USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -140:sc= 0.415 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.4 K(o=-0.98,f=-2.8!) USER MOD Single : A 1 LYS N :NH3+ -130:sc= -0.0117 (180deg=-0.139) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 4:sc= 0.983 USER MOD Single : A 17 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.074) USER MOD Single : A 22 ASN : amide:sc= -0.194 K(o=-0.19,f=-6.2!) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= -0.178 (180deg=-0.621) USER MOD Single : A 25 HIS : no HE2:sc= -0.154 X(o=-0.15,f=-0.61) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0896 (180deg=-0.449) USER MOD Single : A 30 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.089) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= 1.6 (180deg=0.788) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 45 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.6!) USER MOD Single : A 46 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.15) USER MOD Single : A 48 GLN : amide:sc= -0.746 K(o=-0.75,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.1) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.246 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 68 LYS NZ :NH3+ 144:sc= -2.1! (180deg=-3.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -20.988 -12.290 7.472 1.00 60.32 N ATOM 2 CA LYS A 1 -19.812 -13.070 7.051 1.00 33.14 C ATOM 3 C LYS A 1 -18.887 -12.197 6.215 1.00 15.42 C ATOM 4 O LYS A 1 -19.358 -11.400 5.396 1.00 41.42 O ATOM 5 CB LYS A 1 -20.234 -14.285 6.225 1.00 53.22 C ATOM 6 CG LYS A 1 -21.127 -15.277 6.959 1.00 53.44 C ATOM 7 CD LYS A 1 -21.554 -16.426 6.051 1.00 54.22 C ATOM 8 CE LYS A 1 -22.363 -15.924 4.867 1.00 11.32 C ATOM 9 NZ LYS A 1 -22.824 -17.015 3.990 1.00 24.24 N ATOM 0 H1 LYS A 1 -21.128 -12.399 8.497 1.00 60.32 H new ATOM 0 H2 LYS A 1 -20.837 -11.286 7.248 1.00 60.32 H new ATOM 0 H3 LYS A 1 -21.831 -12.634 6.969 1.00 60.32 H new ATOM 0 HA LYS A 1 -19.292 -13.413 7.946 1.00 33.14 H new ATOM 0 HB2 LYS A 1 -20.757 -13.937 5.334 1.00 53.22 H new ATOM 0 HB3 LYS A 1 -19.338 -14.805 5.886 1.00 53.22 H new ATOM 0 HG2 LYS A 1 -20.596 -15.674 7.824 1.00 53.44 H new ATOM 0 HG3 LYS A 1 -22.011 -14.762 7.336 1.00 53.44 H new ATOM 0 HD2 LYS A 1 -20.672 -16.956 5.692 1.00 54.22 H new ATOM 0 HD3 LYS A 1 -22.146 -17.142 6.621 1.00 54.22 H new ATOM 0 HE2 LYS A 1 -23.226 -15.367 5.232 1.00 11.32 H new ATOM 0 HE3 LYS A 1 -21.757 -15.228 4.287 1.00 11.32 H new ATOM 0 HZ1 LYS A 1 -23.370 -16.618 3.199 1.00 24.24 H new ATOM 0 HZ2 LYS A 1 -22.002 -17.532 3.618 1.00 24.24 H new ATOM 0 HZ3 LYS A 1 -23.426 -17.666 4.533 1.00 24.24 H new ATOM 23 N PRO A 2 -17.562 -12.312 6.415 1.00 1.42 N ATOM 24 CA PRO A 2 -16.589 -11.537 5.657 1.00 51.51 C ATOM 25 C PRO A 2 -16.429 -12.072 4.233 1.00 64.13 C ATOM 26 O PRO A 2 -15.939 -13.190 4.020 1.00 23.44 O ATOM 27 CB PRO A 2 -15.287 -11.709 6.450 1.00 44.02 C ATOM 28 CG PRO A 2 -15.440 -13.015 7.161 1.00 11.05 C ATOM 29 CD PRO A 2 -16.914 -13.203 7.407 1.00 72.02 C ATOM 0 HA PRO A 2 -16.888 -10.495 5.546 1.00 51.51 H new ATOM 0 HB2 PRO A 2 -14.420 -11.718 5.789 1.00 44.02 H new ATOM 0 HB3 PRO A 2 -15.142 -10.890 7.155 1.00 44.02 H new ATOM 0 HG2 PRO A 2 -15.041 -13.832 6.560 1.00 11.05 H new ATOM 0 HG3 PRO A 2 -14.888 -13.011 8.101 1.00 11.05 H new ATOM 0 HD2 PRO A 2 -17.213 -14.242 7.265 1.00 72.02 H new ATOM 0 HD3 PRO A 2 -17.186 -12.929 8.426 1.00 72.02 H new ATOM 37 N VAL A 3 -16.878 -11.309 3.275 1.00 32.54 N ATOM 38 CA VAL A 3 -16.752 -11.701 1.889 1.00 21.15 C ATOM 39 C VAL A 3 -15.382 -11.302 1.356 1.00 54.41 C ATOM 40 O VAL A 3 -14.831 -10.269 1.763 1.00 14.04 O ATOM 41 CB VAL A 3 -17.886 -11.117 0.996 1.00 34.21 C ATOM 42 CG1 VAL A 3 -19.238 -11.664 1.430 1.00 72.33 C ATOM 43 CG2 VAL A 3 -17.895 -9.595 1.048 1.00 53.25 C ATOM 0 H VAL A 3 -17.336 -10.410 3.424 1.00 32.54 H new ATOM 0 HA VAL A 3 -16.852 -12.786 1.847 1.00 21.15 H new ATOM 0 HB VAL A 3 -17.695 -11.422 -0.033 1.00 34.21 H new ATOM 0 HG11 VAL A 3 -20.020 -11.246 0.796 1.00 72.33 H new ATOM 0 HG12 VAL A 3 -19.238 -12.750 1.338 1.00 72.33 H new ATOM 0 HG13 VAL A 3 -19.426 -11.388 2.468 1.00 72.33 H new ATOM 0 HG21 VAL A 3 -18.697 -9.214 0.415 1.00 53.25 H new ATOM 0 HG22 VAL A 3 -18.056 -9.267 2.075 1.00 53.25 H new ATOM 0 HG23 VAL A 3 -16.939 -9.213 0.691 1.00 53.25 H new ATOM 53 N SER A 4 -14.831 -12.143 0.479 1.00 74.43 N ATOM 54 CA SER A 4 -13.500 -11.971 -0.124 1.00 71.13 C ATOM 55 C SER A 4 -12.381 -12.209 0.908 1.00 64.10 C ATOM 56 O SER A 4 -11.606 -13.172 0.785 1.00 43.13 O ATOM 57 CB SER A 4 -13.354 -10.586 -0.787 1.00 45.30 C ATOM 58 OG SER A 4 -14.380 -10.369 -1.757 1.00 31.34 O ATOM 0 H SER A 4 -15.307 -12.986 0.157 1.00 74.43 H new ATOM 0 HA SER A 4 -13.399 -12.724 -0.905 1.00 71.13 H new ATOM 0 HB2 SER A 4 -13.399 -9.808 -0.025 1.00 45.30 H new ATOM 0 HB3 SER A 4 -12.377 -10.509 -1.263 1.00 45.30 H new ATOM 0 HG SER A 4 -14.266 -9.484 -2.161 1.00 31.34 H new ATOM 64 N LEU A 5 -12.340 -11.341 1.928 1.00 32.11 N ATOM 65 CA LEU A 5 -11.348 -11.348 2.998 1.00 23.13 C ATOM 66 C LEU A 5 -9.925 -11.394 2.451 1.00 20.51 C ATOM 67 O LEU A 5 -9.298 -12.453 2.372 1.00 73.44 O ATOM 68 CB LEU A 5 -11.611 -12.463 4.032 1.00 44.20 C ATOM 69 CG LEU A 5 -10.656 -12.525 5.237 1.00 33.44 C ATOM 70 CD1 LEU A 5 -10.736 -11.249 6.063 1.00 52.34 C ATOM 71 CD2 LEU A 5 -10.959 -13.742 6.097 1.00 70.13 C ATOM 0 H LEU A 5 -13.023 -10.590 2.029 1.00 32.11 H new ATOM 0 HA LEU A 5 -11.452 -10.403 3.531 1.00 23.13 H new ATOM 0 HB2 LEU A 5 -12.627 -12.346 4.408 1.00 44.20 H new ATOM 0 HB3 LEU A 5 -11.571 -13.422 3.516 1.00 44.20 H new ATOM 0 HG LEU A 5 -9.638 -12.616 4.858 1.00 33.44 H new ATOM 0 HD11 LEU A 5 -10.051 -11.319 6.908 1.00 52.34 H new ATOM 0 HD12 LEU A 5 -10.461 -10.396 5.443 1.00 52.34 H new ATOM 0 HD13 LEU A 5 -11.754 -11.117 6.430 1.00 52.34 H new ATOM 0 HD21 LEU A 5 -10.274 -13.769 6.944 1.00 70.13 H new ATOM 0 HD22 LEU A 5 -11.984 -13.684 6.462 1.00 70.13 H new ATOM 0 HD23 LEU A 5 -10.836 -14.647 5.502 1.00 70.13 H new ATOM 83 N SER A 6 -9.450 -10.266 2.026 1.00 63.10 N ATOM 84 CA SER A 6 -8.137 -10.170 1.476 1.00 54.42 C ATOM 85 C SER A 6 -7.494 -8.886 1.925 1.00 53.13 C ATOM 86 O SER A 6 -8.031 -7.795 1.699 1.00 22.54 O ATOM 87 CB SER A 6 -8.193 -10.231 -0.062 1.00 20.11 C ATOM 88 OG SER A 6 -6.888 -10.128 -0.639 1.00 31.51 O ATOM 0 H SER A 6 -9.963 -9.385 2.051 1.00 63.10 H new ATOM 0 HA SER A 6 -7.541 -11.011 1.830 1.00 54.42 H new ATOM 0 HB2 SER A 6 -8.657 -11.167 -0.373 1.00 20.11 H new ATOM 0 HB3 SER A 6 -8.822 -9.424 -0.436 1.00 20.11 H new ATOM 0 HG SER A 6 -6.958 -10.172 -1.616 1.00 31.51 H new ATOM 94 N TYR A 7 -6.368 -9.006 2.563 1.00 31.14 N ATOM 95 CA TYR A 7 -5.629 -7.866 2.981 1.00 35.13 C ATOM 96 C TYR A 7 -4.150 -8.147 2.807 1.00 22.05 C ATOM 97 O TYR A 7 -3.478 -8.628 3.710 1.00 71.22 O ATOM 98 CB TYR A 7 -5.969 -7.448 4.424 1.00 71.25 C ATOM 99 CG TYR A 7 -5.316 -6.152 4.852 1.00 21.51 C ATOM 100 CD1 TYR A 7 -5.813 -4.933 4.406 1.00 61.12 C ATOM 101 CD2 TYR A 7 -4.203 -6.141 5.684 1.00 31.24 C ATOM 102 CE1 TYR A 7 -5.225 -3.746 4.775 1.00 55.24 C ATOM 103 CE2 TYR A 7 -3.607 -4.954 6.056 1.00 75.10 C ATOM 104 CZ TYR A 7 -4.124 -3.759 5.598 1.00 50.32 C ATOM 105 OH TYR A 7 -3.528 -2.575 5.957 1.00 33.15 O ATOM 0 H TYR A 7 -5.941 -9.900 2.806 1.00 31.14 H new ATOM 0 HA TYR A 7 -5.908 -7.018 2.356 1.00 35.13 H new ATOM 0 HB2 TYR A 7 -7.050 -7.348 4.519 1.00 71.25 H new ATOM 0 HB3 TYR A 7 -5.661 -8.242 5.105 1.00 71.25 H new ATOM 0 HD1 TYR A 7 -6.677 -4.918 3.758 1.00 61.12 H new ATOM 0 HD2 TYR A 7 -3.799 -7.075 6.045 1.00 31.24 H new ATOM 0 HE1 TYR A 7 -5.626 -2.808 4.420 1.00 55.24 H new ATOM 0 HE2 TYR A 7 -2.741 -4.960 6.702 1.00 75.10 H new ATOM 0 HH TYR A 7 -2.764 -2.758 6.542 1.00 33.15 H new ATOM 115 N ARG A 8 -3.696 -7.944 1.609 1.00 52.50 N ATOM 116 CA ARG A 8 -2.309 -8.143 1.250 1.00 71.35 C ATOM 117 C ARG A 8 -1.631 -6.800 1.255 1.00 5.12 C ATOM 118 O ARG A 8 -0.706 -6.534 2.027 1.00 43.30 O ATOM 119 CB ARG A 8 -2.236 -8.730 -0.161 1.00 53.01 C ATOM 120 CG ARG A 8 -2.897 -10.084 -0.325 1.00 62.22 C ATOM 121 CD ARG A 8 -2.998 -10.445 -1.792 1.00 4.13 C ATOM 122 NE ARG A 8 -3.874 -9.501 -2.509 1.00 23.43 N ATOM 123 CZ ARG A 8 -3.787 -9.179 -3.808 1.00 43.52 C ATOM 124 NH1 ARG A 8 -2.803 -9.667 -4.558 1.00 61.14 N ATOM 125 NH2 ARG A 8 -4.687 -8.357 -4.352 1.00 11.23 N ATOM 0 H ARG A 8 -4.281 -7.630 0.834 1.00 52.50 H new ATOM 0 HA ARG A 8 -1.826 -8.821 1.953 1.00 71.35 H new ATOM 0 HB2 ARG A 8 -2.700 -8.029 -0.855 1.00 53.01 H new ATOM 0 HB3 ARG A 8 -1.188 -8.816 -0.449 1.00 53.01 H new ATOM 0 HG2 ARG A 8 -2.322 -10.844 0.205 1.00 62.22 H new ATOM 0 HG3 ARG A 8 -3.891 -10.068 0.122 1.00 62.22 H new ATOM 0 HD2 ARG A 8 -2.005 -10.438 -2.241 1.00 4.13 H new ATOM 0 HD3 ARG A 8 -3.387 -11.458 -1.895 1.00 4.13 H new ATOM 0 HE ARG A 8 -4.613 -9.052 -1.968 1.00 23.43 H new ATOM 0 HH11 ARG A 8 -2.109 -10.290 -4.146 1.00 61.14 H new ATOM 0 HH12 ARG A 8 -2.743 -9.418 -5.545 1.00 61.14 H new ATOM 0 HH21 ARG A 8 -5.440 -7.974 -3.780 1.00 11.23 H new ATOM 0 HH22 ARG A 8 -4.622 -8.111 -5.340 1.00 11.23 H new ATOM 139 N CYS A 9 -2.124 -5.960 0.400 1.00 14.52 N ATOM 140 CA CYS A 9 -1.654 -4.631 0.239 1.00 25.31 C ATOM 141 C CYS A 9 -2.818 -3.671 0.300 1.00 50.24 C ATOM 142 O CYS A 9 -3.754 -3.777 -0.491 1.00 55.13 O ATOM 143 CB CYS A 9 -0.897 -4.515 -1.077 1.00 23.23 C ATOM 144 SG CYS A 9 -1.726 -5.310 -2.508 1.00 51.22 S ATOM 0 H CYS A 9 -2.894 -6.196 -0.226 1.00 14.52 H new ATOM 0 HA CYS A 9 -0.967 -4.376 1.046 1.00 25.31 H new ATOM 0 HB2 CYS A 9 -0.746 -3.459 -1.302 1.00 23.23 H new ATOM 0 HB3 CYS A 9 0.091 -4.959 -0.953 1.00 23.23 H new ATOM 149 N PRO A 10 -2.804 -2.741 1.261 1.00 32.24 N ATOM 150 CA PRO A 10 -3.897 -1.784 1.441 1.00 51.14 C ATOM 151 C PRO A 10 -3.999 -0.796 0.275 1.00 73.33 C ATOM 152 O PRO A 10 -5.095 -0.511 -0.235 1.00 1.31 O ATOM 153 CB PRO A 10 -3.520 -1.045 2.737 1.00 21.32 C ATOM 154 CG PRO A 10 -2.043 -1.222 2.866 1.00 44.51 C ATOM 155 CD PRO A 10 -1.726 -2.557 2.265 1.00 22.25 C ATOM 0 HA PRO A 10 -4.867 -2.279 1.485 1.00 51.14 H new ATOM 0 HB2 PRO A 10 -3.788 0.010 2.682 1.00 21.32 H new ATOM 0 HB3 PRO A 10 -4.044 -1.463 3.597 1.00 21.32 H new ATOM 0 HG2 PRO A 10 -1.509 -0.426 2.348 1.00 44.51 H new ATOM 0 HG3 PRO A 10 -1.736 -1.183 3.911 1.00 44.51 H new ATOM 0 HD2 PRO A 10 -0.739 -2.566 1.803 1.00 22.25 H new ATOM 0 HD3 PRO A 10 -1.734 -3.348 3.015 1.00 22.25 H new ATOM 163 N CYS A 11 -2.864 -0.324 -0.166 1.00 51.20 N ATOM 164 CA CYS A 11 -2.805 0.686 -1.181 1.00 24.41 C ATOM 165 C CYS A 11 -2.831 0.116 -2.582 1.00 2.13 C ATOM 166 O CYS A 11 -1.799 -0.208 -3.154 1.00 12.02 O ATOM 167 CB CYS A 11 -1.583 1.560 -0.982 1.00 2.11 C ATOM 168 SG CYS A 11 -1.542 2.386 0.631 1.00 3.32 S ATOM 0 H CYS A 11 -1.952 -0.632 0.172 1.00 51.20 H new ATOM 0 HA CYS A 11 -3.704 1.293 -1.077 1.00 24.41 H new ATOM 0 HB2 CYS A 11 -0.687 0.949 -1.092 1.00 2.11 H new ATOM 0 HB3 CYS A 11 -1.553 2.314 -1.769 1.00 2.11 H new ATOM 173 N ARG A 12 -4.015 -0.063 -3.106 1.00 13.15 N ATOM 174 CA ARG A 12 -4.166 -0.480 -4.485 1.00 75.15 C ATOM 175 C ARG A 12 -4.807 0.635 -5.279 1.00 11.35 C ATOM 176 O ARG A 12 -5.096 0.502 -6.457 1.00 65.53 O ATOM 177 CB ARG A 12 -4.971 -1.764 -4.613 1.00 13.13 C ATOM 178 CG ARG A 12 -4.356 -2.948 -3.890 1.00 25.53 C ATOM 179 CD ARG A 12 -5.051 -4.225 -4.283 1.00 50.21 C ATOM 180 NE ARG A 12 -4.856 -4.499 -5.713 1.00 31.22 N ATOM 181 CZ ARG A 12 -5.620 -5.277 -6.472 1.00 52.34 C ATOM 182 NH1 ARG A 12 -6.662 -5.906 -5.956 1.00 72.25 N ATOM 183 NH2 ARG A 12 -5.332 -5.426 -7.750 1.00 4.21 N ATOM 0 H ARG A 12 -4.892 0.072 -2.603 1.00 13.15 H new ATOM 0 HA ARG A 12 -3.174 -0.692 -4.885 1.00 75.15 H new ATOM 0 HB2 ARG A 12 -5.974 -1.593 -4.223 1.00 13.13 H new ATOM 0 HB3 ARG A 12 -5.078 -2.011 -5.669 1.00 13.13 H new ATOM 0 HG2 ARG A 12 -3.295 -3.016 -4.129 1.00 25.53 H new ATOM 0 HG3 ARG A 12 -4.431 -2.803 -2.812 1.00 25.53 H new ATOM 0 HD2 ARG A 12 -4.662 -5.054 -3.692 1.00 50.21 H new ATOM 0 HD3 ARG A 12 -6.116 -4.149 -4.063 1.00 50.21 H new ATOM 0 HE ARG A 12 -4.060 -4.050 -6.165 1.00 31.22 H new ATOM 0 HH11 ARG A 12 -6.885 -5.796 -4.967 1.00 72.25 H new ATOM 0 HH12 ARG A 12 -7.242 -6.501 -6.547 1.00 72.25 H new ATOM 0 HH21 ARG A 12 -4.526 -4.945 -8.151 1.00 4.21 H new ATOM 0 HH22 ARG A 12 -5.915 -6.022 -8.338 1.00 4.21 H new ATOM 197 N PHE A 13 -5.031 1.740 -4.596 1.00 3.35 N ATOM 198 CA PHE A 13 -5.602 2.933 -5.171 1.00 54.44 C ATOM 199 C PHE A 13 -4.835 4.096 -4.602 1.00 4.42 C ATOM 200 O PHE A 13 -4.588 4.142 -3.385 1.00 4.51 O ATOM 201 CB PHE A 13 -7.086 3.080 -4.793 1.00 53.43 C ATOM 202 CG PHE A 13 -7.969 1.938 -5.230 1.00 41.12 C ATOM 203 CD1 PHE A 13 -8.535 1.931 -6.490 1.00 52.43 C ATOM 204 CD2 PHE A 13 -8.232 0.875 -4.374 1.00 2.20 C ATOM 205 CE1 PHE A 13 -9.346 0.891 -6.894 1.00 50.21 C ATOM 206 CE2 PHE A 13 -9.044 -0.170 -4.772 1.00 52.25 C ATOM 207 CZ PHE A 13 -9.600 -0.162 -6.034 1.00 14.15 C ATOM 0 H PHE A 13 -4.815 1.831 -3.603 1.00 3.35 H new ATOM 0 HA PHE A 13 -5.539 2.889 -6.258 1.00 54.44 H new ATOM 0 HB2 PHE A 13 -7.161 3.185 -3.711 1.00 53.43 H new ATOM 0 HB3 PHE A 13 -7.467 4.003 -5.230 1.00 53.43 H new ATOM 0 HD1 PHE A 13 -8.340 2.750 -7.167 1.00 52.43 H new ATOM 0 HD2 PHE A 13 -7.796 0.866 -3.386 1.00 2.20 H new ATOM 0 HE1 PHE A 13 -9.783 0.899 -7.882 1.00 50.21 H new ATOM 0 HE2 PHE A 13 -9.242 -0.990 -4.097 1.00 52.25 H new ATOM 0 HZ PHE A 13 -10.233 -0.977 -6.351 1.00 14.15 H new ATOM 217 N PHE A 14 -4.435 5.000 -5.434 1.00 12.53 N ATOM 218 CA PHE A 14 -3.655 6.118 -4.986 1.00 72.42 C ATOM 219 C PHE A 14 -4.418 7.402 -5.132 1.00 73.44 C ATOM 220 O PHE A 14 -5.234 7.555 -6.046 1.00 74.44 O ATOM 221 CB PHE A 14 -2.330 6.219 -5.744 1.00 41.31 C ATOM 222 CG PHE A 14 -1.465 5.001 -5.635 1.00 41.11 C ATOM 223 CD1 PHE A 14 -1.094 4.505 -4.397 1.00 55.32 C ATOM 224 CD2 PHE A 14 -1.030 4.350 -6.767 1.00 50.01 C ATOM 225 CE1 PHE A 14 -0.304 3.384 -4.295 1.00 31.03 C ATOM 226 CE2 PHE A 14 -0.239 3.229 -6.676 1.00 2.22 C ATOM 227 CZ PHE A 14 0.127 2.746 -5.434 1.00 41.00 C ATOM 0 H PHE A 14 -4.634 4.991 -6.434 1.00 12.53 H new ATOM 0 HA PHE A 14 -3.438 5.952 -3.931 1.00 72.42 H new ATOM 0 HB2 PHE A 14 -2.540 6.408 -6.797 1.00 41.31 H new ATOM 0 HB3 PHE A 14 -1.775 7.079 -5.370 1.00 41.31 H new ATOM 0 HD1 PHE A 14 -1.429 5.005 -3.500 1.00 55.32 H new ATOM 0 HD2 PHE A 14 -1.314 4.725 -7.739 1.00 50.01 H new ATOM 0 HE1 PHE A 14 -0.023 3.006 -3.323 1.00 31.03 H new ATOM 0 HE2 PHE A 14 0.095 2.728 -7.572 1.00 2.22 H new ATOM 0 HZ PHE A 14 0.751 1.868 -5.358 1.00 41.00 H new ATOM 237 N GLU A 15 -4.175 8.310 -4.215 1.00 53.35 N ATOM 238 CA GLU A 15 -4.746 9.615 -4.257 1.00 34.32 C ATOM 239 C GLU A 15 -4.048 10.339 -5.423 1.00 34.04 C ATOM 240 O GLU A 15 -4.673 10.994 -6.241 1.00 74.24 O ATOM 241 CB GLU A 15 -4.416 10.279 -2.930 1.00 41.42 C ATOM 242 CG GLU A 15 -5.280 11.456 -2.525 1.00 74.14 C ATOM 243 CD GLU A 15 -5.304 12.595 -3.497 1.00 60.24 C ATOM 244 OE1 GLU A 15 -4.354 13.359 -3.536 1.00 1.30 O ATOM 245 OE2 GLU A 15 -6.305 12.745 -4.214 1.00 42.40 O ATOM 0 H GLU A 15 -3.566 8.150 -3.413 1.00 53.35 H new ATOM 0 HA GLU A 15 -5.826 9.624 -4.403 1.00 34.32 H new ATOM 0 HB2 GLU A 15 -4.480 9.524 -2.146 1.00 41.42 H new ATOM 0 HB3 GLU A 15 -3.379 10.614 -2.966 1.00 41.42 H new ATOM 0 HG2 GLU A 15 -6.301 11.103 -2.378 1.00 74.14 H new ATOM 0 HG3 GLU A 15 -4.930 11.828 -1.562 1.00 74.14 H new ATOM 252 N SER A 16 -2.718 10.164 -5.472 1.00 21.22 N ATOM 253 CA SER A 16 -1.793 10.663 -6.530 1.00 70.13 C ATOM 254 C SER A 16 -1.689 12.202 -6.645 1.00 20.42 C ATOM 255 O SER A 16 -0.682 12.723 -7.120 1.00 63.32 O ATOM 256 CB SER A 16 -2.058 10.002 -7.909 1.00 3.51 C ATOM 257 OG SER A 16 -3.364 10.283 -8.406 1.00 70.03 O ATOM 0 H SER A 16 -2.224 9.647 -4.745 1.00 21.22 H new ATOM 0 HA SER A 16 -0.809 10.344 -6.186 1.00 70.13 H new ATOM 0 HB2 SER A 16 -1.316 10.354 -8.626 1.00 3.51 H new ATOM 0 HB3 SER A 16 -1.930 8.923 -7.822 1.00 3.51 H new ATOM 0 HG SER A 16 -3.820 10.901 -7.797 1.00 70.03 H new ATOM 263 N HIS A 17 -2.691 12.914 -6.194 1.00 45.42 N ATOM 264 CA HIS A 17 -2.708 14.364 -6.280 1.00 22.13 C ATOM 265 C HIS A 17 -2.190 14.927 -4.948 1.00 35.15 C ATOM 266 O HIS A 17 -2.551 16.017 -4.512 1.00 75.12 O ATOM 267 CB HIS A 17 -4.152 14.829 -6.572 1.00 21.33 C ATOM 268 CG HIS A 17 -4.244 16.268 -6.970 1.00 12.21 C ATOM 269 ND1 HIS A 17 -3.971 16.696 -8.244 1.00 23.34 N ATOM 270 CD2 HIS A 17 -4.539 17.381 -6.259 1.00 43.15 C ATOM 271 CE1 HIS A 17 -4.083 17.996 -8.298 1.00 61.32 C ATOM 272 NE2 HIS A 17 -4.428 18.440 -7.110 1.00 0.35 N ATOM 0 H HIS A 17 -3.520 12.511 -5.756 1.00 45.42 H new ATOM 0 HA HIS A 17 -2.068 14.725 -7.085 1.00 22.13 H new ATOM 0 HB2 HIS A 17 -4.570 14.212 -7.367 1.00 21.33 H new ATOM 0 HB3 HIS A 17 -4.765 14.665 -5.686 1.00 21.33 H new ATOM 0 HD2 HIS A 17 -4.811 17.422 -5.215 1.00 43.15 H new ATOM 0 HE1 HIS A 17 -3.919 18.606 -9.174 1.00 61.32 H new ATOM 0 HE2 HIS A 17 -4.587 19.417 -6.865 1.00 0.35 H new ATOM 281 N VAL A 18 -1.284 14.200 -4.360 1.00 62.13 N ATOM 282 CA VAL A 18 -0.757 14.525 -3.071 1.00 31.03 C ATOM 283 C VAL A 18 0.509 15.345 -3.252 1.00 24.21 C ATOM 284 O VAL A 18 1.355 15.020 -4.093 1.00 23.45 O ATOM 285 CB VAL A 18 -0.420 13.236 -2.274 1.00 32.03 C ATOM 286 CG1 VAL A 18 -0.013 13.560 -0.861 1.00 62.52 C ATOM 287 CG2 VAL A 18 -1.580 12.261 -2.283 1.00 24.42 C ATOM 0 H VAL A 18 -0.887 13.354 -4.770 1.00 62.13 H new ATOM 0 HA VAL A 18 -1.504 15.092 -2.515 1.00 31.03 H new ATOM 0 HB VAL A 18 0.425 12.759 -2.771 1.00 32.03 H new ATOM 0 HG11 VAL A 18 0.217 12.637 -0.328 1.00 62.52 H new ATOM 0 HG12 VAL A 18 0.869 14.201 -0.874 1.00 62.52 H new ATOM 0 HG13 VAL A 18 -0.829 14.077 -0.357 1.00 62.52 H new ATOM 0 HG21 VAL A 18 -1.311 11.370 -1.716 1.00 24.42 H new ATOM 0 HG22 VAL A 18 -2.453 12.730 -1.829 1.00 24.42 H new ATOM 0 HG23 VAL A 18 -1.812 11.981 -3.311 1.00 24.42 H new ATOM 297 N ALA A 19 0.618 16.404 -2.501 1.00 15.21 N ATOM 298 CA ALA A 19 1.762 17.274 -2.566 1.00 41.04 C ATOM 299 C ALA A 19 2.538 17.199 -1.271 1.00 0.44 C ATOM 300 O ALA A 19 1.952 16.952 -0.221 1.00 52.52 O ATOM 301 CB ALA A 19 1.318 18.693 -2.830 1.00 14.01 C ATOM 0 H ALA A 19 -0.087 16.691 -1.822 1.00 15.21 H new ATOM 0 HA ALA A 19 2.409 16.953 -3.383 1.00 41.04 H new ATOM 0 HB1 ALA A 19 2.191 19.344 -2.878 1.00 14.01 H new ATOM 0 HB2 ALA A 19 0.781 18.736 -3.778 1.00 14.01 H new ATOM 0 HB3 ALA A 19 0.661 19.024 -2.026 1.00 14.01 H new ATOM 307 N ARG A 20 3.839 17.435 -1.349 1.00 52.11 N ATOM 308 CA ARG A 20 4.761 17.351 -0.211 1.00 41.23 C ATOM 309 C ARG A 20 4.277 18.170 1.011 1.00 62.12 C ATOM 310 O ARG A 20 4.344 17.700 2.153 1.00 42.34 O ATOM 311 CB ARG A 20 6.160 17.832 -0.641 1.00 74.35 C ATOM 312 CG ARG A 20 7.208 17.795 0.464 1.00 53.42 C ATOM 313 CD ARG A 20 7.544 16.388 0.904 1.00 13.14 C ATOM 314 NE ARG A 20 8.393 16.393 2.110 1.00 51.24 N ATOM 315 CZ ARG A 20 9.443 15.582 2.347 1.00 1.15 C ATOM 316 NH1 ARG A 20 9.938 14.802 1.385 1.00 72.32 N ATOM 317 NH2 ARG A 20 10.028 15.598 3.542 1.00 24.21 N ATOM 0 H ARG A 20 4.299 17.696 -2.221 1.00 52.11 H new ATOM 0 HA ARG A 20 4.799 16.306 0.098 1.00 41.23 H new ATOM 0 HB2 ARG A 20 6.503 17.214 -1.471 1.00 74.35 H new ATOM 0 HB3 ARG A 20 6.080 18.853 -1.015 1.00 74.35 H new ATOM 0 HG2 ARG A 20 8.115 18.288 0.115 1.00 53.42 H new ATOM 0 HG3 ARG A 20 6.846 18.363 1.321 1.00 53.42 H new ATOM 0 HD2 ARG A 20 6.625 15.838 1.106 1.00 13.14 H new ATOM 0 HD3 ARG A 20 8.057 15.865 0.097 1.00 13.14 H new ATOM 0 HE ARG A 20 8.164 17.075 2.833 1.00 51.24 H new ATOM 0 HH11 ARG A 20 9.521 14.814 0.454 1.00 72.32 H new ATOM 0 HH12 ARG A 20 10.733 14.194 1.580 1.00 72.32 H new ATOM 0 HH21 ARG A 20 9.681 16.221 4.271 1.00 24.21 H new ATOM 0 HH22 ARG A 20 10.823 14.987 3.729 1.00 24.21 H new ATOM 331 N ALA A 21 3.784 19.372 0.770 1.00 50.23 N ATOM 332 CA ALA A 21 3.337 20.243 1.856 1.00 41.31 C ATOM 333 C ALA A 21 2.002 19.798 2.419 1.00 54.43 C ATOM 334 O ALA A 21 1.717 19.993 3.598 1.00 73.34 O ATOM 335 CB ALA A 21 3.251 21.679 1.398 1.00 50.45 C ATOM 0 H ALA A 21 3.681 19.771 -0.163 1.00 50.23 H new ATOM 0 HA ALA A 21 4.081 20.170 2.650 1.00 41.31 H new ATOM 0 HB1 ALA A 21 2.916 22.305 2.225 1.00 50.45 H new ATOM 0 HB2 ALA A 21 4.233 22.014 1.064 1.00 50.45 H new ATOM 0 HB3 ALA A 21 2.542 21.756 0.574 1.00 50.45 H new ATOM 341 N ASN A 22 1.202 19.172 1.590 1.00 2.23 N ATOM 342 CA ASN A 22 -0.130 18.723 1.993 1.00 25.44 C ATOM 343 C ASN A 22 -0.030 17.392 2.750 1.00 22.42 C ATOM 344 O ASN A 22 -1.005 16.882 3.288 1.00 40.13 O ATOM 345 CB ASN A 22 -1.058 18.620 0.753 1.00 23.54 C ATOM 346 CG ASN A 22 -2.509 18.211 1.064 1.00 23.11 C ATOM 347 OD1 ASN A 22 -3.038 18.467 2.153 1.00 11.32 O ATOM 348 ND2 ASN A 22 -3.161 17.608 0.100 1.00 65.04 N ATOM 0 H ASN A 22 1.443 18.956 0.623 1.00 2.23 H new ATOM 0 HA ASN A 22 -0.571 19.454 2.671 1.00 25.44 H new ATOM 0 HB2 ASN A 22 -1.068 19.584 0.244 1.00 23.54 H new ATOM 0 HB3 ASN A 22 -0.633 17.896 0.058 1.00 23.54 H new ATOM 0 HD21 ASN A 22 -4.134 17.335 0.236 1.00 65.04 H new ATOM 0 HD22 ASN A 22 -2.695 17.412 -0.786 1.00 65.04 H new ATOM 355 N VAL A 23 1.163 16.857 2.813 1.00 44.33 N ATOM 356 CA VAL A 23 1.388 15.626 3.534 1.00 11.34 C ATOM 357 C VAL A 23 1.684 15.905 4.998 1.00 42.14 C ATOM 358 O VAL A 23 2.596 16.653 5.331 1.00 50.40 O ATOM 359 CB VAL A 23 2.520 14.774 2.936 1.00 34.12 C ATOM 360 CG1 VAL A 23 2.757 13.564 3.777 1.00 15.33 C ATOM 361 CG2 VAL A 23 2.222 14.380 1.513 1.00 25.32 C ATOM 0 H VAL A 23 1.994 17.253 2.374 1.00 44.33 H new ATOM 0 HA VAL A 23 0.465 15.052 3.444 1.00 11.34 H new ATOM 0 HB VAL A 23 3.426 15.380 2.927 1.00 34.12 H new ATOM 0 HG11 VAL A 23 3.561 12.970 3.342 1.00 15.33 H new ATOM 0 HG12 VAL A 23 3.037 13.871 4.785 1.00 15.33 H new ATOM 0 HG13 VAL A 23 1.846 12.966 3.819 1.00 15.33 H new ATOM 0 HG21 VAL A 23 3.043 13.779 1.122 1.00 25.32 H new ATOM 0 HG22 VAL A 23 1.300 13.799 1.482 1.00 25.32 H new ATOM 0 HG23 VAL A 23 2.107 15.276 0.904 1.00 25.32 H new ATOM 371 N LYS A 24 0.892 15.328 5.845 1.00 60.04 N ATOM 372 CA LYS A 24 1.021 15.454 7.261 1.00 3.02 C ATOM 373 C LYS A 24 2.051 14.437 7.780 1.00 23.21 C ATOM 374 O LYS A 24 2.828 14.719 8.683 1.00 24.34 O ATOM 375 CB LYS A 24 -0.324 15.103 7.912 1.00 60.34 C ATOM 376 CG LYS A 24 -0.425 15.552 9.334 1.00 31.22 C ATOM 377 CD LYS A 24 -0.712 17.025 9.373 1.00 61.14 C ATOM 378 CE LYS A 24 -2.202 17.298 9.212 1.00 62.14 C ATOM 379 NZ LYS A 24 -2.993 16.748 10.337 1.00 74.13 N ATOM 0 H LYS A 24 0.112 14.736 5.560 1.00 60.04 H new ATOM 0 HA LYS A 24 1.330 16.472 7.501 1.00 3.02 H new ATOM 0 HB2 LYS A 24 -1.129 15.559 7.336 1.00 60.34 H new ATOM 0 HB3 LYS A 24 -0.471 14.024 7.867 1.00 60.34 H new ATOM 0 HG2 LYS A 24 -1.216 15.003 9.845 1.00 31.22 H new ATOM 0 HG3 LYS A 24 0.504 15.337 9.861 1.00 31.22 H new ATOM 0 HD2 LYS A 24 -0.363 17.442 10.318 1.00 61.14 H new ATOM 0 HD3 LYS A 24 -0.159 17.527 8.579 1.00 61.14 H new ATOM 0 HE2 LYS A 24 -2.368 18.373 9.144 1.00 62.14 H new ATOM 0 HE3 LYS A 24 -2.551 16.862 8.276 1.00 62.14 H new ATOM 0 HZ1 LYS A 24 -3.881 17.282 10.431 1.00 74.13 H new ATOM 0 HZ2 LYS A 24 -3.209 15.747 10.153 1.00 74.13 H new ATOM 0 HZ3 LYS A 24 -2.446 16.828 11.218 1.00 74.13 H new ATOM 393 N HIS A 25 2.038 13.271 7.162 1.00 23.12 N ATOM 394 CA HIS A 25 2.799 12.115 7.617 1.00 73.52 C ATOM 395 C HIS A 25 3.221 11.258 6.432 1.00 62.11 C ATOM 396 O HIS A 25 2.405 10.980 5.582 1.00 62.32 O ATOM 397 CB HIS A 25 1.874 11.288 8.540 1.00 20.04 C ATOM 398 CG HIS A 25 2.386 9.934 8.950 1.00 5.30 C ATOM 399 ND1 HIS A 25 2.945 9.674 10.170 1.00 62.00 N ATOM 400 CD2 HIS A 25 2.351 8.749 8.289 1.00 32.33 C ATOM 401 CE1 HIS A 25 3.232 8.394 10.255 1.00 52.23 C ATOM 402 NE2 HIS A 25 2.880 7.804 9.125 1.00 32.50 N ATOM 0 H HIS A 25 1.492 13.094 6.318 1.00 23.12 H new ATOM 0 HA HIS A 25 3.697 12.439 8.143 1.00 73.52 H new ATOM 0 HB2 HIS A 25 1.681 11.869 9.442 1.00 20.04 H new ATOM 0 HB3 HIS A 25 0.917 11.154 8.036 1.00 20.04 H new ATOM 0 HD1 HIS A 25 3.113 10.366 10.901 1.00 62.00 H new ATOM 0 HD2 HIS A 25 1.976 8.583 7.290 1.00 32.33 H new ATOM 0 HE1 HIS A 25 3.681 7.905 11.107 1.00 52.23 H new ATOM 411 N LEU A 26 4.470 10.831 6.408 1.00 4.34 N ATOM 412 CA LEU A 26 4.978 9.937 5.362 1.00 73.05 C ATOM 413 C LEU A 26 5.410 8.579 5.907 1.00 11.14 C ATOM 414 O LEU A 26 6.186 8.486 6.871 1.00 52.34 O ATOM 415 CB LEU A 26 6.103 10.590 4.550 1.00 11.44 C ATOM 416 CG LEU A 26 5.662 11.677 3.573 1.00 4.24 C ATOM 417 CD1 LEU A 26 6.851 12.386 2.975 1.00 20.42 C ATOM 418 CD2 LEU A 26 4.837 11.057 2.457 1.00 34.52 C ATOM 0 H LEU A 26 5.166 11.088 7.107 1.00 4.34 H new ATOM 0 HA LEU A 26 4.141 9.756 4.687 1.00 73.05 H new ATOM 0 HB2 LEU A 26 6.825 11.020 5.244 1.00 11.44 H new ATOM 0 HB3 LEU A 26 6.623 9.812 3.991 1.00 11.44 H new ATOM 0 HG LEU A 26 5.064 12.404 4.122 1.00 4.24 H new ATOM 0 HD11 LEU A 26 6.506 13.155 2.283 1.00 20.42 H new ATOM 0 HD12 LEU A 26 7.436 12.849 3.770 1.00 20.42 H new ATOM 0 HD13 LEU A 26 7.471 11.668 2.439 1.00 20.42 H new ATOM 0 HD21 LEU A 26 4.523 11.835 1.761 1.00 34.52 H new ATOM 0 HD22 LEU A 26 5.438 10.318 1.928 1.00 34.52 H new ATOM 0 HD23 LEU A 26 3.957 10.573 2.881 1.00 34.52 H new ATOM 430 N LYS A 27 4.876 7.549 5.304 1.00 25.14 N ATOM 431 CA LYS A 27 5.157 6.172 5.620 1.00 44.41 C ATOM 432 C LYS A 27 5.364 5.424 4.318 1.00 22.13 C ATOM 433 O LYS A 27 4.616 5.618 3.386 1.00 63.35 O ATOM 434 CB LYS A 27 3.943 5.559 6.341 1.00 73.52 C ATOM 435 CG LYS A 27 4.060 4.056 6.613 1.00 75.45 C ATOM 436 CD LYS A 27 5.201 3.723 7.555 1.00 61.34 C ATOM 437 CE LYS A 27 4.936 4.233 8.965 1.00 62.34 C ATOM 438 NZ LYS A 27 3.707 3.651 9.541 1.00 40.54 N ATOM 0 H LYS A 27 4.203 7.652 4.545 1.00 25.14 H new ATOM 0 HA LYS A 27 6.040 6.105 6.256 1.00 44.41 H new ATOM 0 HB2 LYS A 27 3.799 6.077 7.289 1.00 73.52 H new ATOM 0 HB3 LYS A 27 3.051 5.739 5.741 1.00 73.52 H new ATOM 0 HG2 LYS A 27 3.124 3.693 7.038 1.00 75.45 H new ATOM 0 HG3 LYS A 27 4.207 3.530 5.670 1.00 75.45 H new ATOM 0 HD2 LYS A 27 5.348 2.643 7.580 1.00 61.34 H new ATOM 0 HD3 LYS A 27 6.124 4.162 7.177 1.00 61.34 H new ATOM 0 HE2 LYS A 27 5.786 3.991 9.604 1.00 62.34 H new ATOM 0 HE3 LYS A 27 4.849 5.319 8.947 1.00 62.34 H new ATOM 0 HZ1 LYS A 27 3.726 3.754 10.576 1.00 40.54 H new ATOM 0 HZ2 LYS A 27 2.876 4.146 9.159 1.00 40.54 H new ATOM 0 HZ3 LYS A 27 3.652 2.642 9.295 1.00 40.54 H new ATOM 452 N ILE A 28 6.370 4.599 4.234 1.00 44.35 N ATOM 453 CA ILE A 28 6.551 3.812 3.033 1.00 35.24 C ATOM 454 C ILE A 28 6.286 2.352 3.367 1.00 42.15 C ATOM 455 O ILE A 28 6.968 1.775 4.223 1.00 60.44 O ATOM 456 CB ILE A 28 7.963 3.964 2.428 1.00 63.42 C ATOM 457 CG1 ILE A 28 8.326 5.431 2.378 1.00 74.23 C ATOM 458 CG2 ILE A 28 7.966 3.441 1.012 1.00 51.11 C ATOM 459 CD1 ILE A 28 9.586 5.719 1.612 1.00 23.33 C ATOM 0 H ILE A 28 7.068 4.451 4.963 1.00 44.35 H new ATOM 0 HA ILE A 28 5.849 4.175 2.283 1.00 35.24 H new ATOM 0 HB ILE A 28 8.674 3.409 3.040 1.00 63.42 H new ATOM 0 HG12 ILE A 28 7.503 5.984 1.926 1.00 74.23 H new ATOM 0 HG13 ILE A 28 8.438 5.803 3.397 1.00 74.23 H new ATOM 0 HG21 ILE A 28 8.964 3.549 0.586 1.00 51.11 H new ATOM 0 HG22 ILE A 28 7.684 2.388 1.012 1.00 51.11 H new ATOM 0 HG23 ILE A 28 7.253 4.008 0.413 1.00 51.11 H new ATOM 0 HD11 ILE A 28 9.780 6.792 1.621 1.00 23.33 H new ATOM 0 HD12 ILE A 28 10.422 5.195 2.076 1.00 23.33 H new ATOM 0 HD13 ILE A 28 9.472 5.379 0.583 1.00 23.33 H new ATOM 471 N LEU A 29 5.310 1.769 2.725 1.00 44.34 N ATOM 472 CA LEU A 29 4.904 0.433 3.008 1.00 21.43 C ATOM 473 C LEU A 29 5.238 -0.476 1.813 1.00 4.10 C ATOM 474 O LEU A 29 4.729 -0.288 0.699 1.00 43.44 O ATOM 475 CB LEU A 29 3.386 0.465 3.312 1.00 51.20 C ATOM 476 CG LEU A 29 2.743 -0.774 3.942 1.00 74.22 C ATOM 477 CD1 LEU A 29 1.333 -0.443 4.393 1.00 11.14 C ATOM 478 CD2 LEU A 29 2.700 -1.964 2.994 1.00 22.44 C ATOM 0 H LEU A 29 4.773 2.219 1.984 1.00 44.34 H new ATOM 0 HA LEU A 29 5.433 0.027 3.870 1.00 21.43 H new ATOM 0 HB2 LEU A 29 3.198 1.310 3.975 1.00 51.20 H new ATOM 0 HB3 LEU A 29 2.864 0.671 2.377 1.00 51.20 H new ATOM 0 HG LEU A 29 3.364 -1.057 4.792 1.00 74.22 H new ATOM 0 HD11 LEU A 29 0.878 -1.326 4.841 1.00 11.14 H new ATOM 0 HD12 LEU A 29 1.365 0.361 5.128 1.00 11.14 H new ATOM 0 HD13 LEU A 29 0.741 -0.126 3.534 1.00 11.14 H new ATOM 0 HD21 LEU A 29 2.234 -2.812 3.496 1.00 22.44 H new ATOM 0 HD22 LEU A 29 2.121 -1.703 2.108 1.00 22.44 H new ATOM 0 HD23 LEU A 29 3.715 -2.230 2.698 1.00 22.44 H new ATOM 490 N ASN A 30 6.094 -1.430 2.044 1.00 75.44 N ATOM 491 CA ASN A 30 6.471 -2.387 1.022 1.00 64.54 C ATOM 492 C ASN A 30 5.660 -3.644 1.152 1.00 52.11 C ATOM 493 O ASN A 30 5.464 -4.158 2.250 1.00 52.52 O ATOM 494 CB ASN A 30 7.976 -2.731 1.096 1.00 13.41 C ATOM 495 CG ASN A 30 8.374 -3.878 0.165 1.00 72.43 C ATOM 496 OD1 ASN A 30 8.342 -5.048 0.546 1.00 42.53 O ATOM 497 ND2 ASN A 30 8.750 -3.560 -1.037 1.00 40.22 N ATOM 0 H ASN A 30 6.555 -1.573 2.943 1.00 75.44 H new ATOM 0 HA ASN A 30 6.271 -1.926 0.055 1.00 64.54 H new ATOM 0 HB2 ASN A 30 8.558 -1.845 0.842 1.00 13.41 H new ATOM 0 HB3 ASN A 30 8.232 -2.997 2.121 1.00 13.41 H new ATOM 0 HD21 ASN A 30 9.029 -4.289 -1.694 1.00 40.22 H new ATOM 0 HD22 ASN A 30 8.766 -2.581 -1.324 1.00 40.22 H new ATOM 504 N THR A 31 5.162 -4.113 0.058 1.00 10.44 N ATOM 505 CA THR A 31 4.483 -5.359 0.029 1.00 63.32 C ATOM 506 C THR A 31 5.179 -6.224 -1.015 1.00 74.03 C ATOM 507 O THR A 31 5.302 -5.803 -2.165 1.00 32.43 O ATOM 508 CB THR A 31 3.018 -5.176 -0.371 1.00 31.00 C ATOM 509 OG1 THR A 31 2.410 -4.184 0.471 1.00 53.25 O ATOM 510 CG2 THR A 31 2.259 -6.495 -0.235 1.00 3.04 C ATOM 0 H THR A 31 5.216 -3.639 -0.844 1.00 10.44 H new ATOM 0 HA THR A 31 4.507 -5.818 1.017 1.00 63.32 H new ATOM 0 HB THR A 31 2.976 -4.852 -1.411 1.00 31.00 H new ATOM 0 HG1 THR A 31 1.500 -4.465 0.703 1.00 53.25 H new ATOM 0 HG21 THR A 31 1.218 -6.347 -0.523 1.00 3.04 H new ATOM 0 HG22 THR A 31 2.713 -7.244 -0.884 1.00 3.04 H new ATOM 0 HG23 THR A 31 2.304 -6.836 0.799 1.00 3.04 H new ATOM 518 N PRO A 32 5.643 -7.430 -0.634 1.00 44.43 N ATOM 519 CA PRO A 32 6.385 -8.331 -1.526 1.00 52.33 C ATOM 520 C PRO A 32 5.726 -8.503 -2.891 1.00 14.04 C ATOM 521 O PRO A 32 6.376 -8.356 -3.921 1.00 34.52 O ATOM 522 CB PRO A 32 6.371 -9.660 -0.777 1.00 51.42 C ATOM 523 CG PRO A 32 6.276 -9.282 0.653 1.00 24.21 C ATOM 524 CD PRO A 32 5.476 -8.014 0.710 1.00 2.13 C ATOM 0 HA PRO A 32 7.380 -7.941 -1.740 1.00 52.33 H new ATOM 0 HB2 PRO A 32 5.526 -10.277 -1.081 1.00 51.42 H new ATOM 0 HB3 PRO A 32 7.274 -10.237 -0.976 1.00 51.42 H new ATOM 0 HG2 PRO A 32 5.794 -10.070 1.231 1.00 24.21 H new ATOM 0 HG3 PRO A 32 7.267 -9.134 1.081 1.00 24.21 H new ATOM 0 HD2 PRO A 32 4.427 -8.213 0.932 1.00 2.13 H new ATOM 0 HD3 PRO A 32 5.845 -7.343 1.486 1.00 2.13 H new ATOM 532 N ASN A 33 4.438 -8.778 -2.895 1.00 62.01 N ATOM 533 CA ASN A 33 3.741 -9.028 -4.146 1.00 33.52 C ATOM 534 C ASN A 33 2.837 -7.874 -4.566 1.00 60.13 C ATOM 535 O ASN A 33 1.971 -8.045 -5.419 1.00 22.44 O ATOM 536 CB ASN A 33 2.951 -10.343 -4.085 1.00 71.32 C ATOM 537 CG ASN A 33 3.843 -11.565 -3.918 1.00 44.15 C ATOM 538 OD1 ASN A 33 4.306 -12.145 -4.896 1.00 71.23 O ATOM 539 ND2 ASN A 33 4.071 -11.977 -2.696 1.00 1.22 N ATOM 0 H ASN A 33 3.856 -8.834 -2.059 1.00 62.01 H new ATOM 0 HA ASN A 33 4.511 -9.117 -4.912 1.00 33.52 H new ATOM 0 HB2 ASN A 33 2.246 -10.299 -3.255 1.00 71.32 H new ATOM 0 HB3 ASN A 33 2.364 -10.450 -4.997 1.00 71.32 H new ATOM 0 HD21 ASN A 33 4.648 -12.802 -2.535 1.00 1.22 H new ATOM 0 HD22 ASN A 33 3.671 -11.472 -1.905 1.00 1.22 H new ATOM 546 N CYS A 34 3.053 -6.696 -4.004 1.00 54.41 N ATOM 547 CA CYS A 34 2.265 -5.517 -4.403 1.00 13.40 C ATOM 548 C CYS A 34 3.133 -4.282 -4.580 1.00 73.35 C ATOM 549 O CYS A 34 2.602 -3.168 -4.714 1.00 10.23 O ATOM 550 CB CYS A 34 1.125 -5.202 -3.429 1.00 25.42 C ATOM 551 SG CYS A 34 -0.234 -6.414 -3.335 1.00 30.43 S ATOM 0 H CYS A 34 3.752 -6.521 -3.282 1.00 54.41 H new ATOM 0 HA CYS A 34 1.825 -5.782 -5.364 1.00 13.40 H new ATOM 0 HB2 CYS A 34 1.551 -5.091 -2.432 1.00 25.42 H new ATOM 0 HB3 CYS A 34 0.701 -4.236 -3.704 1.00 25.42 H new ATOM 556 N ALA A 35 4.462 -4.478 -4.608 1.00 23.40 N ATOM 557 CA ALA A 35 5.433 -3.391 -4.822 1.00 42.15 C ATOM 558 C ALA A 35 5.445 -2.398 -3.663 1.00 4.25 C ATOM 559 O ALA A 35 4.984 -2.699 -2.544 1.00 51.42 O ATOM 560 CB ALA A 35 5.116 -2.662 -6.119 1.00 12.23 C ATOM 0 H ALA A 35 4.893 -5.394 -4.483 1.00 23.40 H new ATOM 0 HA ALA A 35 6.423 -3.843 -4.882 1.00 42.15 H new ATOM 0 HB1 ALA A 35 5.838 -1.859 -6.271 1.00 12.23 H new ATOM 0 HB2 ALA A 35 5.171 -3.362 -6.953 1.00 12.23 H new ATOM 0 HB3 ALA A 35 4.112 -2.241 -6.064 1.00 12.23 H new ATOM 566 N LEU A 36 6.021 -1.240 -3.917 1.00 74.12 N ATOM 567 CA LEU A 36 6.029 -0.172 -2.964 1.00 0.12 C ATOM 568 C LEU A 36 4.783 0.627 -3.033 1.00 73.31 C ATOM 569 O LEU A 36 4.187 0.823 -4.101 1.00 53.32 O ATOM 570 CB LEU A 36 7.246 0.752 -3.092 1.00 12.14 C ATOM 571 CG LEU A 36 8.545 0.293 -2.429 1.00 51.23 C ATOM 572 CD1 LEU A 36 8.379 0.216 -0.924 1.00 11.24 C ATOM 573 CD2 LEU A 36 9.011 -1.029 -2.973 1.00 65.44 C ATOM 0 H LEU A 36 6.495 -1.023 -4.794 1.00 74.12 H new ATOM 0 HA LEU A 36 6.094 -0.656 -1.990 1.00 0.12 H new ATOM 0 HB2 LEU A 36 7.444 0.905 -4.153 1.00 12.14 H new ATOM 0 HB3 LEU A 36 6.978 1.723 -2.675 1.00 12.14 H new ATOM 0 HG LEU A 36 9.309 1.035 -2.661 1.00 51.23 H new ATOM 0 HD11 LEU A 36 9.314 -0.112 -0.471 1.00 11.24 H new ATOM 0 HD12 LEU A 36 8.114 1.200 -0.536 1.00 11.24 H new ATOM 0 HD13 LEU A 36 7.589 -0.495 -0.681 1.00 11.24 H new ATOM 0 HD21 LEU A 36 9.937 -1.321 -2.477 1.00 65.44 H new ATOM 0 HD22 LEU A 36 8.248 -1.786 -2.792 1.00 65.44 H new ATOM 0 HD23 LEU A 36 9.187 -0.940 -4.045 1.00 65.44 H new ATOM 585 N GLN A 37 4.396 1.072 -1.898 1.00 53.34 N ATOM 586 CA GLN A 37 3.231 1.895 -1.709 1.00 52.33 C ATOM 587 C GLN A 37 3.535 2.880 -0.622 1.00 12.50 C ATOM 588 O GLN A 37 3.964 2.498 0.463 1.00 34.32 O ATOM 589 CB GLN A 37 2.006 1.053 -1.326 1.00 14.35 C ATOM 590 CG GLN A 37 1.506 0.119 -2.427 1.00 73.40 C ATOM 591 CD GLN A 37 1.491 -1.346 -2.025 1.00 11.52 C ATOM 592 OE1 GLN A 37 0.650 -2.110 -2.483 1.00 72.25 O ATOM 593 NE2 GLN A 37 2.427 -1.753 -1.218 1.00 41.12 N ATOM 0 H GLN A 37 4.893 0.873 -1.030 1.00 53.34 H new ATOM 0 HA GLN A 37 2.994 2.407 -2.642 1.00 52.33 H new ATOM 0 HB2 GLN A 37 2.251 0.458 -0.447 1.00 14.35 H new ATOM 0 HB3 GLN A 37 1.195 1.724 -1.041 1.00 14.35 H new ATOM 0 HG2 GLN A 37 0.498 0.418 -2.715 1.00 73.40 H new ATOM 0 HG3 GLN A 37 2.138 0.239 -3.307 1.00 73.40 H new ATOM 0 HE21 GLN A 37 3.112 -1.090 -0.855 1.00 41.12 H new ATOM 0 HE22 GLN A 37 2.476 -2.735 -0.948 1.00 41.12 H new ATOM 602 N ILE A 38 3.360 4.124 -0.893 1.00 24.51 N ATOM 603 CA ILE A 38 3.674 5.116 0.087 1.00 44.20 C ATOM 604 C ILE A 38 2.392 5.634 0.681 1.00 74.20 C ATOM 605 O ILE A 38 1.399 5.753 -0.009 1.00 65.22 O ATOM 606 CB ILE A 38 4.544 6.248 -0.517 1.00 34.21 C ATOM 607 CG1 ILE A 38 5.725 5.588 -1.225 1.00 12.43 C ATOM 608 CG2 ILE A 38 5.043 7.191 0.579 1.00 64.11 C ATOM 609 CD1 ILE A 38 6.795 6.517 -1.706 1.00 21.41 C ATOM 0 H ILE A 38 3.003 4.484 -1.778 1.00 24.51 H new ATOM 0 HA ILE A 38 4.271 4.671 0.883 1.00 44.20 H new ATOM 0 HB ILE A 38 3.957 6.843 -1.217 1.00 34.21 H new ATOM 0 HG12 ILE A 38 6.176 4.866 -0.544 1.00 12.43 H new ATOM 0 HG13 ILE A 38 5.346 5.027 -2.079 1.00 12.43 H new ATOM 0 HG21 ILE A 38 5.651 7.978 0.133 1.00 64.11 H new ATOM 0 HG22 ILE A 38 4.190 7.638 1.091 1.00 64.11 H new ATOM 0 HG23 ILE A 38 5.643 6.631 1.296 1.00 64.11 H new ATOM 0 HD11 ILE A 38 7.583 5.943 -2.193 1.00 21.41 H new ATOM 0 HD12 ILE A 38 6.370 7.225 -2.417 1.00 21.41 H new ATOM 0 HD13 ILE A 38 7.212 7.061 -0.859 1.00 21.41 H new ATOM 621 N VAL A 39 2.407 5.890 1.943 1.00 34.11 N ATOM 622 CA VAL A 39 1.231 6.311 2.658 1.00 11.14 C ATOM 623 C VAL A 39 1.459 7.681 3.275 1.00 10.34 C ATOM 624 O VAL A 39 2.479 7.917 3.934 1.00 10.53 O ATOM 625 CB VAL A 39 0.861 5.281 3.770 1.00 25.02 C ATOM 626 CG1 VAL A 39 -0.356 5.719 4.557 1.00 71.51 C ATOM 627 CG2 VAL A 39 0.644 3.894 3.185 1.00 54.44 C ATOM 0 H VAL A 39 3.242 5.815 2.524 1.00 34.11 H new ATOM 0 HA VAL A 39 0.402 6.369 1.952 1.00 11.14 H new ATOM 0 HB VAL A 39 1.706 5.236 4.458 1.00 25.02 H new ATOM 0 HG11 VAL A 39 -0.582 4.976 5.322 1.00 71.51 H new ATOM 0 HG12 VAL A 39 -0.156 6.679 5.032 1.00 71.51 H new ATOM 0 HG13 VAL A 39 -1.208 5.818 3.884 1.00 71.51 H new ATOM 0 HG21 VAL A 39 0.388 3.198 3.984 1.00 54.44 H new ATOM 0 HG22 VAL A 39 -0.168 3.928 2.459 1.00 54.44 H new ATOM 0 HG23 VAL A 39 1.557 3.560 2.692 1.00 54.44 H new ATOM 637 N ALA A 40 0.530 8.573 3.055 1.00 32.35 N ATOM 638 CA ALA A 40 0.607 9.905 3.591 1.00 51.21 C ATOM 639 C ALA A 40 -0.721 10.334 4.120 1.00 72.22 C ATOM 640 O ALA A 40 -1.729 9.807 3.744 1.00 5.40 O ATOM 641 CB ALA A 40 1.017 10.848 2.522 1.00 2.42 C ATOM 0 H ALA A 40 -0.305 8.395 2.497 1.00 32.35 H new ATOM 0 HA ALA A 40 1.337 9.908 4.400 1.00 51.21 H new ATOM 0 HB1 ALA A 40 1.075 11.857 2.930 1.00 2.42 H new ATOM 0 HB2 ALA A 40 1.993 10.557 2.134 1.00 2.42 H new ATOM 0 HB3 ALA A 40 0.285 10.824 1.715 1.00 2.42 H new ATOM 647 N ARG A 41 -0.728 11.274 5.006 1.00 25.13 N ATOM 648 CA ARG A 41 -1.960 11.793 5.469 1.00 60.33 C ATOM 649 C ARG A 41 -2.120 13.220 5.031 1.00 14.22 C ATOM 650 O ARG A 41 -1.203 13.992 5.118 1.00 31.01 O ATOM 651 CB ARG A 41 -2.126 11.611 6.947 1.00 40.41 C ATOM 652 CG ARG A 41 -3.512 11.926 7.416 1.00 65.01 C ATOM 653 CD ARG A 41 -3.714 11.390 8.772 1.00 63.21 C ATOM 654 NE ARG A 41 -5.095 11.543 9.216 1.00 33.15 N ATOM 655 CZ ARG A 41 -5.694 10.792 10.141 1.00 71.33 C ATOM 656 NH1 ARG A 41 -5.014 9.844 10.787 1.00 13.32 N ATOM 657 NH2 ARG A 41 -6.975 11.003 10.419 1.00 51.02 N ATOM 0 H ARG A 41 0.105 11.693 5.419 1.00 25.13 H new ATOM 0 HA ARG A 41 -2.769 11.221 5.014 1.00 60.33 H new ATOM 0 HB2 ARG A 41 -1.882 10.582 7.212 1.00 40.41 H new ATOM 0 HB3 ARG A 41 -1.416 12.251 7.470 1.00 40.41 H new ATOM 0 HG2 ARG A 41 -3.670 13.004 7.414 1.00 65.01 H new ATOM 0 HG3 ARG A 41 -4.244 11.496 6.732 1.00 65.01 H new ATOM 0 HD2 ARG A 41 -3.442 10.335 8.790 1.00 63.21 H new ATOM 0 HD3 ARG A 41 -3.050 11.903 9.468 1.00 63.21 H new ATOM 0 HE ARG A 41 -5.647 12.284 8.784 1.00 33.15 H new ATOM 0 HH11 ARG A 41 -4.028 9.689 10.575 1.00 13.32 H new ATOM 0 HH12 ARG A 41 -5.480 9.274 11.493 1.00 13.32 H new ATOM 0 HH21 ARG A 41 -7.490 11.733 9.927 1.00 51.02 H new ATOM 0 HH22 ARG A 41 -7.444 10.435 11.125 1.00 51.02 H new ATOM 671 N LEU A 42 -3.264 13.539 4.527 1.00 43.13 N ATOM 672 CA LEU A 42 -3.528 14.854 3.970 1.00 14.22 C ATOM 673 C LEU A 42 -3.797 15.905 5.036 1.00 2.12 C ATOM 674 O LEU A 42 -4.502 15.649 5.991 1.00 1.44 O ATOM 675 CB LEU A 42 -4.706 14.782 2.975 1.00 4.22 C ATOM 676 CG LEU A 42 -4.479 13.894 1.764 1.00 55.33 C ATOM 677 CD1 LEU A 42 -5.637 13.989 0.823 1.00 51.14 C ATOM 678 CD2 LEU A 42 -3.199 14.265 1.063 1.00 31.23 C ATOM 0 H LEU A 42 -4.059 12.901 4.482 1.00 43.13 H new ATOM 0 HA LEU A 42 -2.624 15.165 3.446 1.00 14.22 H new ATOM 0 HB2 LEU A 42 -5.588 14.425 3.507 1.00 4.22 H new ATOM 0 HB3 LEU A 42 -4.930 15.791 2.628 1.00 4.22 H new ATOM 0 HG LEU A 42 -4.394 12.863 2.107 1.00 55.33 H new ATOM 0 HD11 LEU A 42 -5.459 13.347 -0.039 1.00 51.14 H new ATOM 0 HD12 LEU A 42 -6.546 13.669 1.332 1.00 51.14 H new ATOM 0 HD13 LEU A 42 -5.751 15.020 0.490 1.00 51.14 H new ATOM 0 HD21 LEU A 42 -3.056 13.616 0.199 1.00 31.23 H new ATOM 0 HD22 LEU A 42 -3.252 15.303 0.733 1.00 31.23 H new ATOM 0 HD23 LEU A 42 -2.360 14.145 1.749 1.00 31.23 H new ATOM 690 N LYS A 43 -3.197 17.075 4.878 1.00 33.54 N ATOM 691 CA LYS A 43 -3.495 18.207 5.734 1.00 23.42 C ATOM 692 C LYS A 43 -4.830 18.814 5.371 1.00 60.51 C ATOM 693 O LYS A 43 -5.624 19.170 6.236 1.00 12.32 O ATOM 694 CB LYS A 43 -2.456 19.302 5.589 1.00 72.05 C ATOM 695 CG LYS A 43 -1.122 18.937 6.124 1.00 24.44 C ATOM 696 CD LYS A 43 -0.290 20.165 6.302 1.00 52.04 C ATOM 697 CE LYS A 43 0.959 19.840 7.048 1.00 14.42 C ATOM 698 NZ LYS A 43 1.944 19.105 6.238 1.00 12.13 N ATOM 0 H LYS A 43 -2.497 17.263 4.160 1.00 33.54 H new ATOM 0 HA LYS A 43 -3.503 17.828 6.756 1.00 23.42 H new ATOM 0 HB2 LYS A 43 -2.356 19.558 4.534 1.00 72.05 H new ATOM 0 HB3 LYS A 43 -2.810 20.196 6.102 1.00 72.05 H new ATOM 0 HG2 LYS A 43 -1.232 18.421 7.078 1.00 24.44 H new ATOM 0 HG3 LYS A 43 -0.625 18.246 5.443 1.00 24.44 H new ATOM 0 HD2 LYS A 43 -0.041 20.588 5.329 1.00 52.04 H new ATOM 0 HD3 LYS A 43 -0.858 20.922 6.843 1.00 52.04 H new ATOM 0 HE2 LYS A 43 1.411 20.765 7.407 1.00 14.42 H new ATOM 0 HE3 LYS A 43 0.706 19.247 7.927 1.00 14.42 H new ATOM 0 HZ1 LYS A 43 2.881 19.173 6.685 1.00 12.13 H new ATOM 0 HZ2 LYS A 43 1.663 18.106 6.172 1.00 12.13 H new ATOM 0 HZ3 LYS A 43 1.985 19.517 5.284 1.00 12.13 H new ATOM 712 N ASN A 44 -5.077 18.896 4.076 1.00 4.44 N ATOM 713 CA ASN A 44 -6.287 19.522 3.539 1.00 23.11 C ATOM 714 C ASN A 44 -7.514 18.670 3.803 1.00 52.21 C ATOM 715 O ASN A 44 -8.550 19.167 4.251 1.00 14.03 O ATOM 716 CB ASN A 44 -6.132 19.740 2.026 1.00 4.13 C ATOM 717 CG ASN A 44 -7.345 20.397 1.374 1.00 42.22 C ATOM 718 OD1 ASN A 44 -8.039 21.207 1.983 1.00 34.51 O ATOM 719 ND2 ASN A 44 -7.609 20.031 0.142 1.00 52.42 N ATOM 0 H ASN A 44 -4.448 18.532 3.360 1.00 4.44 H new ATOM 0 HA ASN A 44 -6.421 20.480 4.041 1.00 23.11 H new ATOM 0 HB2 ASN A 44 -5.253 20.359 1.845 1.00 4.13 H new ATOM 0 HB3 ASN A 44 -5.949 18.779 1.546 1.00 4.13 H new ATOM 0 HD21 ASN A 44 -8.416 20.422 -0.345 1.00 52.42 H new ATOM 0 HD22 ASN A 44 -7.008 19.355 -0.329 1.00 52.42 H new ATOM 726 N ASN A 45 -7.389 17.392 3.567 1.00 31.42 N ATOM 727 CA ASN A 45 -8.528 16.484 3.702 1.00 24.12 C ATOM 728 C ASN A 45 -8.535 15.824 5.047 1.00 40.12 C ATOM 729 O ASN A 45 -9.543 15.258 5.462 1.00 55.25 O ATOM 730 CB ASN A 45 -8.501 15.391 2.636 1.00 1.35 C ATOM 731 CG ASN A 45 -8.557 15.891 1.204 1.00 2.34 C ATOM 732 OD1 ASN A 45 -8.072 16.964 0.871 1.00 31.35 O ATOM 733 ND2 ASN A 45 -9.131 15.111 0.361 1.00 33.12 N ATOM 0 H ASN A 45 -6.519 16.944 3.280 1.00 31.42 H new ATOM 0 HA ASN A 45 -9.425 17.091 3.580 1.00 24.12 H new ATOM 0 HB2 ASN A 45 -7.593 14.802 2.764 1.00 1.35 H new ATOM 0 HB3 ASN A 45 -9.343 14.720 2.804 1.00 1.35 H new ATOM 0 HD21 ASN A 45 -9.193 15.379 -0.621 1.00 33.12 H new ATOM 0 HD22 ASN A 45 -9.525 14.223 0.674 1.00 33.12 H new ATOM 740 N ASN A 46 -7.381 15.854 5.707 1.00 74.52 N ATOM 741 CA ASN A 46 -7.173 15.253 7.038 1.00 64.31 C ATOM 742 C ASN A 46 -7.208 13.707 6.980 1.00 24.32 C ATOM 743 O ASN A 46 -7.065 13.028 7.995 1.00 24.21 O ATOM 744 CB ASN A 46 -8.167 15.857 8.082 1.00 12.32 C ATOM 745 CG ASN A 46 -7.990 15.352 9.521 1.00 50.33 C ATOM 746 OD1 ASN A 46 -7.197 15.905 10.293 1.00 1.32 O ATOM 747 ND2 ASN A 46 -8.745 14.350 9.905 1.00 14.12 N ATOM 0 H ASN A 46 -6.545 16.302 5.333 1.00 74.52 H new ATOM 0 HA ASN A 46 -6.170 15.510 7.379 1.00 64.31 H new ATOM 0 HB2 ASN A 46 -8.058 16.942 8.079 1.00 12.32 H new ATOM 0 HB3 ASN A 46 -9.185 15.638 7.760 1.00 12.32 H new ATOM 0 HD21 ASN A 46 -8.688 14.006 10.864 1.00 14.12 H new ATOM 0 HD22 ASN A 46 -9.389 13.915 9.245 1.00 14.12 H new ATOM 754 N ARG A 47 -7.320 13.142 5.779 1.00 44.25 N ATOM 755 CA ARG A 47 -7.437 11.710 5.675 1.00 72.13 C ATOM 756 C ARG A 47 -6.124 11.092 5.266 1.00 11.32 C ATOM 757 O ARG A 47 -5.309 11.741 4.604 1.00 53.33 O ATOM 758 CB ARG A 47 -8.530 11.290 4.705 1.00 53.10 C ATOM 759 CG ARG A 47 -8.201 11.440 3.248 1.00 34.33 C ATOM 760 CD ARG A 47 -9.265 10.757 2.399 1.00 52.34 C ATOM 761 NE ARG A 47 -8.953 10.762 0.963 1.00 2.43 N ATOM 762 CZ ARG A 47 -9.210 9.743 0.120 1.00 44.25 C ATOM 763 NH1 ARG A 47 -9.726 8.604 0.580 1.00 25.01 N ATOM 764 NH2 ARG A 47 -8.927 9.860 -1.174 1.00 34.41 N ATOM 0 H ARG A 47 -7.331 13.647 4.893 1.00 44.25 H new ATOM 0 HA ARG A 47 -7.713 11.346 6.665 1.00 72.13 H new ATOM 0 HB2 ARG A 47 -8.779 10.246 4.897 1.00 53.10 H new ATOM 0 HB3 ARG A 47 -9.424 11.875 4.919 1.00 53.10 H new ATOM 0 HG2 ARG A 47 -8.140 12.497 2.988 1.00 34.33 H new ATOM 0 HG3 ARG A 47 -7.224 11.004 3.041 1.00 34.33 H new ATOM 0 HD2 ARG A 47 -9.382 9.727 2.735 1.00 52.34 H new ATOM 0 HD3 ARG A 47 -10.222 11.255 2.558 1.00 52.34 H new ATOM 0 HE ARG A 47 -8.510 11.596 0.577 1.00 2.43 H new ATOM 0 HH11 ARG A 47 -9.928 8.501 1.574 1.00 25.01 H new ATOM 0 HH12 ARG A 47 -9.919 7.835 -0.062 1.00 25.01 H new ATOM 0 HH21 ARG A 47 -8.515 10.722 -1.530 1.00 34.41 H new ATOM 0 HH22 ARG A 47 -9.122 9.087 -1.811 1.00 34.41 H new ATOM 778 N GLN A 48 -5.905 9.866 5.665 1.00 25.03 N ATOM 779 CA GLN A 48 -4.728 9.166 5.323 1.00 40.45 C ATOM 780 C GLN A 48 -4.928 8.472 3.977 1.00 42.14 C ATOM 781 O GLN A 48 -5.885 7.711 3.794 1.00 55.33 O ATOM 782 CB GLN A 48 -4.370 8.190 6.434 1.00 62.40 C ATOM 783 CG GLN A 48 -3.041 7.530 6.244 1.00 22.14 C ATOM 784 CD GLN A 48 -2.614 6.658 7.417 1.00 72.40 C ATOM 785 OE1 GLN A 48 -1.418 6.504 7.692 1.00 50.02 O ATOM 786 NE2 GLN A 48 -3.563 6.095 8.118 1.00 31.22 N ATOM 0 H GLN A 48 -6.556 9.333 6.242 1.00 25.03 H new ATOM 0 HA GLN A 48 -3.890 9.855 5.218 1.00 40.45 H new ATOM 0 HB2 GLN A 48 -4.371 8.720 7.386 1.00 62.40 H new ATOM 0 HB3 GLN A 48 -5.142 7.423 6.496 1.00 62.40 H new ATOM 0 HG2 GLN A 48 -3.075 6.918 5.342 1.00 22.14 H new ATOM 0 HG3 GLN A 48 -2.285 8.298 6.080 1.00 22.14 H new ATOM 0 HE21 GLN A 48 -4.540 6.242 7.865 1.00 31.22 H new ATOM 0 HE22 GLN A 48 -3.326 5.509 8.918 1.00 31.22 H new ATOM 795 N VAL A 49 -4.036 8.757 3.063 1.00 74.22 N ATOM 796 CA VAL A 49 -4.104 8.300 1.691 1.00 1.45 C ATOM 797 C VAL A 49 -2.872 7.541 1.273 1.00 11.11 C ATOM 798 O VAL A 49 -1.862 7.510 1.978 1.00 55.23 O ATOM 799 CB VAL A 49 -4.262 9.481 0.709 1.00 71.23 C ATOM 800 CG1 VAL A 49 -5.622 10.113 0.830 1.00 41.35 C ATOM 801 CG2 VAL A 49 -3.180 10.532 0.951 1.00 3.14 C ATOM 0 H VAL A 49 -3.215 9.331 3.255 1.00 74.22 H new ATOM 0 HA VAL A 49 -4.973 7.643 1.652 1.00 1.45 H new ATOM 0 HB VAL A 49 -4.154 9.085 -0.301 1.00 71.23 H new ATOM 0 HG11 VAL A 49 -5.702 10.941 0.126 1.00 41.35 H new ATOM 0 HG12 VAL A 49 -6.389 9.371 0.607 1.00 41.35 H new ATOM 0 HG13 VAL A 49 -5.761 10.485 1.845 1.00 41.35 H new ATOM 0 HG21 VAL A 49 -3.309 11.356 0.249 1.00 3.14 H new ATOM 0 HG22 VAL A 49 -3.260 10.909 1.971 1.00 3.14 H new ATOM 0 HG23 VAL A 49 -2.197 10.083 0.806 1.00 3.14 H new ATOM 811 N CYS A 50 -2.957 6.958 0.114 1.00 25.43 N ATOM 812 CA CYS A 50 -1.862 6.262 -0.465 1.00 23.20 C ATOM 813 C CYS A 50 -1.313 7.074 -1.633 1.00 61.03 C ATOM 814 O CYS A 50 -2.074 7.641 -2.442 1.00 24.12 O ATOM 815 CB CYS A 50 -2.297 4.876 -0.913 1.00 14.32 C ATOM 816 SG CYS A 50 -2.944 3.832 0.437 1.00 15.43 S ATOM 0 H CYS A 50 -3.802 6.956 -0.458 1.00 25.43 H new ATOM 0 HA CYS A 50 -1.072 6.137 0.276 1.00 23.20 H new ATOM 0 HB2 CYS A 50 -3.064 4.977 -1.681 1.00 14.32 H new ATOM 0 HB3 CYS A 50 -1.449 4.371 -1.375 1.00 14.32 H new ATOM 821 N ILE A 51 -0.027 7.146 -1.707 1.00 3.12 N ATOM 822 CA ILE A 51 0.660 7.912 -2.697 1.00 53.45 C ATOM 823 C ILE A 51 1.241 7.018 -3.799 1.00 4.21 C ATOM 824 O ILE A 51 1.751 5.924 -3.527 1.00 75.13 O ATOM 825 CB ILE A 51 1.804 8.728 -2.055 1.00 5.44 C ATOM 826 CG1 ILE A 51 1.282 9.758 -1.069 1.00 33.42 C ATOM 827 CG2 ILE A 51 2.616 9.412 -3.093 1.00 42.43 C ATOM 828 CD1 ILE A 51 2.387 10.580 -0.442 1.00 45.20 C ATOM 0 H ILE A 51 0.596 6.660 -1.062 1.00 3.12 H new ATOM 0 HA ILE A 51 -0.070 8.588 -3.143 1.00 53.45 H new ATOM 0 HB ILE A 51 2.429 8.018 -1.514 1.00 5.44 H new ATOM 0 HG12 ILE A 51 0.585 10.423 -1.579 1.00 33.42 H new ATOM 0 HG13 ILE A 51 0.721 9.251 -0.283 1.00 33.42 H new ATOM 0 HG21 ILE A 51 3.414 9.979 -2.615 1.00 42.43 H new ATOM 0 HG22 ILE A 51 3.049 8.670 -3.763 1.00 42.43 H new ATOM 0 HG23 ILE A 51 1.981 10.090 -3.664 1.00 42.43 H new ATOM 0 HD11 ILE A 51 1.955 11.299 0.254 1.00 45.20 H new ATOM 0 HD12 ILE A 51 3.071 9.922 0.094 1.00 45.20 H new ATOM 0 HD13 ILE A 51 2.932 11.112 -1.222 1.00 45.20 H new ATOM 840 N ASP A 52 1.144 7.505 -5.026 1.00 21.32 N ATOM 841 CA ASP A 52 1.697 6.848 -6.204 1.00 53.30 C ATOM 842 C ASP A 52 3.219 7.035 -6.239 1.00 54.11 C ATOM 843 O ASP A 52 3.714 8.163 -6.117 1.00 4.32 O ATOM 844 CB ASP A 52 1.063 7.451 -7.457 1.00 30.04 C ATOM 845 CG ASP A 52 1.618 6.904 -8.744 1.00 3.21 C ATOM 846 OD1 ASP A 52 2.607 7.444 -9.225 1.00 52.10 O ATOM 847 OD2 ASP A 52 1.042 5.959 -9.300 1.00 25.43 O ATOM 0 H ASP A 52 0.671 8.384 -5.237 1.00 21.32 H new ATOM 0 HA ASP A 52 1.478 5.781 -6.166 1.00 53.30 H new ATOM 0 HB2 ASP A 52 -0.012 7.272 -7.431 1.00 30.04 H new ATOM 0 HB3 ASP A 52 1.206 8.531 -7.441 1.00 30.04 H new ATOM 852 N PRO A 53 3.974 5.942 -6.412 1.00 63.14 N ATOM 853 CA PRO A 53 5.447 5.967 -6.395 1.00 42.34 C ATOM 854 C PRO A 53 6.081 6.647 -7.622 1.00 25.14 C ATOM 855 O PRO A 53 7.299 6.834 -7.673 1.00 22.12 O ATOM 856 CB PRO A 53 5.816 4.480 -6.373 1.00 41.43 C ATOM 857 CG PRO A 53 4.675 3.816 -7.055 1.00 3.41 C ATOM 858 CD PRO A 53 3.458 4.574 -6.628 1.00 32.22 C ATOM 0 HA PRO A 53 5.816 6.548 -5.550 1.00 42.34 H new ATOM 0 HB2 PRO A 53 6.755 4.294 -6.894 1.00 41.43 H new ATOM 0 HB3 PRO A 53 5.939 4.114 -5.354 1.00 41.43 H new ATOM 0 HG2 PRO A 53 4.795 3.844 -8.138 1.00 3.41 H new ATOM 0 HG3 PRO A 53 4.604 2.766 -6.769 1.00 3.41 H new ATOM 0 HD2 PRO A 53 2.681 4.552 -7.392 1.00 32.22 H new ATOM 0 HD3 PRO A 53 3.023 4.159 -5.719 1.00 32.22 H new ATOM 866 N LYS A 54 5.281 7.006 -8.596 1.00 44.41 N ATOM 867 CA LYS A 54 5.801 7.623 -9.791 1.00 75.24 C ATOM 868 C LYS A 54 5.822 9.136 -9.699 1.00 20.34 C ATOM 869 O LYS A 54 6.292 9.818 -10.629 1.00 5.11 O ATOM 870 CB LYS A 54 5.046 7.156 -11.014 1.00 2.23 C ATOM 871 CG LYS A 54 5.217 5.677 -11.259 1.00 21.41 C ATOM 872 CD LYS A 54 4.363 5.200 -12.393 1.00 22.21 C ATOM 873 CE LYS A 54 4.714 5.859 -13.718 1.00 35.15 C ATOM 874 NZ LYS A 54 3.871 5.344 -14.821 1.00 61.55 N ATOM 0 H LYS A 54 4.269 6.882 -8.585 1.00 44.41 H new ATOM 0 HA LYS A 54 6.838 7.303 -9.889 1.00 75.24 H new ATOM 0 HB2 LYS A 54 3.987 7.382 -10.893 1.00 2.23 H new ATOM 0 HB3 LYS A 54 5.393 7.710 -11.886 1.00 2.23 H new ATOM 0 HG2 LYS A 54 6.263 5.463 -11.477 1.00 21.41 H new ATOM 0 HG3 LYS A 54 4.961 5.126 -10.354 1.00 21.41 H new ATOM 0 HD2 LYS A 54 4.469 4.120 -12.491 1.00 22.21 H new ATOM 0 HD3 LYS A 54 3.317 5.398 -12.161 1.00 22.21 H new ATOM 0 HE2 LYS A 54 4.586 6.938 -13.634 1.00 35.15 H new ATOM 0 HE3 LYS A 54 5.764 5.680 -13.948 1.00 35.15 H new ATOM 0 HZ1 LYS A 54 4.137 5.814 -15.710 1.00 61.55 H new ATOM 0 HZ2 LYS A 54 4.013 4.318 -14.916 1.00 61.55 H new ATOM 0 HZ3 LYS A 54 2.871 5.537 -14.613 1.00 61.55 H new ATOM 888 N LEU A 55 5.290 9.675 -8.597 1.00 73.32 N ATOM 889 CA LEU A 55 5.370 11.110 -8.342 1.00 5.11 C ATOM 890 C LEU A 55 6.827 11.541 -8.254 1.00 44.11 C ATOM 891 O LEU A 55 7.630 10.895 -7.581 1.00 71.23 O ATOM 892 CB LEU A 55 4.617 11.473 -7.061 1.00 5.32 C ATOM 893 CG LEU A 55 3.086 11.386 -7.119 1.00 24.22 C ATOM 894 CD1 LEU A 55 2.497 11.711 -5.768 1.00 72.01 C ATOM 895 CD2 LEU A 55 2.538 12.351 -8.153 1.00 45.10 C ATOM 0 H LEU A 55 4.804 9.142 -7.876 1.00 73.32 H new ATOM 0 HA LEU A 55 4.899 11.641 -9.169 1.00 5.11 H new ATOM 0 HB2 LEU A 55 4.966 10.818 -6.263 1.00 5.32 H new ATOM 0 HB3 LEU A 55 4.891 12.490 -6.781 1.00 5.32 H new ATOM 0 HG LEU A 55 2.811 10.370 -7.400 1.00 24.22 H new ATOM 0 HD11 LEU A 55 1.410 11.646 -5.820 1.00 72.01 H new ATOM 0 HD12 LEU A 55 2.868 11.001 -5.029 1.00 72.01 H new ATOM 0 HD13 LEU A 55 2.787 12.721 -5.478 1.00 72.01 H new ATOM 0 HD21 LEU A 55 1.451 12.276 -8.181 1.00 45.10 H new ATOM 0 HD22 LEU A 55 2.825 13.369 -7.889 1.00 45.10 H new ATOM 0 HD23 LEU A 55 2.944 12.103 -9.134 1.00 45.10 H new ATOM 907 N LYS A 56 7.174 12.624 -8.930 1.00 61.43 N ATOM 908 CA LYS A 56 8.559 13.061 -8.973 1.00 10.15 C ATOM 909 C LYS A 56 9.044 13.532 -7.616 1.00 33.11 C ATOM 910 O LYS A 56 10.182 13.253 -7.237 1.00 50.34 O ATOM 911 CB LYS A 56 8.821 14.122 -10.058 1.00 64.12 C ATOM 912 CG LYS A 56 10.296 14.513 -10.161 1.00 41.51 C ATOM 913 CD LYS A 56 10.558 15.524 -11.259 1.00 73.03 C ATOM 914 CE LYS A 56 12.043 15.859 -11.335 1.00 50.50 C ATOM 915 NZ LYS A 56 12.349 16.812 -12.421 1.00 65.15 N ATOM 0 H LYS A 56 6.523 13.211 -9.451 1.00 61.43 H new ATOM 0 HA LYS A 56 9.141 12.182 -9.250 1.00 10.15 H new ATOM 0 HB2 LYS A 56 8.483 13.741 -11.022 1.00 64.12 H new ATOM 0 HB3 LYS A 56 8.229 15.011 -9.841 1.00 64.12 H new ATOM 0 HG2 LYS A 56 10.626 14.925 -9.207 1.00 41.51 H new ATOM 0 HG3 LYS A 56 10.892 13.620 -10.346 1.00 41.51 H new ATOM 0 HD2 LYS A 56 10.220 15.126 -12.216 1.00 73.03 H new ATOM 0 HD3 LYS A 56 9.984 16.431 -11.070 1.00 73.03 H new ATOM 0 HE2 LYS A 56 12.367 16.280 -10.383 1.00 50.50 H new ATOM 0 HE3 LYS A 56 12.612 14.942 -11.488 1.00 50.50 H new ATOM 0 HZ1 LYS A 56 13.370 17.009 -12.433 1.00 65.15 H new ATOM 0 HZ2 LYS A 56 12.065 16.401 -13.333 1.00 65.15 H new ATOM 0 HZ3 LYS A 56 11.828 17.698 -12.263 1.00 65.15 H new ATOM 929 N TRP A 57 8.182 14.217 -6.854 1.00 13.15 N ATOM 930 CA TRP A 57 8.586 14.657 -5.519 1.00 52.14 C ATOM 931 C TRP A 57 8.806 13.431 -4.625 1.00 32.32 C ATOM 932 O TRP A 57 9.572 13.468 -3.658 1.00 2.14 O ATOM 933 CB TRP A 57 7.584 15.651 -4.872 1.00 41.31 C ATOM 934 CG TRP A 57 6.259 15.077 -4.423 1.00 31.24 C ATOM 935 CD1 TRP A 57 5.093 14.978 -5.131 1.00 61.41 C ATOM 936 CD2 TRP A 57 5.980 14.547 -3.130 1.00 10.13 C ATOM 937 NE1 TRP A 57 4.116 14.423 -4.330 1.00 52.11 N ATOM 938 CE2 TRP A 57 4.640 14.147 -3.114 1.00 51.44 C ATOM 939 CE3 TRP A 57 6.747 14.370 -1.985 1.00 50.33 C ATOM 940 CZ2 TRP A 57 4.049 13.586 -2.000 1.00 23.14 C ATOM 941 CZ3 TRP A 57 6.165 13.811 -0.881 1.00 63.34 C ATOM 942 CH2 TRP A 57 4.828 13.423 -0.890 1.00 71.21 C ATOM 0 H TRP A 57 7.233 14.470 -7.129 1.00 13.15 H new ATOM 0 HA TRP A 57 9.520 15.209 -5.623 1.00 52.14 H new ATOM 0 HB2 TRP A 57 8.067 16.109 -4.009 1.00 41.31 H new ATOM 0 HB3 TRP A 57 7.385 16.449 -5.587 1.00 41.31 H new ATOM 0 HD1 TRP A 57 4.958 15.286 -6.157 1.00 61.41 H new ATOM 0 HE1 TRP A 57 3.151 14.248 -4.611 1.00 52.11 H new ATOM 0 HE3 TRP A 57 7.785 14.669 -1.967 1.00 50.33 H new ATOM 0 HZ2 TRP A 57 3.011 13.288 -2.006 1.00 23.14 H new ATOM 0 HZ3 TRP A 57 6.753 13.668 0.014 1.00 63.34 H new ATOM 0 HH2 TRP A 57 4.398 12.984 -0.002 1.00 71.21 H new ATOM 953 N ILE A 58 8.137 12.352 -4.983 1.00 35.43 N ATOM 954 CA ILE A 58 8.264 11.088 -4.318 1.00 42.35 C ATOM 955 C ILE A 58 9.605 10.456 -4.635 1.00 21.11 C ATOM 956 O ILE A 58 10.224 9.877 -3.773 1.00 32.14 O ATOM 957 CB ILE A 58 7.082 10.150 -4.680 1.00 20.20 C ATOM 958 CG1 ILE A 58 5.823 10.565 -3.943 1.00 51.03 C ATOM 959 CG2 ILE A 58 7.387 8.687 -4.470 1.00 70.11 C ATOM 960 CD1 ILE A 58 5.946 10.457 -2.436 1.00 23.40 C ATOM 0 H ILE A 58 7.478 12.339 -5.762 1.00 35.43 H new ATOM 0 HA ILE A 58 8.223 11.254 -3.242 1.00 42.35 H new ATOM 0 HB ILE A 58 6.915 10.264 -5.751 1.00 20.20 H new ATOM 0 HG12 ILE A 58 5.578 11.594 -4.208 1.00 51.03 H new ATOM 0 HG13 ILE A 58 4.993 9.943 -4.278 1.00 51.03 H new ATOM 0 HG21 ILE A 58 6.516 8.091 -4.743 1.00 70.11 H new ATOM 0 HG22 ILE A 58 8.234 8.399 -5.093 1.00 70.11 H new ATOM 0 HG23 ILE A 58 7.631 8.513 -3.422 1.00 70.11 H new ATOM 0 HD11 ILE A 58 5.011 10.769 -1.971 1.00 23.40 H new ATOM 0 HD12 ILE A 58 6.161 9.424 -2.162 1.00 23.40 H new ATOM 0 HD13 ILE A 58 6.755 11.100 -2.090 1.00 23.40 H new ATOM 972 N GLN A 59 10.055 10.594 -5.864 1.00 35.04 N ATOM 973 CA GLN A 59 11.375 10.120 -6.236 1.00 5.24 C ATOM 974 C GLN A 59 12.438 10.865 -5.468 1.00 14.30 C ATOM 975 O GLN A 59 13.405 10.273 -5.006 1.00 31.45 O ATOM 976 CB GLN A 59 11.597 10.213 -7.734 1.00 33.35 C ATOM 977 CG GLN A 59 10.749 9.227 -8.494 1.00 63.12 C ATOM 978 CD GLN A 59 11.080 7.791 -8.117 1.00 3.22 C ATOM 979 OE1 GLN A 59 12.227 7.466 -7.769 1.00 63.40 O ATOM 980 NE2 GLN A 59 10.100 6.934 -8.136 1.00 75.43 N ATOM 0 H GLN A 59 9.529 11.029 -6.622 1.00 35.04 H new ATOM 0 HA GLN A 59 11.445 9.065 -5.971 1.00 5.24 H new ATOM 0 HB2 GLN A 59 11.368 11.224 -8.072 1.00 33.35 H new ATOM 0 HB3 GLN A 59 12.649 10.033 -7.956 1.00 33.35 H new ATOM 0 HG2 GLN A 59 9.696 9.422 -8.293 1.00 63.12 H new ATOM 0 HG3 GLN A 59 10.900 9.366 -9.564 1.00 63.12 H new ATOM 0 HE21 GLN A 59 9.168 7.231 -8.427 1.00 75.43 H new ATOM 0 HE22 GLN A 59 10.264 5.966 -7.860 1.00 75.43 H new ATOM 989 N GLU A 60 12.221 12.161 -5.290 1.00 41.43 N ATOM 990 CA GLU A 60 13.112 12.989 -4.490 1.00 44.55 C ATOM 991 C GLU A 60 13.148 12.461 -3.056 1.00 1.15 C ATOM 992 O GLU A 60 14.185 12.438 -2.414 1.00 70.51 O ATOM 993 CB GLU A 60 12.629 14.443 -4.494 1.00 74.33 C ATOM 994 CG GLU A 60 12.528 15.053 -5.881 1.00 35.15 C ATOM 995 CD GLU A 60 13.844 15.061 -6.600 1.00 73.31 C ATOM 996 OE1 GLU A 60 14.178 14.076 -7.262 1.00 45.22 O ATOM 997 OE2 GLU A 60 14.574 16.057 -6.503 1.00 41.45 O ATOM 0 H GLU A 60 11.430 12.664 -5.692 1.00 41.43 H new ATOM 0 HA GLU A 60 14.114 12.950 -4.918 1.00 44.55 H new ATOM 0 HB2 GLU A 60 11.652 14.492 -4.014 1.00 74.33 H new ATOM 0 HB3 GLU A 60 13.311 15.044 -3.892 1.00 74.33 H new ATOM 0 HG2 GLU A 60 11.800 14.494 -6.468 1.00 35.15 H new ATOM 0 HG3 GLU A 60 12.156 16.074 -5.799 1.00 35.15 H new ATOM 1004 N TYR A 61 11.999 12.014 -2.602 1.00 30.10 N ATOM 1005 CA TYR A 61 11.807 11.457 -1.275 1.00 31.15 C ATOM 1006 C TYR A 61 12.460 10.065 -1.150 1.00 20.43 C ATOM 1007 O TYR A 61 13.171 9.791 -0.187 1.00 4.35 O ATOM 1008 CB TYR A 61 10.286 11.414 -0.984 1.00 3.34 C ATOM 1009 CG TYR A 61 9.850 10.655 0.246 1.00 4.13 C ATOM 1010 CD1 TYR A 61 10.173 11.090 1.522 1.00 52.24 C ATOM 1011 CD2 TYR A 61 9.106 9.488 0.117 1.00 63.14 C ATOM 1012 CE1 TYR A 61 9.763 10.381 2.635 1.00 14.43 C ATOM 1013 CE2 TYR A 61 8.690 8.780 1.216 1.00 33.34 C ATOM 1014 CZ TYR A 61 9.024 9.229 2.478 1.00 15.45 C ATOM 1015 OH TYR A 61 8.611 8.525 3.584 1.00 2.44 O ATOM 0 H TYR A 61 11.145 12.027 -3.160 1.00 30.10 H new ATOM 0 HA TYR A 61 12.298 12.086 -0.532 1.00 31.15 H new ATOM 0 HB2 TYR A 61 9.928 12.440 -0.895 1.00 3.34 H new ATOM 0 HB3 TYR A 61 9.787 10.976 -1.848 1.00 3.34 H new ATOM 0 HD1 TYR A 61 10.752 11.993 1.648 1.00 52.24 H new ATOM 0 HD2 TYR A 61 8.850 9.131 -0.870 1.00 63.14 H new ATOM 0 HE1 TYR A 61 10.021 10.729 3.624 1.00 14.43 H new ATOM 0 HE2 TYR A 61 8.106 7.879 1.095 1.00 33.34 H new ATOM 0 HH TYR A 61 7.766 8.070 3.386 1.00 2.44 H new ATOM 1025 N LEU A 62 12.229 9.220 -2.132 1.00 40.04 N ATOM 1026 CA LEU A 62 12.763 7.860 -2.153 1.00 43.42 C ATOM 1027 C LEU A 62 14.262 7.852 -2.240 1.00 71.25 C ATOM 1028 O LEU A 62 14.942 7.193 -1.436 1.00 65.33 O ATOM 1029 CB LEU A 62 12.179 7.069 -3.320 1.00 22.24 C ATOM 1030 CG LEU A 62 10.682 6.847 -3.280 1.00 24.10 C ATOM 1031 CD1 LEU A 62 10.232 6.064 -4.497 1.00 72.03 C ATOM 1032 CD2 LEU A 62 10.307 6.128 -2.007 1.00 51.13 C ATOM 0 H LEU A 62 11.662 9.452 -2.948 1.00 40.04 H new ATOM 0 HA LEU A 62 12.473 7.387 -1.215 1.00 43.42 H new ATOM 0 HB2 LEU A 62 12.426 7.588 -4.246 1.00 22.24 H new ATOM 0 HB3 LEU A 62 12.671 6.097 -3.358 1.00 22.24 H new ATOM 0 HG LEU A 62 10.176 7.812 -3.296 1.00 24.10 H new ATOM 0 HD11 LEU A 62 9.153 5.912 -4.454 1.00 72.03 H new ATOM 0 HD12 LEU A 62 10.485 6.619 -5.401 1.00 72.03 H new ATOM 0 HD13 LEU A 62 10.734 5.097 -4.513 1.00 72.03 H new ATOM 0 HD21 LEU A 62 9.229 5.970 -1.982 1.00 51.13 H new ATOM 0 HD22 LEU A 62 10.816 5.165 -1.970 1.00 51.13 H new ATOM 0 HD23 LEU A 62 10.605 6.729 -1.148 1.00 51.13 H new ATOM 1044 N GLU A 63 14.785 8.596 -3.181 1.00 63.15 N ATOM 1045 CA GLU A 63 16.214 8.653 -3.394 1.00 32.22 C ATOM 1046 C GLU A 63 16.923 9.357 -2.235 1.00 13.42 C ATOM 1047 O GLU A 63 18.133 9.268 -2.092 1.00 74.22 O ATOM 1048 CB GLU A 63 16.545 9.317 -4.731 1.00 22.14 C ATOM 1049 CG GLU A 63 15.926 8.613 -5.941 1.00 44.53 C ATOM 1050 CD GLU A 63 16.399 7.182 -6.117 1.00 33.32 C ATOM 1051 OE1 GLU A 63 15.764 6.254 -5.572 1.00 31.43 O ATOM 1052 OE2 GLU A 63 17.402 6.962 -6.826 1.00 63.12 O ATOM 0 H GLU A 63 14.240 9.176 -3.818 1.00 63.15 H new ATOM 0 HA GLU A 63 16.584 7.628 -3.430 1.00 32.22 H new ATOM 0 HB2 GLU A 63 16.200 10.351 -4.708 1.00 22.14 H new ATOM 0 HB3 GLU A 63 17.628 9.345 -4.854 1.00 22.14 H new ATOM 0 HG2 GLU A 63 14.841 8.618 -5.838 1.00 44.53 H new ATOM 0 HG3 GLU A 63 16.164 9.179 -6.842 1.00 44.53 H new ATOM 1059 N LYS A 64 16.166 10.040 -1.408 1.00 73.11 N ATOM 1060 CA LYS A 64 16.729 10.685 -0.267 1.00 21.01 C ATOM 1061 C LYS A 64 16.651 9.779 0.957 1.00 54.44 C ATOM 1062 O LYS A 64 17.663 9.486 1.571 1.00 31.50 O ATOM 1063 CB LYS A 64 16.025 12.005 0.000 1.00 70.53 C ATOM 1064 CG LYS A 64 16.516 12.836 1.204 1.00 55.22 C ATOM 1065 CD LYS A 64 17.904 13.523 1.040 1.00 52.35 C ATOM 1066 CE LYS A 64 19.096 12.569 1.017 1.00 11.11 C ATOM 1067 NZ LYS A 64 20.378 13.304 0.944 1.00 54.12 N ATOM 0 H LYS A 64 15.158 10.158 -1.513 1.00 73.11 H new ATOM 0 HA LYS A 64 17.779 10.890 -0.473 1.00 21.01 H new ATOM 0 HB2 LYS A 64 16.113 12.622 -0.894 1.00 70.53 H new ATOM 0 HB3 LYS A 64 14.964 11.799 0.142 1.00 70.53 H new ATOM 0 HG2 LYS A 64 15.774 13.606 1.415 1.00 55.22 H new ATOM 0 HG3 LYS A 64 16.556 12.185 2.077 1.00 55.22 H new ATOM 0 HD2 LYS A 64 17.901 14.099 0.115 1.00 52.35 H new ATOM 0 HD3 LYS A 64 18.041 14.232 1.856 1.00 52.35 H new ATOM 0 HE2 LYS A 64 19.083 11.947 1.912 1.00 11.11 H new ATOM 0 HE3 LYS A 64 19.010 11.899 0.162 1.00 11.11 H new ATOM 0 HZ1 LYS A 64 21.167 12.626 0.930 1.00 54.12 H new ATOM 0 HZ2 LYS A 64 20.400 13.878 0.077 1.00 54.12 H new ATOM 0 HZ3 LYS A 64 20.470 13.925 1.773 1.00 54.12 H new ATOM 1081 N ALA A 65 15.455 9.312 1.282 1.00 34.45 N ATOM 1082 CA ALA A 65 15.231 8.549 2.508 1.00 64.45 C ATOM 1083 C ALA A 65 15.687 7.099 2.411 1.00 23.40 C ATOM 1084 O ALA A 65 16.216 6.545 3.379 1.00 71.34 O ATOM 1085 CB ALA A 65 13.764 8.607 2.911 1.00 43.12 C ATOM 0 H ALA A 65 14.619 9.447 0.713 1.00 34.45 H new ATOM 0 HA ALA A 65 15.845 9.020 3.275 1.00 64.45 H new ATOM 0 HB1 ALA A 65 13.615 8.034 3.826 1.00 43.12 H new ATOM 0 HB2 ALA A 65 13.474 9.644 3.081 1.00 43.12 H new ATOM 0 HB3 ALA A 65 13.151 8.185 2.115 1.00 43.12 H new ATOM 1091 N LEU A 66 15.488 6.486 1.268 1.00 43.34 N ATOM 1092 CA LEU A 66 15.791 5.070 1.127 1.00 12.12 C ATOM 1093 C LEU A 66 17.159 4.843 0.518 1.00 72.41 C ATOM 1094 O LEU A 66 17.887 3.930 0.919 1.00 43.41 O ATOM 1095 CB LEU A 66 14.728 4.379 0.273 1.00 53.41 C ATOM 1096 CG LEU A 66 13.285 4.462 0.785 1.00 12.02 C ATOM 1097 CD1 LEU A 66 12.349 3.720 -0.149 1.00 14.41 C ATOM 1098 CD2 LEU A 66 13.176 3.916 2.205 1.00 74.42 C ATOM 0 H LEU A 66 15.122 6.934 0.428 1.00 43.34 H new ATOM 0 HA LEU A 66 15.791 4.640 2.128 1.00 12.12 H new ATOM 0 HB2 LEU A 66 14.761 4.809 -0.728 1.00 53.41 H new ATOM 0 HB3 LEU A 66 14.997 3.327 0.177 1.00 53.41 H new ATOM 0 HG LEU A 66 12.991 5.511 0.807 1.00 12.02 H new ATOM 0 HD11 LEU A 66 11.329 3.788 0.228 1.00 14.41 H new ATOM 0 HD12 LEU A 66 12.399 4.165 -1.143 1.00 14.41 H new ATOM 0 HD13 LEU A 66 12.646 2.673 -0.205 1.00 14.41 H new ATOM 0 HD21 LEU A 66 12.142 3.987 2.544 1.00 74.42 H new ATOM 0 HD22 LEU A 66 13.492 2.873 2.219 1.00 74.42 H new ATOM 0 HD23 LEU A 66 13.816 4.498 2.869 1.00 74.42 H new ATOM 1110 N ASN A 67 17.503 5.666 -0.432 1.00 34.40 N ATOM 1111 CA ASN A 67 18.761 5.523 -1.159 1.00 45.01 C ATOM 1112 C ASN A 67 19.949 5.975 -0.314 1.00 5.33 C ATOM 1113 O ASN A 67 21.016 5.376 -0.355 1.00 3.33 O ATOM 1114 CB ASN A 67 18.706 6.356 -2.433 1.00 63.22 C ATOM 1115 CG ASN A 67 19.918 6.207 -3.335 1.00 32.31 C ATOM 1116 OD1 ASN A 67 20.527 5.139 -3.422 1.00 45.44 O ATOM 1117 ND2 ASN A 67 20.288 7.281 -3.993 1.00 41.44 N ATOM 0 H ASN A 67 16.932 6.456 -0.733 1.00 34.40 H new ATOM 0 HA ASN A 67 18.895 4.468 -1.400 1.00 45.01 H new ATOM 0 HB2 ASN A 67 17.814 6.079 -2.995 1.00 63.22 H new ATOM 0 HB3 ASN A 67 18.598 7.406 -2.161 1.00 63.22 H new ATOM 0 HD21 ASN A 67 21.105 7.249 -4.602 1.00 41.44 H new ATOM 0 HD22 ASN A 67 19.758 8.147 -3.895 1.00 41.44 H new ATOM 1124 N LYS A 68 19.761 7.026 0.449 1.00 65.40 N ATOM 1125 CA LYS A 68 20.839 7.584 1.220 1.00 53.11 C ATOM 1126 C LYS A 68 20.687 7.226 2.688 1.00 2.24 C ATOM 1127 O LYS A 68 21.310 6.253 3.131 1.00 38.29 O ATOM 1128 CB LYS A 68 20.899 9.107 1.033 1.00 10.31 C ATOM 1129 CG LYS A 68 21.042 9.597 -0.423 1.00 73.32 C ATOM 1130 CD LYS A 68 22.451 9.440 -1.083 1.00 13.52 C ATOM 1131 CE LYS A 68 23.016 8.014 -1.120 1.00 0.41 C ATOM 1132 NZ LYS A 68 23.773 7.659 0.113 1.00 55.43 N ATOM 1133 OXT LYS A 68 19.947 7.906 3.394 1.00 38.29 O ATOM 0 H LYS A 68 18.869 7.510 0.550 1.00 65.40 H new ATOM 0 HA LYS A 68 21.777 7.158 0.863 1.00 53.11 H new ATOM 0 HB2 LYS A 68 19.994 9.543 1.456 1.00 10.31 H new ATOM 0 HB3 LYS A 68 21.739 9.493 1.611 1.00 10.31 H new ATOM 0 HG2 LYS A 68 20.318 9.059 -1.035 1.00 73.32 H new ATOM 0 HG3 LYS A 68 20.767 10.651 -0.456 1.00 73.32 H new ATOM 0 HD2 LYS A 68 22.397 9.816 -2.105 1.00 13.52 H new ATOM 0 HD3 LYS A 68 23.155 10.076 -0.547 1.00 13.52 H new ATOM 0 HE2 LYS A 68 22.197 7.307 -1.254 1.00 0.41 H new ATOM 0 HE3 LYS A 68 23.671 7.910 -1.985 1.00 0.41 H new ATOM 0 HZ1 LYS A 68 23.612 6.658 0.343 1.00 55.43 H new ATOM 0 HZ2 LYS A 68 24.788 7.819 -0.045 1.00 55.43 H new ATOM 0 HZ3 LYS A 68 23.448 8.252 0.903 1.00 55.43 H new TER 1147 LYS A 68