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 -120:sc= 0.00545 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.467 K(o=-0.46,f=-4.1!) USER MOD Single : A 1 LYS N :NH3+ -171:sc= -0.0193 (180deg=-0.16) 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= 0.129 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.35) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.855 (180deg=0.809) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 45 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.2!) USER MOD Single : A 46 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.15) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0.288 (180deg=0.178) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.35) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0528 (180deg=-0.443) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0195 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.138 -25.764 -3.671 1.00 13.00 N ATOM 2 CA LYS A 1 3.939 -26.114 -2.926 1.00 3.51 C ATOM 3 C LYS A 1 2.882 -25.062 -3.205 1.00 73.50 C ATOM 4 O LYS A 1 2.922 -23.989 -2.617 1.00 63.45 O ATOM 5 CB LYS A 1 4.233 -26.119 -1.424 1.00 14.42 C ATOM 6 CG LYS A 1 5.378 -27.025 -0.990 1.00 2.20 C ATOM 7 CD LYS A 1 5.593 -26.953 0.519 1.00 40.24 C ATOM 8 CE LYS A 1 5.938 -25.535 0.982 1.00 72.41 C ATOM 9 NZ LYS A 1 6.050 -25.445 2.452 1.00 10.32 N ATOM 0 H1 LYS A 1 5.821 -26.546 -3.617 1.00 13.00 H new ATOM 0 H2 LYS A 1 4.890 -25.589 -4.666 1.00 13.00 H new ATOM 0 H3 LYS A 1 5.562 -24.906 -3.264 1.00 13.00 H new ATOM 0 HA LYS A 1 3.599 -27.104 -3.229 1.00 3.51 H new ATOM 0 HB2 LYS A 1 4.459 -25.100 -1.111 1.00 14.42 H new ATOM 0 HB3 LYS A 1 3.330 -26.422 -0.894 1.00 14.42 H new ATOM 0 HG2 LYS A 1 5.163 -28.053 -1.281 1.00 2.20 H new ATOM 0 HG3 LYS A 1 6.293 -26.732 -1.505 1.00 2.20 H new ATOM 0 HD2 LYS A 1 4.692 -27.292 1.030 1.00 40.24 H new ATOM 0 HD3 LYS A 1 6.396 -27.633 0.804 1.00 40.24 H new ATOM 0 HE2 LYS A 1 6.878 -25.224 0.527 1.00 72.41 H new ATOM 0 HE3 LYS A 1 5.171 -24.843 0.634 1.00 72.41 H new ATOM 0 HZ1 LYS A 1 6.285 -24.469 2.723 1.00 10.32 H new ATOM 0 HZ2 LYS A 1 5.145 -25.717 2.886 1.00 10.32 H new ATOM 0 HZ3 LYS A 1 6.799 -26.086 2.783 1.00 10.32 H new ATOM 23 N PRO A 2 1.939 -25.314 -4.114 1.00 43.52 N ATOM 24 CA PRO A 2 0.951 -24.332 -4.464 1.00 60.41 C ATOM 25 C PRO A 2 -0.226 -24.327 -3.501 1.00 73.03 C ATOM 26 O PRO A 2 -1.176 -25.092 -3.657 1.00 20.32 O ATOM 27 CB PRO A 2 0.505 -24.726 -5.882 1.00 2.23 C ATOM 28 CG PRO A 2 1.133 -26.074 -6.156 1.00 55.04 C ATOM 29 CD PRO A 2 1.744 -26.554 -4.860 1.00 2.34 C ATOM 0 HA PRO A 2 1.357 -23.322 -4.415 1.00 60.41 H new ATOM 0 HB2 PRO A 2 -0.582 -24.781 -5.948 1.00 2.23 H new ATOM 0 HB3 PRO A 2 0.832 -23.987 -6.614 1.00 2.23 H new ATOM 0 HG2 PRO A 2 0.385 -26.781 -6.514 1.00 55.04 H new ATOM 0 HG3 PRO A 2 1.893 -25.994 -6.933 1.00 55.04 H new ATOM 0 HD2 PRO A 2 1.084 -27.243 -4.333 1.00 2.34 H new ATOM 0 HD3 PRO A 2 2.685 -27.078 -5.026 1.00 2.34 H new ATOM 37 N VAL A 3 -0.124 -23.518 -2.476 1.00 31.02 N ATOM 38 CA VAL A 3 -1.184 -23.374 -1.495 1.00 63.03 C ATOM 39 C VAL A 3 -1.766 -21.970 -1.555 1.00 3.25 C ATOM 40 O VAL A 3 -1.172 -20.995 -1.070 1.00 51.30 O ATOM 41 CB VAL A 3 -0.740 -23.766 -0.039 1.00 3.12 C ATOM 42 CG1 VAL A 3 -0.484 -25.261 0.045 1.00 21.40 C ATOM 43 CG2 VAL A 3 0.522 -23.014 0.387 1.00 3.45 C ATOM 0 H VAL A 3 0.695 -22.938 -2.293 1.00 31.02 H new ATOM 0 HA VAL A 3 -1.966 -24.087 -1.757 1.00 63.03 H new ATOM 0 HB VAL A 3 -1.550 -23.489 0.636 1.00 3.12 H new ATOM 0 HG11 VAL A 3 -0.177 -25.521 1.058 1.00 21.40 H new ATOM 0 HG12 VAL A 3 -1.396 -25.801 -0.208 1.00 21.40 H new ATOM 0 HG13 VAL A 3 0.305 -25.535 -0.655 1.00 21.40 H new ATOM 0 HG21 VAL A 3 0.798 -23.311 1.399 1.00 3.45 H new ATOM 0 HG22 VAL A 3 1.336 -23.253 -0.297 1.00 3.45 H new ATOM 0 HG23 VAL A 3 0.332 -21.941 0.363 1.00 3.45 H new ATOM 53 N SER A 4 -2.903 -21.852 -2.186 1.00 53.41 N ATOM 54 CA SER A 4 -3.492 -20.573 -2.395 1.00 20.32 C ATOM 55 C SER A 4 -4.967 -20.671 -2.733 1.00 24.11 C ATOM 56 O SER A 4 -5.486 -21.749 -3.026 1.00 41.30 O ATOM 57 CB SER A 4 -2.739 -19.882 -3.534 1.00 61.12 C ATOM 58 OG SER A 4 -2.695 -20.722 -4.680 1.00 34.04 O ATOM 0 H SER A 4 -3.436 -22.635 -2.563 1.00 53.41 H new ATOM 0 HA SER A 4 -3.417 -19.998 -1.472 1.00 20.32 H new ATOM 0 HB2 SER A 4 -3.229 -18.941 -3.784 1.00 61.12 H new ATOM 0 HB3 SER A 4 -1.726 -19.639 -3.214 1.00 61.12 H new ATOM 0 HG SER A 4 -2.212 -20.267 -5.401 1.00 34.04 H new ATOM 64 N LEU A 5 -5.619 -19.553 -2.675 1.00 72.03 N ATOM 65 CA LEU A 5 -6.981 -19.421 -3.091 1.00 61.13 C ATOM 66 C LEU A 5 -6.886 -18.812 -4.479 1.00 70.51 C ATOM 67 O LEU A 5 -5.926 -18.065 -4.734 1.00 41.12 O ATOM 68 CB LEU A 5 -7.727 -18.495 -2.070 1.00 41.10 C ATOM 69 CG LEU A 5 -9.268 -18.297 -2.181 1.00 73.41 C ATOM 70 CD1 LEU A 5 -9.769 -17.571 -0.951 1.00 52.20 C ATOM 71 CD2 LEU A 5 -9.664 -17.491 -3.407 1.00 42.23 C ATOM 0 H LEU A 5 -5.210 -18.685 -2.329 1.00 72.03 H new ATOM 0 HA LEU A 5 -7.541 -20.356 -3.120 1.00 61.13 H new ATOM 0 HB2 LEU A 5 -7.521 -18.881 -1.072 1.00 41.10 H new ATOM 0 HB3 LEU A 5 -7.268 -17.508 -2.132 1.00 41.10 H new ATOM 0 HG LEU A 5 -9.714 -19.288 -2.268 1.00 73.41 H new ATOM 0 HD11 LEU A 5 -10.847 -17.431 -1.025 1.00 52.20 H new ATOM 0 HD12 LEU A 5 -9.540 -18.160 -0.063 1.00 52.20 H new ATOM 0 HD13 LEU A 5 -9.281 -16.599 -0.878 1.00 52.20 H new ATOM 0 HD21 LEU A 5 -10.748 -17.382 -3.436 1.00 42.23 H new ATOM 0 HD22 LEU A 5 -9.202 -16.505 -3.359 1.00 42.23 H new ATOM 0 HD23 LEU A 5 -9.327 -18.007 -4.306 1.00 42.23 H new ATOM 83 N SER A 6 -7.817 -19.151 -5.362 1.00 60.30 N ATOM 84 CA SER A 6 -7.825 -18.660 -6.742 1.00 20.33 C ATOM 85 C SER A 6 -7.565 -17.148 -6.800 1.00 40.32 C ATOM 86 O SER A 6 -8.277 -16.356 -6.155 1.00 22.42 O ATOM 87 CB SER A 6 -9.161 -18.997 -7.381 1.00 11.10 C ATOM 88 OG SER A 6 -9.402 -20.399 -7.306 1.00 35.31 O ATOM 0 H SER A 6 -8.593 -19.777 -5.144 1.00 60.30 H new ATOM 0 HA SER A 6 -7.021 -19.148 -7.294 1.00 20.33 H new ATOM 0 HB2 SER A 6 -9.961 -18.456 -6.876 1.00 11.10 H new ATOM 0 HB3 SER A 6 -9.166 -18.675 -8.422 1.00 11.10 H new ATOM 0 HG SER A 6 -10.266 -20.605 -7.719 1.00 35.31 H new ATOM 94 N TYR A 7 -6.535 -16.757 -7.544 1.00 25.12 N ATOM 95 CA TYR A 7 -6.133 -15.373 -7.618 1.00 64.32 C ATOM 96 C TYR A 7 -7.052 -14.474 -8.408 1.00 30.22 C ATOM 97 O TYR A 7 -6.796 -14.122 -9.567 1.00 12.31 O ATOM 98 CB TYR A 7 -4.655 -15.169 -7.955 1.00 35.31 C ATOM 99 CG TYR A 7 -3.735 -15.548 -6.821 1.00 24.32 C ATOM 100 CD1 TYR A 7 -3.478 -14.641 -5.806 1.00 21.01 C ATOM 101 CD2 TYR A 7 -3.138 -16.801 -6.749 1.00 24.14 C ATOM 102 CE1 TYR A 7 -2.656 -14.956 -4.754 1.00 23.53 C ATOM 103 CE2 TYR A 7 -2.311 -17.128 -5.689 1.00 1.42 C ATOM 104 CZ TYR A 7 -2.074 -16.198 -4.694 1.00 54.22 C ATOM 105 OH TYR A 7 -1.253 -16.515 -3.625 1.00 50.11 O ATOM 0 H TYR A 7 -5.966 -17.391 -8.105 1.00 25.12 H new ATOM 0 HA TYR A 7 -6.250 -15.032 -6.589 1.00 64.32 H new ATOM 0 HB2 TYR A 7 -4.403 -15.762 -8.834 1.00 35.31 H new ATOM 0 HB3 TYR A 7 -4.488 -14.124 -8.217 1.00 35.31 H new ATOM 0 HD1 TYR A 7 -3.935 -13.663 -5.844 1.00 21.01 H new ATOM 0 HD2 TYR A 7 -3.321 -17.526 -7.528 1.00 24.14 H new ATOM 0 HE1 TYR A 7 -2.468 -14.230 -3.977 1.00 23.53 H new ATOM 0 HE2 TYR A 7 -1.853 -18.105 -5.639 1.00 1.42 H new ATOM 0 HH TYR A 7 -0.920 -17.431 -3.729 1.00 50.11 H new ATOM 115 N ARG A 8 -8.157 -14.181 -7.783 1.00 60.45 N ATOM 116 CA ARG A 8 -9.111 -13.199 -8.234 1.00 12.45 C ATOM 117 C ARG A 8 -8.633 -11.856 -7.731 1.00 42.25 C ATOM 118 O ARG A 8 -8.894 -10.809 -8.323 1.00 62.31 O ATOM 119 CB ARG A 8 -10.485 -13.521 -7.630 1.00 44.14 C ATOM 120 CG ARG A 8 -10.458 -13.578 -6.108 1.00 30.33 C ATOM 121 CD ARG A 8 -11.793 -13.950 -5.517 1.00 75.45 C ATOM 122 NE ARG A 8 -11.710 -14.109 -4.060 1.00 2.34 N ATOM 123 CZ ARG A 8 -12.706 -14.528 -3.276 1.00 32.03 C ATOM 124 NH1 ARG A 8 -13.902 -14.798 -3.795 1.00 54.14 N ATOM 125 NH2 ARG A 8 -12.502 -14.675 -1.973 1.00 33.02 N ATOM 0 H ARG A 8 -8.431 -14.635 -6.912 1.00 60.45 H new ATOM 0 HA ARG A 8 -9.198 -13.196 -9.321 1.00 12.45 H new ATOM 0 HB2 ARG A 8 -11.204 -12.766 -7.949 1.00 44.14 H new ATOM 0 HB3 ARG A 8 -10.834 -14.477 -8.019 1.00 44.14 H new ATOM 0 HG2 ARG A 8 -9.709 -14.303 -5.789 1.00 30.33 H new ATOM 0 HG3 ARG A 8 -10.150 -12.608 -5.717 1.00 30.33 H new ATOM 0 HD2 ARG A 8 -12.526 -13.181 -5.759 1.00 75.45 H new ATOM 0 HD3 ARG A 8 -12.145 -14.879 -5.966 1.00 75.45 H new ATOM 0 HE ARG A 8 -10.822 -13.882 -3.612 1.00 2.34 H new ATOM 0 HH11 ARG A 8 -14.061 -14.685 -4.796 1.00 54.14 H new ATOM 0 HH12 ARG A 8 -14.659 -15.118 -3.191 1.00 54.14 H new ATOM 0 HH21 ARG A 8 -11.587 -14.468 -1.574 1.00 33.02 H new ATOM 0 HH22 ARG A 8 -13.261 -14.995 -1.371 1.00 33.02 H new ATOM 139 N CYS A 9 -7.902 -11.920 -6.638 1.00 71.11 N ATOM 140 CA CYS A 9 -7.352 -10.782 -6.016 1.00 0.22 C ATOM 141 C CYS A 9 -5.857 -10.925 -6.019 1.00 35.42 C ATOM 142 O CYS A 9 -5.342 -12.013 -5.760 1.00 33.11 O ATOM 143 CB CYS A 9 -7.849 -10.679 -4.567 1.00 44.11 C ATOM 144 SG CYS A 9 -9.653 -10.530 -4.408 1.00 62.41 S ATOM 0 H CYS A 9 -7.681 -12.795 -6.163 1.00 71.11 H new ATOM 0 HA CYS A 9 -7.654 -9.883 -6.554 1.00 0.22 H new ATOM 0 HB2 CYS A 9 -7.519 -11.561 -4.018 1.00 44.11 H new ATOM 0 HB3 CYS A 9 -7.381 -9.815 -4.095 1.00 44.11 H new ATOM 149 N PRO A 10 -5.149 -9.851 -6.336 1.00 12.20 N ATOM 150 CA PRO A 10 -3.680 -9.820 -6.322 1.00 22.02 C ATOM 151 C PRO A 10 -3.104 -10.113 -4.934 1.00 11.11 C ATOM 152 O PRO A 10 -2.084 -10.791 -4.805 1.00 73.24 O ATOM 153 CB PRO A 10 -3.360 -8.383 -6.741 1.00 35.03 C ATOM 154 CG PRO A 10 -4.560 -7.940 -7.492 1.00 72.40 C ATOM 155 CD PRO A 10 -5.718 -8.589 -6.811 1.00 73.34 C ATOM 0 HA PRO A 10 -3.247 -10.579 -6.973 1.00 22.02 H new ATOM 0 HB2 PRO A 10 -3.177 -7.748 -5.874 1.00 35.03 H new ATOM 0 HB3 PRO A 10 -2.465 -8.340 -7.362 1.00 35.03 H new ATOM 0 HG2 PRO A 10 -4.654 -6.854 -7.477 1.00 72.40 H new ATOM 0 HG3 PRO A 10 -4.501 -8.240 -8.538 1.00 72.40 H new ATOM 0 HD2 PRO A 10 -6.096 -7.981 -5.989 1.00 73.34 H new ATOM 0 HD3 PRO A 10 -6.550 -8.753 -7.496 1.00 73.34 H new ATOM 163 N CYS A 11 -3.751 -9.600 -3.912 1.00 52.23 N ATOM 164 CA CYS A 11 -3.323 -9.832 -2.554 1.00 45.42 C ATOM 165 C CYS A 11 -4.408 -10.465 -1.720 1.00 11.42 C ATOM 166 O CYS A 11 -5.570 -10.050 -1.763 1.00 44.43 O ATOM 167 CB CYS A 11 -2.830 -8.541 -1.883 1.00 52.03 C ATOM 168 SG CYS A 11 -1.268 -7.885 -2.546 1.00 71.10 S ATOM 0 H CYS A 11 -4.582 -9.015 -3.999 1.00 52.23 H new ATOM 0 HA CYS A 11 -2.488 -10.530 -2.612 1.00 45.42 H new ATOM 0 HB2 CYS A 11 -3.601 -7.777 -1.986 1.00 52.03 H new ATOM 0 HB3 CYS A 11 -2.706 -8.727 -0.816 1.00 52.03 H new ATOM 173 N ARG A 12 -4.036 -11.479 -0.987 1.00 44.32 N ATOM 174 CA ARG A 12 -4.926 -12.126 -0.057 1.00 12.01 C ATOM 175 C ARG A 12 -4.565 -11.697 1.348 1.00 71.21 C ATOM 176 O ARG A 12 -5.439 -11.403 2.171 1.00 54.14 O ATOM 177 CB ARG A 12 -4.835 -13.649 -0.168 1.00 13.14 C ATOM 178 CG ARG A 12 -5.311 -14.216 -1.488 1.00 33.12 C ATOM 179 CD ARG A 12 -5.190 -15.729 -1.500 1.00 62.24 C ATOM 180 NE ARG A 12 -3.792 -16.178 -1.416 1.00 21.43 N ATOM 181 CZ ARG A 12 -3.371 -17.314 -0.845 1.00 54.50 C ATOM 182 NH1 ARG A 12 -4.195 -18.036 -0.098 1.00 21.12 N ATOM 183 NH2 ARG A 12 -2.104 -17.696 -0.981 1.00 51.41 N ATOM 0 H ARG A 12 -3.100 -11.884 -1.017 1.00 44.32 H new ATOM 0 HA ARG A 12 -5.949 -11.832 -0.292 1.00 12.01 H new ATOM 0 HB2 ARG A 12 -3.799 -13.950 -0.011 1.00 13.14 H new ATOM 0 HB3 ARG A 12 -5.421 -14.094 0.636 1.00 13.14 H new ATOM 0 HG2 ARG A 12 -6.348 -13.928 -1.660 1.00 33.12 H new ATOM 0 HG3 ARG A 12 -4.724 -13.793 -2.303 1.00 33.12 H new ATOM 0 HD2 ARG A 12 -5.753 -16.143 -0.663 1.00 62.24 H new ATOM 0 HD3 ARG A 12 -5.641 -16.120 -2.412 1.00 62.24 H new ATOM 0 HE ARG A 12 -3.082 -15.572 -1.828 1.00 21.43 H new ATOM 0 HH11 ARG A 12 -5.157 -17.727 0.045 1.00 21.12 H new ATOM 0 HH12 ARG A 12 -3.867 -18.900 0.334 1.00 21.12 H new ATOM 0 HH21 ARG A 12 -1.454 -17.124 -1.520 1.00 51.41 H new ATOM 0 HH22 ARG A 12 -1.783 -18.561 -0.546 1.00 51.41 H new ATOM 197 N PHE A 13 -3.273 -11.657 1.611 1.00 31.34 N ATOM 198 CA PHE A 13 -2.753 -11.274 2.906 1.00 12.42 C ATOM 199 C PHE A 13 -2.116 -9.902 2.825 1.00 74.31 C ATOM 200 O PHE A 13 -1.554 -9.532 1.799 1.00 45.54 O ATOM 201 CB PHE A 13 -1.694 -12.276 3.372 1.00 2.12 C ATOM 202 CG PHE A 13 -2.178 -13.686 3.471 1.00 44.32 C ATOM 203 CD1 PHE A 13 -2.118 -14.521 2.374 1.00 41.13 C ATOM 204 CD2 PHE A 13 -2.690 -14.175 4.658 1.00 2.23 C ATOM 205 CE1 PHE A 13 -2.559 -15.813 2.450 1.00 60.15 C ATOM 206 CE2 PHE A 13 -3.134 -15.475 4.745 1.00 52.11 C ATOM 207 CZ PHE A 13 -3.069 -16.297 3.639 1.00 51.11 C ATOM 0 H PHE A 13 -2.552 -11.891 0.928 1.00 31.34 H new ATOM 0 HA PHE A 13 -3.581 -11.259 3.614 1.00 12.42 H new ATOM 0 HB2 PHE A 13 -0.851 -12.242 2.682 1.00 2.12 H new ATOM 0 HB3 PHE A 13 -1.321 -11.964 4.347 1.00 2.12 H new ATOM 0 HD1 PHE A 13 -1.717 -14.149 1.443 1.00 41.13 H new ATOM 0 HD2 PHE A 13 -2.742 -13.532 5.524 1.00 2.23 H new ATOM 0 HE1 PHE A 13 -2.509 -16.454 1.582 1.00 60.15 H new ATOM 0 HE2 PHE A 13 -3.532 -15.850 5.676 1.00 52.11 H new ATOM 0 HZ PHE A 13 -3.416 -17.318 3.703 1.00 51.11 H new ATOM 217 N PHE A 14 -2.198 -9.168 3.895 1.00 10.43 N ATOM 218 CA PHE A 14 -1.595 -7.855 4.002 1.00 51.43 C ATOM 219 C PHE A 14 -0.872 -7.798 5.323 1.00 10.11 C ATOM 220 O PHE A 14 -1.286 -8.457 6.291 1.00 51.31 O ATOM 221 CB PHE A 14 -2.657 -6.751 4.003 1.00 62.33 C ATOM 222 CG PHE A 14 -3.591 -6.716 2.828 1.00 5.51 C ATOM 223 CD1 PHE A 14 -3.282 -5.993 1.696 1.00 34.02 C ATOM 224 CD2 PHE A 14 -4.796 -7.394 2.873 1.00 44.40 C ATOM 225 CE1 PHE A 14 -4.148 -5.948 0.631 1.00 3.20 C ATOM 226 CE2 PHE A 14 -5.667 -7.353 1.813 1.00 52.15 C ATOM 227 CZ PHE A 14 -5.347 -6.631 0.689 1.00 54.11 C ATOM 0 H PHE A 14 -2.692 -9.462 4.737 1.00 10.43 H new ATOM 0 HA PHE A 14 -0.930 -7.699 3.153 1.00 51.43 H new ATOM 0 HB2 PHE A 14 -3.254 -6.853 4.910 1.00 62.33 H new ATOM 0 HB3 PHE A 14 -2.148 -5.789 4.063 1.00 62.33 H new ATOM 0 HD1 PHE A 14 -2.347 -5.455 1.646 1.00 34.02 H new ATOM 0 HD2 PHE A 14 -5.055 -7.963 3.754 1.00 44.40 H new ATOM 0 HE1 PHE A 14 -3.892 -5.379 -0.251 1.00 3.20 H new ATOM 0 HE2 PHE A 14 -6.604 -7.888 1.863 1.00 52.15 H new ATOM 0 HZ PHE A 14 -6.031 -6.598 -0.146 1.00 54.11 H new ATOM 237 N GLU A 15 0.188 -7.065 5.374 1.00 1.51 N ATOM 238 CA GLU A 15 0.909 -6.882 6.567 1.00 41.34 C ATOM 239 C GLU A 15 0.264 -5.657 7.245 1.00 64.34 C ATOM 240 O GLU A 15 -0.089 -4.685 6.560 1.00 21.53 O ATOM 241 CB GLU A 15 2.353 -6.601 6.192 1.00 20.21 C ATOM 242 CG GLU A 15 3.380 -7.071 7.192 1.00 33.02 C ATOM 243 CD GLU A 15 3.143 -6.590 8.590 1.00 1.10 C ATOM 244 OE1 GLU A 15 3.616 -5.524 8.944 1.00 0.13 O ATOM 245 OE2 GLU A 15 2.464 -7.301 9.359 1.00 23.10 O ATOM 0 H GLU A 15 0.576 -6.572 4.570 1.00 1.51 H new ATOM 0 HA GLU A 15 0.889 -7.745 7.233 1.00 41.34 H new ATOM 0 HB2 GLU A 15 2.561 -7.074 5.232 1.00 20.21 H new ATOM 0 HB3 GLU A 15 2.472 -5.527 6.050 1.00 20.21 H new ATOM 0 HG2 GLU A 15 3.397 -8.161 7.193 1.00 33.02 H new ATOM 0 HG3 GLU A 15 4.366 -6.737 6.867 1.00 33.02 H new ATOM 252 N SER A 16 0.100 -5.693 8.541 1.00 2.41 N ATOM 253 CA SER A 16 -0.636 -4.646 9.216 1.00 54.04 C ATOM 254 C SER A 16 0.162 -3.901 10.297 1.00 62.41 C ATOM 255 O SER A 16 -0.412 -3.140 11.089 1.00 44.44 O ATOM 256 CB SER A 16 -1.931 -5.235 9.764 1.00 23.11 C ATOM 257 OG SER A 16 -1.676 -6.440 10.478 1.00 13.33 O ATOM 0 H SER A 16 0.461 -6.427 9.150 1.00 2.41 H new ATOM 0 HA SER A 16 -0.857 -3.874 8.479 1.00 54.04 H new ATOM 0 HB2 SER A 16 -2.415 -4.513 10.422 1.00 23.11 H new ATOM 0 HB3 SER A 16 -2.622 -5.432 8.944 1.00 23.11 H new ATOM 0 HG SER A 16 -2.519 -6.801 10.823 1.00 13.33 H new ATOM 263 N HIS A 17 1.473 -4.083 10.326 1.00 50.24 N ATOM 264 CA HIS A 17 2.323 -3.376 11.295 1.00 13.20 C ATOM 265 C HIS A 17 3.572 -2.875 10.620 1.00 11.24 C ATOM 266 O HIS A 17 4.611 -2.668 11.258 1.00 23.14 O ATOM 267 CB HIS A 17 2.690 -4.278 12.478 1.00 2.32 C ATOM 268 CG HIS A 17 1.536 -4.587 13.357 1.00 30.22 C ATOM 269 ND1 HIS A 17 1.006 -5.836 13.486 1.00 0.34 N ATOM 270 CD2 HIS A 17 0.800 -3.788 14.155 1.00 45.20 C ATOM 271 CE1 HIS A 17 -0.002 -5.797 14.315 1.00 71.34 C ATOM 272 NE2 HIS A 17 -0.156 -4.567 14.739 1.00 64.21 N ATOM 0 H HIS A 17 1.977 -4.708 9.697 1.00 50.24 H new ATOM 0 HA HIS A 17 1.758 -2.528 11.681 1.00 13.20 H new ATOM 0 HB2 HIS A 17 3.110 -5.210 12.099 1.00 2.32 H new ATOM 0 HB3 HIS A 17 3.468 -3.794 13.068 1.00 2.32 H new ATOM 0 HD2 HIS A 17 0.941 -2.728 14.304 1.00 45.20 H new ATOM 0 HE1 HIS A 17 -0.610 -6.641 14.604 1.00 71.34 H new ATOM 0 HE2 HIS A 17 -0.869 -4.246 15.394 1.00 64.21 H new ATOM 281 N VAL A 18 3.442 -2.638 9.336 1.00 14.32 N ATOM 282 CA VAL A 18 4.545 -2.248 8.477 1.00 14.12 C ATOM 283 C VAL A 18 5.235 -0.967 8.960 1.00 52.33 C ATOM 284 O VAL A 18 4.580 -0.027 9.426 1.00 41.11 O ATOM 285 CB VAL A 18 4.073 -2.051 7.015 1.00 22.42 C ATOM 286 CG1 VAL A 18 5.248 -1.784 6.090 1.00 62.14 C ATOM 287 CG2 VAL A 18 3.288 -3.253 6.535 1.00 62.34 C ATOM 0 H VAL A 18 2.551 -2.711 8.846 1.00 14.32 H new ATOM 0 HA VAL A 18 5.267 -3.063 8.520 1.00 14.12 H new ATOM 0 HB VAL A 18 3.419 -1.179 6.994 1.00 22.42 H new ATOM 0 HG11 VAL A 18 4.886 -1.650 5.071 1.00 62.14 H new ATOM 0 HG12 VAL A 18 5.767 -0.881 6.412 1.00 62.14 H new ATOM 0 HG13 VAL A 18 5.936 -2.629 6.122 1.00 62.14 H new ATOM 0 HG21 VAL A 18 2.967 -3.091 5.506 1.00 62.34 H new ATOM 0 HG22 VAL A 18 3.917 -4.142 6.583 1.00 62.34 H new ATOM 0 HG23 VAL A 18 2.413 -3.393 7.170 1.00 62.34 H new ATOM 297 N ALA A 19 6.545 -0.955 8.879 1.00 3.22 N ATOM 298 CA ALA A 19 7.326 0.204 9.218 1.00 34.40 C ATOM 299 C ALA A 19 7.714 0.926 7.935 1.00 75.54 C ATOM 300 O ALA A 19 8.321 0.332 7.048 1.00 75.30 O ATOM 301 CB ALA A 19 8.567 -0.201 10.002 1.00 31.21 C ATOM 0 H ALA A 19 7.099 -1.755 8.574 1.00 3.22 H new ATOM 0 HA ALA A 19 6.738 0.872 9.848 1.00 34.40 H new ATOM 0 HB1 ALA A 19 9.147 0.688 10.250 1.00 31.21 H new ATOM 0 HB2 ALA A 19 8.268 -0.708 10.920 1.00 31.21 H new ATOM 0 HB3 ALA A 19 9.176 -0.874 9.398 1.00 31.21 H new ATOM 307 N ARG A 20 7.376 2.200 7.841 1.00 32.03 N ATOM 308 CA ARG A 20 7.633 2.990 6.627 1.00 50.03 C ATOM 309 C ARG A 20 9.128 3.145 6.363 1.00 13.53 C ATOM 310 O ARG A 20 9.565 3.232 5.216 1.00 24.22 O ATOM 311 CB ARG A 20 6.947 4.352 6.722 1.00 62.33 C ATOM 312 CG ARG A 20 7.099 5.248 5.495 1.00 51.15 C ATOM 313 CD ARG A 20 6.251 6.490 5.666 1.00 24.45 C ATOM 314 NE ARG A 20 6.296 7.401 4.513 1.00 32.23 N ATOM 315 CZ ARG A 20 5.796 8.652 4.515 1.00 71.44 C ATOM 316 NH1 ARG A 20 5.233 9.158 5.624 1.00 70.14 N ATOM 317 NH2 ARG A 20 5.853 9.387 3.416 1.00 72.03 N ATOM 0 H ARG A 20 6.920 2.721 8.590 1.00 32.03 H new ATOM 0 HA ARG A 20 7.211 2.449 5.780 1.00 50.03 H new ATOM 0 HB2 ARG A 20 5.884 4.193 6.905 1.00 62.33 H new ATOM 0 HB3 ARG A 20 7.344 4.881 7.589 1.00 62.33 H new ATOM 0 HG2 ARG A 20 8.145 5.525 5.361 1.00 51.15 H new ATOM 0 HG3 ARG A 20 6.795 4.708 4.598 1.00 51.15 H new ATOM 0 HD2 ARG A 20 5.217 6.192 5.842 1.00 24.45 H new ATOM 0 HD3 ARG A 20 6.584 7.026 6.555 1.00 24.45 H new ATOM 0 HE ARG A 20 6.734 7.064 3.656 1.00 32.23 H new ATOM 0 HH11 ARG A 20 5.182 8.594 6.473 1.00 70.14 H new ATOM 0 HH12 ARG A 20 4.857 10.106 5.618 1.00 70.14 H new ATOM 0 HH21 ARG A 20 6.275 9.006 2.569 1.00 72.03 H new ATOM 0 HH22 ARG A 20 5.475 10.334 3.416 1.00 72.03 H new ATOM 331 N ALA A 21 9.904 3.155 7.423 1.00 14.14 N ATOM 332 CA ALA A 21 11.347 3.261 7.312 1.00 11.10 C ATOM 333 C ALA A 21 11.952 1.970 6.756 1.00 31.44 C ATOM 334 O ALA A 21 13.062 1.977 6.222 1.00 23.33 O ATOM 335 CB ALA A 21 11.959 3.593 8.663 1.00 10.24 C ATOM 0 H ALA A 21 9.559 3.091 8.381 1.00 14.14 H new ATOM 0 HA ALA A 21 11.574 4.068 6.616 1.00 11.10 H new ATOM 0 HB1 ALA A 21 13.042 3.669 8.563 1.00 10.24 H new ATOM 0 HB2 ALA A 21 11.560 4.542 9.020 1.00 10.24 H new ATOM 0 HB3 ALA A 21 11.715 2.806 9.376 1.00 10.24 H new ATOM 341 N ASN A 22 11.210 0.881 6.853 1.00 44.13 N ATOM 342 CA ASN A 22 11.699 -0.423 6.421 1.00 31.25 C ATOM 343 C ASN A 22 11.276 -0.710 4.981 1.00 0.22 C ATOM 344 O ASN A 22 11.762 -1.637 4.366 1.00 65.23 O ATOM 345 CB ASN A 22 11.188 -1.528 7.376 1.00 42.13 C ATOM 346 CG ASN A 22 11.733 -2.936 7.084 1.00 2.32 C ATOM 347 OD1 ASN A 22 12.855 -3.116 6.572 1.00 40.44 O ATOM 348 ND2 ASN A 22 10.946 -3.936 7.413 1.00 12.13 N ATOM 0 H ASN A 22 10.262 0.871 7.229 1.00 44.13 H new ATOM 0 HA ASN A 22 12.788 -0.414 6.454 1.00 31.25 H new ATOM 0 HB2 ASN A 22 11.452 -1.256 8.398 1.00 42.13 H new ATOM 0 HB3 ASN A 22 10.100 -1.557 7.325 1.00 42.13 H new ATOM 0 HD21 ASN A 22 11.247 -4.897 7.251 1.00 12.13 H new ATOM 0 HD22 ASN A 22 10.034 -3.751 7.830 1.00 12.13 H new ATOM 355 N VAL A 23 10.379 0.091 4.435 1.00 52.13 N ATOM 356 CA VAL A 23 9.939 -0.121 3.066 1.00 1.31 C ATOM 357 C VAL A 23 10.869 0.588 2.072 1.00 72.01 C ATOM 358 O VAL A 23 11.225 1.750 2.262 1.00 51.30 O ATOM 359 CB VAL A 23 8.476 0.347 2.844 1.00 73.21 C ATOM 360 CG1 VAL A 23 8.045 0.111 1.419 1.00 42.44 C ATOM 361 CG2 VAL A 23 7.540 -0.363 3.799 1.00 33.32 C ATOM 0 H VAL A 23 9.946 0.883 4.909 1.00 52.13 H new ATOM 0 HA VAL A 23 9.979 -1.196 2.887 1.00 1.31 H new ATOM 0 HB VAL A 23 8.432 1.418 3.042 1.00 73.21 H new ATOM 0 HG11 VAL A 23 7.016 0.447 1.290 1.00 42.44 H new ATOM 0 HG12 VAL A 23 8.696 0.667 0.745 1.00 42.44 H new ATOM 0 HG13 VAL A 23 8.110 -0.953 1.191 1.00 42.44 H new ATOM 0 HG21 VAL A 23 6.519 -0.022 3.629 1.00 33.32 H new ATOM 0 HG22 VAL A 23 7.596 -1.439 3.631 1.00 33.32 H new ATOM 0 HG23 VAL A 23 7.830 -0.140 4.826 1.00 33.32 H new ATOM 371 N LYS A 24 11.266 -0.128 1.029 1.00 54.34 N ATOM 372 CA LYS A 24 12.120 0.416 -0.017 1.00 22.41 C ATOM 373 C LYS A 24 11.290 1.074 -1.088 1.00 72.32 C ATOM 374 O LYS A 24 11.691 2.077 -1.683 1.00 63.13 O ATOM 375 CB LYS A 24 12.959 -0.685 -0.701 1.00 61.41 C ATOM 376 CG LYS A 24 12.130 -1.788 -1.351 1.00 10.33 C ATOM 377 CD LYS A 24 12.903 -2.605 -2.365 1.00 33.51 C ATOM 378 CE LYS A 24 13.375 -1.726 -3.504 1.00 73.34 C ATOM 379 NZ LYS A 24 14.022 -2.513 -4.576 1.00 34.44 N ATOM 0 H LYS A 24 11.005 -1.103 0.884 1.00 54.34 H new ATOM 0 HA LYS A 24 12.779 1.137 0.466 1.00 22.41 H new ATOM 0 HB2 LYS A 24 13.591 -0.225 -1.461 1.00 61.41 H new ATOM 0 HB3 LYS A 24 13.623 -1.133 0.038 1.00 61.41 H new ATOM 0 HG2 LYS A 24 11.750 -2.452 -0.574 1.00 10.33 H new ATOM 0 HG3 LYS A 24 11.264 -1.341 -1.840 1.00 10.33 H new ATOM 0 HD2 LYS A 24 13.759 -3.078 -1.884 1.00 33.51 H new ATOM 0 HD3 LYS A 24 12.273 -3.406 -2.752 1.00 33.51 H new ATOM 0 HE2 LYS A 24 12.527 -1.179 -3.916 1.00 73.34 H new ATOM 0 HE3 LYS A 24 14.078 -0.985 -3.123 1.00 73.34 H new ATOM 0 HZ1 LYS A 24 14.331 -1.875 -5.337 1.00 34.44 H new ATOM 0 HZ2 LYS A 24 14.847 -3.015 -4.189 1.00 34.44 H new ATOM 0 HZ3 LYS A 24 13.344 -3.203 -4.957 1.00 34.44 H new ATOM 393 N HIS A 25 10.130 0.523 -1.317 1.00 21.03 N ATOM 394 CA HIS A 25 9.333 0.892 -2.445 1.00 75.34 C ATOM 395 C HIS A 25 7.874 0.523 -2.241 1.00 32.10 C ATOM 396 O HIS A 25 7.542 -0.649 -2.043 1.00 73.32 O ATOM 397 CB HIS A 25 9.934 0.179 -3.672 1.00 64.41 C ATOM 398 CG HIS A 25 9.168 0.260 -4.947 1.00 12.02 C ATOM 399 ND1 HIS A 25 8.648 1.417 -5.470 1.00 32.55 N ATOM 400 CD2 HIS A 25 8.831 -0.713 -5.786 1.00 55.21 C ATOM 401 CE1 HIS A 25 8.012 1.142 -6.584 1.00 11.40 C ATOM 402 NE2 HIS A 25 8.109 -0.151 -6.803 1.00 41.42 N ATOM 0 H HIS A 25 9.714 -0.195 -0.724 1.00 21.03 H new ATOM 0 HA HIS A 25 9.348 1.973 -2.588 1.00 75.34 H new ATOM 0 HB2 HIS A 25 10.928 0.589 -3.848 1.00 64.41 H new ATOM 0 HB3 HIS A 25 10.063 -0.874 -3.422 1.00 64.41 H new ATOM 0 HD2 HIS A 25 9.082 -1.759 -5.684 1.00 55.21 H new ATOM 0 HE1 HIS A 25 7.498 1.854 -7.212 1.00 11.40 H new ATOM 0 HE2 HIS A 25 7.712 -0.651 -7.598 1.00 41.42 H new ATOM 411 N LEU A 26 7.032 1.526 -2.281 1.00 43.32 N ATOM 412 CA LEU A 26 5.591 1.377 -2.160 1.00 41.31 C ATOM 413 C LEU A 26 4.973 1.470 -3.542 1.00 1.21 C ATOM 414 O LEU A 26 5.336 2.352 -4.329 1.00 31.55 O ATOM 415 CB LEU A 26 5.018 2.513 -1.299 1.00 32.11 C ATOM 416 CG LEU A 26 5.410 2.549 0.183 1.00 13.34 C ATOM 417 CD1 LEU A 26 4.935 3.841 0.819 1.00 35.04 C ATOM 418 CD2 LEU A 26 4.778 1.388 0.909 1.00 3.32 C ATOM 0 H LEU A 26 7.330 2.494 -2.401 1.00 43.32 H new ATOM 0 HA LEU A 26 5.367 0.416 -1.698 1.00 41.31 H new ATOM 0 HB2 LEU A 26 5.318 3.459 -1.749 1.00 32.11 H new ATOM 0 HB3 LEU A 26 3.931 2.463 -1.358 1.00 32.11 H new ATOM 0 HG LEU A 26 6.496 2.484 0.255 1.00 13.34 H new ATOM 0 HD11 LEU A 26 5.219 3.855 1.871 1.00 35.04 H new ATOM 0 HD12 LEU A 26 5.393 4.688 0.308 1.00 35.04 H new ATOM 0 HD13 LEU A 26 3.850 3.910 0.735 1.00 35.04 H new ATOM 0 HD21 LEU A 26 5.061 1.420 1.961 1.00 3.32 H new ATOM 0 HD22 LEU A 26 3.693 1.452 0.822 1.00 3.32 H new ATOM 0 HD23 LEU A 26 5.123 0.452 0.469 1.00 3.32 H new ATOM 430 N LYS A 27 4.086 0.574 -3.853 1.00 71.31 N ATOM 431 CA LYS A 27 3.393 0.616 -5.107 1.00 5.20 C ATOM 432 C LYS A 27 1.983 0.102 -4.845 1.00 40.43 C ATOM 433 O LYS A 27 1.792 -1.059 -4.538 1.00 53.23 O ATOM 434 CB LYS A 27 4.109 -0.288 -6.127 1.00 65.11 C ATOM 435 CG LYS A 27 4.019 0.181 -7.593 1.00 12.51 C ATOM 436 CD LYS A 27 2.599 0.250 -8.118 1.00 75.20 C ATOM 437 CE LYS A 27 1.950 -1.109 -8.113 1.00 11.43 C ATOM 438 NZ LYS A 27 0.585 -1.066 -8.656 1.00 64.12 N ATOM 0 H LYS A 27 3.822 -0.204 -3.248 1.00 71.31 H new ATOM 0 HA LYS A 27 3.369 1.627 -5.514 1.00 5.20 H new ATOM 0 HB2 LYS A 27 5.160 -0.361 -5.849 1.00 65.11 H new ATOM 0 HB3 LYS A 27 3.690 -1.292 -6.057 1.00 65.11 H new ATOM 0 HG2 LYS A 27 4.479 1.165 -7.680 1.00 12.51 H new ATOM 0 HG3 LYS A 27 4.597 -0.498 -8.220 1.00 12.51 H new ATOM 0 HD2 LYS A 27 2.015 0.937 -7.506 1.00 75.20 H new ATOM 0 HD3 LYS A 27 2.602 0.651 -9.132 1.00 75.20 H new ATOM 0 HE2 LYS A 27 2.553 -1.801 -8.701 1.00 11.43 H new ATOM 0 HE3 LYS A 27 1.923 -1.495 -7.094 1.00 11.43 H new ATOM 0 HZ1 LYS A 27 0.155 -2.010 -8.588 1.00 64.12 H new ATOM 0 HZ2 LYS A 27 0.016 -0.386 -8.112 1.00 64.12 H new ATOM 0 HZ3 LYS A 27 0.617 -0.771 -9.653 1.00 64.12 H new ATOM 452 N ILE A 28 1.016 0.953 -4.943 1.00 74.43 N ATOM 453 CA ILE A 28 -0.339 0.554 -4.628 1.00 34.13 C ATOM 454 C ILE A 28 -1.099 0.088 -5.884 1.00 72.32 C ATOM 455 O ILE A 28 -1.001 0.691 -6.957 1.00 72.45 O ATOM 456 CB ILE A 28 -1.132 1.652 -3.868 1.00 1.32 C ATOM 457 CG1 ILE A 28 -0.335 2.117 -2.649 1.00 32.53 C ATOM 458 CG2 ILE A 28 -2.458 1.085 -3.397 1.00 72.33 C ATOM 459 CD1 ILE A 28 -1.061 3.119 -1.768 1.00 62.22 C ATOM 0 H ILE A 28 1.124 1.924 -5.235 1.00 74.43 H new ATOM 0 HA ILE A 28 -0.254 -0.295 -3.949 1.00 34.13 H new ATOM 0 HB ILE A 28 -1.303 2.494 -4.539 1.00 1.32 H new ATOM 0 HG12 ILE A 28 -0.073 1.246 -2.048 1.00 32.53 H new ATOM 0 HG13 ILE A 28 0.600 2.562 -2.990 1.00 32.53 H new ATOM 0 HG21 ILE A 28 -3.014 1.856 -2.864 1.00 72.33 H new ATOM 0 HG22 ILE A 28 -3.037 0.750 -4.258 1.00 72.33 H new ATOM 0 HG23 ILE A 28 -2.277 0.242 -2.731 1.00 72.33 H new ATOM 0 HD11 ILE A 28 -0.423 3.394 -0.928 1.00 62.22 H new ATOM 0 HD12 ILE A 28 -1.299 4.010 -2.350 1.00 62.22 H new ATOM 0 HD13 ILE A 28 -1.982 2.673 -1.393 1.00 62.22 H new ATOM 471 N LEU A 29 -1.807 -0.992 -5.739 1.00 54.15 N ATOM 472 CA LEU A 29 -2.549 -1.628 -6.799 1.00 21.51 C ATOM 473 C LEU A 29 -4.047 -1.535 -6.499 1.00 73.55 C ATOM 474 O LEU A 29 -4.466 -1.721 -5.365 1.00 51.21 O ATOM 475 CB LEU A 29 -2.105 -3.098 -6.853 1.00 24.02 C ATOM 476 CG LEU A 29 -2.748 -4.005 -7.896 1.00 1.15 C ATOM 477 CD1 LEU A 29 -2.562 -3.449 -9.290 1.00 54.33 C ATOM 478 CD2 LEU A 29 -2.130 -5.377 -7.811 1.00 60.23 C ATOM 0 H LEU A 29 -1.890 -1.477 -4.846 1.00 54.15 H new ATOM 0 HA LEU A 29 -2.362 -1.142 -7.757 1.00 21.51 H new ATOM 0 HB2 LEU A 29 -1.027 -3.115 -7.016 1.00 24.02 H new ATOM 0 HB3 LEU A 29 -2.286 -3.537 -5.872 1.00 24.02 H new ATOM 0 HG LEU A 29 -3.817 -4.064 -7.693 1.00 1.15 H new ATOM 0 HD11 LEU A 29 -3.031 -4.116 -10.013 1.00 54.33 H new ATOM 0 HD12 LEU A 29 -3.024 -2.464 -9.353 1.00 54.33 H new ATOM 0 HD13 LEU A 29 -1.498 -3.366 -9.510 1.00 54.33 H new ATOM 0 HD21 LEU A 29 -2.587 -6.029 -8.555 1.00 60.23 H new ATOM 0 HD22 LEU A 29 -1.059 -5.306 -8.000 1.00 60.23 H new ATOM 0 HD23 LEU A 29 -2.296 -5.790 -6.816 1.00 60.23 H new ATOM 490 N ASN A 30 -4.844 -1.224 -7.482 1.00 70.54 N ATOM 491 CA ASN A 30 -6.275 -1.185 -7.257 1.00 44.21 C ATOM 492 C ASN A 30 -6.979 -2.219 -8.109 1.00 74.30 C ATOM 493 O ASN A 30 -6.703 -2.354 -9.303 1.00 62.04 O ATOM 494 CB ASN A 30 -6.892 0.217 -7.480 1.00 31.50 C ATOM 495 CG ASN A 30 -6.837 0.713 -8.921 1.00 54.13 C ATOM 496 OD1 ASN A 30 -7.747 0.448 -9.715 1.00 30.12 O ATOM 497 ND2 ASN A 30 -5.806 1.448 -9.262 1.00 44.10 N ATOM 0 H ASN A 30 -4.544 -0.997 -8.430 1.00 70.54 H new ATOM 0 HA ASN A 30 -6.426 -1.424 -6.204 1.00 44.21 H new ATOM 0 HB2 ASN A 30 -7.933 0.197 -7.156 1.00 31.50 H new ATOM 0 HB3 ASN A 30 -6.373 0.933 -6.843 1.00 31.50 H new ATOM 0 HD21 ASN A 30 -5.737 1.821 -10.209 1.00 44.10 H new ATOM 0 HD22 ASN A 30 -5.073 1.647 -8.581 1.00 44.10 H new ATOM 504 N THR A 31 -7.836 -2.975 -7.492 1.00 43.13 N ATOM 505 CA THR A 31 -8.616 -3.963 -8.172 1.00 75.33 C ATOM 506 C THR A 31 -10.099 -3.665 -7.909 1.00 74.15 C ATOM 507 O THR A 31 -10.464 -3.403 -6.780 1.00 41.21 O ATOM 508 CB THR A 31 -8.264 -5.356 -7.633 1.00 43.42 C ATOM 509 OG1 THR A 31 -6.856 -5.577 -7.742 1.00 73.21 O ATOM 510 CG2 THR A 31 -9.000 -6.453 -8.373 1.00 23.13 C ATOM 0 H THR A 31 -8.015 -2.922 -6.489 1.00 43.13 H new ATOM 0 HA THR A 31 -8.411 -3.938 -9.242 1.00 75.33 H new ATOM 0 HB THR A 31 -8.572 -5.389 -6.588 1.00 43.42 H new ATOM 0 HG1 THR A 31 -6.690 -6.358 -8.311 1.00 73.21 H new ATOM 0 HG21 THR A 31 -8.721 -7.422 -7.959 1.00 23.13 H new ATOM 0 HG22 THR A 31 -10.075 -6.308 -8.264 1.00 23.13 H new ATOM 0 HG23 THR A 31 -8.735 -6.420 -9.430 1.00 23.13 H new ATOM 518 N PRO A 32 -10.950 -3.694 -8.954 1.00 75.31 N ATOM 519 CA PRO A 32 -12.393 -3.384 -8.861 1.00 23.24 C ATOM 520 C PRO A 32 -13.119 -3.928 -7.607 1.00 62.14 C ATOM 521 O PRO A 32 -13.715 -3.163 -6.857 1.00 4.22 O ATOM 522 CB PRO A 32 -12.956 -4.033 -10.114 1.00 43.25 C ATOM 523 CG PRO A 32 -11.866 -3.914 -11.115 1.00 42.05 C ATOM 524 CD PRO A 32 -10.567 -4.004 -10.350 1.00 12.04 C ATOM 0 HA PRO A 32 -12.541 -2.307 -8.777 1.00 23.24 H new ATOM 0 HB2 PRO A 32 -13.220 -5.076 -9.937 1.00 43.25 H new ATOM 0 HB3 PRO A 32 -13.861 -3.528 -10.451 1.00 43.25 H new ATOM 0 HG2 PRO A 32 -11.934 -4.708 -11.858 1.00 42.05 H new ATOM 0 HG3 PRO A 32 -11.935 -2.968 -11.652 1.00 42.05 H new ATOM 0 HD2 PRO A 32 -10.124 -4.997 -10.431 1.00 12.04 H new ATOM 0 HD3 PRO A 32 -9.831 -3.295 -10.729 1.00 12.04 H new ATOM 532 N ASN A 33 -13.042 -5.227 -7.368 1.00 60.52 N ATOM 533 CA ASN A 33 -13.810 -5.829 -6.270 1.00 70.00 C ATOM 534 C ASN A 33 -12.924 -6.184 -5.104 1.00 22.32 C ATOM 535 O ASN A 33 -13.386 -6.285 -3.971 1.00 31.34 O ATOM 536 CB ASN A 33 -14.588 -7.072 -6.733 1.00 63.00 C ATOM 537 CG ASN A 33 -15.577 -6.780 -7.850 1.00 23.32 C ATOM 538 OD1 ASN A 33 -16.734 -6.438 -7.606 1.00 34.31 O ATOM 539 ND2 ASN A 33 -15.136 -6.921 -9.076 1.00 63.53 N ATOM 0 H ASN A 33 -12.470 -5.881 -7.903 1.00 60.52 H new ATOM 0 HA ASN A 33 -14.528 -5.076 -5.944 1.00 70.00 H new ATOM 0 HB2 ASN A 33 -13.881 -7.829 -7.072 1.00 63.00 H new ATOM 0 HB3 ASN A 33 -15.124 -7.494 -5.883 1.00 63.00 H new ATOM 0 HD21 ASN A 33 -15.758 -6.746 -9.865 1.00 63.53 H new ATOM 0 HD22 ASN A 33 -14.171 -7.206 -9.241 1.00 63.53 H new ATOM 546 N CYS A 34 -11.649 -6.366 -5.374 1.00 22.10 N ATOM 547 CA CYS A 34 -10.696 -6.718 -4.329 1.00 72.04 C ATOM 548 C CYS A 34 -10.171 -5.464 -3.646 1.00 33.32 C ATOM 549 O CYS A 34 -9.384 -5.534 -2.678 1.00 74.15 O ATOM 550 CB CYS A 34 -9.561 -7.543 -4.907 1.00 24.30 C ATOM 551 SG CYS A 34 -10.124 -9.065 -5.724 1.00 74.13 S ATOM 0 H CYS A 34 -11.243 -6.277 -6.306 1.00 22.10 H new ATOM 0 HA CYS A 34 -11.204 -7.322 -3.578 1.00 72.04 H new ATOM 0 HB2 CYS A 34 -9.009 -6.936 -5.625 1.00 24.30 H new ATOM 0 HB3 CYS A 34 -8.866 -7.803 -4.108 1.00 24.30 H new ATOM 556 N ALA A 35 -10.613 -4.318 -4.180 1.00 13.21 N ATOM 557 CA ALA A 35 -10.351 -3.000 -3.646 1.00 35.55 C ATOM 558 C ALA A 35 -8.879 -2.598 -3.752 1.00 74.20 C ATOM 559 O ALA A 35 -8.084 -3.230 -4.493 1.00 4.21 O ATOM 560 CB ALA A 35 -10.868 -2.915 -2.228 1.00 24.51 C ATOM 0 H ALA A 35 -11.182 -4.296 -5.026 1.00 13.21 H new ATOM 0 HA ALA A 35 -10.888 -2.275 -4.257 1.00 35.55 H new ATOM 0 HB1 ALA A 35 -10.670 -1.921 -1.827 1.00 24.51 H new ATOM 0 HB2 ALA A 35 -11.942 -3.102 -2.220 1.00 24.51 H new ATOM 0 HB3 ALA A 35 -10.366 -3.661 -1.612 1.00 24.51 H new ATOM 566 N LEU A 36 -8.536 -1.535 -3.056 1.00 64.10 N ATOM 567 CA LEU A 36 -7.257 -0.990 -3.024 1.00 23.33 C ATOM 568 C LEU A 36 -6.327 -1.916 -2.220 1.00 0.21 C ATOM 569 O LEU A 36 -6.645 -2.299 -1.089 1.00 73.42 O ATOM 570 CB LEU A 36 -7.390 0.361 -2.357 1.00 54.23 C ATOM 571 CG LEU A 36 -6.167 1.180 -2.313 1.00 33.11 C ATOM 572 CD1 LEU A 36 -5.768 1.625 -3.716 1.00 24.11 C ATOM 573 CD2 LEU A 36 -6.305 2.346 -1.357 1.00 62.30 C ATOM 0 H LEU A 36 -9.201 -1.023 -2.476 1.00 64.10 H new ATOM 0 HA LEU A 36 -6.829 -0.884 -4.021 1.00 23.33 H new ATOM 0 HB2 LEU A 36 -8.164 0.926 -2.876 1.00 54.23 H new ATOM 0 HB3 LEU A 36 -7.738 0.208 -1.336 1.00 54.23 H new ATOM 0 HG LEU A 36 -5.359 0.561 -1.923 1.00 33.11 H new ATOM 0 HD11 LEU A 36 -4.862 2.229 -3.662 1.00 24.11 H new ATOM 0 HD12 LEU A 36 -5.583 0.748 -4.337 1.00 24.11 H new ATOM 0 HD13 LEU A 36 -6.573 2.216 -4.153 1.00 24.11 H new ATOM 0 HD21 LEU A 36 -5.382 2.925 -1.354 1.00 62.30 H new ATOM 0 HD22 LEU A 36 -7.131 2.982 -1.676 1.00 62.30 H new ATOM 0 HD23 LEU A 36 -6.502 1.972 -0.352 1.00 62.30 H new ATOM 585 N GLN A 37 -5.218 -2.278 -2.812 1.00 32.32 N ATOM 586 CA GLN A 37 -4.256 -3.204 -2.240 1.00 53.20 C ATOM 587 C GLN A 37 -2.864 -2.641 -2.430 1.00 54.00 C ATOM 588 O GLN A 37 -2.492 -2.275 -3.521 1.00 51.34 O ATOM 589 CB GLN A 37 -4.386 -4.532 -2.976 1.00 43.00 C ATOM 590 CG GLN A 37 -5.740 -5.170 -2.790 1.00 35.01 C ATOM 591 CD GLN A 37 -6.040 -6.202 -3.819 1.00 20.24 C ATOM 592 OE1 GLN A 37 -5.742 -7.389 -3.664 1.00 41.52 O ATOM 593 NE2 GLN A 37 -6.656 -5.760 -4.874 1.00 35.45 N ATOM 0 H GLN A 37 -4.945 -1.931 -3.731 1.00 32.32 H new ATOM 0 HA GLN A 37 -4.439 -3.351 -1.175 1.00 53.20 H new ATOM 0 HB2 GLN A 37 -4.207 -4.373 -4.039 1.00 43.00 H new ATOM 0 HB3 GLN A 37 -3.615 -5.216 -2.622 1.00 43.00 H new ATOM 0 HG2 GLN A 37 -5.789 -5.625 -1.801 1.00 35.01 H new ATOM 0 HG3 GLN A 37 -6.508 -4.397 -2.823 1.00 35.01 H new ATOM 0 HE21 GLN A 37 -6.881 -4.768 -4.955 1.00 35.45 H new ATOM 0 HE22 GLN A 37 -6.915 -6.405 -5.621 1.00 35.45 H new ATOM 602 N ILE A 38 -2.107 -2.574 -1.399 1.00 24.44 N ATOM 603 CA ILE A 38 -0.801 -1.965 -1.486 1.00 64.34 C ATOM 604 C ILE A 38 0.257 -3.041 -1.608 1.00 44.11 C ATOM 605 O ILE A 38 0.142 -4.077 -0.994 1.00 14.43 O ATOM 606 CB ILE A 38 -0.538 -1.157 -0.219 1.00 12.20 C ATOM 607 CG1 ILE A 38 -1.629 -0.116 -0.010 1.00 24.44 C ATOM 608 CG2 ILE A 38 0.863 -0.510 -0.226 1.00 63.42 C ATOM 609 CD1 ILE A 38 -1.535 0.583 1.308 1.00 13.15 C ATOM 0 H ILE A 38 -2.355 -2.929 -0.476 1.00 24.44 H new ATOM 0 HA ILE A 38 -0.765 -1.315 -2.360 1.00 64.34 H new ATOM 0 HB ILE A 38 -0.561 -1.849 0.623 1.00 12.20 H new ATOM 0 HG12 ILE A 38 -1.575 0.623 -0.810 1.00 24.44 H new ATOM 0 HG13 ILE A 38 -2.603 -0.600 -0.088 1.00 24.44 H new ATOM 0 HG21 ILE A 38 1.007 0.055 0.695 1.00 63.42 H new ATOM 0 HG22 ILE A 38 1.623 -1.288 -0.297 1.00 63.42 H new ATOM 0 HG23 ILE A 38 0.950 0.161 -1.081 1.00 63.42 H new ATOM 0 HD11 ILE A 38 -2.342 1.311 1.392 1.00 13.15 H new ATOM 0 HD12 ILE A 38 -1.619 -0.146 2.114 1.00 13.15 H new ATOM 0 HD13 ILE A 38 -0.575 1.095 1.381 1.00 13.15 H new ATOM 621 N VAL A 39 1.255 -2.797 -2.419 1.00 74.13 N ATOM 622 CA VAL A 39 2.380 -3.699 -2.565 1.00 70.31 C ATOM 623 C VAL A 39 3.644 -2.944 -2.193 1.00 11.15 C ATOM 624 O VAL A 39 3.906 -1.867 -2.722 1.00 65.42 O ATOM 625 CB VAL A 39 2.511 -4.216 -4.026 1.00 51.42 C ATOM 626 CG1 VAL A 39 3.724 -5.116 -4.191 1.00 62.41 C ATOM 627 CG2 VAL A 39 1.242 -4.930 -4.477 1.00 21.22 C ATOM 0 H VAL A 39 1.315 -1.963 -3.003 1.00 74.13 H new ATOM 0 HA VAL A 39 2.226 -4.561 -1.915 1.00 70.31 H new ATOM 0 HB VAL A 39 2.653 -3.345 -4.666 1.00 51.42 H new ATOM 0 HG11 VAL A 39 3.785 -5.459 -5.224 1.00 62.41 H new ATOM 0 HG12 VAL A 39 4.627 -4.559 -3.940 1.00 62.41 H new ATOM 0 HG13 VAL A 39 3.632 -5.976 -3.528 1.00 62.41 H new ATOM 0 HG21 VAL A 39 1.366 -5.279 -5.502 1.00 21.22 H new ATOM 0 HG22 VAL A 39 1.052 -5.782 -3.824 1.00 21.22 H new ATOM 0 HG23 VAL A 39 0.399 -4.240 -4.428 1.00 21.22 H new ATOM 637 N ALA A 40 4.402 -3.475 -1.292 1.00 14.05 N ATOM 638 CA ALA A 40 5.607 -2.824 -0.868 1.00 24.23 C ATOM 639 C ALA A 40 6.688 -3.818 -0.585 1.00 2.43 C ATOM 640 O ALA A 40 6.421 -4.918 -0.103 1.00 33.23 O ATOM 641 CB ALA A 40 5.345 -2.027 0.372 1.00 45.03 C ATOM 0 H ALA A 40 4.211 -4.364 -0.830 1.00 14.05 H new ATOM 0 HA ALA A 40 5.934 -2.168 -1.675 1.00 24.23 H new ATOM 0 HB1 ALA A 40 6.264 -1.535 0.689 1.00 45.03 H new ATOM 0 HB2 ALA A 40 4.583 -1.275 0.167 1.00 45.03 H new ATOM 0 HB3 ALA A 40 4.997 -2.690 1.164 1.00 45.03 H new ATOM 647 N ARG A 41 7.887 -3.462 -0.909 1.00 44.14 N ATOM 648 CA ARG A 41 9.008 -4.259 -0.573 1.00 42.41 C ATOM 649 C ARG A 41 9.813 -3.661 0.523 1.00 62.30 C ATOM 650 O ARG A 41 9.927 -2.443 0.631 1.00 3.22 O ATOM 651 CB ARG A 41 9.833 -4.608 -1.776 1.00 2.14 C ATOM 652 CG ARG A 41 9.504 -5.977 -2.257 1.00 65.32 C ATOM 653 CD ARG A 41 10.168 -6.340 -3.519 1.00 71.42 C ATOM 654 NE ARG A 41 9.713 -5.527 -4.650 1.00 51.44 N ATOM 655 CZ ARG A 41 9.931 -5.847 -5.927 1.00 23.24 C ATOM 656 NH1 ARG A 41 10.659 -6.911 -6.228 1.00 24.24 N ATOM 657 NH2 ARG A 41 9.422 -5.111 -6.901 1.00 74.04 N ATOM 0 H ARG A 41 8.112 -2.606 -1.416 1.00 44.14 H new ATOM 0 HA ARG A 41 8.622 -5.202 -0.185 1.00 42.41 H new ATOM 0 HB2 ARG A 41 9.652 -3.884 -2.571 1.00 2.14 H new ATOM 0 HB3 ARG A 41 10.892 -4.549 -1.527 1.00 2.14 H new ATOM 0 HG2 ARG A 41 9.784 -6.698 -1.490 1.00 65.32 H new ATOM 0 HG3 ARG A 41 8.425 -6.056 -2.390 1.00 65.32 H new ATOM 0 HD2 ARG A 41 11.246 -6.225 -3.404 1.00 71.42 H new ATOM 0 HD3 ARG A 41 9.981 -7.392 -3.734 1.00 71.42 H new ATOM 0 HE ARG A 41 9.201 -4.668 -4.450 1.00 51.44 H new ATOM 0 HH11 ARG A 41 11.053 -7.486 -5.484 1.00 24.24 H new ATOM 0 HH12 ARG A 41 10.826 -7.155 -7.204 1.00 24.24 H new ATOM 0 HH21 ARG A 41 8.857 -4.291 -6.679 1.00 74.04 H new ATOM 0 HH22 ARG A 41 9.594 -5.363 -7.874 1.00 74.04 H new ATOM 671 N LEU A 42 10.341 -4.509 1.345 1.00 11.24 N ATOM 672 CA LEU A 42 11.129 -4.101 2.479 1.00 43.24 C ATOM 673 C LEU A 42 12.572 -3.896 2.051 1.00 71.22 C ATOM 674 O LEU A 42 13.027 -4.501 1.096 1.00 75.31 O ATOM 675 CB LEU A 42 11.055 -5.179 3.557 1.00 41.03 C ATOM 676 CG LEU A 42 9.628 -5.607 3.966 1.00 11.30 C ATOM 677 CD1 LEU A 42 9.659 -6.759 4.956 1.00 53.02 C ATOM 678 CD2 LEU A 42 8.852 -4.427 4.548 1.00 11.04 C ATOM 0 H LEU A 42 10.240 -5.520 1.253 1.00 11.24 H new ATOM 0 HA LEU A 42 10.741 -3.164 2.877 1.00 43.24 H new ATOM 0 HB2 LEU A 42 11.594 -6.059 3.205 1.00 41.03 H new ATOM 0 HB3 LEU A 42 11.577 -4.819 4.444 1.00 41.03 H new ATOM 0 HG LEU A 42 9.117 -5.948 3.066 1.00 11.30 H new ATOM 0 HD11 LEU A 42 8.639 -7.036 5.224 1.00 53.02 H new ATOM 0 HD12 LEU A 42 10.161 -7.614 4.503 1.00 53.02 H new ATOM 0 HD13 LEU A 42 10.199 -6.454 5.852 1.00 53.02 H new ATOM 0 HD21 LEU A 42 7.850 -4.753 4.829 1.00 11.04 H new ATOM 0 HD22 LEU A 42 9.371 -4.049 5.429 1.00 11.04 H new ATOM 0 HD23 LEU A 42 8.780 -3.635 3.802 1.00 11.04 H new ATOM 690 N LYS A 43 13.267 -3.055 2.750 1.00 20.55 N ATOM 691 CA LYS A 43 14.649 -2.761 2.463 1.00 74.21 C ATOM 692 C LYS A 43 15.553 -3.853 2.996 1.00 75.40 C ATOM 693 O LYS A 43 16.310 -4.484 2.248 1.00 42.54 O ATOM 694 CB LYS A 43 15.054 -1.438 3.114 1.00 31.55 C ATOM 695 CG LYS A 43 14.288 -0.225 2.637 1.00 42.42 C ATOM 696 CD LYS A 43 14.747 1.043 3.337 1.00 72.01 C ATOM 697 CE LYS A 43 16.219 1.317 3.078 1.00 33.24 C ATOM 698 NZ LYS A 43 16.683 2.559 3.723 1.00 61.51 N ATOM 0 H LYS A 43 12.892 -2.543 3.548 1.00 20.55 H new ATOM 0 HA LYS A 43 14.756 -2.695 1.380 1.00 74.21 H new ATOM 0 HB2 LYS A 43 14.926 -1.528 4.193 1.00 31.55 H new ATOM 0 HB3 LYS A 43 16.116 -1.272 2.932 1.00 31.55 H new ATOM 0 HG2 LYS A 43 14.418 -0.113 1.561 1.00 42.42 H new ATOM 0 HG3 LYS A 43 13.223 -0.374 2.816 1.00 42.42 H new ATOM 0 HD2 LYS A 43 14.152 1.888 2.990 1.00 72.01 H new ATOM 0 HD3 LYS A 43 14.576 0.951 4.409 1.00 72.01 H new ATOM 0 HE2 LYS A 43 16.811 0.478 3.443 1.00 33.24 H new ATOM 0 HE3 LYS A 43 16.390 1.384 2.003 1.00 33.24 H new ATOM 0 HZ1 LYS A 43 17.692 2.701 3.517 1.00 61.51 H new ATOM 0 HZ2 LYS A 43 16.138 3.365 3.356 1.00 61.51 H new ATOM 0 HZ3 LYS A 43 16.547 2.488 4.752 1.00 61.51 H new ATOM 712 N ASN A 44 15.438 -4.107 4.283 1.00 52.51 N ATOM 713 CA ASN A 44 16.352 -5.015 4.958 1.00 3.12 C ATOM 714 C ASN A 44 16.002 -6.462 4.654 1.00 63.23 C ATOM 715 O ASN A 44 16.882 -7.318 4.538 1.00 35.11 O ATOM 716 CB ASN A 44 16.332 -4.777 6.473 1.00 32.30 C ATOM 717 CG ASN A 44 17.382 -5.587 7.241 1.00 73.31 C ATOM 718 OD1 ASN A 44 18.558 -5.760 6.673 1.00 23.14 O flip ATOM 719 ND2 ASN A 44 17.143 -6.008 8.367 1.00 54.41 N flip ATOM 0 H ASN A 44 14.723 -3.700 4.885 1.00 52.51 H new ATOM 0 HA ASN A 44 17.357 -4.816 4.585 1.00 3.12 H new ATOM 0 HB2 ASN A 44 16.492 -3.716 6.667 1.00 32.30 H new ATOM 0 HB3 ASN A 44 15.343 -5.026 6.857 1.00 32.30 H new ATOM 0 HD21 ASN A 44 16.223 -5.860 8.782 1.00 54.41 H new ATOM 0 HD22 ASN A 44 17.864 -6.507 8.889 1.00 54.41 H new ATOM 726 N ASN A 45 14.726 -6.729 4.499 1.00 21.22 N ATOM 727 CA ASN A 45 14.279 -8.094 4.243 1.00 53.31 C ATOM 728 C ASN A 45 14.203 -8.333 2.725 1.00 23.33 C ATOM 729 O ASN A 45 14.461 -9.429 2.247 1.00 44.10 O ATOM 730 CB ASN A 45 12.887 -8.309 4.835 1.00 40.12 C ATOM 731 CG ASN A 45 12.526 -9.777 5.025 1.00 53.43 C ATOM 732 OD1 ASN A 45 13.072 -10.658 4.374 1.00 74.33 O ATOM 733 ND2 ASN A 45 11.546 -10.035 5.857 1.00 2.44 N ATOM 0 H ASN A 45 13.981 -6.034 4.543 1.00 21.22 H new ATOM 0 HA ASN A 45 14.986 -8.785 4.701 1.00 53.31 H new ATOM 0 HB2 ASN A 45 12.828 -7.801 5.798 1.00 40.12 H new ATOM 0 HB3 ASN A 45 12.148 -7.843 4.183 1.00 40.12 H new ATOM 0 HD21 ASN A 45 11.217 -10.993 5.977 1.00 2.44 H new ATOM 0 HD22 ASN A 45 11.112 -9.278 6.385 1.00 2.44 H new ATOM 740 N ASN A 46 13.829 -7.269 1.984 1.00 63.12 N ATOM 741 CA ASN A 46 13.647 -7.292 0.497 1.00 44.11 C ATOM 742 C ASN A 46 12.350 -8.019 0.104 1.00 45.30 C ATOM 743 O ASN A 46 12.005 -8.131 -1.062 1.00 64.41 O ATOM 744 CB ASN A 46 14.909 -7.855 -0.231 1.00 1.33 C ATOM 745 CG ASN A 46 14.857 -7.737 -1.752 1.00 44.51 C ATOM 746 OD1 ASN A 46 15.244 -6.708 -2.312 1.00 75.12 O ATOM 747 ND2 ASN A 46 14.428 -8.781 -2.427 1.00 52.14 N ATOM 0 H ASN A 46 13.640 -6.355 2.395 1.00 63.12 H new ATOM 0 HA ASN A 46 13.539 -6.262 0.156 1.00 44.11 H new ATOM 0 HB2 ASN A 46 15.791 -7.328 0.133 1.00 1.33 H new ATOM 0 HB3 ASN A 46 15.032 -8.904 0.037 1.00 1.33 H new ATOM 0 HD21 ASN A 46 14.408 -8.756 -3.446 1.00 52.14 H new ATOM 0 HD22 ASN A 46 14.115 -9.616 -1.931 1.00 52.14 H new ATOM 754 N ARG A 47 11.604 -8.455 1.106 1.00 11.50 N ATOM 755 CA ARG A 47 10.367 -9.161 0.881 1.00 1.20 C ATOM 756 C ARG A 47 9.277 -8.270 0.413 1.00 20.54 C ATOM 757 O ARG A 47 9.177 -7.111 0.831 1.00 34.21 O ATOM 758 CB ARG A 47 9.916 -9.925 2.101 1.00 62.13 C ATOM 759 CG ARG A 47 10.738 -11.125 2.426 1.00 72.51 C ATOM 760 CD ARG A 47 10.074 -11.929 3.513 1.00 34.44 C ATOM 761 NE ARG A 47 8.811 -12.516 3.048 1.00 60.01 N ATOM 762 CZ ARG A 47 7.946 -13.196 3.807 1.00 41.11 C ATOM 763 NH1 ARG A 47 8.195 -13.406 5.088 1.00 4.30 N ATOM 764 NH2 ARG A 47 6.836 -13.670 3.272 1.00 61.55 N ATOM 0 H ARG A 47 11.842 -8.327 2.090 1.00 11.50 H new ATOM 0 HA ARG A 47 10.582 -9.875 0.086 1.00 1.20 H new ATOM 0 HB2 ARG A 47 9.926 -9.252 2.958 1.00 62.13 H new ATOM 0 HB3 ARG A 47 8.882 -10.239 1.954 1.00 62.13 H new ATOM 0 HG2 ARG A 47 10.866 -11.740 1.535 1.00 72.51 H new ATOM 0 HG3 ARG A 47 11.733 -10.818 2.747 1.00 72.51 H new ATOM 0 HD2 ARG A 47 10.746 -12.721 3.844 1.00 34.44 H new ATOM 0 HD3 ARG A 47 9.885 -11.291 4.376 1.00 34.44 H new ATOM 0 HE ARG A 47 8.574 -12.395 2.063 1.00 60.01 H new ATOM 0 HH11 ARG A 47 9.054 -13.048 5.506 1.00 4.30 H new ATOM 0 HH12 ARG A 47 7.528 -13.926 5.659 1.00 4.30 H new ATOM 0 HH21 ARG A 47 6.641 -13.517 2.283 1.00 61.55 H new ATOM 0 HH22 ARG A 47 6.174 -14.189 3.848 1.00 61.55 H new ATOM 778 N GLN A 48 8.475 -8.812 -0.455 1.00 15.44 N ATOM 779 CA GLN A 48 7.370 -8.128 -1.007 1.00 44.33 C ATOM 780 C GLN A 48 6.142 -8.494 -0.209 1.00 24.31 C ATOM 781 O GLN A 48 5.781 -9.668 -0.113 1.00 62.31 O ATOM 782 CB GLN A 48 7.205 -8.546 -2.467 1.00 62.11 C ATOM 783 CG GLN A 48 6.222 -7.709 -3.229 1.00 45.41 C ATOM 784 CD GLN A 48 6.010 -8.186 -4.650 1.00 61.24 C ATOM 785 OE1 GLN A 48 6.706 -7.757 -5.573 1.00 63.44 O ATOM 786 NE2 GLN A 48 5.062 -9.068 -4.839 1.00 13.24 N ATOM 0 H GLN A 48 8.584 -9.766 -0.800 1.00 15.44 H new ATOM 0 HA GLN A 48 7.520 -7.049 -0.968 1.00 44.33 H new ATOM 0 HB2 GLN A 48 8.174 -8.492 -2.962 1.00 62.11 H new ATOM 0 HB3 GLN A 48 6.886 -9.588 -2.503 1.00 62.11 H new ATOM 0 HG2 GLN A 48 5.267 -7.714 -2.704 1.00 45.41 H new ATOM 0 HG3 GLN A 48 6.571 -6.676 -3.247 1.00 45.41 H new ATOM 0 HE21 GLN A 48 4.508 -9.398 -4.049 1.00 13.24 H new ATOM 0 HE22 GLN A 48 4.877 -9.425 -5.776 1.00 13.24 H new ATOM 795 N VAL A 49 5.526 -7.520 0.372 1.00 14.00 N ATOM 796 CA VAL A 49 4.350 -7.736 1.166 1.00 72.31 C ATOM 797 C VAL A 49 3.254 -6.813 0.707 1.00 20.51 C ATOM 798 O VAL A 49 3.518 -5.777 0.080 1.00 24.51 O ATOM 799 CB VAL A 49 4.609 -7.523 2.701 1.00 73.43 C ATOM 800 CG1 VAL A 49 5.623 -8.530 3.237 1.00 53.33 C ATOM 801 CG2 VAL A 49 5.075 -6.095 2.995 1.00 55.21 C ATOM 0 H VAL A 49 5.820 -6.545 0.313 1.00 14.00 H new ATOM 0 HA VAL A 49 4.054 -8.776 1.029 1.00 72.31 H new ATOM 0 HB VAL A 49 3.660 -7.685 3.213 1.00 73.43 H new ATOM 0 HG11 VAL A 49 5.780 -8.356 4.301 1.00 53.33 H new ATOM 0 HG12 VAL A 49 5.246 -9.541 3.086 1.00 53.33 H new ATOM 0 HG13 VAL A 49 6.568 -8.412 2.707 1.00 53.33 H new ATOM 0 HG21 VAL A 49 5.245 -5.981 4.066 1.00 55.21 H new ATOM 0 HG22 VAL A 49 6.002 -5.897 2.457 1.00 55.21 H new ATOM 0 HG23 VAL A 49 4.310 -5.389 2.672 1.00 55.21 H new ATOM 811 N CYS A 50 2.049 -7.180 0.982 1.00 54.23 N ATOM 812 CA CYS A 50 0.941 -6.350 0.662 1.00 34.20 C ATOM 813 C CYS A 50 0.639 -5.522 1.875 1.00 74.50 C ATOM 814 O CYS A 50 0.755 -6.001 2.991 1.00 61.25 O ATOM 815 CB CYS A 50 -0.270 -7.184 0.268 1.00 12.54 C ATOM 816 SG CYS A 50 0.076 -8.370 -1.093 1.00 51.41 S ATOM 0 H CYS A 50 1.806 -8.062 1.434 1.00 54.23 H new ATOM 0 HA CYS A 50 1.180 -5.713 -0.190 1.00 34.20 H new ATOM 0 HB2 CYS A 50 -0.622 -7.735 1.140 1.00 12.54 H new ATOM 0 HB3 CYS A 50 -1.078 -6.518 -0.036 1.00 12.54 H new ATOM 821 N ILE A 51 0.293 -4.301 1.680 1.00 31.45 N ATOM 822 CA ILE A 51 0.032 -3.437 2.778 1.00 3.44 C ATOM 823 C ILE A 51 -1.426 -3.067 2.844 1.00 5.52 C ATOM 824 O ILE A 51 -2.097 -2.892 1.814 1.00 40.12 O ATOM 825 CB ILE A 51 0.923 -2.164 2.770 1.00 70.21 C ATOM 826 CG1 ILE A 51 2.387 -2.561 2.772 1.00 44.12 C ATOM 827 CG2 ILE A 51 0.626 -1.268 3.957 1.00 20.54 C ATOM 828 CD1 ILE A 51 3.336 -1.395 2.957 1.00 5.22 C ATOM 0 H ILE A 51 0.183 -3.872 0.761 1.00 31.45 H new ATOM 0 HA ILE A 51 0.291 -3.997 3.677 1.00 3.44 H new ATOM 0 HB ILE A 51 0.698 -1.601 1.864 1.00 70.21 H new ATOM 0 HG12 ILE A 51 2.556 -3.285 3.569 1.00 44.12 H new ATOM 0 HG13 ILE A 51 2.620 -3.061 1.832 1.00 44.12 H new ATOM 0 HG21 ILE A 51 1.268 -0.388 3.918 1.00 20.54 H new ATOM 0 HG22 ILE A 51 -0.418 -0.957 3.926 1.00 20.54 H new ATOM 0 HG23 ILE A 51 0.815 -1.814 4.881 1.00 20.54 H new ATOM 0 HD11 ILE A 51 4.364 -1.757 2.948 1.00 5.22 H new ATOM 0 HD12 ILE A 51 3.196 -0.680 2.146 1.00 5.22 H new ATOM 0 HD13 ILE A 51 3.132 -0.907 3.910 1.00 5.22 H new ATOM 840 N ASP A 52 -1.905 -3.018 4.045 1.00 13.00 N ATOM 841 CA ASP A 52 -3.240 -2.618 4.356 1.00 64.03 C ATOM 842 C ASP A 52 -3.432 -1.129 4.108 1.00 2.45 C ATOM 843 O ASP A 52 -2.717 -0.293 4.673 1.00 62.23 O ATOM 844 CB ASP A 52 -3.492 -2.956 5.790 1.00 13.35 C ATOM 845 CG ASP A 52 -4.798 -2.447 6.314 1.00 14.10 C ATOM 846 OD1 ASP A 52 -5.816 -3.155 6.215 1.00 24.41 O ATOM 847 OD2 ASP A 52 -4.819 -1.347 6.877 1.00 62.33 O ATOM 0 H ASP A 52 -1.356 -3.265 4.868 1.00 13.00 H new ATOM 0 HA ASP A 52 -3.949 -3.141 3.715 1.00 64.03 H new ATOM 0 HB2 ASP A 52 -3.462 -4.039 5.908 1.00 13.35 H new ATOM 0 HB3 ASP A 52 -2.684 -2.547 6.397 1.00 13.35 H new ATOM 852 N PRO A 53 -4.405 -0.777 3.263 1.00 32.35 N ATOM 853 CA PRO A 53 -4.654 0.603 2.872 1.00 74.25 C ATOM 854 C PRO A 53 -5.345 1.455 3.936 1.00 4.15 C ATOM 855 O PRO A 53 -5.740 2.585 3.655 1.00 0.32 O ATOM 856 CB PRO A 53 -5.545 0.467 1.645 1.00 3.33 C ATOM 857 CG PRO A 53 -6.274 -0.807 1.852 1.00 40.12 C ATOM 858 CD PRO A 53 -5.335 -1.713 2.594 1.00 52.10 C ATOM 0 HA PRO A 53 -3.712 1.124 2.699 1.00 74.25 H new ATOM 0 HB2 PRO A 53 -6.233 1.308 1.559 1.00 3.33 H new ATOM 0 HB3 PRO A 53 -4.956 0.442 0.728 1.00 3.33 H new ATOM 0 HG2 PRO A 53 -7.189 -0.644 2.422 1.00 40.12 H new ATOM 0 HG3 PRO A 53 -6.567 -1.247 0.899 1.00 40.12 H new ATOM 0 HD2 PRO A 53 -5.865 -2.336 3.315 1.00 52.10 H new ATOM 0 HD3 PRO A 53 -4.809 -2.386 1.917 1.00 52.10 H new ATOM 866 N LYS A 54 -5.509 0.940 5.134 1.00 73.15 N ATOM 867 CA LYS A 54 -6.108 1.735 6.177 1.00 22.33 C ATOM 868 C LYS A 54 -5.148 1.936 7.344 1.00 75.34 C ATOM 869 O LYS A 54 -5.523 2.474 8.390 1.00 24.11 O ATOM 870 CB LYS A 54 -7.534 1.219 6.575 1.00 33.23 C ATOM 871 CG LYS A 54 -7.659 -0.143 7.126 1.00 13.41 C ATOM 872 CD LYS A 54 -7.275 -0.170 8.577 1.00 25.41 C ATOM 873 CE LYS A 54 -7.660 -1.461 9.157 1.00 4.33 C ATOM 874 NZ LYS A 54 -6.905 -2.596 8.596 1.00 71.23 N ATOM 0 H LYS A 54 -5.242 -0.006 5.405 1.00 73.15 H new ATOM 0 HA LYS A 54 -6.289 2.735 5.782 1.00 22.33 H new ATOM 0 HB2 LYS A 54 -7.945 1.913 7.308 1.00 33.23 H new ATOM 0 HB3 LYS A 54 -8.167 1.278 5.690 1.00 33.23 H new ATOM 0 HG2 LYS A 54 -8.684 -0.494 7.010 1.00 13.41 H new ATOM 0 HG3 LYS A 54 -7.023 -0.827 6.564 1.00 13.41 H new ATOM 0 HD2 LYS A 54 -6.201 -0.016 8.684 1.00 25.41 H new ATOM 0 HD3 LYS A 54 -7.768 0.643 9.111 1.00 25.41 H new ATOM 0 HE2 LYS A 54 -7.506 -1.428 10.236 1.00 4.33 H new ATOM 0 HE3 LYS A 54 -8.725 -1.624 8.991 1.00 4.33 H new ATOM 0 HZ1 LYS A 54 -7.332 -3.489 8.915 1.00 71.23 H new ATOM 0 HZ2 LYS A 54 -6.932 -2.551 7.557 1.00 71.23 H new ATOM 0 HZ3 LYS A 54 -5.918 -2.550 8.919 1.00 71.23 H new ATOM 888 N LEU A 55 -3.885 1.507 7.141 1.00 61.42 N ATOM 889 CA LEU A 55 -2.827 1.747 8.103 1.00 22.01 C ATOM 890 C LEU A 55 -2.694 3.205 8.413 1.00 5.55 C ATOM 891 O LEU A 55 -2.725 4.055 7.516 1.00 52.33 O ATOM 892 CB LEU A 55 -1.479 1.202 7.639 1.00 5.10 C ATOM 893 CG LEU A 55 -1.199 -0.284 7.854 1.00 14.32 C ATOM 894 CD1 LEU A 55 0.114 -0.647 7.215 1.00 14.11 C ATOM 895 CD2 LEU A 55 -1.101 -0.580 9.333 1.00 54.25 C ATOM 0 H LEU A 55 -3.588 0.992 6.312 1.00 61.42 H new ATOM 0 HA LEU A 55 -3.115 1.210 9.007 1.00 22.01 H new ATOM 0 HB2 LEU A 55 -1.383 1.410 6.573 1.00 5.10 H new ATOM 0 HB3 LEU A 55 -0.697 1.767 8.146 1.00 5.10 H new ATOM 0 HG LEU A 55 -2.010 -0.860 7.410 1.00 14.32 H new ATOM 0 HD11 LEU A 55 0.313 -1.708 7.369 1.00 14.11 H new ATOM 0 HD12 LEU A 55 0.069 -0.438 6.146 1.00 14.11 H new ATOM 0 HD13 LEU A 55 0.913 -0.059 7.666 1.00 14.11 H new ATOM 0 HD21 LEU A 55 -0.901 -1.642 9.479 1.00 54.25 H new ATOM 0 HD22 LEU A 55 -0.291 0.005 9.768 1.00 54.25 H new ATOM 0 HD23 LEU A 55 -2.040 -0.317 9.820 1.00 54.25 H new ATOM 907 N LYS A 56 -2.521 3.480 9.671 1.00 13.11 N ATOM 908 CA LYS A 56 -2.412 4.828 10.179 1.00 13.24 C ATOM 909 C LYS A 56 -1.332 5.678 9.509 1.00 33.13 C ATOM 910 O LYS A 56 -1.531 6.872 9.291 1.00 61.35 O ATOM 911 CB LYS A 56 -2.371 4.855 11.726 1.00 64.00 C ATOM 912 CG LYS A 56 -1.411 3.873 12.423 1.00 52.13 C ATOM 913 CD LYS A 56 0.066 4.179 12.211 1.00 62.54 C ATOM 914 CE LYS A 56 0.940 3.213 13.008 1.00 23.24 C ATOM 915 NZ LYS A 56 2.393 3.467 12.817 1.00 61.21 N ATOM 0 H LYS A 56 -2.449 2.763 10.393 1.00 13.11 H new ATOM 0 HA LYS A 56 -3.333 5.332 9.885 1.00 13.24 H new ATOM 0 HB2 LYS A 56 -2.107 5.865 12.039 1.00 64.00 H new ATOM 0 HB3 LYS A 56 -3.378 4.661 12.094 1.00 64.00 H new ATOM 0 HG2 LYS A 56 -1.620 3.877 13.493 1.00 52.13 H new ATOM 0 HG3 LYS A 56 -1.616 2.865 12.062 1.00 52.13 H new ATOM 0 HD2 LYS A 56 0.309 4.106 11.151 1.00 62.54 H new ATOM 0 HD3 LYS A 56 0.277 5.204 12.516 1.00 62.54 H new ATOM 0 HE2 LYS A 56 0.696 3.297 14.067 1.00 23.24 H new ATOM 0 HE3 LYS A 56 0.711 2.190 12.709 1.00 23.24 H new ATOM 0 HZ1 LYS A 56 2.941 2.785 13.379 1.00 61.21 H new ATOM 0 HZ2 LYS A 56 2.635 3.361 11.811 1.00 61.21 H new ATOM 0 HZ3 LYS A 56 2.620 4.433 13.127 1.00 61.21 H new ATOM 929 N TRP A 57 -0.213 5.068 9.150 1.00 3.11 N ATOM 930 CA TRP A 57 0.830 5.818 8.483 1.00 64.01 C ATOM 931 C TRP A 57 0.581 5.862 6.980 1.00 54.40 C ATOM 932 O TRP A 57 0.993 6.794 6.295 1.00 12.35 O ATOM 933 CB TRP A 57 2.226 5.290 8.807 1.00 22.34 C ATOM 934 CG TRP A 57 2.551 3.926 8.290 1.00 70.05 C ATOM 935 CD1 TRP A 57 2.393 2.741 8.928 1.00 50.14 C ATOM 936 CD2 TRP A 57 3.125 3.628 7.022 1.00 2.33 C ATOM 937 NE1 TRP A 57 2.847 1.725 8.134 1.00 4.22 N ATOM 938 CE2 TRP A 57 3.302 2.247 6.956 1.00 23.02 C ATOM 939 CE3 TRP A 57 3.507 4.410 5.940 1.00 32.35 C ATOM 940 CZ2 TRP A 57 3.853 1.622 5.840 1.00 44.03 C ATOM 941 CZ3 TRP A 57 4.050 3.803 4.839 1.00 22.41 C ATOM 942 CH2 TRP A 57 4.223 2.425 4.795 1.00 31.15 C ATOM 0 H TRP A 57 -0.010 4.081 9.306 1.00 3.11 H new ATOM 0 HA TRP A 57 0.793 6.838 8.866 1.00 64.01 H new ATOM 0 HB2 TRP A 57 2.959 5.991 8.408 1.00 22.34 H new ATOM 0 HB3 TRP A 57 2.347 5.284 9.890 1.00 22.34 H new ATOM 0 HD1 TRP A 57 1.972 2.618 9.915 1.00 50.14 H new ATOM 0 HE1 TRP A 57 2.846 0.735 8.381 1.00 4.22 H new ATOM 0 HE3 TRP A 57 3.378 5.482 5.966 1.00 32.35 H new ATOM 0 HZ2 TRP A 57 3.983 0.551 5.801 1.00 44.03 H new ATOM 0 HZ3 TRP A 57 4.348 4.404 3.993 1.00 22.41 H new ATOM 0 HH2 TRP A 57 4.660 1.977 3.915 1.00 31.15 H new ATOM 953 N ILE A 58 -0.106 4.844 6.476 1.00 43.43 N ATOM 954 CA ILE A 58 -0.481 4.784 5.079 1.00 33.41 C ATOM 955 C ILE A 58 -1.464 5.899 4.769 1.00 55.52 C ATOM 956 O ILE A 58 -1.449 6.477 3.682 1.00 31.53 O ATOM 957 CB ILE A 58 -1.073 3.392 4.694 1.00 55.44 C ATOM 958 CG1 ILE A 58 0.025 2.310 4.653 1.00 65.11 C ATOM 959 CG2 ILE A 58 -1.801 3.453 3.377 1.00 42.40 C ATOM 960 CD1 ILE A 58 1.060 2.537 3.561 1.00 22.32 C ATOM 0 H ILE A 58 -0.415 4.043 7.026 1.00 43.43 H new ATOM 0 HA ILE A 58 0.418 4.920 4.477 1.00 33.41 H new ATOM 0 HB ILE A 58 -1.791 3.119 5.467 1.00 55.44 H new ATOM 0 HG12 ILE A 58 0.529 2.278 5.619 1.00 65.11 H new ATOM 0 HG13 ILE A 58 -0.441 1.336 4.504 1.00 65.11 H new ATOM 0 HG21 ILE A 58 -2.202 2.468 3.137 1.00 42.40 H new ATOM 0 HG22 ILE A 58 -2.619 4.170 3.446 1.00 42.40 H new ATOM 0 HG23 ILE A 58 -1.110 3.765 2.594 1.00 42.40 H new ATOM 0 HD11 ILE A 58 1.801 1.739 3.591 1.00 22.32 H new ATOM 0 HD12 ILE A 58 0.568 2.539 2.588 1.00 22.32 H new ATOM 0 HD13 ILE A 58 1.553 3.496 3.721 1.00 22.32 H new ATOM 972 N GLN A 59 -2.297 6.210 5.736 1.00 14.51 N ATOM 973 CA GLN A 59 -3.209 7.313 5.608 1.00 43.20 C ATOM 974 C GLN A 59 -2.446 8.606 5.397 1.00 50.31 C ATOM 975 O GLN A 59 -2.795 9.380 4.520 1.00 43.13 O ATOM 976 CB GLN A 59 -4.145 7.395 6.808 1.00 53.51 C ATOM 977 CG GLN A 59 -5.085 6.202 6.916 1.00 24.12 C ATOM 978 CD GLN A 59 -5.987 6.078 5.701 1.00 31.55 C ATOM 979 OE1 GLN A 59 -7.078 6.635 5.672 1.00 60.43 O ATOM 980 NE2 GLN A 59 -5.541 5.356 4.697 1.00 63.24 N ATOM 0 H GLN A 59 -2.358 5.709 6.622 1.00 14.51 H new ATOM 0 HA GLN A 59 -3.833 7.147 4.730 1.00 43.20 H new ATOM 0 HB2 GLN A 59 -3.552 7.466 7.720 1.00 53.51 H new ATOM 0 HB3 GLN A 59 -4.735 8.309 6.739 1.00 53.51 H new ATOM 0 HG2 GLN A 59 -4.501 5.289 7.029 1.00 24.12 H new ATOM 0 HG3 GLN A 59 -5.696 6.302 7.813 1.00 24.12 H new ATOM 0 HE21 GLN A 59 -4.627 4.907 4.758 1.00 63.24 H new ATOM 0 HE22 GLN A 59 -6.109 5.245 3.857 1.00 63.24 H new ATOM 989 N GLU A 60 -1.367 8.795 6.167 1.00 13.21 N ATOM 990 CA GLU A 60 -0.497 9.968 6.020 1.00 42.31 C ATOM 991 C GLU A 60 0.131 9.964 4.634 1.00 4.02 C ATOM 992 O GLU A 60 0.185 10.994 3.961 1.00 32.43 O ATOM 993 CB GLU A 60 0.619 9.947 7.052 1.00 20.33 C ATOM 994 CG GLU A 60 0.158 9.917 8.485 1.00 63.01 C ATOM 995 CD GLU A 60 1.322 9.885 9.430 1.00 3.11 C ATOM 996 OE1 GLU A 60 1.818 8.795 9.735 1.00 22.24 O ATOM 997 OE2 GLU A 60 1.773 10.964 9.881 1.00 54.42 O ATOM 0 H GLU A 60 -1.075 8.148 6.900 1.00 13.21 H new ATOM 0 HA GLU A 60 -1.104 10.862 6.164 1.00 42.31 H new ATOM 0 HB2 GLU A 60 1.246 9.075 6.869 1.00 20.33 H new ATOM 0 HB3 GLU A 60 1.246 10.827 6.906 1.00 20.33 H new ATOM 0 HG2 GLU A 60 -0.456 10.794 8.690 1.00 63.01 H new ATOM 0 HG3 GLU A 60 -0.471 9.042 8.649 1.00 63.01 H new ATOM 1004 N TYR A 61 0.613 8.786 4.234 1.00 63.02 N ATOM 1005 CA TYR A 61 1.193 8.557 2.911 1.00 32.35 C ATOM 1006 C TYR A 61 0.253 9.024 1.816 1.00 54.03 C ATOM 1007 O TYR A 61 0.649 9.740 0.900 1.00 64.42 O ATOM 1008 CB TYR A 61 1.483 7.054 2.725 1.00 30.23 C ATOM 1009 CG TYR A 61 1.857 6.668 1.312 1.00 33.12 C ATOM 1010 CD1 TYR A 61 3.051 7.074 0.732 1.00 65.23 C ATOM 1011 CD2 TYR A 61 0.993 5.895 0.559 1.00 22.14 C ATOM 1012 CE1 TYR A 61 3.362 6.716 -0.568 1.00 4.51 C ATOM 1013 CE2 TYR A 61 1.288 5.534 -0.724 1.00 52.32 C ATOM 1014 CZ TYR A 61 2.471 5.946 -1.294 1.00 34.51 C ATOM 1015 OH TYR A 61 2.778 5.577 -2.585 1.00 52.32 O ATOM 0 H TYR A 61 0.611 7.956 4.826 1.00 63.02 H new ATOM 0 HA TYR A 61 2.119 9.128 2.842 1.00 32.35 H new ATOM 0 HB2 TYR A 61 2.293 6.765 3.395 1.00 30.23 H new ATOM 0 HB3 TYR A 61 0.603 6.485 3.025 1.00 30.23 H new ATOM 0 HD1 TYR A 61 3.744 7.675 1.301 1.00 65.23 H new ATOM 0 HD2 TYR A 61 0.061 5.569 0.997 1.00 22.14 H new ATOM 0 HE1 TYR A 61 4.293 7.035 -1.012 1.00 4.51 H new ATOM 0 HE2 TYR A 61 0.596 4.928 -1.289 1.00 52.32 H new ATOM 0 HH TYR A 61 2.048 5.038 -2.954 1.00 52.32 H new ATOM 1025 N LEU A 62 -0.972 8.615 1.923 1.00 23.51 N ATOM 1026 CA LEU A 62 -1.968 8.945 0.965 1.00 65.23 C ATOM 1027 C LEU A 62 -2.418 10.375 1.034 1.00 53.33 C ATOM 1028 O LEU A 62 -2.756 10.954 0.017 1.00 74.13 O ATOM 1029 CB LEU A 62 -3.064 7.938 1.018 1.00 34.10 C ATOM 1030 CG LEU A 62 -2.613 6.629 0.410 1.00 43.35 C ATOM 1031 CD1 LEU A 62 -3.375 5.496 0.938 1.00 34.35 C ATOM 1032 CD2 LEU A 62 -2.761 6.679 -1.094 1.00 15.01 C ATOM 0 H LEU A 62 -1.309 8.034 2.691 1.00 23.51 H new ATOM 0 HA LEU A 62 -1.527 8.886 -0.030 1.00 65.23 H new ATOM 0 HB2 LEU A 62 -3.369 7.779 2.052 1.00 34.10 H new ATOM 0 HB3 LEU A 62 -3.936 8.313 0.482 1.00 34.10 H new ATOM 0 HG LEU A 62 -1.565 6.486 0.675 1.00 43.35 H new ATOM 0 HD11 LEU A 62 -3.022 4.574 0.477 1.00 34.35 H new ATOM 0 HD12 LEU A 62 -3.239 5.437 2.018 1.00 34.35 H new ATOM 0 HD13 LEU A 62 -4.433 5.632 0.713 1.00 34.35 H new ATOM 0 HD21 LEU A 62 -2.434 5.732 -1.523 1.00 15.01 H new ATOM 0 HD22 LEU A 62 -3.806 6.852 -1.351 1.00 15.01 H new ATOM 0 HD23 LEU A 62 -2.150 7.489 -1.493 1.00 15.01 H new ATOM 1044 N GLU A 63 -2.408 10.958 2.220 1.00 35.15 N ATOM 1045 CA GLU A 63 -2.673 12.402 2.337 1.00 44.52 C ATOM 1046 C GLU A 63 -1.616 13.150 1.536 1.00 60.22 C ATOM 1047 O GLU A 63 -1.924 14.014 0.712 1.00 44.41 O ATOM 1048 CB GLU A 63 -2.621 12.873 3.791 1.00 4.22 C ATOM 1049 CG GLU A 63 -3.648 12.236 4.691 1.00 1.42 C ATOM 1050 CD GLU A 63 -3.563 12.747 6.093 1.00 10.31 C ATOM 1051 OE1 GLU A 63 -2.740 12.256 6.867 1.00 3.43 O ATOM 1052 OE2 GLU A 63 -4.338 13.661 6.444 1.00 2.12 O ATOM 0 H GLU A 63 -2.225 10.478 3.102 1.00 35.15 H new ATOM 0 HA GLU A 63 -3.675 12.602 1.956 1.00 44.52 H new ATOM 0 HB2 GLU A 63 -1.628 12.667 4.191 1.00 4.22 H new ATOM 0 HB3 GLU A 63 -2.756 13.954 3.815 1.00 4.22 H new ATOM 0 HG2 GLU A 63 -4.645 12.429 4.295 1.00 1.42 H new ATOM 0 HG3 GLU A 63 -3.509 11.155 4.691 1.00 1.42 H new ATOM 1059 N LYS A 64 -0.384 12.752 1.773 1.00 73.21 N ATOM 1060 CA LYS A 64 0.793 13.275 1.115 1.00 32.12 C ATOM 1061 C LYS A 64 0.684 13.145 -0.402 1.00 62.13 C ATOM 1062 O LYS A 64 0.568 14.134 -1.113 1.00 2.21 O ATOM 1063 CB LYS A 64 1.992 12.461 1.588 1.00 75.24 C ATOM 1064 CG LYS A 64 3.281 12.744 0.881 1.00 64.34 C ATOM 1065 CD LYS A 64 3.843 14.101 1.245 1.00 53.21 C ATOM 1066 CE LYS A 64 5.152 14.345 0.533 1.00 13.22 C ATOM 1067 NZ LYS A 64 6.169 13.324 0.885 1.00 24.20 N ATOM 0 H LYS A 64 -0.167 12.027 2.456 1.00 73.21 H new ATOM 0 HA LYS A 64 0.899 14.331 1.361 1.00 32.12 H new ATOM 0 HB2 LYS A 64 2.135 12.642 2.653 1.00 75.24 H new ATOM 0 HB3 LYS A 64 1.759 11.402 1.473 1.00 75.24 H new ATOM 0 HG2 LYS A 64 4.008 11.972 1.131 1.00 64.34 H new ATOM 0 HG3 LYS A 64 3.122 12.695 -0.196 1.00 64.34 H new ATOM 0 HD2 LYS A 64 3.128 14.880 0.979 1.00 53.21 H new ATOM 0 HD3 LYS A 64 3.993 14.161 2.323 1.00 53.21 H new ATOM 0 HE2 LYS A 64 4.987 14.337 -0.544 1.00 13.22 H new ATOM 0 HE3 LYS A 64 5.527 15.336 0.791 1.00 13.22 H new ATOM 0 HZ1 LYS A 64 7.115 13.676 0.636 1.00 24.20 H new ATOM 0 HZ2 LYS A 64 6.129 13.131 1.906 1.00 24.20 H new ATOM 0 HZ3 LYS A 64 5.977 12.447 0.360 1.00 24.20 H new ATOM 1081 N ALA A 65 0.716 11.909 -0.869 1.00 71.42 N ATOM 1082 CA ALA A 65 0.676 11.589 -2.297 1.00 74.34 C ATOM 1083 C ALA A 65 -0.537 12.166 -3.031 1.00 42.25 C ATOM 1084 O ALA A 65 -0.424 12.530 -4.197 1.00 30.21 O ATOM 1085 CB ALA A 65 0.749 10.096 -2.513 1.00 12.52 C ATOM 0 H ALA A 65 0.771 11.087 -0.267 1.00 71.42 H new ATOM 0 HA ALA A 65 1.553 12.070 -2.729 1.00 74.34 H new ATOM 0 HB1 ALA A 65 0.718 9.881 -3.581 1.00 12.52 H new ATOM 0 HB2 ALA A 65 1.679 9.713 -2.093 1.00 12.52 H new ATOM 0 HB3 ALA A 65 -0.097 9.615 -2.021 1.00 12.52 H new ATOM 1091 N LEU A 66 -1.685 12.244 -2.373 1.00 25.23 N ATOM 1092 CA LEU A 66 -2.863 12.801 -3.030 1.00 20.22 C ATOM 1093 C LEU A 66 -2.832 14.325 -3.055 1.00 12.53 C ATOM 1094 O LEU A 66 -3.379 14.949 -3.976 1.00 72.33 O ATOM 1095 CB LEU A 66 -4.176 12.282 -2.431 1.00 1.02 C ATOM 1096 CG LEU A 66 -4.435 10.771 -2.569 1.00 71.34 C ATOM 1097 CD1 LEU A 66 -5.755 10.393 -1.919 1.00 54.31 C ATOM 1098 CD2 LEU A 66 -4.418 10.345 -4.035 1.00 22.12 C ATOM 0 H LEU A 66 -1.827 11.938 -1.410 1.00 25.23 H new ATOM 0 HA LEU A 66 -2.827 12.451 -4.062 1.00 20.22 H new ATOM 0 HB2 LEU A 66 -4.194 12.537 -1.371 1.00 1.02 H new ATOM 0 HB3 LEU A 66 -5.002 12.816 -2.901 1.00 1.02 H new ATOM 0 HG LEU A 66 -3.633 10.243 -2.054 1.00 71.34 H new ATOM 0 HD11 LEU A 66 -5.920 9.321 -2.027 1.00 54.31 H new ATOM 0 HD12 LEU A 66 -5.726 10.651 -0.860 1.00 54.31 H new ATOM 0 HD13 LEU A 66 -6.567 10.936 -2.403 1.00 54.31 H new ATOM 0 HD21 LEU A 66 -4.603 9.273 -4.105 1.00 22.12 H new ATOM 0 HD22 LEU A 66 -5.194 10.884 -4.579 1.00 22.12 H new ATOM 0 HD23 LEU A 66 -3.445 10.574 -4.469 1.00 22.12 H new ATOM 1110 N ASN A 67 -2.205 14.927 -2.058 1.00 63.00 N ATOM 1111 CA ASN A 67 -2.058 16.388 -2.017 1.00 10.35 C ATOM 1112 C ASN A 67 -0.965 16.831 -3.001 1.00 12.14 C ATOM 1113 O ASN A 67 -1.013 17.929 -3.559 1.00 1.32 O ATOM 1114 CB ASN A 67 -1.706 16.845 -0.588 1.00 32.35 C ATOM 1115 CG ASN A 67 -1.566 18.350 -0.442 1.00 14.24 C ATOM 1116 OD1 ASN A 67 -2.215 19.124 -1.145 1.00 51.33 O ATOM 1117 ND2 ASN A 67 -0.726 18.771 0.471 1.00 22.22 N ATOM 0 H ASN A 67 -1.789 14.437 -1.266 1.00 63.00 H new ATOM 0 HA ASN A 67 -3.002 16.848 -2.308 1.00 10.35 H new ATOM 0 HB2 ASN A 67 -2.478 16.493 0.096 1.00 32.35 H new ATOM 0 HB3 ASN A 67 -0.772 16.372 -0.285 1.00 32.35 H new ATOM 0 HD21 ASN A 67 -0.592 19.771 0.618 1.00 22.22 H new ATOM 0 HD22 ASN A 67 -0.206 18.098 1.034 1.00 22.22 H new ATOM 1124 N LYS A 68 -0.004 15.956 -3.199 1.00 51.21 N ATOM 1125 CA LYS A 68 1.122 16.173 -4.087 1.00 13.25 C ATOM 1126 C LYS A 68 0.662 16.288 -5.551 1.00 74.51 C ATOM 1127 O LYS A 68 0.359 15.257 -6.175 1.00 38.67 O ATOM 1128 CB LYS A 68 2.121 15.029 -3.912 1.00 31.32 C ATOM 1129 CG LYS A 68 3.401 15.171 -4.708 1.00 1.05 C ATOM 1130 CD LYS A 68 4.357 14.059 -4.352 1.00 41.22 C ATOM 1131 CE LYS A 68 5.635 14.116 -5.167 1.00 11.12 C ATOM 1132 NZ LYS A 68 5.388 13.918 -6.612 1.00 62.10 N ATOM 1133 OXT LYS A 68 0.627 17.409 -6.092 1.00 38.67 O ATOM 0 H LYS A 68 0.018 15.048 -2.735 1.00 51.21 H new ATOM 0 HA LYS A 68 1.605 17.116 -3.830 1.00 13.25 H new ATOM 0 HB2 LYS A 68 2.375 14.947 -2.855 1.00 31.32 H new ATOM 0 HB3 LYS A 68 1.635 14.096 -4.197 1.00 31.32 H new ATOM 0 HG2 LYS A 68 3.180 15.144 -5.775 1.00 1.05 H new ATOM 0 HG3 LYS A 68 3.862 16.137 -4.502 1.00 1.05 H new ATOM 0 HD2 LYS A 68 4.602 14.119 -3.292 1.00 41.22 H new ATOM 0 HD3 LYS A 68 3.869 13.098 -4.513 1.00 41.22 H new ATOM 0 HE2 LYS A 68 6.119 15.080 -5.012 1.00 11.12 H new ATOM 0 HE3 LYS A 68 6.325 13.351 -4.810 1.00 11.12 H new ATOM 0 HZ1 LYS A 68 6.293 13.762 -7.101 1.00 62.10 H new ATOM 0 HZ2 LYS A 68 4.773 13.090 -6.749 1.00 62.10 H new ATOM 0 HZ3 LYS A 68 4.924 14.762 -7.004 1.00 62.10 H new TER 1147 LYS A 68