616 11.053 -6.942 1.00 0.00 H new ATOM 0 HE ARG A 53 17.586 10.155 -8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.223 9.107 -8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.252 8.286 -10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.616 9.101 -10.853 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.165 8.282 -11.442 1.00 0.00 H new ATOM 839 N GLU A 54 15.575 10.321 -2.953 1.00 0.00 N ATOM 840 CA GLU A 54 16.662 10.853 -2.139 1.00 0.00 C ATOM 841 C GLU A 54 16.830 10.041 -0.858 1.00 0.00 C ATOM 842 O GLU A 54 17.950 9.783 -0.416 1.00 0.00 O ATOM 843 CB GLU A 54 16.400 12.320 -1.794 1.00 0.00 C ATOM 844 CG GLU A 54 16.850 13.289 -2.876 1.00 0.00 C ATOM 845 CD GLU A 54 16.789 14.735 -2.425 1.00 0.00 C ATOM 846 OE1 GLU A 54 16.352 14.982 -1.282 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.179 15.620 -3.215 1.00 0.00 O ATOM 0 H GLU A 54 14.774 10.946 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 54 17.583 10.782 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.334 12.458 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.913 12.563 -0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.871 13.048 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.222 13.160 -3.758 1.00 0.00 H new ATOM 854 N ASP A 55 15.709 9.642 -0.266 1.00 0.00 N ATOM 855 CA ASP A 55 15.731 8.859 0.964 1.00 0.00 C ATOM 856 C ASP A 55 16.324 7.475 0.717 1.00 0.00 C ATOM 857 O ASP A 55 17.008 6.921 1.577 1.00 0.00 O ATOM 858 CB ASP A 55 14.318 8.727 1.535 1.00 0.00 C ATOM 859 CG ASP A 55 14.313 8.594 3.045 1.00 0.00 C ATOM 860 OD1 ASP A 55 14.557 7.475 3.543 1.00 0.00 O ATOM 861 OD2 ASP A 55 14.068 9.610 3.728 1.00 0.00 O ATOM 0 H ASP A 55 14.774 9.848 -0.618 1.00 0.00 H new ATOM 0 HA ASP A 55 16.359 9.380 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.731 9.599 1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.832 7.856 1.095 1.00 0.00 H new ATOM 866 N GLN A 56 16.057 6.924 -0.463 1.00 0.00 N ATOM 867 CA GLN A 56 16.564 5.605 -0.821 1.00 0.00 C ATOM 868 C GLN A 56 18.082 5.626 -0.969 1.00 0.00 C ATOM 869 O GLN A 56 18.776 4.741 -0.468 1.00 0.00 O ATOM 870 CB GLN A 56 15.920 5.124 -2.123 1.00 0.00 C ATOM 871 CG GLN A 56 14.637 4.337 -1.912 1.00 0.00 C ATOM 872 CD GLN A 56 14.894 2.904 -1.489 1.00 0.00 C ATOM 873 OE1 GLN A 56 14.536 2.497 -0.383 1.00 0.00 O ATOM 874 NE2 GLN A 56 15.519 2.130 -2.368 1.00 0.00 N ATOM 0 H GLN A 56 15.493 7.370 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 56 16.305 4.914 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.708 5.987 -2.754 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.633 4.502 -2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.032 4.833 -1.153 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.057 4.341 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.798 2.508 -3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.720 1.157 -2.138 1.00 0.00 H new ATOM 883 N ARG A 57 18.590 6.642 -1.658 1.00 0.00 N ATOM 884 CA ARG A 57 20.026 6.777 -1.873 1.00 0.00 C ATOM 885 C ARG A 57 20.736 7.159 -0.577 1.00 0.00 C ATOM 886 O ARG A 57 21.793 6.617 -0.254 1.00 0.00 O ATOM 887 CB ARG A 57 20.305 7.828 -2.949 1.00 0.00 C ATOM 888 CG ARG A 57 19.688 9.184 -2.651 1.00 0.00 C ATOM 889 CD ARG A 57 19.885 10.152 -3.807 1.00 0.00 C ATOM 890 NE ARG A 57 19.500 9.563 -5.086 1.00 0.00 N ATOM 891 CZ ARG A 57 19.806 10.098 -6.263 1.00 0.00 C ATOM 892 NH1 ARG A 57 20.497 11.228 -6.323 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.420 9.501 -7.384 1.00 0.00 N ATOM 0 H ARG A 57 18.029 7.384 -2.077 1.00 0.00 H new ATOM 0 HA ARG A 57 20.411 5.813 -2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 57 21.383 7.945 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 57 19.924 7.467 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 57 18.623 9.065 -2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 57 20.136 9.598 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 57 19.296 11.052 -3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 57 20.930 10.458 -3.849 1.00 0.00 H new ATOM 0 HE ARG A 57 18.967 8.693 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 57 20.796 11.689 -5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 57 20.730 11.636 -7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 57 18.888 8.631 -7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.655 9.912 -8.288 1.00 0.00 H new ATOM 907 N ILE A 58 20.147 8.095 0.160 1.00 0.00 N ATOM 908 CA ILE A 58 20.723 8.549 1.419 1.00 0.00 C ATOM 909 C ILE A 58 20.734 7.428 2.454 1.00 0.00 C ATOM 910 O ILE A 58 21.712 7.248 3.179 1.00 0.00 O ATOM 911 CB ILE A 58 19.950 9.752 1.991 1.00 0.00 C ATOM 912 CG1 ILE A 58 20.175 10.990 1.119 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.378 10.023 3.425 1.00 0.00 C ATOM 914 CD1 ILE A 58 21.593 11.514 1.168 1.00 0.00 C ATOM 0 H ILE A 58 19.272 8.553 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 58 21.747 8.854 1.205 1.00 0.00 H new ATOM 0 HB ILE A 58 18.886 9.517 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.921 10.748 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.494 11.778 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.823 10.876 3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.173 9.145 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.445 10.242 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.679 12.391 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.845 11.787 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 58 22.279 10.741 0.820 1.00 0.00 H new ATOM 926 N SER A 59 19.639 6.677 2.515 1.00 0.00 N ATOM 927 CA SER A 59 19.521 5.574 3.463 1.00 0.00 C ATOM 928 C SER A 59 20.437 4.420 3.069 1.00 0.00 C ATOM 929 O SER A 59 20.943 3.695 3.926 1.00 0.00 O ATOM 930 CB SER A 59 18.072 5.089 3.534 1.00 0.00 C ATOM 931 OG SER A 59 17.917 4.091 4.529 1.00 0.00 O ATOM 0 H SER A 59 18.821 6.812 1.920 1.00 0.00 H new ATOM 0 HA SER A 59 19.824 5.936 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.414 5.930 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.770 4.691 2.565 1.00 0.00 H new ATOM 0 HG SER A 59 16.982 3.798 4.556 1.00 0.00 H new ATOM 937 N GLN A 60 20.646 4.255 1.767 1.00 0.00 N ATOM 938 CA GLN A 60 21.501 3.189 1.259 1.00 0.00 C ATOM 939 C GLN A 60 22.966 3.468 1.576 1.00 0.00 C ATOM 940 O GLN A 60 23.725 2.556 1.905 1.00 0.00 O ATOM 941 CB GLN A 60 21.314 3.032 -0.251 1.00 0.00 C ATOM 942 CG GLN A 60 22.017 1.814 -0.828 1.00 0.00 C ATOM 943 CD GLN A 60 21.691 0.540 -0.073 1.00 0.00 C ATOM 944 OE1 GLN A 60 20.716 -0.146 -0.381 1.00 0.00 O ATOM 945 NE2 GLN A 60 22.508 0.216 0.923 1.00 0.00 N ATOM 0 H GLN A 60 20.235 4.846 1.045 1.00 0.00 H new ATOM 0 HA GLN A 60 21.213 2.261 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.249 2.965 -0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.687 3.927 -0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.731 1.696 -1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.094 1.978 -0.808 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.305 0.814 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.339 -0.630 1.467 1.00 0.00 H new ATOM 954 N ALA A 61 23.358 4.734 1.474 1.00 0.00 N ATOM 955 CA ALA A 61 24.732 5.133 1.751 1.00 0.00 C ATOM 956 C ALA A 61 25.060 4.979 3.232 1.00 0.00 C ATOM 957 O ALA A 61 26.111 4.448 3.594 1.00 0.00 O ATOM 958 CB ALA A 61 24.965 6.568 1.304 1.00 0.00 C ATOM 0 H ALA A 61 22.743 5.501 1.201 1.00 0.00 H new ATOM 0 HA ALA A 61 25.395 4.476 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.995 6.853 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.780 6.650 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 61 24.287 7.231 1.841 1.00 0.00 H new ATOM 964 N LYS A 62 24.156 5.446 4.086 1.00 0.00 N ATOM 965 CA LYS A 62 24.348 5.360 5.529 1.00 0.00 C ATOM 966 C LYS A 62 24.197 3.922 6.013 1.00 0.00 C ATOM 967 O LYS A 62 24.856 3.504 6.967 1.00 0.00 O ATOM 968 CB LYS A 62 23.344 6.261 6.252 1.00 0.00 C ATOM 969 CG LYS A 62 21.918 5.739 6.210 1.00 0.00 C ATOM 970 CD LYS A 62 20.932 6.772 6.728 1.00 0.00 C ATOM 971 CE LYS A 62 21.163 7.075 8.201 1.00 0.00 C ATOM 972 NZ LYS A 62 20.922 5.880 9.057 1.00 0.00 N ATOM 0 H LYS A 62 23.282 5.889 3.803 1.00 0.00 H new ATOM 0 HA LYS A 62 25.359 5.697 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.651 6.372 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 62 23.372 7.254 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.659 5.468 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.844 4.831 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 62 21.027 7.690 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.914 6.408 6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.186 7.424 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.503 7.885 8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.855 6.174 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.033 5.422 8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.709 5.209 8.946 1.00 0.00 H new ATOM 986 N LEU A 63 23.328 3.167 5.350 1.00 0.00 N ATOM 987 CA LEU A 63 23.092 1.774 5.712 1.00 0.00 C ATOM 988 C LEU A 63 24.385 0.967 5.646 1.00 0.00 C ATOM 989 O LEU A 63 24.742 0.268 6.594 1.00 0.00 O ATOM 990 CB LEU A 63 22.044 1.156 4.784 1.00 0.00 C ATOM 991 CG LEU A 63 21.825 -0.351 4.928 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.361 -0.701 4.710 1.00 0.00 C ATOM 993 CD2 LEU A 63 22.709 -1.113 3.951 1.00 0.00 C ATOM 0 H LEU A 63 22.775 3.496 4.559 1.00 0.00 H new ATOM 0 HA LEU A 63 22.722 1.749 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.093 1.659 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.332 1.364 3.754 1.00 0.00 H new ATOM 0 HG LEU A 63 22.100 -0.644 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.224 -1.777 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.749 -0.183 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.059 -0.394 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 63 22.541 -2.184 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.465 -0.816 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 63 23.756 -0.886 4.154 1.00 0.00 H new ATOM 1005 N LEU A 64 25.084 1.072 4.521 1.00 0.00 N ATOM 1006 CA LEU A 64 26.340 0.354 4.332 1.00 0.00 C ATOM 1007 C LEU A 64 27.439 0.939 5.212 1.00 0.00 C ATOM 1008 O LEU A 64 28.284 0.210 5.735 1.00 0.00 O ATOM 1009 CB LEU A 64 26.764 0.408 2.863 1.00 0.00 C ATOM 1010 CG LEU A 64 27.464 1.691 2.413 1.00 0.00 C ATOM 1011 CD1 LEU A 64 28.966 1.580 2.621 1.00 0.00 C ATOM 1012 CD2 LEU A 64 27.146 1.989 0.955 1.00 0.00 C ATOM 0 H LEU A 64 24.803 1.647 3.727 1.00 0.00 H new ATOM 0 HA LEU A 64 26.184 -0.685 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.429 -0.433 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.878 0.265 2.244 1.00 0.00 H new ATOM 0 HG LEU A 64 27.094 2.517 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 64 29.448 2.502 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 64 29.176 1.415 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 64 29.353 0.743 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 64 27.653 2.905 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 64 27.488 1.163 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 64 26.070 2.113 0.835 1.00 0.00 H new ATOM 1024 N LEU A 65 27.422 2.257 5.374 1.00 0.00 N ATOM 1025 CA LEU A 65 28.416 2.940 6.194 1.00 0.00 C ATOM 1026 C LEU A 65 28.442 2.369 7.608 1.00 0.00 C ATOM 1027 O LEU A 65 29.476 2.387 8.277 1.00 0.00 O ATOM 1028 CB LEU A 65 28.122 4.441 6.244 1.00 0.00 C ATOM 1029 CG LEU A 65 29.337 5.366 6.185 1.00 0.00 C ATOM 1030 CD1 LEU A 65 29.013 6.623 5.393 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.805 5.722 7.588 1.00 0.00 C ATOM 0 H LEU A 65 26.731 2.874 4.948 1.00 0.00 H new ATOM 0 HA LEU A 65 29.394 2.782 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 65 27.461 4.689 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 65 27.574 4.653 7.162 1.00 0.00 H new ATOM 0 HG LEU A 65 30.146 4.840 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.890 7.270 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 65 28.727 6.350 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.189 7.152 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.671 6.381 7.526 1.00 0.00 H new ATOM 0 HD22 LEU A 65 29.001 6.228 8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.079 4.812 8.122 1.00 0.00 H new ATOM 1043 N SER A 66 27.299 1.860 8.056 1.00 0.00 N ATOM 1044 CA SER A 66 27.190 1.284 9.391 1.00 0.00 C ATOM 1045 C SER A 66 27.922 -0.053 9.468 1.00 0.00 C ATOM 1046 O SER A 66 28.458 -0.423 10.513 1.00 0.00 O ATOM 1047 CB SER A 66 25.720 1.096 9.771 1.00 0.00 C ATOM 1048 OG SER A 66 25.562 0.026 10.687 1.00 0.00 O ATOM 0 H SER A 66 26.435 1.835 7.514 1.00 0.00 H new ATOM 0 HA SER A 66 27.654 1.974 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.335 2.016 10.211 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.132 0.901 8.874 1.00 0.00 H new ATOM 0 HG SER A 66 24.614 -0.072 10.915 1.00 0.00 H new ATOM 1054 N THR A 67 27.939 -0.775 8.351 1.00 0.00 N ATOM 1055 CA THR A 67 28.603 -2.071 8.290 1.00 0.00 C ATOM 1056 C THR A 67 29.948 -1.967 7.580 1.00 0.00 C ATOM 1057 O THR A 67 30.611 -2.975 7.331 1.00 0.00 O ATOM 1058 CB THR A 67 27.732 -3.115 7.566 1.00 0.00 C ATOM 1059 OG1 THR A 67 28.423 -4.367 7.496 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.381 -2.646 6.162 1.00 0.00 C ATOM 0 H THR A 67 27.501 -0.484 7.477 1.00 0.00 H new ATOM 0 HA THR A 67 28.763 -2.393 9.319 1.00 0.00 H new ATOM 0 HB THR A 67 26.809 -3.241 8.132 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.386 -4.205 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.766 -3.399 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.829 -1.708 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.296 -2.495 5.590 1.00 0.00 H new ATOM 1068 N THR A 68 30.348 -0.741 7.256 1.00 0.00 N ATOM 1069 CA THR A 68 31.614 -0.506 6.574 1.00 0.00 C ATOM 1070 C THR A 68 32.390 0.629 7.233 1.00 0.00 C ATOM 1071 O THR A 68 31.853 1.360 8.065 1.00 0.00 O ATOM 1072 CB THR A 68 31.397 -0.169 5.087 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.724 1.089 4.963 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.584 -1.255 4.399 1.00 0.00 C ATOM 0 H THR A 68 29.813 0.104 7.455 1.00 0.00 H new ATOM 0 HA THR A 68 32.190 -1.428 6.649 1.00 0.00 H new ATOM 0 HB THR A 68 32.373 -0.108 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.785 0.985 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.444 -0.995 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 68 31.113 -2.205 4.470 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.612 -1.344 4.884 1.00 0.00 H new ATOM 1082 N ARG A 69 33.656 0.771 6.855 1.00 0.00 N ATOM 1083 CA ARG A 69 34.507 1.817 7.409 1.00 0.00 C ATOM 1084 C ARG A 69 35.059 2.713 6.304 1.00 0.00 C ATOM 1085 O ARG A 69 36.039 3.429 6.504 1.00 0.00 O ATOM 1086 CB ARG A 69 35.659 1.200 8.203 1.00 0.00 C ATOM 1087 CG ARG A 69 36.353 0.057 7.481 1.00 0.00 C ATOM 1088 CD ARG A 69 35.732 -1.285 7.834 1.00 0.00 C ATOM 1089 NE ARG A 69 36.386 -1.906 8.983 1.00 0.00 N ATOM 1090 CZ ARG A 69 37.575 -2.496 8.920 1.00 0.00 C ATOM 1091 NH1 ARG A 69 38.235 -2.545 7.772 1.00 0.00 N ATOM 1092 NH2 ARG A 69 38.105 -3.039 10.009 1.00 0.00 N ATOM 0 H ARG A 69 34.115 0.174 6.167 1.00 0.00 H new ATOM 0 HA ARG A 69 33.900 2.427 8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.392 1.976 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.278 0.837 9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.292 0.215 6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 69 37.411 0.049 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 69 34.672 -1.148 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 69 35.798 -1.952 6.975 1.00 0.00 H new ATOM 0 HE ARG A 69 35.904 -1.886 9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 69 37.831 -2.129 6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 69 39.147 -2.999 7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 69 37.600 -3.003 10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 69 39.018 -3.492 9.961 1.00 0.00 H new ATOM 1106 N MET A 70 34.423 2.665 5.138 1.00 0.00 N ATOM 1107 CA MET A 70 34.850 3.472 4.001 1.00 0.00 C ATOM 1108 C MET A 70 34.597 4.954 4.261 1.00 0.00 C ATOM 1109 O MET A 70 33.711 5.332 5.027 1.00 0.00 O ATOM 1110 CB MET A 70 34.117 3.033 2.732 1.00 0.00 C ATOM 1111 CG MET A 70 34.275 1.553 2.421 1.00 0.00 C ATOM 1112 SD MET A 70 33.667 1.120 0.779 1.00 0.00 S ATOM 1113 CE MET A 70 31.897 1.156 1.054 1.00 0.00 C ATOM 0 H MET A 70 33.610 2.076 4.956 1.00 0.00 H new ATOM 0 HA MET A 70 35.921 3.322 3.863 1.00 0.00 H new ATOM 0 HB2 MET A 70 33.057 3.263 2.837 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.488 3.615 1.888 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.327 1.280 2.498 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.738 0.969 3.169 1.00 0.00 H new ATOM 0 HE1 MET A 70 31.406 0.484 0.350 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.681 0.835 2.073 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.526 2.170 0.906 1.00 0.00 H new ATOM 1123 N PRO A 71 35.393 5.814 3.609 1.00 0.00 N ATOM 1124 CA PRO A 71 35.274 7.268 3.754 1.00 0.00 C ATOM 1125 C PRO A 71 34.001 7.812 3.116 1.00 0.00 C ATOM 1126 O PRO A 71 33.335 7.117 2.348 1.00 0.00 O ATOM 1127 CB PRO A 71 36.508 7.800 3.021 1.00 0.00 C ATOM 1128 CG PRO A 71 36.849 6.738 2.033 1.00 0.00 C ATOM 1129 CD PRO A 71 36.471 5.434 2.680 1.00 0.00 C ATOM 0 HA PRO A 71 35.219 7.570 4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.296 8.748 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.332 7.978 3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.304 6.883 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.911 6.759 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.130 4.705 1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.315 4.986 3.205 1.00 0.00 H new ATOM 1137 N ILE A 72 33.668 9.057 3.439 1.00 0.00 N ATOM 1138 CA ILE A 72 32.474 9.694 2.896 1.00 0.00 C ATOM 1139 C ILE A 72 32.558 9.814 1.378 1.00 0.00 C ATOM 1140 O ILE A 72 31.542 9.772 0.686 1.00 0.00 O ATOM 1141 CB ILE A 72 32.259 11.094 3.500 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.294 11.026 5.028 1.00 0.00 C ATOM 1143 CG2 ILE A 72 30.939 11.680 3.021 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.094 12.367 5.698 1.00 0.00 C ATOM 0 H ILE A 72 34.208 9.645 4.074 1.00 0.00 H new ATOM 0 HA ILE A 72 31.628 9.059 3.162 1.00 0.00 H new ATOM 0 HB ILE A 72 33.067 11.745 3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.520 10.339 5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.251 10.611 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.801 12.670 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.950 11.760 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.120 11.031 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.131 12.242 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 72 32.882 13.051 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.124 12.775 5.413 1.00 0.00 H new ATOM 1156 N ALA A 73 33.776 9.961 0.868 1.00 0.00 N ATOM 1157 CA ALA A 73 33.993 10.084 -0.568 1.00 0.00 C ATOM 1158 C ALA A 73 33.584 8.807 -1.296 1.00 0.00 C ATOM 1159 O ALA A 73 32.885 8.854 -2.308 1.00 0.00 O ATOM 1160 CB ALA A 73 35.450 10.413 -0.855 1.00 0.00 C ATOM 0 H ALA A 73 34.628 9.998 1.428 1.00 0.00 H new ATOM 0 HA ALA A 73 33.369 10.898 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.598 10.502 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.712 11.355 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 73 36.086 9.618 -0.466 1.00 0.00 H new ATOM 1166 N THR A 74 34.025 7.667 -0.774 1.00 0.00 N ATOM 1167 CA THR A 74 33.706 6.378 -1.375 1.00 0.00 C ATOM 1168 C THR A 74 32.213 6.084 -1.287 1.00 0.00 C ATOM 1169 O THR A 74 31.584 5.713 -2.278 1.00 0.00 O ATOM 1170 CB THR A 74 34.483 5.234 -0.696 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.892 5.447 -0.838 1.00 0.00 O ATOM 1172 CG2 THR A 74 34.105 3.890 -1.299 1.00 0.00 C ATOM 0 H THR A 74 34.604 7.610 0.064 1.00 0.00 H new ATOM 0 HA THR A 74 34.001 6.437 -2.423 1.00 0.00 H new ATOM 0 HB THR A 74 34.222 5.225 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.379 4.717 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.666 3.098 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 74 33.037 3.718 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.340 3.890 -2.363 1.00 0.00 H new ATOM 1180 N VAL A 75 31.650 6.254 -0.095 1.00 0.00 N ATOM 1181 CA VAL A 75 30.229 6.009 0.121 1.00 0.00 C ATOM 1182 C VAL A 75 29.377 6.841 -0.830 1.00 0.00 C ATOM 1183 O VAL A 75 28.377 6.363 -1.364 1.00 0.00 O ATOM 1184 CB VAL A 75 29.819 6.326 1.571 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.371 5.932 1.815 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.744 5.623 2.553 1.00 0.00 C ATOM 0 H VAL A 75 32.156 6.560 0.736 1.00 0.00 H new ATOM 0 HA VAL A 75 30.057 4.950 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 75 29.910 7.401 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.100 6.164 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.724 6.487 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.250 4.863 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.439 5.859 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.689 4.546 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.768 5.960 2.393 1.00 0.00 H new ATOM 1196 N GLY A 76 29.781 8.091 -1.039 1.00 0.00 N ATOM 1197 CA GLY A 76 29.043 8.970 -1.927 1.00 0.00 C ATOM 1198 C GLY A 76 28.947 8.422 -3.337 1.00 0.00 C ATOM 1199 O GLY A 76 27.899 8.517 -3.976 1.00 0.00 O ATOM 0 H GLY A 76 30.606 8.510 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.039 9.122 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.527 9.946 -1.952 1.00 0.00 H new ATOM 1203 N ARG A 77 30.043 7.849 -3.824 1.00 0.00 N ATOM 1204 CA ARG A 77 30.078 7.287 -5.168 1.00 0.00 C ATOM 1205 C ARG A 77 28.992 6.230 -5.344 1.00 0.00 C ATOM 1206 O ARG A 77 28.427 6.080 -6.427 1.00 0.00 O ATOM 1207 CB ARG A 77 31.451 6.676 -5.453 1.00 0.00 C ATOM 1208 CG ARG A 77 32.452 7.667 -6.023 1.00 0.00 C ATOM 1209 CD ARG A 77 33.567 6.960 -6.778 1.00 0.00 C ATOM 1210 NE ARG A 77 33.164 6.596 -8.134 1.00 0.00 N ATOM 1211 CZ ARG A 77 33.997 6.092 -9.038 1.00 0.00 C ATOM 1212 NH1 ARG A 77 35.272 5.893 -8.732 1.00 0.00 N ATOM 1213 NH2 ARG A 77 33.556 5.786 -10.251 1.00 0.00 N ATOM 0 H ARG A 77 30.918 7.762 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 77 29.893 8.094 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.852 6.258 -4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 77 31.333 5.849 -6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 77 31.940 8.359 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 77 32.878 8.261 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 77 34.443 7.608 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 77 33.861 6.062 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 77 32.190 6.736 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 77 35.615 6.127 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 77 35.909 5.506 -9.428 1.00 0.00 H new ATOM 0 HH21 ARG A 77 32.576 5.938 -10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 77 34.197 5.399 -10.944 1.00 0.00 H new ATOM 1227 N ASN A 78 28.707 5.498 -4.272 1.00 0.00 N ATOM 1228 CA ASN A 78 27.689 4.454 -4.308 1.00 0.00 C ATOM 1229 C ASN A 78 26.315 5.043 -4.609 1.00 0.00 C ATOM 1230 O ASN A 78 25.474 4.397 -5.234 1.00 0.00 O ATOM 1231 CB ASN A 78 27.653 3.702 -2.976 1.00 0.00 C ATOM 1232 CG ASN A 78 28.269 2.320 -3.075 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.777 1.460 -3.805 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.351 2.100 -2.337 1.00 0.00 N ATOM 0 H ASN A 78 29.166 5.608 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 78 27.948 3.757 -5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 78 28.185 4.281 -2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.620 3.613 -2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.808 1.189 -2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.725 2.842 -1.746 1.00 0.00 H new ATOM 1241 N VAL A 79 26.094 6.275 -4.161 1.00 0.00 N ATOM 1242 CA VAL A 79 24.822 6.953 -4.385 1.00 0.00 C ATOM 1243 C VAL A 79 24.917 7.927 -5.553 1.00 0.00 C ATOM 1244 O VAL A 79 24.091 8.828 -5.692 1.00 0.00 O ATOM 1245 CB VAL A 79 24.366 7.718 -3.128 1.00 0.00 C ATOM 1246 CG1 VAL A 79 24.176 6.762 -1.960 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.366 8.809 -2.777 1.00 0.00 C ATOM 0 H VAL A 79 26.779 6.824 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 79 24.088 6.182 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 79 23.407 8.190 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.854 7.321 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.419 6.021 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 79 25.119 6.259 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 79 25.028 9.339 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.341 8.361 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.447 9.510 -3.608 1.00 0.00 H new ATOM 1257 N GLY A 80 25.931 7.740 -6.393 1.00 0.00 N ATOM 1258 CA GLY A 80 26.115 8.609 -7.540 1.00 0.00 C ATOM 1259 C GLY A 80 26.622 9.983 -7.150 1.00 0.00 C ATOM 1260 O GLY A 80 26.740 10.872 -7.994 1.00 0.00 O ATOM 0 H GLY A 80 26.628 7.002 -6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.820 8.148 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 80 25.168 8.711 -8.070 1.00 0.00 H new ATOM 1264 N PHE A 81 26.922 10.160 -5.867 1.00 0.00 N ATOM 1265 CA PHE A 81 27.417 11.437 -5.366 1.00 0.00 C ATOM 1266 C PHE A 81 28.919 11.568 -5.602 1.00 0.00 C ATOM 1267 O PHE A 81 29.712 10.796 -5.063 1.00 0.00 O ATOM 1268 CB PHE A 81 27.109 11.577 -3.874 1.00 0.00 C ATOM 1269 CG PHE A 81 25.741 12.130 -3.594 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.641 11.689 -4.313 1.00 0.00 C ATOM 1271 CD2 PHE A 81 25.554 13.089 -2.612 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.381 12.197 -4.057 1.00 0.00 C ATOM 1273 CE2 PHE A 81 24.296 13.600 -2.352 1.00 0.00 C ATOM 1274 CZ PHE A 81 23.208 13.152 -3.075 1.00 0.00 C ATOM 0 H PHE A 81 26.831 9.435 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 81 26.911 12.234 -5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 81 27.202 10.600 -3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.855 12.226 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.770 10.941 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 81 26.401 13.442 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.532 11.847 -4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 81 24.164 14.348 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 81 22.224 13.548 -2.873 1.00 0.00 H new ATOM 1284 N ASP A 82 29.301 12.550 -6.410 1.00 0.00 N ATOM 1285 CA ASP A 82 30.707 12.784 -6.717 1.00 0.00 C ATOM 1286 C ASP A 82 31.336 13.730 -5.698 1.00 0.00 C ATOM 1287 O ASP A 82 32.525 13.629 -5.394 1.00 0.00 O ATOM 1288 CB ASP A 82 30.855 13.362 -8.126 1.00 0.00 C ATOM 1289 CG ASP A 82 30.080 14.653 -8.306 1.00 0.00 C ATOM 1290 OD1 ASP A 82 28.834 14.612 -8.241 1.00 0.00 O ATOM 1291 OD2 ASP A 82 30.721 15.705 -8.511 1.00 0.00 O ATOM 0 H ASP A 82 28.657 13.197 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 82 31.227 11.827 -6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 82 31.910 13.543 -8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.509 12.629 -8.855 1.00 0.00 H new ATOM 1296 N ASP A 83 30.531 14.648 -5.175 1.00 0.00 N ATOM 1297 CA ASP A 83 31.008 15.611 -4.190 1.00 0.00 C ATOM 1298 C ASP A 83 30.770 15.102 -2.772 1.00 0.00 C ATOM 1299 O ASP A 83 29.631 14.864 -2.372 1.00 0.00 O ATOM 1300 CB ASP A 83 30.312 16.959 -4.385 1.00 0.00 C ATOM 1301 CG ASP A 83 30.705 17.972 -3.328 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.835 17.876 -2.804 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.883 18.861 -3.024 1.00 0.00 O ATOM 0 H ASP A 83 29.545 14.745 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 83 32.081 15.740 -4.335 1.00 0.00 H new ATOM 0 HB2 ASP A 83 30.559 17.353 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 83 29.232 16.814 -4.361 1.00 0.00 H new ATOM 1308 N GLN A 84 31.852 14.936 -2.019 1.00 0.00 N ATOM 1309 CA GLN A 84 31.760 14.454 -0.646 1.00 0.00 C ATOM 1310 C GLN A 84 30.940 15.410 0.214 1.00 0.00 C ATOM 1311 O GLN A 84 30.137 14.982 1.044 1.00 0.00 O ATOM 1312 CB GLN A 84 33.158 14.283 -0.048 1.00 0.00 C ATOM 1313 CG GLN A 84 33.150 13.991 1.444 1.00 0.00 C ATOM 1314 CD GLN A 84 34.546 13.886 2.025 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.153 12.815 2.021 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.064 15.000 2.529 1.00 0.00 N ATOM 0 H GLN A 84 32.802 15.128 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 84 31.258 13.487 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.669 13.471 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.735 15.190 -0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 84 32.603 14.779 1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 84 32.614 13.059 1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.526 15.866 2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.000 14.990 2.934 1.00 0.00 H new ATOM 1325 N LEU A 85 31.147 16.706 0.009 1.00 0.00 N ATOM 1326 CA LEU A 85 30.426 17.724 0.766 1.00 0.00 C ATOM 1327 C LEU A 85 28.940 17.706 0.425 1.00 0.00 C ATOM 1328 O LEU A 85 28.094 17.982 1.276 1.00 0.00 O ATOM 1329 CB LEU A 85 31.010 19.109 0.480 1.00 0.00 C ATOM 1330 CG LEU A 85 32.511 19.269 0.727 1.00 0.00 C ATOM 1331 CD1 LEU A 85 33.038 20.509 0.023 1.00 0.00 C ATOM 1332 CD2 LEU A 85 32.802 19.335 2.219 1.00 0.00 C ATOM 0 H LEU A 85 31.807 17.077 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 85 30.539 17.501 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.805 19.360 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.481 19.838 1.094 1.00 0.00 H new ATOM 0 HG LEU A 85 33.023 18.399 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 85 34.107 20.607 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.864 20.420 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.521 21.390 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.875 19.449 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.279 20.187 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.461 18.417 2.697 1.00 0.00 H new ATOM 1344 N TYR A 86 28.629 17.378 -0.824 1.00 0.00 N ATOM 1345 CA TYR A 86 27.244 17.324 -1.278 1.00 0.00 C ATOM 1346 C TYR A 86 26.452 16.286 -0.489 1.00 0.00 C ATOM 1347 O TYR A 86 25.311 16.527 -0.094 1.00 0.00 O ATOM 1348 CB TYR A 86 27.188 16.998 -2.771 1.00 0.00 C ATOM 1349 CG TYR A 86 25.782 16.827 -3.301 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.743 17.626 -2.840 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.492 15.865 -4.260 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.456 17.472 -3.320 1.00 0.00 C ATOM 1353 CE2 TYR A 86 24.209 15.705 -4.747 1.00 0.00 C ATOM 1354 CZ TYR A 86 23.195 16.511 -4.274 1.00 0.00 C ATOM 1355 OH TYR A 86 21.915 16.354 -4.755 1.00 0.00 O ATOM 0 H TYR A 86 29.317 17.145 -1.540 1.00 0.00 H new ATOM 0 HA TYR A 86 26.794 18.302 -1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.683 17.794 -3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.751 16.083 -2.956 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.944 18.380 -2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 86 26.283 15.231 -4.632 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.659 18.101 -2.950 1.00 0.00 H new ATOM 0 HE2 TYR A 86 24.001 14.953 -5.494 1.00 0.00 H new ATOM 0 HH TYR A 86 21.902 15.636 -5.422 1.00 0.00 H new ATOM 1365 N PHE A 87 27.067 15.130 -0.262 1.00 0.00 N ATOM 1366 CA PHE A 87 26.421 14.053 0.479 1.00 0.00 C ATOM 1367 C PHE A 87 26.181 14.460 1.930 1.00 0.00 C ATOM 1368 O PHE A 87 25.093 14.261 2.470 1.00 0.00 O ATOM 1369 CB PHE A 87 27.276 12.785 0.428 1.00 0.00 C ATOM 1370 CG PHE A 87 26.776 11.688 1.323 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.636 10.972 0.992 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.444 11.372 2.494 1.00 0.00 C ATOM 1373 CE1 PHE A 87 25.173 9.962 1.814 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.986 10.362 3.320 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.849 9.656 2.979 1.00 0.00 C ATOM 0 H PHE A 87 28.012 14.915 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 87 25.457 13.851 0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.308 12.419 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.299 13.035 0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 87 25.104 11.206 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.334 11.921 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 87 24.283 9.412 1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.517 10.126 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.489 8.866 3.622 1.00 0.00 H new ATOM 1385 N SER A 88 27.206 15.030 2.556 1.00 0.00 N ATOM 1386 CA SER A 88 27.109 15.461 3.946 1.00 0.00 C ATOM 1387 C SER A 88 26.104 16.599 4.093 1.00 0.00 C ATOM 1388 O SER A 88 25.371 16.671 5.079 1.00 0.00 O ATOM 1389 CB SER A 88 28.480 15.905 4.461 1.00 0.00 C ATOM 1390 OG SER A 88 29.495 15.006 4.050 1.00 0.00 O ATOM 0 H SER A 88 28.113 15.204 2.123 1.00 0.00 H new ATOM 0 HA SER A 88 26.762 14.615 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.704 16.905 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.461 15.964 5.549 1.00 0.00 H new ATOM 0 HG SER A 88 30.361 15.313 4.390 1.00 0.00 H new ATOM 1396 N ARG A 89 26.078 17.488 3.105 1.00 0.00 N ATOM 1397 CA ARG A 89 25.165 18.624 3.124 1.00 0.00 C ATOM 1398 C ARG A 89 23.713 18.155 3.107 1.00 0.00 C ATOM 1399 O ARG A 89 22.903 18.577 3.933 1.00 0.00 O ATOM 1400 CB ARG A 89 25.430 19.539 1.927 1.00 0.00 C ATOM 1401 CG ARG A 89 26.618 20.467 2.121 1.00 0.00 C ATOM 1402 CD ARG A 89 27.130 21.004 0.793 1.00 0.00 C ATOM 1403 NE ARG A 89 26.046 21.498 -0.051 1.00 0.00 N ATOM 1404 CZ ARG A 89 26.180 21.747 -1.349 1.00 0.00 C ATOM 1405 NH1 ARG A 89 27.346 21.548 -1.948 1.00 0.00 N ATOM 1406 NH2 ARG A 89 25.147 22.195 -2.051 1.00 0.00 N ATOM 0 H ARG A 89 26.679 17.443 2.282 1.00 0.00 H new ATOM 0 HA ARG A 89 25.338 19.182 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.600 18.926 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.540 20.138 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.330 21.299 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.419 19.932 2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.842 21.809 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 89 27.669 20.216 0.267 1.00 0.00 H new ATOM 0 HE ARG A 89 25.136 21.661 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 89 28.142 21.203 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 89 27.447 21.740 -2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 89 24.248 22.349 -1.594 1.00 0.00 H new ATOM 0 HH22 ARG A 89 25.252 22.386 -3.048 1.00 0.00 H new ATOM 1420 N VAL A 90 23.390 17.281 2.159 1.00 0.00 N ATOM 1421 CA VAL A 90 22.036 16.754 2.035 1.00 0.00 C ATOM 1422 C VAL A 90 21.708 15.805 3.182 1.00 0.00 C ATOM 1423 O VAL A 90 20.633 15.883 3.778 1.00 0.00 O ATOM 1424 CB VAL A 90 21.843 16.012 0.699 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.450 15.406 0.620 1.00 0.00 C ATOM 1426 CG2 VAL A 90 22.092 16.950 -0.472 1.00 0.00 C ATOM 0 H VAL A 90 24.047 16.923 1.466 1.00 0.00 H new ATOM 0 HA VAL A 90 21.360 17.608 2.069 1.00 0.00 H new ATOM 0 HB VAL A 90 22.569 15.201 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.333 14.886 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.313 14.700 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.704 16.197 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.951 16.409 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.391 17.784 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 90 23.112 17.331 -0.423 1.00 0.00 H new ATOM 1436 N PHE A 91 22.640 14.909 3.487 1.00 0.00 N ATOM 1437 CA PHE A 91 22.450 13.944 4.564 1.00 0.00 C ATOM 1438 C PHE A 91 22.269 14.652 5.903 1.00 0.00 C ATOM 1439 O PHE A 91 21.502 14.206 6.756 1.00 0.00 O ATOM 1440 CB PHE A 91 23.643 12.988 4.637 1.00 0.00 C ATOM 1441 CG PHE A 91 23.620 12.093 5.842 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.197 12.499 7.034 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.023 10.844 5.783 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.178 11.678 8.146 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.000 10.018 6.891 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.580 10.435 8.074 1.00 0.00 C ATOM 0 H PHE A 91 23.535 14.831 3.004 1.00 0.00 H new ATOM 0 HA PHE A 91 21.547 13.372 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.661 12.373 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.565 13.570 4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.668 13.469 7.095 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.570 10.512 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.630 12.008 9.070 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.529 9.048 6.832 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.566 9.790 8.940 1.00 0.00 H new ATOM 1456 N LYS A 92 22.982 15.759 6.082 1.00 0.00 N ATOM 1457 CA LYS A 92 22.902 16.532 7.316 1.00 0.00 C ATOM 1458 C LYS A 92 21.466 16.967 7.592 1.00 0.00 C ATOM 1459 O LYS A 92 20.962 16.810 8.704 1.00 0.00 O ATOM 1460 CB LYS A 92 23.812 17.759 7.234 1.00 0.00 C ATOM 1461 CG LYS A 92 23.645 18.719 8.399 1.00 0.00 C ATOM 1462 CD LYS A 92 24.673 19.836 8.353 1.00 0.00 C ATOM 1463 CE LYS A 92 24.195 21.066 9.110 1.00 0.00 C ATOM 1464 NZ LYS A 92 25.304 22.025 9.367 1.00 0.00 N ATOM 0 H LYS A 92 23.623 16.141 5.387 1.00 0.00 H new ATOM 0 HA LYS A 92 23.235 15.896 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 92 24.850 17.429 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.609 18.290 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 92 22.642 19.145 8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 92 23.741 18.173 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 92 25.612 19.486 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 92 24.876 20.102 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.411 21.562 8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.753 20.760 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.937 22.849 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.041 21.560 9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.710 22.337 8.462 1.00 0.00 H new ATOM 1478 N LYS A 93 20.812 17.514 6.573 1.00 0.00 N ATOM 1479 CA LYS A 93 19.434 17.970 6.705 1.00 0.00 C ATOM 1480 C LYS A 93 18.467 16.790 6.698 1.00 0.00 C ATOM 1481 O LYS A 93 17.367 16.873 7.246 1.00 0.00 O ATOM 1482 CB LYS A 93 19.084 18.936 5.571 1.00 0.00 C ATOM 1483 CG LYS A 93 19.978 20.163 5.519 1.00 0.00 C ATOM 1484 CD LYS A 93 20.353 20.519 4.090 1.00 0.00 C ATOM 1485 CE LYS A 93 19.443 21.600 3.528 1.00 0.00 C ATOM 1486 NZ LYS A 93 18.004 21.249 3.682 1.00 0.00 N ATOM 0 H LYS A 93 21.215 17.652 5.646 1.00 0.00 H new ATOM 0 HA LYS A 93 19.339 18.489 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.152 18.407 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.048 19.256 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.467 21.007 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.883 19.980 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.388 20.860 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.292 19.629 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.643 22.543 4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.669 21.752 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.425 21.900 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.848 20.274 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.733 21.328 4.683 1.00 0.00 H new ATOM 1500 N CYS A 94 18.884 15.693 6.076 1.00 0.00 N ATOM 1501 CA CYS A 94 18.055 14.496 5.998 1.00 0.00 C ATOM 1502 C CYS A 94 17.719 13.976 7.392 1.00 0.00 C ATOM 1503 O CYS A 94 16.558 13.713 7.706 1.00 0.00 O ATOM 1504 CB CYS A 94 18.768 13.408 5.194 1.00 0.00 C ATOM 1505 SG CYS A 94 18.451 13.477 3.415 1.00 0.00 S ATOM 0 H CYS A 94 19.792 15.608 5.618 1.00 0.00 H new ATOM 0 HA CYS A 94 17.125 14.760 5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.841 13.490 5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 94 18.459 12.432 5.570 1.00 0.00 H new ATOM 0 HG CYS A 94 17.901 12.364 3.029 1.00 0.00 H new ATOM 1511 N THR A 95 18.744 13.830 8.227 1.00 0.00 N ATOM 1512 CA THR A 95 18.558 13.340 9.587 1.00 0.00 C ATOM 1513 C THR A 95 18.650 14.476 10.599 1.00 0.00 C ATOM 1514 O THR A 95 18.319 14.305 11.771 1.00 0.00 O ATOM 1515 CB THR A 95 19.601 12.264 9.944 1.00 0.00 C ATOM 1516 OG1 THR A 95 20.922 12.777 9.742 1.00 0.00 O ATOM 1517 CG2 THR A 95 19.402 11.015 9.098 1.00 0.00 C ATOM 0 H THR A 95 19.711 14.044 7.985 1.00 0.00 H new ATOM 0 HA THR A 95 17.562 12.899 9.630 1.00 0.00 H new ATOM 0 HB THR A 95 19.471 11.997 10.993 1.00 0.00 H new ATOM 0 HG1 THR A 95 21.579 12.088 9.973 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.150 10.270 9.368 1.00 0.00 H new ATOM 0 HG22 THR A 95 18.406 10.610 9.276 1.00 0.00 H new ATOM 0 HG23 THR A 95 19.508 11.269 8.043 1.00 0.00 H new ATOM 1525 N GLY A 96 19.101 15.639 10.137 1.00 0.00 N ATOM 1526 CA GLY A 96 19.228 16.787 11.015 1.00 0.00 C ATOM 1527 C GLY A 96 20.629 16.939 11.571 1.00 0.00 C ATOM 1528 O GLY A 96 20.949 17.949 12.198 1.00 0.00 O ATOM 0 H GLY A 96 19.380 15.806 9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.957 17.690 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.522 16.690 11.840 1.00 0.00 H new ATOM 1532 N ALA A 97 21.468 15.934 11.343 1.00 0.00 N ATOM 1533 CA ALA A 97 22.843 15.961 11.825 1.00 0.00 C ATOM 1534 C ALA A 97 23.807 15.438 10.766 1.00 0.00 C ATOM 1535 O ALA A 97 23.454 14.571 9.965 1.00 0.00 O ATOM 1536 CB ALA A 97 22.970 15.148 13.105 1.00 0.00 C ATOM 0 H ALA A 97 21.219 15.090 10.827 1.00 0.00 H new ATOM 0 HA ALA A 97 23.106 16.997 12.038 1.00 0.00 H new ATOM 0 HB1 ALA A 97 24.002 15.177 13.454 1.00 0.00 H new ATOM 0 HB2 ALA A 97 22.317 15.569 13.870 1.00 0.00 H new ATOM 0 HB3 ALA A 97 22.682 14.115 12.910 1.00 0.00 H new ATOM 1542 N SER A 98 25.025 15.969 10.766 1.00 0.00 N ATOM 1543 CA SER A 98 26.038 15.559 9.801 1.00 0.00 C ATOM 1544 C SER A 98 26.426 14.098 10.009 1.00 0.00 C ATOM 1545 O SER A 98 26.169 13.504 11.056 1.00 0.00 O ATOM 1546 CB SER A 98 27.277 16.449 9.921 1.00 0.00 C ATOM 1547 OG SER A 98 27.280 17.156 11.149 1.00 0.00 O ATOM 0 H SER A 98 25.335 16.684 11.424 1.00 0.00 H new ATOM 0 HA SER A 98 25.617 15.667 8.801 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.176 15.838 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 98 27.303 17.155 9.091 1.00 0.00 H new ATOM 0 HG SER A 98 28.082 17.716 11.202 1.00 0.00 H new ATOM 1553 N PRO A 99 27.060 13.504 8.988 1.00 0.00 N ATOM 1554 CA PRO A 99 27.498 12.105 9.033 1.00 0.00 C ATOM 1555 C PRO A 99 28.654 11.891 10.004 1.00 0.00 C ATOM 1556 O PRO A 99 28.776 10.829 10.614 1.00 0.00 O ATOM 1557 CB PRO A 99 27.947 11.827 7.596 1.00 0.00 C ATOM 1558 CG PRO A 99 28.322 13.162 7.052 1.00 0.00 C ATOM 1559 CD PRO A 99 27.400 14.151 7.709 1.00 0.00 C ATOM 0 HA PRO A 99 26.707 11.441 9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 99 28.791 11.138 7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.147 11.372 7.012 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.364 13.394 7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.212 13.187 5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 99 27.887 15.114 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.512 14.336 7.104 1.00 0.00 H new ATOM 1567 N SER A 100 29.500 12.907 10.143 1.00 0.00 N ATOM 1568 CA SER A 100 30.649 12.828 11.037 1.00 0.00 C ATOM 1569 C SER A 100 30.200 12.767 12.494 1.00 0.00 C ATOM 1570 O SER A 100 30.832 12.112 13.322 1.00 0.00 O ATOM 1571 CB SER A 100 31.571 14.031 10.825 1.00 0.00 C ATOM 1572 OG SER A 100 31.801 14.260 9.446 1.00 0.00 O ATOM 0 H SER A 100 29.411 13.794 9.648 1.00 0.00 H new ATOM 0 HA SER A 100 31.197 11.915 10.805 1.00 0.00 H new ATOM 0 HB2 SER A 100 31.126 14.918 11.275 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.521 13.859 11.332 1.00 0.00 H new ATOM 0 HG SER A 100 32.391 15.035 9.337 1.00 0.00 H new ATOM 1578 N GLU A 101 29.104 13.455 12.798 1.00 0.00 N ATOM 1579 CA GLU A 101 28.570 13.480 14.155 1.00 0.00 C ATOM 1580 C GLU A 101 27.881 12.161 14.493 1.00 0.00 C ATOM 1581 O GLU A 101 28.116 11.579 15.552 1.00 0.00 O ATOM 1582 CB GLU A 101 27.585 14.639 14.318 1.00 0.00 C ATOM 1583 CG GLU A 101 27.129 14.853 15.752 1.00 0.00 C ATOM 1584 CD GLU A 101 27.199 16.308 16.174 1.00 0.00 C ATOM 1585 OE1 GLU A 101 26.822 17.181 15.364 1.00 0.00 O ATOM 1586 OE2 GLU A 101 27.630 16.573 17.316 1.00 0.00 O ATOM 0 H GLU A 101 28.569 14.002 12.124 1.00 0.00 H new ATOM 0 HA GLU A 101 29.403 13.621 14.843 1.00 0.00 H new ATOM 0 HB2 GLU A 101 28.051 15.555 13.953 1.00 0.00 H new ATOM 0 HB3 GLU A 101 26.712 14.454 13.692 1.00 0.00 H new ATOM 0 HG2 GLU A 101 26.105 14.496 15.861 1.00 0.00 H new ATOM 0 HG3 GLU A 101 27.749 14.254 16.420 1.00 0.00 H new ATOM 1593 N PHE A 102 27.030 11.695 13.586 1.00 0.00 N ATOM 1594 CA PHE A 102 26.305 10.446 13.787 1.00 0.00 C ATOM 1595 C PHE A 102 27.270 9.271 13.908 1.00 0.00 C ATOM 1596 O PHE A 102 27.126 8.424 14.790 1.00 0.00 O ATOM 1597 CB PHE A 102 25.331 10.205 12.632 1.00 0.00 C ATOM 1598 CG PHE A 102 24.271 9.188 12.944 1.00 0.00 C ATOM 1599 CD1 PHE A 102 23.441 9.347 14.042 1.00 0.00 C ATOM 1600 CD2 PHE A 102 24.105 8.072 12.140 1.00 0.00 C ATOM 1601 CE1 PHE A 102 22.464 8.413 14.331 1.00 0.00 C ATOM 1602 CE2 PHE A 102 23.129 7.135 12.424 1.00 0.00 C ATOM 1603 CZ PHE A 102 22.309 7.305 13.522 1.00 0.00 C ATOM 0 H PHE A 102 26.825 12.164 12.704 1.00 0.00 H new ATOM 0 HA PHE A 102 25.741 10.527 14.716 1.00 0.00 H new ATOM 0 HB2 PHE A 102 24.852 11.148 12.368 1.00 0.00 H new ATOM 0 HB3 PHE A 102 25.892 9.877 11.757 1.00 0.00 H new ATOM 0 HD1 PHE A 102 23.559 10.211 14.679 1.00 0.00 H new ATOM 0 HD2 PHE A 102 24.745 7.932 11.282 1.00 0.00 H new ATOM 0 HE1 PHE A 102 21.822 8.550 15.189 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.008 6.271 11.788 1.00 0.00 H new ATOM 0 HZ PHE A 102 21.548 6.573 13.747 1.00 0.00 H new ATOM 1613 N ARG A 103 28.253 9.226 13.014 1.00 0.00 N ATOM 1614 CA ARG A 103 29.241 8.153 13.019 1.00 0.00 C ATOM 1615 C ARG A 103 30.071 8.184 14.299 1.00 0.00 C ATOM 1616 O ARG A 103 30.530 7.148 14.778 1.00 0.00 O ATOM 1617 CB ARG A 103 30.158 8.271 11.801 1.00 0.00 C ATOM 1618 CG ARG A 103 31.063 7.067 11.600 1.00 0.00 C ATOM 1619 CD ARG A 103 32.124 7.336 10.545 1.00 0.00 C ATOM 1620 NE ARG A 103 33.123 8.297 11.006 1.00 0.00 N ATOM 1621 CZ ARG A 103 34.083 7.999 11.874 1.00 0.00 C ATOM 1622 NH1 ARG A 103 34.174 6.773 12.372 1.00 0.00 N ATOM 1623 NH2 ARG A 103 34.955 8.928 12.245 1.00 0.00 N ATOM 0 H ARG A 103 28.386 9.919 12.278 1.00 0.00 H new ATOM 0 HA ARG A 103 28.709 7.203 12.975 1.00 0.00 H new ATOM 0 HB2 ARG A 103 29.547 8.408 10.909 1.00 0.00 H new ATOM 0 HB3 ARG A 103 30.774 9.164 11.906 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.544 6.811 12.544 1.00 0.00 H new ATOM 0 HG3 ARG A 103 30.464 6.206 11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 103 32.616 6.401 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 103 31.648 7.714 9.640 1.00 0.00 H new ATOM 0 HE ARG A 103 33.081 9.249 10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 103 33.506 6.056 12.088 1.00 0.00 H new ATOM 0 HH12 ARG A 103 34.912 6.547 13.038 1.00 0.00 H new ATOM 0 HH21 ARG A 103 34.888 9.872 11.863 1.00 0.00 H new ATOM 0 HH22 ARG A 103 35.692 8.698 12.912 1.00 0.00 H new ATOM 1637 N ALA A 104 30.258 9.380 14.847 1.00 0.00 N ATOM 1638 CA ALA A 104 31.032 9.546 16.072 1.00 0.00 C ATOM 1639 C ALA A 104 30.220 9.129 17.294 1.00 0.00 C ATOM 1640 O ALA A 104 30.761 8.580 18.253 1.00 0.00 O ATOM 1641 CB ALA A 104 31.496 10.988 16.211 1.00 0.00 C ATOM 0 H ALA A 104 29.885 10.248 14.463 1.00 0.00 H new ATOM 0 HA ALA A 104 31.907 8.899 16.011 1.00 0.00 H new ATOM 0 HB1 ALA A 104 32.072 11.098 17.130 1.00 0.00 H new ATOM 0 HB2 ALA A 104 32.120 11.253 15.357 1.00 0.00 H new ATOM 0 HB3 ALA A 104 30.629 11.647 16.246 1.00 0.00 H new ATOM 1647 N GLY A 105 28.918 9.395 17.253 1.00 0.00 N ATOM 1648 CA GLY A 105 28.054 9.042 18.364 1.00 0.00 C ATOM 1649 C GLY A 105 28.004 10.121 19.427 1.00 0.00 C ATOM 1650 O GLY A 105 27.501 9.895 20.528 1.00 0.00 O ATOM 0 H GLY A 105 28.446 9.848 16.470 1.00 0.00 H new ATOM 0 HA2 GLY A 105 27.046 8.857 17.992 1.00 0.00 H new ATOM 0 HA3 GLY A 105 28.405 8.112 18.811 1.00 0.00 H new ATOM 1654 N CYS A 106 28.529 11.297 19.099 1.00 0.00 N ATOM 1655 CA CYS A 106 28.545 12.415 20.035 1.00 0.00 C ATOM 1656 C CYS A 106 27.138 12.962 20.252 1.00 0.00 C ATOM 1657 O CYS A 106 26.440 13.301 19.298 1.00 0.00 O ATOM 1658 CB CYS A 106 29.463 13.525 19.520 1.00 0.00 C ATOM 1659 SG CYS A 106 29.997 14.692 20.794 1.00 0.00 S ATOM 0 H CYS A 106 28.949 11.500 18.192 1.00 0.00 H new ATOM 0 HA CYS A 106 28.926 12.052 20.990 1.00 0.00 H new ATOM 0 HB2 CYS A 106 30.344 13.072 19.066 1.00 0.00 H new ATOM 0 HB3 CYS A 106 28.945 14.074 18.733 1.00 0.00 H new ATOM 0 HG CYS A 106 30.771 15.591 20.262 1.00 0.00 H new ATOM 1665 N GLU A 107 26.729 13.044 21.515 1.00 0.00 N ATOM 1666 CA GLU A 107 25.404 13.548 21.856 1.00 0.00 C ATOM 1667 C GLU A 107 25.478 14.996 22.331 1.00 0.00 C ATOM 1668 O GLU A 107 24.996 15.906 21.657 1.00 0.00 O ATOM 1669 CB GLU A 107 24.767 12.676 22.941 1.00 0.00 C ATOM 1670 CG GLU A 107 25.527 12.689 24.257 1.00 0.00 C ATOM 1671 CD GLU A 107 25.071 13.801 25.182 1.00 0.00 C ATOM 1672 OE1 GLU A 107 23.845 13.978 25.336 1.00 0.00 O ATOM 1673 OE2 GLU A 107 25.940 14.493 25.752 1.00 0.00 O ATOM 0 H GLU A 107 27.295 12.768 22.317 1.00 0.00 H new ATOM 0 HA GLU A 107 24.786 13.509 20.959 1.00 0.00 H new ATOM 0 HB2 GLU A 107 23.747 13.017 23.117 1.00 0.00 H new ATOM 0 HB3 GLU A 107 24.702 11.650 22.579 1.00 0.00 H new ATOM 0 HG2 GLU A 107 25.397 11.729 24.757 1.00 0.00 H new ATOM 0 HG3 GLU A 107 26.592 12.802 24.056 1.00 0.00 H new TER 1680 GLU A 107