USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 THR OG1 : rot -51:sc= -2.51! USER MOD Set 1.2: A 70 MET CE :methyl -133:sc= -0.0399 (180deg=-0.825) USER MOD Set 2.1: A 11 TYR OH : rot 15:sc= 0.971 USER MOD Set 2.2: A 15 HIS : no HD1:sc= -0.235 K(o=2,f=1.4) USER MOD Set 2.3: A 25 SER OG : rot -135:sc= 1.22 USER MOD Set 3.1: A 1 MET CE :methyl -124:sc= -0.897 (180deg=-2.08) USER MOD Set 3.2: A 9 CYS SG : rot -6:sc= 0.343 USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.969 (180deg=-0.267) USER MOD Single : A 3 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.37) USER MOD Single : A 10 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.34) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.491 K(o=-0.49,f=-1.2) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 77:sc= 1.17 USER MOD Single : A 39 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.02) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 44 GLN : amide:sc= -1.45 K(o=-1.5,f=-4.1!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.177 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.39) USER MOD Single : A 59 SER OG : rot 85:sc= 0.536 USER MOD Single : A 60 GLN : amide:sc= 0.0228 X(o=0.023,f=-0.0096) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0651) USER MOD Single : A 66 SER OG : rot 74:sc= 0.211 USER MOD Single : A 67 THR OG1 : rot -50:sc= 1.03 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 78 ASN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 84 GLN : amide:sc= -2.15! C(o=-2.2!,f=-5.4!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -44:sc= 0.422 USER MOD Single : A 92 LYS NZ :NH3+ 152:sc= -0.109 (180deg=-0.741) USER MOD Single : A 93 LYS NZ :NH3+ -125:sc= -0.379 (180deg=-1.56) USER MOD Single : A 94 CYS SG : rot -27:sc= -3.34! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.702 -1.419 -0.531 1.00 0.00 N ATOM 2 CA MET A 1 2.973 -0.666 -1.546 1.00 0.00 C ATOM 3 C MET A 1 2.231 -1.606 -2.491 1.00 0.00 C ATOM 4 O MET A 1 2.231 -2.822 -2.299 1.00 0.00 O ATOM 5 CB MET A 1 3.933 0.221 -2.341 1.00 0.00 C ATOM 6 CG MET A 1 5.175 -0.509 -2.826 1.00 0.00 C ATOM 7 SD MET A 1 6.551 -0.385 -1.668 1.00 0.00 S ATOM 8 CE MET A 1 6.848 1.381 -1.683 1.00 0.00 C ATOM 0 H1 MET A 1 3.346 -1.165 0.412 1.00 0.00 H new ATOM 0 H2 MET A 1 3.566 -2.438 -0.690 1.00 0.00 H new ATOM 0 H3 MET A 1 4.715 -1.192 -0.591 1.00 0.00 H new ATOM 0 HA MET A 1 2.242 -0.036 -1.040 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.405 0.634 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.236 1.063 -1.719 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.934 -1.560 -2.987 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.479 -0.100 -3.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.887 1.573 -1.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.190 1.854 -2.412 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.648 1.792 -0.693 1.00 0.00 H new ATOM 18 N ASP A 2 1.598 -1.034 -3.510 1.00 0.00 N ATOM 19 CA ASP A 2 0.852 -1.821 -4.485 1.00 0.00 C ATOM 20 C ASP A 2 1.794 -2.472 -5.493 1.00 0.00 C ATOM 21 O ASP A 2 2.848 -1.926 -5.815 1.00 0.00 O ATOM 22 CB ASP A 2 -0.164 -0.940 -5.213 1.00 0.00 C ATOM 23 CG ASP A 2 -1.310 -1.741 -5.800 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.726 -2.732 -5.165 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.789 -1.377 -6.895 1.00 0.00 O ATOM 0 H ASP A 2 1.587 -0.029 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 2 0.321 -2.608 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.561 -0.199 -4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.339 -0.393 -6.010 1.00 0.00 H new ATOM 30 N ASN A 3 1.406 -3.644 -5.986 1.00 0.00 N ATOM 31 CA ASN A 3 2.216 -4.371 -6.956 1.00 0.00 C ATOM 32 C ASN A 3 2.532 -3.496 -8.165 1.00 0.00 C ATOM 33 O ASN A 3 3.599 -3.615 -8.769 1.00 0.00 O ATOM 34 CB ASN A 3 1.492 -5.641 -7.407 1.00 0.00 C ATOM 35 CG ASN A 3 0.338 -5.346 -8.346 1.00 0.00 C ATOM 36 OD1 ASN A 3 0.517 -5.270 -9.562 1.00 0.00 O ATOM 37 ND2 ASN A 3 -0.853 -5.179 -7.785 1.00 0.00 N ATOM 0 H ASN A 3 0.536 -4.110 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 3 3.154 -4.647 -6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.201 -6.303 -7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.118 -6.173 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.667 -4.979 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.954 -5.251 -6.773 1.00 0.00 H new ATOM 44 N ARG A 4 1.599 -2.615 -8.512 1.00 0.00 N ATOM 45 CA ARG A 4 1.777 -1.720 -9.649 1.00 0.00 C ATOM 46 C ARG A 4 2.827 -0.656 -9.343 1.00 0.00 C ATOM 47 O ARG A 4 3.691 -0.365 -10.170 1.00 0.00 O ATOM 48 CB ARG A 4 0.450 -1.054 -10.014 1.00 0.00 C ATOM 49 CG ARG A 4 0.612 0.239 -10.797 1.00 0.00 C ATOM 50 CD ARG A 4 1.331 0.004 -12.116 1.00 0.00 C ATOM 51 NE ARG A 4 0.501 -0.728 -13.069 1.00 0.00 N ATOM 52 CZ ARG A 4 0.992 -1.421 -14.091 1.00 0.00 C ATOM 53 NH1 ARG A 4 2.302 -1.476 -14.291 1.00 0.00 N ATOM 54 NH2 ARG A 4 0.172 -2.061 -14.915 1.00 0.00 N ATOM 0 H ARG A 4 0.712 -2.502 -8.022 1.00 0.00 H new ATOM 0 HA ARG A 4 2.122 -2.313 -10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.148 -1.752 -10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.107 -0.848 -9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.368 0.675 -10.988 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.171 0.960 -10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.619 0.963 -12.548 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.250 -0.553 -11.934 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.511 -0.706 -12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.935 -0.986 -13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.676 -2.009 -15.076 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.836 -2.021 -14.764 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.550 -2.593 -15.699 1.00 0.00 H new ATOM 68 N VAL A 5 2.744 -0.076 -8.149 1.00 0.00 N ATOM 69 CA VAL A 5 3.686 0.956 -7.733 1.00 0.00 C ATOM 70 C VAL A 5 5.078 0.373 -7.514 1.00 0.00 C ATOM 71 O VAL A 5 6.083 0.991 -7.867 1.00 0.00 O ATOM 72 CB VAL A 5 3.223 1.650 -6.439 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.236 2.698 -6.003 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.848 2.273 -6.632 1.00 0.00 C ATOM 0 H VAL A 5 2.034 -0.304 -7.453 1.00 0.00 H new ATOM 0 HA VAL A 5 3.725 1.691 -8.537 1.00 0.00 H new ATOM 0 HB VAL A 5 3.150 0.900 -5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.892 3.178 -5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.199 2.220 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.344 3.448 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.536 2.759 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.892 3.011 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.130 1.496 -6.893 1.00 0.00 H new ATOM 84 N ARG A 6 5.129 -0.820 -6.930 1.00 0.00 N ATOM 85 CA ARG A 6 6.398 -1.486 -6.663 1.00 0.00 C ATOM 86 C ARG A 6 7.207 -1.649 -7.946 1.00 0.00 C ATOM 87 O ARG A 6 8.435 -1.563 -7.932 1.00 0.00 O ATOM 88 CB ARG A 6 6.155 -2.854 -6.023 1.00 0.00 C ATOM 89 CG ARG A 6 7.267 -3.293 -5.084 1.00 0.00 C ATOM 90 CD ARG A 6 6.719 -4.070 -3.897 1.00 0.00 C ATOM 91 NE ARG A 6 7.661 -5.081 -3.424 1.00 0.00 N ATOM 92 CZ ARG A 6 8.688 -4.813 -2.626 1.00 0.00 C ATOM 93 NH1 ARG A 6 8.905 -3.571 -2.214 1.00 0.00 N ATOM 94 NH2 ARG A 6 9.501 -5.787 -2.238 1.00 0.00 N ATOM 0 H ARG A 6 4.306 -1.345 -6.633 1.00 0.00 H new ATOM 0 HA ARG A 6 6.967 -0.865 -5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.215 -2.826 -5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.041 -3.599 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.981 -3.912 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.811 -2.418 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.491 -3.379 -3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.782 -4.551 -4.179 1.00 0.00 H new ATOM 0 HE ARG A 6 7.522 -6.046 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.282 -2.819 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.695 -3.368 -1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.338 -6.743 -2.553 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.289 -5.579 -1.625 1.00 0.00 H new ATOM 108 N GLU A 7 6.510 -1.885 -9.054 1.00 0.00 N ATOM 109 CA GLU A 7 7.165 -2.062 -10.344 1.00 0.00 C ATOM 110 C GLU A 7 7.909 -0.794 -10.755 1.00 0.00 C ATOM 111 O GLU A 7 9.024 -0.856 -11.271 1.00 0.00 O ATOM 112 CB GLU A 7 6.137 -2.433 -11.416 1.00 0.00 C ATOM 113 CG GLU A 7 6.113 -3.916 -11.748 1.00 0.00 C ATOM 114 CD GLU A 7 5.388 -4.736 -10.699 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.954 -4.934 -9.604 1.00 0.00 O ATOM 116 OE2 GLU A 7 4.253 -5.180 -10.973 1.00 0.00 O ATOM 0 H GLU A 7 5.493 -1.958 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 7 7.888 -2.872 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.146 -2.129 -11.078 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.352 -1.869 -12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.630 -4.061 -12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.136 -4.280 -11.845 1.00 0.00 H new ATOM 123 N ALA A 8 7.282 0.354 -10.522 1.00 0.00 N ATOM 124 CA ALA A 8 7.884 1.637 -10.866 1.00 0.00 C ATOM 125 C ALA A 8 9.061 1.953 -9.950 1.00 0.00 C ATOM 126 O ALA A 8 10.058 2.532 -10.384 1.00 0.00 O ATOM 127 CB ALA A 8 6.843 2.745 -10.793 1.00 0.00 C ATOM 0 H ALA A 8 6.357 0.422 -10.097 1.00 0.00 H new ATOM 0 HA ALA A 8 8.259 1.573 -11.887 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.306 3.697 -11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.035 2.532 -11.493 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.441 2.801 -9.781 1.00 0.00 H new ATOM 133 N CYS A 9 8.939 1.571 -8.684 1.00 0.00 N ATOM 134 CA CYS A 9 9.994 1.816 -7.707 1.00 0.00 C ATOM 135 C CYS A 9 11.291 1.129 -8.122 1.00 0.00 C ATOM 136 O CYS A 9 12.380 1.661 -7.914 1.00 0.00 O ATOM 137 CB CYS A 9 9.562 1.323 -6.325 1.00 0.00 C ATOM 138 SG CYS A 9 8.036 2.079 -5.716 1.00 0.00 S ATOM 0 H CYS A 9 8.121 1.091 -8.310 1.00 0.00 H new ATOM 0 HA CYS A 9 10.171 2.891 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.430 0.242 -6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.363 1.522 -5.613 1.00 0.00 H new ATOM 0 HG CYS A 9 7.651 3.006 -6.542 1.00 0.00 H new ATOM 144 N GLN A 10 11.164 -0.057 -8.709 1.00 0.00 N ATOM 145 CA GLN A 10 12.327 -0.818 -9.152 1.00 0.00 C ATOM 146 C GLN A 10 13.112 -0.047 -10.208 1.00 0.00 C ATOM 147 O GLN A 10 14.342 -0.100 -10.243 1.00 0.00 O ATOM 148 CB GLN A 10 11.893 -2.174 -9.711 1.00 0.00 C ATOM 149 CG GLN A 10 13.047 -3.015 -10.232 1.00 0.00 C ATOM 150 CD GLN A 10 14.095 -3.288 -9.171 1.00 0.00 C ATOM 151 OE1 GLN A 10 13.771 -3.507 -8.004 1.00 0.00 O ATOM 152 NE2 GLN A 10 15.361 -3.276 -9.572 1.00 0.00 N ATOM 0 H GLN A 10 10.269 -0.511 -8.889 1.00 0.00 H new ATOM 0 HA GLN A 10 12.974 -0.979 -8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.373 -2.730 -8.931 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.178 -2.013 -10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.661 -3.962 -10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.513 -2.504 -11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.585 -3.090 -10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.110 -3.453 -8.902 1.00 0.00 H new ATOM 161 N TYR A 11 12.394 0.669 -11.066 1.00 0.00 N ATOM 162 CA TYR A 11 13.024 1.449 -12.125 1.00 0.00 C ATOM 163 C TYR A 11 13.811 2.620 -11.545 1.00 0.00 C ATOM 164 O TYR A 11 14.938 2.891 -11.960 1.00 0.00 O ATOM 165 CB TYR A 11 11.968 1.966 -13.104 1.00 0.00 C ATOM 166 CG TYR A 11 12.504 2.970 -14.098 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.481 2.613 -15.019 1.00 0.00 C ATOM 168 CD2 TYR A 11 12.032 4.277 -14.118 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.974 3.528 -15.929 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.518 5.198 -15.026 1.00 0.00 C ATOM 171 CZ TYR A 11 13.489 4.819 -15.929 1.00 0.00 C ATOM 172 OH TYR A 11 13.977 5.733 -16.834 1.00 0.00 O ATOM 0 H TYR A 11 11.376 0.726 -11.049 1.00 0.00 H new ATOM 0 HA TYR A 11 13.716 0.797 -12.658 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.543 1.121 -13.647 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.155 2.424 -12.540 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.862 1.602 -15.024 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.272 4.578 -13.412 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.735 3.234 -16.637 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.139 6.209 -15.029 1.00 0.00 H new ATOM 0 HH TYR A 11 14.467 5.264 -17.541 1.00 0.00 H new ATOM 182 N ILE A 12 13.210 3.309 -10.581 1.00 0.00 N ATOM 183 CA ILE A 12 13.854 4.449 -9.941 1.00 0.00 C ATOM 184 C ILE A 12 15.104 4.019 -9.182 1.00 0.00 C ATOM 185 O ILE A 12 16.105 4.736 -9.155 1.00 0.00 O ATOM 186 CB ILE A 12 12.897 5.165 -8.970 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.649 5.646 -9.711 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.603 6.332 -8.295 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.575 6.192 -8.795 1.00 0.00 C ATOM 0 H ILE A 12 12.278 3.097 -10.226 1.00 0.00 H new ATOM 0 HA ILE A 12 14.135 5.140 -10.736 1.00 0.00 H new ATOM 0 HB ILE A 12 12.588 4.458 -8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.935 6.420 -10.424 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.237 4.818 -10.288 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.914 6.828 -7.612 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.464 5.963 -7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.938 7.042 -9.052 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.720 6.514 -9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.261 5.414 -8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.970 7.041 -8.237 1.00 0.00 H new ATOM 201 N SER A 13 15.041 2.842 -8.566 1.00 0.00 N ATOM 202 CA SER A 13 16.167 2.317 -7.804 1.00 0.00 C ATOM 203 C SER A 13 17.345 2.002 -8.722 1.00 0.00 C ATOM 204 O SER A 13 18.490 2.332 -8.415 1.00 0.00 O ATOM 205 CB SER A 13 15.750 1.058 -7.041 1.00 0.00 C ATOM 206 OG SER A 13 16.606 0.825 -5.935 1.00 0.00 O ATOM 0 H SER A 13 14.222 2.235 -8.580 1.00 0.00 H new ATOM 0 HA SER A 13 16.479 3.080 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.722 1.163 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.774 0.198 -7.711 1.00 0.00 H new ATOM 0 HG SER A 13 16.318 0.016 -5.463 1.00 0.00 H new ATOM 212 N ASP A 14 17.053 1.361 -9.848 1.00 0.00 N ATOM 213 CA ASP A 14 18.087 1.002 -10.813 1.00 0.00 C ATOM 214 C ASP A 14 18.681 2.248 -11.462 1.00 0.00 C ATOM 215 O ASP A 14 19.822 2.235 -11.926 1.00 0.00 O ATOM 216 CB ASP A 14 17.512 0.076 -11.887 1.00 0.00 C ATOM 217 CG ASP A 14 17.718 -1.389 -11.559 1.00 0.00 C ATOM 218 OD1 ASP A 14 17.898 -1.711 -10.365 1.00 0.00 O ATOM 219 OD2 ASP A 14 17.699 -2.215 -12.495 1.00 0.00 O ATOM 0 H ASP A 14 16.110 1.079 -10.116 1.00 0.00 H new ATOM 0 HA ASP A 14 18.881 0.479 -10.280 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.446 0.274 -12.000 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.981 0.300 -12.845 1.00 0.00 H new ATOM 224 N HIS A 15 17.900 3.323 -11.492 1.00 0.00 N ATOM 225 CA HIS A 15 18.349 4.577 -12.086 1.00 0.00 C ATOM 226 C HIS A 15 18.798 5.558 -11.007 1.00 0.00 C ATOM 227 O HIS A 15 18.897 6.762 -11.250 1.00 0.00 O ATOM 228 CB HIS A 15 17.230 5.199 -12.923 1.00 0.00 C ATOM 229 CG HIS A 15 17.266 4.795 -14.364 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.447 5.695 -15.394 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.145 3.579 -14.946 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.433 5.050 -16.547 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.252 3.764 -16.303 1.00 0.00 N ATOM 0 H HIS A 15 16.954 3.351 -11.112 1.00 0.00 H new ATOM 0 HA HIS A 15 19.199 4.361 -12.733 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.268 4.914 -12.498 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.298 6.285 -12.857 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.993 2.638 -14.438 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.550 5.498 -17.523 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.200 3.028 -17.008 1.00 0.00 H new ATOM 241 N LEU A 16 19.068 5.037 -9.815 1.00 0.00 N ATOM 242 CA LEU A 16 19.507 5.866 -8.698 1.00 0.00 C ATOM 243 C LEU A 16 20.851 6.520 -9.001 1.00 0.00 C ATOM 244 O LEU A 16 21.169 7.583 -8.468 1.00 0.00 O ATOM 245 CB LEU A 16 19.610 5.027 -7.424 1.00 0.00 C ATOM 246 CG LEU A 16 19.649 5.806 -6.109 1.00 0.00 C ATOM 247 CD1 LEU A 16 18.898 5.054 -5.021 1.00 0.00 C ATOM 248 CD2 LEU A 16 21.087 6.065 -5.685 1.00 0.00 C ATOM 0 H LEU A 16 18.991 4.044 -9.597 1.00 0.00 H new ATOM 0 HA LEU A 16 18.767 6.652 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.761 4.344 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.510 4.415 -7.488 1.00 0.00 H new ATOM 0 HG LEU A 16 19.158 6.767 -6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 16 18.936 5.623 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.859 4.920 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 16 19.360 4.079 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.095 6.620 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 16 21.603 5.115 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.594 6.646 -6.455 1.00 0.00 H new ATOM 260 N ALA A 17 21.635 5.879 -9.861 1.00 0.00 N ATOM 261 CA ALA A 17 22.944 6.400 -10.237 1.00 0.00 C ATOM 262 C ALA A 17 22.843 7.302 -11.462 1.00 0.00 C ATOM 263 O ALA A 17 23.722 8.128 -11.711 1.00 0.00 O ATOM 264 CB ALA A 17 23.912 5.256 -10.500 1.00 0.00 C ATOM 0 H ALA A 17 21.387 4.998 -10.311 1.00 0.00 H new ATOM 0 HA ALA A 17 23.322 6.997 -9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.885 5.660 -10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.015 4.652 -9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.530 4.635 -11.311 1.00 0.00 H new ATOM 270 N ASP A 18 21.767 7.139 -12.225 1.00 0.00 N ATOM 271 CA ASP A 18 21.552 7.940 -13.424 1.00 0.00 C ATOM 272 C ASP A 18 21.435 9.420 -13.076 1.00 0.00 C ATOM 273 O ASP A 18 20.861 9.783 -12.049 1.00 0.00 O ATOM 274 CB ASP A 18 20.291 7.474 -14.155 1.00 0.00 C ATOM 275 CG ASP A 18 20.574 6.362 -15.146 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.105 5.314 -14.725 1.00 0.00 O ATOM 277 OD2 ASP A 18 20.264 6.541 -16.342 1.00 0.00 O ATOM 0 H ASP A 18 21.031 6.459 -12.034 1.00 0.00 H new ATOM 0 HA ASP A 18 22.413 7.807 -14.079 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.558 7.129 -13.426 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.845 8.319 -14.679 1.00 0.00 H new ATOM 282 N SER A 19 21.984 10.271 -13.937 1.00 0.00 N ATOM 283 CA SER A 19 21.946 11.712 -13.717 1.00 0.00 C ATOM 284 C SER A 19 20.597 12.290 -14.136 1.00 0.00 C ATOM 285 O SER A 19 19.978 13.050 -13.393 1.00 0.00 O ATOM 286 CB SER A 19 23.070 12.398 -14.496 1.00 0.00 C ATOM 287 OG SER A 19 23.391 13.655 -13.927 1.00 0.00 O ATOM 0 H SER A 19 22.460 9.987 -14.793 1.00 0.00 H new ATOM 0 HA SER A 19 22.086 11.896 -12.652 1.00 0.00 H new ATOM 0 HB2 SER A 19 23.955 11.761 -14.501 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.768 12.532 -15.535 1.00 0.00 H new ATOM 0 HG SER A 19 24.113 14.072 -14.442 1.00 0.00 H new ATOM 293 N ASN A 20 20.148 11.922 -15.331 1.00 0.00 N ATOM 294 CA ASN A 20 18.873 12.403 -15.850 1.00 0.00 C ATOM 295 C ASN A 20 17.719 11.545 -15.340 1.00 0.00 C ATOM 296 O ASN A 20 17.433 10.481 -15.889 1.00 0.00 O ATOM 297 CB ASN A 20 18.887 12.400 -17.380 1.00 0.00 C ATOM 298 CG ASN A 20 19.899 13.375 -17.951 1.00 0.00 C ATOM 299 OD1 ASN A 20 20.323 14.313 -17.275 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.291 13.157 -19.201 1.00 0.00 N ATOM 0 H ASN A 20 20.648 11.292 -15.958 1.00 0.00 H new ATOM 0 HA ASN A 20 18.728 13.424 -15.496 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.113 11.395 -17.737 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.894 12.653 -17.750 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.970 13.780 -19.638 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.913 12.367 -19.724 1.00 0.00 H new ATOM 307 N PHE A 21 17.060 12.016 -14.286 1.00 0.00 N ATOM 308 CA PHE A 21 15.938 11.292 -13.701 1.00 0.00 C ATOM 309 C PHE A 21 14.618 11.991 -14.012 1.00 0.00 C ATOM 310 O PHE A 21 14.327 13.059 -13.474 1.00 0.00 O ATOM 311 CB PHE A 21 16.118 11.168 -12.186 1.00 0.00 C ATOM 312 CG PHE A 21 14.933 10.561 -11.490 1.00 0.00 C ATOM 313 CD1 PHE A 21 14.360 9.391 -11.961 1.00 0.00 C ATOM 314 CD2 PHE A 21 14.393 11.160 -10.363 1.00 0.00 C ATOM 315 CE1 PHE A 21 13.270 8.831 -11.323 1.00 0.00 C ATOM 316 CE2 PHE A 21 13.303 10.604 -9.720 1.00 0.00 C ATOM 317 CZ PHE A 21 12.742 9.437 -10.200 1.00 0.00 C ATOM 0 H PHE A 21 17.284 12.895 -13.820 1.00 0.00 H new ATOM 0 HA PHE A 21 15.913 10.295 -14.140 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.000 10.561 -11.981 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.308 12.157 -11.768 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.770 8.911 -12.837 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.829 12.072 -9.983 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.831 7.920 -11.702 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.891 11.082 -8.843 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.892 8.999 -9.698 1.00 0.00 H new ATOM 327 N ASP A 22 13.824 11.381 -14.885 1.00 0.00 N ATOM 328 CA ASP A 22 12.535 11.943 -15.269 1.00 0.00 C ATOM 329 C ASP A 22 11.394 11.020 -14.854 1.00 0.00 C ATOM 330 O ASP A 22 11.444 9.812 -15.086 1.00 0.00 O ATOM 331 CB ASP A 22 12.488 12.184 -16.779 1.00 0.00 C ATOM 332 CG ASP A 22 12.094 10.941 -17.552 1.00 0.00 C ATOM 333 OD1 ASP A 22 12.833 9.937 -17.477 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.047 10.972 -18.232 1.00 0.00 O ATOM 0 H ASP A 22 14.051 10.497 -15.340 1.00 0.00 H new ATOM 0 HA ASP A 22 12.414 12.895 -14.753 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.778 12.983 -16.995 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.465 12.526 -17.120 1.00 0.00 H new ATOM 339 N ILE A 23 10.367 11.597 -14.239 1.00 0.00 N ATOM 340 CA ILE A 23 9.214 10.825 -13.791 1.00 0.00 C ATOM 341 C ILE A 23 8.401 10.314 -14.976 1.00 0.00 C ATOM 342 O ILE A 23 7.671 9.330 -14.863 1.00 0.00 O ATOM 343 CB ILE A 23 8.298 11.660 -12.877 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.255 10.763 -12.207 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.621 12.766 -13.673 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.343 11.505 -11.255 1.00 0.00 C ATOM 0 H ILE A 23 10.310 12.596 -14.040 1.00 0.00 H new ATOM 0 HA ILE A 23 9.602 9.977 -13.226 1.00 0.00 H new ATOM 0 HB ILE A 23 8.907 12.120 -12.099 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.651 10.284 -12.977 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.766 9.969 -11.663 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.977 13.347 -13.013 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.379 13.418 -14.107 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.021 12.326 -14.470 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.629 10.807 -10.817 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.937 11.961 -10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.804 12.282 -11.798 1.00 0.00 H new ATOM 358 N ALA A 24 8.534 10.989 -16.113 1.00 0.00 N ATOM 359 CA ALA A 24 7.815 10.601 -17.320 1.00 0.00 C ATOM 360 C ALA A 24 8.162 9.175 -17.732 1.00 0.00 C ATOM 361 O ALA A 24 7.292 8.407 -18.141 1.00 0.00 O ATOM 362 CB ALA A 24 8.123 11.570 -18.452 1.00 0.00 C ATOM 0 H ALA A 24 9.133 11.807 -16.223 1.00 0.00 H new ATOM 0 HA ALA A 24 6.747 10.639 -17.105 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.579 11.268 -19.347 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.817 12.576 -18.163 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.193 11.561 -18.657 1.00 0.00 H new ATOM 368 N SER A 25 9.440 8.827 -17.621 1.00 0.00 N ATOM 369 CA SER A 25 9.904 7.493 -17.987 1.00 0.00 C ATOM 370 C SER A 25 9.400 6.452 -16.992 1.00 0.00 C ATOM 371 O SER A 25 9.192 5.291 -17.343 1.00 0.00 O ATOM 372 CB SER A 25 11.432 7.460 -18.047 1.00 0.00 C ATOM 373 OG SER A 25 11.895 6.227 -18.569 1.00 0.00 O ATOM 0 H SER A 25 10.173 9.450 -17.281 1.00 0.00 H new ATOM 0 HA SER A 25 9.504 7.253 -18.972 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.792 8.280 -18.668 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.842 7.613 -17.049 1.00 0.00 H new ATOM 0 HG SER A 25 12.638 5.898 -18.021 1.00 0.00 H new ATOM 379 N VAL A 26 9.207 6.877 -15.747 1.00 0.00 N ATOM 380 CA VAL A 26 8.727 5.982 -14.700 1.00 0.00 C ATOM 381 C VAL A 26 7.285 5.561 -14.956 1.00 0.00 C ATOM 382 O VAL A 26 6.947 4.381 -14.870 1.00 0.00 O ATOM 383 CB VAL A 26 8.819 6.643 -13.312 1.00 0.00 C ATOM 384 CG1 VAL A 26 8.262 5.718 -12.242 1.00 0.00 C ATOM 385 CG2 VAL A 26 10.257 7.028 -13.000 1.00 0.00 C ATOM 0 H VAL A 26 9.376 7.835 -15.439 1.00 0.00 H new ATOM 0 HA VAL A 26 9.368 5.101 -14.718 1.00 0.00 H new ATOM 0 HB VAL A 26 8.217 7.552 -13.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.336 6.202 -11.268 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.217 5.498 -12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.834 4.790 -12.230 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.304 7.494 -12.016 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.883 6.136 -13.009 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.617 7.731 -13.751 1.00 0.00 H new ATOM 395 N ALA A 27 6.437 6.535 -15.271 1.00 0.00 N ATOM 396 CA ALA A 27 5.030 6.265 -15.542 1.00 0.00 C ATOM 397 C ALA A 27 4.869 5.371 -16.767 1.00 0.00 C ATOM 398 O ALA A 27 4.028 4.472 -16.783 1.00 0.00 O ATOM 399 CB ALA A 27 4.270 7.569 -15.734 1.00 0.00 C ATOM 0 H ALA A 27 6.700 7.518 -15.345 1.00 0.00 H new ATOM 0 HA ALA A 27 4.614 5.738 -14.683 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.221 7.352 -15.936 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.349 8.173 -14.830 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.695 8.118 -16.574 1.00 0.00 H new ATOM 405 N GLN A 28 5.679 5.624 -17.789 1.00 0.00 N ATOM 406 CA GLN A 28 5.624 4.842 -19.019 1.00 0.00 C ATOM 407 C GLN A 28 6.003 3.388 -18.756 1.00 0.00 C ATOM 408 O GLN A 28 5.436 2.471 -19.351 1.00 0.00 O ATOM 409 CB GLN A 28 6.557 5.442 -20.072 1.00 0.00 C ATOM 410 CG GLN A 28 6.581 4.664 -21.378 1.00 0.00 C ATOM 411 CD GLN A 28 7.251 5.429 -22.501 1.00 0.00 C ATOM 412 OE1 GLN A 28 6.584 5.988 -23.372 1.00 0.00 O ATOM 413 NE2 GLN A 28 8.579 5.459 -22.488 1.00 0.00 N ATOM 0 H GLN A 28 6.381 6.364 -17.790 1.00 0.00 H new ATOM 0 HA GLN A 28 4.600 4.870 -19.393 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.250 6.468 -20.275 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.568 5.487 -19.667 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.104 3.720 -21.224 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.560 4.419 -21.669 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.093 4.982 -21.747 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.085 5.959 -23.219 1.00 0.00 H new ATOM 422 N HIS A 29 6.966 3.184 -17.862 1.00 0.00 N ATOM 423 CA HIS A 29 7.421 1.841 -17.521 1.00 0.00 C ATOM 424 C HIS A 29 6.264 0.990 -17.006 1.00 0.00 C ATOM 425 O HIS A 29 6.211 -0.216 -17.246 1.00 0.00 O ATOM 426 CB HIS A 29 8.529 1.907 -16.469 1.00 0.00 C ATOM 427 CG HIS A 29 8.853 0.579 -15.857 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.901 -0.593 -16.582 1.00 0.00 N ATOM 429 CD2 HIS A 29 9.147 0.241 -14.580 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.210 -1.594 -15.777 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.365 -1.114 -14.557 1.00 0.00 N ATOM 0 H HIS A 29 7.446 3.932 -17.361 1.00 0.00 H new ATOM 0 HA HIS A 29 7.816 1.377 -18.425 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.430 2.316 -16.927 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.230 2.598 -15.681 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.200 0.913 -13.736 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.317 -2.629 -16.068 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.607 -1.661 -13.731 1.00 0.00 H new ATOM 439 N VAL A 30 5.338 1.627 -16.295 1.00 0.00 N ATOM 440 CA VAL A 30 4.182 0.929 -15.746 1.00 0.00 C ATOM 441 C VAL A 30 2.956 1.113 -16.634 1.00 0.00 C ATOM 442 O VAL A 30 1.827 0.860 -16.212 1.00 0.00 O ATOM 443 CB VAL A 30 3.851 1.422 -14.325 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.983 1.086 -13.366 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.573 2.917 -14.332 1.00 0.00 C ATOM 0 H VAL A 30 5.366 2.625 -16.086 1.00 0.00 H new ATOM 0 HA VAL A 30 4.442 -0.129 -15.704 1.00 0.00 H new ATOM 0 HB VAL A 30 2.952 0.910 -13.981 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.731 1.442 -12.367 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.130 0.006 -13.340 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.900 1.569 -13.703 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.341 3.249 -13.320 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.452 3.449 -14.695 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.726 3.127 -14.986 1.00 0.00 H new ATOM 455 N CYS A 31 3.186 1.554 -17.866 1.00 0.00 N ATOM 456 CA CYS A 31 2.100 1.772 -18.815 1.00 0.00 C ATOM 457 C CYS A 31 1.008 2.641 -18.200 1.00 0.00 C ATOM 458 O CYS A 31 -0.180 2.435 -18.452 1.00 0.00 O ATOM 459 CB CYS A 31 1.511 0.435 -19.265 1.00 0.00 C ATOM 460 SG CYS A 31 2.632 -0.562 -20.275 1.00 0.00 S ATOM 0 H CYS A 31 4.114 1.767 -18.231 1.00 0.00 H new ATOM 0 HA CYS A 31 2.508 2.291 -19.683 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.225 -0.139 -18.384 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.599 0.624 -19.832 1.00 0.00 H new ATOM 0 HG CYS A 31 2.046 -1.674 -20.605 1.00 0.00 H new ATOM 466 N LEU A 32 1.417 3.613 -17.392 1.00 0.00 N ATOM 467 CA LEU A 32 0.473 4.513 -16.739 1.00 0.00 C ATOM 468 C LEU A 32 0.957 5.958 -16.814 1.00 0.00 C ATOM 469 O LEU A 32 2.125 6.217 -17.105 1.00 0.00 O ATOM 470 CB LEU A 32 0.275 4.105 -15.278 1.00 0.00 C ATOM 471 CG LEU A 32 -1.135 4.284 -14.716 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.130 3.428 -15.485 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.167 3.940 -13.234 1.00 0.00 C ATOM 0 H LEU A 32 2.396 3.798 -17.173 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.480 4.441 -17.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.556 3.057 -15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.965 4.683 -14.664 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.421 5.329 -14.832 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.128 3.569 -15.070 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.128 3.722 -16.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.848 2.379 -15.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.179 4.073 -12.851 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.860 2.904 -13.094 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.485 4.596 -12.693 1.00 0.00 H new ATOM 485 N SER A 33 0.052 6.894 -16.548 1.00 0.00 N ATOM 486 CA SER A 33 0.387 8.313 -16.586 1.00 0.00 C ATOM 487 C SER A 33 1.053 8.750 -15.285 1.00 0.00 C ATOM 488 O SER A 33 0.932 8.099 -14.247 1.00 0.00 O ATOM 489 CB SER A 33 -0.871 9.149 -16.834 1.00 0.00 C ATOM 490 OG SER A 33 -1.106 9.318 -18.221 1.00 0.00 O ATOM 0 H SER A 33 -0.918 6.696 -16.304 1.00 0.00 H new ATOM 0 HA SER A 33 1.089 8.473 -17.404 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.731 8.663 -16.373 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.763 10.124 -16.359 1.00 0.00 H new ATOM 0 HG SER A 33 -1.916 9.854 -18.353 1.00 0.00 H new ATOM 496 N PRO A 34 1.775 9.879 -15.342 1.00 0.00 N ATOM 497 CA PRO A 34 2.476 10.429 -14.177 1.00 0.00 C ATOM 498 C PRO A 34 1.514 10.980 -13.130 1.00 0.00 C ATOM 499 O PRO A 34 1.733 10.821 -11.929 1.00 0.00 O ATOM 500 CB PRO A 34 3.321 11.558 -14.773 1.00 0.00 C ATOM 501 CG PRO A 34 2.599 11.959 -16.012 1.00 0.00 C ATOM 502 CD PRO A 34 1.963 10.705 -16.546 1.00 0.00 C ATOM 0 HA PRO A 34 3.060 9.670 -13.656 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.411 12.394 -14.079 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.333 11.219 -14.997 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.846 12.717 -15.797 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.285 12.389 -16.741 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.015 10.915 -17.042 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.602 10.210 -17.277 1.00 0.00 H new ATOM 510 N SER A 35 0.450 11.628 -13.592 1.00 0.00 N ATOM 511 CA SER A 35 -0.543 12.205 -12.695 1.00 0.00 C ATOM 512 C SER A 35 -1.258 11.115 -11.902 1.00 0.00 C ATOM 513 O SER A 35 -1.420 11.222 -10.686 1.00 0.00 O ATOM 514 CB SER A 35 -1.562 13.026 -13.487 1.00 0.00 C ATOM 515 OG SER A 35 -2.150 14.030 -12.677 1.00 0.00 O ATOM 0 H SER A 35 0.254 11.767 -14.583 1.00 0.00 H new ATOM 0 HA SER A 35 -0.025 12.860 -11.994 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.074 13.487 -14.345 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.339 12.368 -13.877 1.00 0.00 H new ATOM 0 HG SER A 35 -2.796 14.541 -13.207 1.00 0.00 H new ATOM 521 N ARG A 36 -1.684 10.067 -12.600 1.00 0.00 N ATOM 522 CA ARG A 36 -2.382 8.958 -11.962 1.00 0.00 C ATOM 523 C ARG A 36 -1.424 8.129 -11.112 1.00 0.00 C ATOM 524 O ARG A 36 -1.800 7.614 -10.058 1.00 0.00 O ATOM 525 CB ARG A 36 -3.043 8.069 -13.018 1.00 0.00 C ATOM 526 CG ARG A 36 -3.817 6.900 -12.432 1.00 0.00 C ATOM 527 CD ARG A 36 -5.017 7.374 -11.627 1.00 0.00 C ATOM 528 NE ARG A 36 -6.039 6.338 -11.506 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.108 6.448 -10.726 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.295 7.542 -10.001 1.00 0.00 N ATOM 531 NH2 ARG A 36 -7.994 5.461 -10.669 1.00 0.00 N ATOM 0 H ARG A 36 -1.558 9.963 -13.607 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.152 9.372 -11.311 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.719 8.676 -13.620 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.275 7.685 -13.690 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.153 6.245 -13.236 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.159 6.310 -11.794 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.689 7.678 -10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.448 8.255 -12.103 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.925 5.483 -12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.617 8.303 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.117 7.623 -9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.854 4.617 -11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.815 5.546 -10.070 1.00 0.00 H new ATOM 545 N LEU A 37 -0.186 8.004 -11.577 1.00 0.00 N ATOM 546 CA LEU A 37 0.827 7.237 -10.859 1.00 0.00 C ATOM 547 C LEU A 37 1.215 7.931 -9.558 1.00 0.00 C ATOM 548 O LEU A 37 1.328 7.293 -8.512 1.00 0.00 O ATOM 549 CB LEU A 37 2.064 7.043 -11.737 1.00 0.00 C ATOM 550 CG LEU A 37 3.300 6.474 -11.038 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.153 4.975 -10.830 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.556 6.782 -11.841 1.00 0.00 C ATOM 0 H LEU A 37 0.141 8.423 -12.447 1.00 0.00 H new ATOM 0 HA LEU A 37 0.405 6.262 -10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.800 6.380 -12.561 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.329 8.006 -12.174 1.00 0.00 H new ATOM 0 HG LEU A 37 3.392 6.948 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.042 4.588 -10.332 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.276 4.777 -10.213 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.036 4.483 -11.796 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.425 6.370 -11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.473 6.335 -12.832 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.670 7.862 -11.938 1.00 0.00 H new ATOM 564 N SER A 38 1.417 9.243 -9.631 1.00 0.00 N ATOM 565 CA SER A 38 1.794 10.025 -8.459 1.00 0.00 C ATOM 566 C SER A 38 0.735 9.912 -7.367 1.00 0.00 C ATOM 567 O SER A 38 1.056 9.814 -6.182 1.00 0.00 O ATOM 568 CB SER A 38 1.995 11.492 -8.842 1.00 0.00 C ATOM 569 OG SER A 38 3.098 11.645 -9.717 1.00 0.00 O ATOM 0 H SER A 38 1.326 9.787 -10.489 1.00 0.00 H new ATOM 0 HA SER A 38 2.732 9.626 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.092 11.873 -9.320 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.155 12.087 -7.943 1.00 0.00 H new ATOM 0 HG SER A 38 2.842 11.361 -10.619 1.00 0.00 H new ATOM 575 N HIS A 39 -0.530 9.927 -7.774 1.00 0.00 N ATOM 576 CA HIS A 39 -1.638 9.826 -6.831 1.00 0.00 C ATOM 577 C HIS A 39 -1.560 8.525 -6.038 1.00 0.00 C ATOM 578 O HIS A 39 -1.664 8.527 -4.811 1.00 0.00 O ATOM 579 CB HIS A 39 -2.974 9.907 -7.571 1.00 0.00 C ATOM 580 CG HIS A 39 -4.163 9.929 -6.660 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.945 11.048 -6.471 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.702 8.959 -5.885 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.914 10.767 -5.618 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.789 9.505 -5.248 1.00 0.00 N ATOM 0 H HIS A 39 -0.813 10.008 -8.750 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.566 10.661 -6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.984 10.805 -8.189 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.059 9.055 -8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.344 7.945 -5.786 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.678 11.452 -5.281 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.401 9.015 -4.595 1.00 0.00 H new ATOM 592 N LEU A 40 -1.377 7.416 -6.746 1.00 0.00 N ATOM 593 CA LEU A 40 -1.286 6.108 -6.109 1.00 0.00 C ATOM 594 C LEU A 40 0.034 5.958 -5.360 1.00 0.00 C ATOM 595 O LEU A 40 0.106 5.279 -4.335 1.00 0.00 O ATOM 596 CB LEU A 40 -1.421 4.999 -7.153 1.00 0.00 C ATOM 597 CG LEU A 40 -2.842 4.504 -7.427 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.844 3.479 -8.551 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.453 3.914 -6.164 1.00 0.00 C ATOM 0 H LEU A 40 -1.289 7.397 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.102 6.024 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.995 5.356 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.818 4.150 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.449 5.354 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.864 3.139 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.447 3.934 -9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.222 2.629 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.464 3.567 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.846 3.076 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.488 4.677 -5.386 1.00 0.00 H new ATOM 611 N PHE A 41 1.078 6.598 -5.877 1.00 0.00 N ATOM 612 CA PHE A 41 2.396 6.537 -5.256 1.00 0.00 C ATOM 613 C PHE A 41 2.359 7.113 -3.844 1.00 0.00 C ATOM 614 O PHE A 41 2.826 6.485 -2.893 1.00 0.00 O ATOM 615 CB PHE A 41 3.417 7.299 -6.103 1.00 0.00 C ATOM 616 CG PHE A 41 4.715 6.565 -6.282 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.868 5.640 -7.303 1.00 0.00 C ATOM 618 CD2 PHE A 41 5.782 6.798 -5.429 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.061 4.962 -7.470 1.00 0.00 C ATOM 620 CE2 PHE A 41 6.978 6.124 -5.592 1.00 0.00 C ATOM 621 CZ PHE A 41 7.117 5.204 -6.613 1.00 0.00 C ATOM 0 H PHE A 41 1.037 7.165 -6.724 1.00 0.00 H new ATOM 0 HA PHE A 41 2.693 5.490 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.985 7.501 -7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.616 8.264 -5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.046 5.447 -7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.678 7.514 -4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.167 4.244 -8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.803 6.317 -4.922 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.050 4.675 -6.741 1.00 0.00 H new ATOM 631 N ARG A 42 1.803 8.313 -3.714 1.00 0.00 N ATOM 632 CA ARG A 42 1.706 8.975 -2.419 1.00 0.00 C ATOM 633 C ARG A 42 0.699 8.266 -1.519 1.00 0.00 C ATOM 634 O ARG A 42 0.770 8.364 -0.295 1.00 0.00 O ATOM 635 CB ARG A 42 1.302 10.439 -2.600 1.00 0.00 C ATOM 636 CG ARG A 42 1.094 11.180 -1.289 1.00 0.00 C ATOM 637 CD ARG A 42 1.300 12.677 -1.456 1.00 0.00 C ATOM 638 NE ARG A 42 0.937 13.418 -0.251 1.00 0.00 N ATOM 639 CZ ARG A 42 1.219 14.702 -0.064 1.00 0.00 C ATOM 640 NH1 ARG A 42 1.865 15.385 -0.999 1.00 0.00 N ATOM 641 NH2 ARG A 42 0.855 15.306 1.060 1.00 0.00 N ATOM 0 H ARG A 42 1.413 8.847 -4.490 1.00 0.00 H new ATOM 0 HA ARG A 42 2.686 8.931 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.071 10.951 -3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.382 10.484 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.087 10.989 -0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.787 10.798 -0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.343 12.874 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.702 13.034 -2.295 1.00 0.00 H new ATOM 0 HE ARG A 42 0.439 12.922 0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.146 14.924 -1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.080 16.371 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.358 14.784 1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.072 16.292 1.202 1.00 0.00 H new ATOM 655 N GLN A 43 -0.238 7.552 -2.136 1.00 0.00 N ATOM 656 CA GLN A 43 -1.260 6.828 -1.390 1.00 0.00 C ATOM 657 C GLN A 43 -0.703 5.523 -0.830 1.00 0.00 C ATOM 658 O GLN A 43 -0.958 5.173 0.322 1.00 0.00 O ATOM 659 CB GLN A 43 -2.466 6.538 -2.286 1.00 0.00 C ATOM 660 CG GLN A 43 -3.699 6.088 -1.520 1.00 0.00 C ATOM 661 CD GLN A 43 -4.503 7.250 -0.973 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.994 8.363 -0.836 1.00 0.00 O ATOM 663 NE2 GLN A 43 -5.768 6.999 -0.656 1.00 0.00 N ATOM 0 H GLN A 43 -0.310 7.460 -3.149 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.577 7.454 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.709 7.435 -2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.195 5.767 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.332 5.491 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.395 5.442 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -6.150 6.062 -0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -6.358 7.743 -0.283 1.00 0.00 H new ATOM 672 N GLN A 44 0.057 4.808 -1.653 1.00 0.00 N ATOM 673 CA GLN A 44 0.649 3.541 -1.239 1.00 0.00 C ATOM 674 C GLN A 44 1.929 3.773 -0.443 1.00 0.00 C ATOM 675 O GLN A 44 2.186 3.092 0.551 1.00 0.00 O ATOM 676 CB GLN A 44 0.944 2.669 -2.460 1.00 0.00 C ATOM 677 CG GLN A 44 -0.305 2.140 -3.146 1.00 0.00 C ATOM 678 CD GLN A 44 -0.951 1.001 -2.383 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.331 0.390 -1.512 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.205 0.708 -2.706 1.00 0.00 N ATOM 0 H GLN A 44 0.277 5.084 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.067 3.026 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.525 3.248 -3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.564 1.827 -2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.024 2.951 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.048 1.801 -4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.682 1.240 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.692 -0.049 -2.226 1.00 0.00 H new ATOM 689 N LEU A 45 2.729 4.736 -0.886 1.00 0.00 N ATOM 690 CA LEU A 45 3.984 5.058 -0.215 1.00 0.00 C ATOM 691 C LEU A 45 3.762 6.086 0.890 1.00 0.00 C ATOM 692 O LEU A 45 4.625 6.292 1.743 1.00 0.00 O ATOM 693 CB LEU A 45 5.003 5.589 -1.224 1.00 0.00 C ATOM 694 CG LEU A 45 6.392 4.951 -1.174 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.094 5.096 -2.515 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.225 5.573 -0.063 1.00 0.00 C ATOM 0 H LEU A 45 2.531 5.308 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 45 4.371 4.144 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.598 5.451 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.112 6.662 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 45 6.276 3.888 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.081 4.636 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.506 4.603 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.199 6.153 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.210 5.107 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.333 6.642 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.729 5.416 0.895 1.00 0.00 H new ATOM 708 N GLY A 46 2.598 6.727 0.870 1.00 0.00 N ATOM 709 CA GLY A 46 2.282 7.724 1.876 1.00 0.00 C ATOM 710 C GLY A 46 3.104 8.988 1.718 1.00 0.00 C ATOM 711 O GLY A 46 3.018 9.900 2.541 1.00 0.00 O ATOM 0 H GLY A 46 1.868 6.574 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.223 7.973 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.455 7.303 2.867 1.00 0.00 H new ATOM 715 N ILE A 47 3.904 9.043 0.658 1.00 0.00 N ATOM 716 CA ILE A 47 4.745 10.204 0.396 1.00 0.00 C ATOM 717 C ILE A 47 4.974 10.390 -1.101 1.00 0.00 C ATOM 718 O ILE A 47 4.750 9.474 -1.892 1.00 0.00 O ATOM 719 CB ILE A 47 6.109 10.082 1.101 1.00 0.00 C ATOM 720 CG1 ILE A 47 6.883 8.879 0.559 1.00 0.00 C ATOM 721 CG2 ILE A 47 5.918 9.962 2.605 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.233 8.684 1.213 1.00 0.00 C ATOM 0 H ILE A 47 3.987 8.297 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 47 4.217 11.072 0.792 1.00 0.00 H new ATOM 0 HB ILE A 47 6.688 10.983 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.286 7.979 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.023 9.001 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.891 9.877 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.403 10.847 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.323 9.076 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.725 7.813 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.848 9.568 1.048 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.100 8.530 2.284 1.00 0.00 H new ATOM 734 N SER A 48 5.423 11.581 -1.481 1.00 0.00 N ATOM 735 CA SER A 48 5.681 11.889 -2.883 1.00 0.00 C ATOM 736 C SER A 48 6.959 11.207 -3.363 1.00 0.00 C ATOM 737 O SER A 48 7.915 11.050 -2.603 1.00 0.00 O ATOM 738 CB SER A 48 5.790 13.401 -3.084 1.00 0.00 C ATOM 739 OG SER A 48 6.684 13.713 -4.138 1.00 0.00 O ATOM 0 H SER A 48 5.616 12.349 -0.838 1.00 0.00 H new ATOM 0 HA SER A 48 4.845 11.511 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.805 13.813 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.133 13.870 -2.162 1.00 0.00 H new ATOM 0 HG SER A 48 6.735 14.686 -4.247 1.00 0.00 H new ATOM 745 N VAL A 49 6.968 10.805 -4.630 1.00 0.00 N ATOM 746 CA VAL A 49 8.128 10.141 -5.212 1.00 0.00 C ATOM 747 C VAL A 49 9.390 10.977 -5.028 1.00 0.00 C ATOM 748 O VAL A 49 10.487 10.439 -4.872 1.00 0.00 O ATOM 749 CB VAL A 49 7.922 9.867 -6.714 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.463 11.128 -7.429 1.00 0.00 C ATOM 751 CG2 VAL A 49 9.201 9.327 -7.337 1.00 0.00 C ATOM 0 H VAL A 49 6.185 10.928 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 49 8.245 9.192 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 49 7.144 9.112 -6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.323 10.915 -8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.520 11.467 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.216 11.907 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.038 9.139 -8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.001 10.058 -7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.482 8.397 -6.843 1.00 0.00 H new ATOM 761 N LEU A 50 9.227 12.295 -5.046 1.00 0.00 N ATOM 762 CA LEU A 50 10.353 13.208 -4.880 1.00 0.00 C ATOM 763 C LEU A 50 10.996 13.035 -3.508 1.00 0.00 C ATOM 764 O LEU A 50 12.219 12.960 -3.389 1.00 0.00 O ATOM 765 CB LEU A 50 9.894 14.655 -5.062 1.00 0.00 C ATOM 766 CG LEU A 50 10.785 15.538 -5.936 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.929 14.940 -7.327 1.00 0.00 C ATOM 768 CD2 LEU A 50 10.223 16.950 -6.016 1.00 0.00 C ATOM 0 H LEU A 50 8.326 12.756 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 50 11.096 12.971 -5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.892 14.646 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.814 15.116 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 50 11.774 15.587 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.566 15.582 -7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.377 13.949 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.946 14.859 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.870 17.564 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.223 16.920 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.173 17.379 -5.015 1.00 0.00 H new ATOM 780 N SER A 51 10.164 12.971 -2.474 1.00 0.00 N ATOM 781 CA SER A 51 10.651 12.808 -1.109 1.00 0.00 C ATOM 782 C SER A 51 11.157 11.388 -0.878 1.00 0.00 C ATOM 783 O SER A 51 12.160 11.178 -0.196 1.00 0.00 O ATOM 784 CB SER A 51 9.542 13.136 -0.107 1.00 0.00 C ATOM 785 OG SER A 51 8.918 14.368 -0.422 1.00 0.00 O ATOM 0 H SER A 51 9.149 13.030 -2.555 1.00 0.00 H new ATOM 0 HA SER A 51 11.481 13.499 -0.961 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.799 12.338 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.959 13.183 0.899 1.00 0.00 H new ATOM 0 HG SER A 51 8.212 14.554 0.232 1.00 0.00 H new ATOM 791 N TRP A 52 10.456 10.417 -1.452 1.00 0.00 N ATOM 792 CA TRP A 52 10.834 9.015 -1.310 1.00 0.00 C ATOM 793 C TRP A 52 12.250 8.778 -1.823 1.00 0.00 C ATOM 794 O TRP A 52 13.021 8.031 -1.221 1.00 0.00 O ATOM 795 CB TRP A 52 9.848 8.121 -2.063 1.00 0.00 C ATOM 796 CG TRP A 52 10.232 6.672 -2.051 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.275 5.845 -0.965 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.627 5.880 -3.176 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.673 4.587 -1.347 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.895 4.582 -2.699 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.779 6.141 -4.541 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.307 3.551 -3.539 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.189 5.116 -5.373 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.448 3.834 -4.870 1.00 0.00 C ATOM 0 H TRP A 52 9.623 10.574 -2.020 1.00 0.00 H new ATOM 0 HA TRP A 52 10.806 8.762 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.858 8.231 -1.621 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.775 8.462 -3.096 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.032 6.137 0.046 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.785 3.786 -0.725 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.580 7.125 -4.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.508 2.562 -3.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.312 5.307 -6.429 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.765 3.054 -5.546 1.00 0.00 H new ATOM 815 N ARG A 53 12.585 9.418 -2.938 1.00 0.00 N ATOM 816 CA ARG A 53 13.909 9.275 -3.532 1.00 0.00 C ATOM 817 C ARG A 53 14.986 9.818 -2.598 1.00 0.00 C ATOM 818 O ARG A 53 16.004 9.168 -2.365 1.00 0.00 O ATOM 819 CB ARG A 53 13.970 10.005 -4.876 1.00 0.00 C ATOM 820 CG ARG A 53 13.966 9.072 -6.076 1.00 0.00 C ATOM 821 CD ARG A 53 14.996 9.493 -7.112 1.00 0.00 C ATOM 822 NE ARG A 53 16.362 9.338 -6.620 1.00 0.00 N ATOM 823 CZ ARG A 53 17.425 9.258 -7.413 1.00 0.00 C ATOM 824 NH1 ARG A 53 17.279 9.318 -8.730 1.00 0.00 N ATOM 825 NH2 ARG A 53 18.636 9.117 -6.890 1.00 0.00 N ATOM 0 H ARG A 53 11.958 10.040 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 53 14.094 8.213 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.120 10.683 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.870 10.618 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.174 8.054 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.975 9.064 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.866 8.897 -8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.827 10.533 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 53 16.508 9.288 -5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.349 9.426 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.096 9.256 -9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.752 9.070 -5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.451 9.056 -7.500 1.00 0.00 H new ATOM 839 N GLU A 54 14.753 11.014 -2.065 1.00 0.00 N ATOM 840 CA GLU A 54 15.704 11.644 -1.157 1.00 0.00 C ATOM 841 C GLU A 54 15.882 10.810 0.109 1.00 0.00 C ATOM 842 O GLU A 54 17.004 10.572 0.556 1.00 0.00 O ATOM 843 CB GLU A 54 15.237 13.054 -0.791 1.00 0.00 C ATOM 844 CG GLU A 54 16.289 13.874 -0.064 1.00 0.00 C ATOM 845 CD GLU A 54 15.970 15.357 -0.056 1.00 0.00 C ATOM 846 OE1 GLU A 54 14.904 15.730 0.477 1.00 0.00 O ATOM 847 OE2 GLU A 54 16.785 16.143 -0.582 1.00 0.00 O ATOM 0 H GLU A 54 13.914 11.565 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 54 16.665 11.709 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.945 13.578 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.348 12.982 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.375 13.519 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.258 13.717 -0.538 1.00 0.00 H new ATOM 854 N ASP A 55 14.766 10.370 0.681 1.00 0.00 N ATOM 855 CA ASP A 55 14.797 9.563 1.895 1.00 0.00 C ATOM 856 C ASP A 55 15.567 8.266 1.666 1.00 0.00 C ATOM 857 O ASP A 55 16.338 7.832 2.522 1.00 0.00 O ATOM 858 CB ASP A 55 13.375 9.250 2.362 1.00 0.00 C ATOM 859 CG ASP A 55 13.243 9.271 3.872 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.028 10.366 4.434 1.00 0.00 O ATOM 861 OD2 ASP A 55 13.353 8.193 4.492 1.00 0.00 O ATOM 0 H ASP A 55 13.830 10.559 0.323 1.00 0.00 H new ATOM 0 HA ASP A 55 15.307 10.136 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.686 9.976 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.081 8.269 1.988 1.00 0.00 H new ATOM 866 N GLN A 56 15.351 7.653 0.507 1.00 0.00 N ATOM 867 CA GLN A 56 16.024 6.404 0.167 1.00 0.00 C ATOM 868 C GLN A 56 17.509 6.639 -0.091 1.00 0.00 C ATOM 869 O GLN A 56 18.345 5.794 0.230 1.00 0.00 O ATOM 870 CB GLN A 56 15.375 5.769 -1.064 1.00 0.00 C ATOM 871 CG GLN A 56 14.217 4.842 -0.730 1.00 0.00 C ATOM 872 CD GLN A 56 14.612 3.736 0.229 1.00 0.00 C ATOM 873 OE1 GLN A 56 14.073 3.633 1.331 1.00 0.00 O ATOM 874 NE2 GLN A 56 15.558 2.902 -0.186 1.00 0.00 N ATOM 0 H GLN A 56 14.716 8.000 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 56 15.924 5.724 1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.018 6.559 -1.725 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.131 5.209 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.405 5.424 -0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.833 4.400 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.978 3.025 -1.108 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.865 2.139 0.417 1.00 0.00 H new ATOM 883 N ARG A 57 17.829 7.790 -0.671 1.00 0.00 N ATOM 884 CA ARG A 57 19.213 8.135 -0.973 1.00 0.00 C ATOM 885 C ARG A 57 20.066 8.118 0.292 1.00 0.00 C ATOM 886 O ARG A 57 21.158 7.550 0.308 1.00 0.00 O ATOM 887 CB ARG A 57 19.285 9.514 -1.632 1.00 0.00 C ATOM 888 CG ARG A 57 19.008 9.490 -3.127 1.00 0.00 C ATOM 889 CD ARG A 57 18.370 10.788 -3.595 1.00 0.00 C ATOM 890 NE ARG A 57 19.023 11.959 -3.016 1.00 0.00 N ATOM 891 CZ ARG A 57 18.473 13.168 -2.988 1.00 0.00 C ATOM 892 NH1 ARG A 57 17.267 13.364 -3.504 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.130 14.185 -2.444 1.00 0.00 N ATOM 0 H ARG A 57 17.149 8.500 -0.942 1.00 0.00 H new ATOM 0 HA ARG A 57 19.605 7.389 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.567 10.176 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.275 9.938 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 57 19.940 9.325 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.350 8.654 -3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.421 10.845 -4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 57 17.314 10.791 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 57 19.952 11.842 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 57 16.759 12.585 -3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 57 16.847 14.293 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 57 20.058 14.039 -2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 57 18.707 15.113 -2.423 1.00 0.00 H new ATOM 907 N ILE A 58 19.560 8.746 1.348 1.00 0.00 N ATOM 908 CA ILE A 58 20.276 8.802 2.617 1.00 0.00 C ATOM 909 C ILE A 58 20.241 7.454 3.328 1.00 0.00 C ATOM 910 O ILE A 58 21.259 6.982 3.835 1.00 0.00 O ATOM 911 CB ILE A 58 19.684 9.876 3.549 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.726 11.248 2.873 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.441 9.906 4.869 1.00 0.00 C ATOM 914 CD1 ILE A 58 21.127 11.727 2.563 1.00 0.00 C ATOM 0 H ILE A 58 18.658 9.223 1.350 1.00 0.00 H new ATOM 0 HA ILE A 58 21.309 9.061 2.386 1.00 0.00 H new ATOM 0 HB ILE A 58 18.643 9.625 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.152 11.205 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 58 19.236 11.977 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.012 10.670 5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.365 8.933 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.490 10.137 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.080 12.705 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.699 11.802 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.614 11.019 1.892 1.00 0.00 H new ATOM 926 N SER A 59 19.064 6.837 3.359 1.00 0.00 N ATOM 927 CA SER A 59 18.897 5.542 4.009 1.00 0.00 C ATOM 928 C SER A 59 19.821 4.499 3.389 1.00 0.00 C ATOM 929 O SER A 59 20.309 3.602 4.076 1.00 0.00 O ATOM 930 CB SER A 59 17.443 5.079 3.903 1.00 0.00 C ATOM 931 OG SER A 59 16.588 5.900 4.680 1.00 0.00 O ATOM 0 H SER A 59 18.212 7.213 2.942 1.00 0.00 H new ATOM 0 HA SER A 59 19.160 5.655 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.126 5.102 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.362 4.045 4.238 1.00 0.00 H new ATOM 0 HG SER A 59 16.329 6.689 4.159 1.00 0.00 H new ATOM 937 N GLN A 60 20.057 4.625 2.087 1.00 0.00 N ATOM 938 CA GLN A 60 20.922 3.693 1.374 1.00 0.00 C ATOM 939 C GLN A 60 22.378 3.877 1.787 1.00 0.00 C ATOM 940 O GLN A 60 23.093 2.905 2.028 1.00 0.00 O ATOM 941 CB GLN A 60 20.780 3.886 -0.137 1.00 0.00 C ATOM 942 CG GLN A 60 21.679 2.974 -0.954 1.00 0.00 C ATOM 943 CD GLN A 60 21.280 1.515 -0.850 1.00 0.00 C ATOM 944 OE1 GLN A 60 20.354 1.063 -1.524 1.00 0.00 O ATOM 945 NE2 GLN A 60 21.979 0.769 -0.002 1.00 0.00 N ATOM 0 H GLN A 60 19.661 5.363 1.505 1.00 0.00 H new ATOM 0 HA GLN A 60 20.615 2.680 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.743 3.709 -0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.007 4.923 -0.385 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.648 3.281 -1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.709 3.090 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.739 1.185 0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.756 -0.220 0.110 1.00 0.00 H new ATOM 954 N ALA A 61 22.811 5.131 1.867 1.00 0.00 N ATOM 955 CA ALA A 61 24.182 5.443 2.253 1.00 0.00 C ATOM 956 C ALA A 61 24.417 5.150 3.731 1.00 0.00 C ATOM 957 O ALA A 61 25.492 4.694 4.122 1.00 0.00 O ATOM 958 CB ALA A 61 24.499 6.898 1.944 1.00 0.00 C ATOM 0 H ALA A 61 22.232 5.947 1.670 1.00 0.00 H new ATOM 0 HA ALA A 61 24.850 4.806 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.526 7.117 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.381 7.077 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.818 7.544 2.498 1.00 0.00 H new ATOM 964 N LYS A 62 23.404 5.415 4.550 1.00 0.00 N ATOM 965 CA LYS A 62 23.499 5.180 5.986 1.00 0.00 C ATOM 966 C LYS A 62 23.469 3.686 6.295 1.00 0.00 C ATOM 967 O LYS A 62 24.244 3.197 7.119 1.00 0.00 O ATOM 968 CB LYS A 62 22.354 5.885 6.715 1.00 0.00 C ATOM 969 CG LYS A 62 22.813 6.747 7.879 1.00 0.00 C ATOM 970 CD LYS A 62 21.710 7.677 8.354 1.00 0.00 C ATOM 971 CE LYS A 62 21.002 7.120 9.580 1.00 0.00 C ATOM 972 NZ LYS A 62 21.849 7.217 10.801 1.00 0.00 N ATOM 0 H LYS A 62 22.508 5.793 4.243 1.00 0.00 H new ATOM 0 HA LYS A 62 24.448 5.587 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.811 6.508 6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 62 21.653 5.136 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.131 6.108 8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.681 7.334 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 62 22.132 8.654 8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.988 7.826 7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.071 7.663 9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.737 6.078 9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.262 7.054 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.602 6.501 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.275 8.164 10.853 1.00 0.00 H new ATOM 986 N LEU A 63 22.573 2.966 5.630 1.00 0.00 N ATOM 987 CA LEU A 63 22.444 1.527 5.833 1.00 0.00 C ATOM 988 C LEU A 63 23.762 0.816 5.544 1.00 0.00 C ATOM 989 O LEU A 63 24.243 0.024 6.356 1.00 0.00 O ATOM 990 CB LEU A 63 21.340 0.963 4.938 1.00 0.00 C ATOM 991 CG LEU A 63 21.335 -0.555 4.754 1.00 0.00 C ATOM 992 CD1 LEU A 63 21.356 -1.256 6.104 1.00 0.00 C ATOM 993 CD2 LEU A 63 20.122 -0.990 3.944 1.00 0.00 C ATOM 0 H LEU A 63 21.925 3.355 4.945 1.00 0.00 H new ATOM 0 HA LEU A 63 22.181 1.354 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.377 1.262 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 63 21.423 1.428 3.956 1.00 0.00 H new ATOM 0 HG LEU A 63 22.234 -0.839 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 63 21.352 -2.336 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 63 22.255 -0.969 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.476 -0.967 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 63 20.135 -2.073 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 63 19.211 -0.694 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 63 20.150 -0.515 2.963 1.00 0.00 H new ATOM 1005 N LEU A 64 24.342 1.106 4.385 1.00 0.00 N ATOM 1006 CA LEU A 64 25.607 0.496 3.989 1.00 0.00 C ATOM 1007 C LEU A 64 26.752 1.002 4.861 1.00 0.00 C ATOM 1008 O LEU A 64 27.668 0.252 5.199 1.00 0.00 O ATOM 1009 CB LEU A 64 25.901 0.793 2.518 1.00 0.00 C ATOM 1010 CG LEU A 64 26.476 2.177 2.214 1.00 0.00 C ATOM 1011 CD1 LEU A 64 27.994 2.153 2.294 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.019 2.655 0.844 1.00 0.00 C ATOM 0 H LEU A 64 23.957 1.759 3.703 1.00 0.00 H new ATOM 0 HA LEU A 64 25.520 -0.582 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.600 0.042 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 64 24.977 0.673 1.952 1.00 0.00 H new ATOM 0 HG LEU A 64 26.105 2.877 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.386 3.146 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.301 1.855 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 64 28.385 1.440 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 64 26.438 3.641 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.361 1.955 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 64 24.931 2.712 0.823 1.00 0.00 H new ATOM 1024 N LEU A 65 26.693 2.279 5.222 1.00 0.00 N ATOM 1025 CA LEU A 65 27.724 2.887 6.056 1.00 0.00 C ATOM 1026 C LEU A 65 27.827 2.174 7.401 1.00 0.00 C ATOM 1027 O LEU A 65 28.893 2.135 8.015 1.00 0.00 O ATOM 1028 CB LEU A 65 27.423 4.371 6.274 1.00 0.00 C ATOM 1029 CG LEU A 65 28.059 5.338 5.275 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.306 6.659 5.258 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.526 5.564 5.611 1.00 0.00 C ATOM 0 H LEU A 65 25.942 2.914 4.950 1.00 0.00 H new ATOM 0 HA LEU A 65 28.679 2.789 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.342 4.510 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 65 27.754 4.645 7.276 1.00 0.00 H new ATOM 0 HG LEU A 65 27.998 4.895 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.773 7.335 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.270 6.483 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.335 7.107 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 65 29.962 6.255 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 65 29.609 5.985 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.059 4.614 5.572 1.00 0.00 H new ATOM 1043 N SER A 66 26.711 1.610 7.852 1.00 0.00 N ATOM 1044 CA SER A 66 26.674 0.899 9.125 1.00 0.00 C ATOM 1045 C SER A 66 27.421 -0.427 9.029 1.00 0.00 C ATOM 1046 O SER A 66 27.920 -0.947 10.027 1.00 0.00 O ATOM 1047 CB SER A 66 25.226 0.653 9.554 1.00 0.00 C ATOM 1048 OG SER A 66 24.587 1.865 9.912 1.00 0.00 O ATOM 0 H SER A 66 25.821 1.632 7.355 1.00 0.00 H new ATOM 0 HA SER A 66 27.167 1.519 9.874 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.679 0.176 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.206 -0.036 10.399 1.00 0.00 H new ATOM 0 HG SER A 66 24.389 2.382 9.103 1.00 0.00 H new ATOM 1054 N THR A 67 27.495 -0.971 7.818 1.00 0.00 N ATOM 1055 CA THR A 67 28.180 -2.237 7.589 1.00 0.00 C ATOM 1056 C THR A 67 29.463 -2.032 6.791 1.00 0.00 C ATOM 1057 O THR A 67 30.126 -2.995 6.404 1.00 0.00 O ATOM 1058 CB THR A 67 27.278 -3.236 6.840 1.00 0.00 C ATOM 1059 OG1 THR A 67 27.987 -4.459 6.609 1.00 0.00 O ATOM 1060 CG2 THR A 67 26.811 -2.656 5.514 1.00 0.00 C ATOM 0 H THR A 67 27.089 -0.554 6.980 1.00 0.00 H new ATOM 0 HA THR A 67 28.426 -2.645 8.569 1.00 0.00 H new ATOM 0 HB THR A 67 26.403 -3.435 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 67 28.860 -4.261 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.176 -3.380 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.246 -1.742 5.696 1.00 0.00 H new ATOM 0 HG23 THR A 67 27.676 -2.430 4.891 1.00 0.00 H new ATOM 1068 N THR A 68 29.808 -0.772 6.548 1.00 0.00 N ATOM 1069 CA THR A 68 31.012 -0.440 5.796 1.00 0.00 C ATOM 1070 C THR A 68 31.812 0.655 6.493 1.00 0.00 C ATOM 1071 O THR A 68 31.282 1.387 7.328 1.00 0.00 O ATOM 1072 CB THR A 68 30.672 0.019 4.366 1.00 0.00 C ATOM 1073 OG1 THR A 68 29.969 1.266 4.406 1.00 0.00 O ATOM 1074 CG2 THR A 68 29.826 -1.023 3.649 1.00 0.00 C ATOM 0 H THR A 68 29.270 0.036 6.861 1.00 0.00 H new ATOM 0 HA THR A 68 31.613 -1.348 5.745 1.00 0.00 H new ATOM 0 HB THR A 68 31.605 0.146 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.213 1.195 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 68 29.599 -0.676 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.376 -1.963 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 68 28.897 -1.178 4.198 1.00 0.00 H new ATOM 1082 N ARG A 69 33.089 0.761 6.143 1.00 0.00 N ATOM 1083 CA ARG A 69 33.962 1.767 6.736 1.00 0.00 C ATOM 1084 C ARG A 69 34.562 2.668 5.661 1.00 0.00 C ATOM 1085 O ARG A 69 35.561 3.348 5.894 1.00 0.00 O ATOM 1086 CB ARG A 69 35.080 1.095 7.536 1.00 0.00 C ATOM 1087 CG ARG A 69 35.735 -0.068 6.809 1.00 0.00 C ATOM 1088 CD ARG A 69 35.388 -1.398 7.459 1.00 0.00 C ATOM 1089 NE ARG A 69 35.976 -2.527 6.744 1.00 0.00 N ATOM 1090 CZ ARG A 69 35.445 -3.060 5.648 1.00 0.00 C ATOM 1091 NH1 ARG A 69 34.322 -2.567 5.145 1.00 0.00 N ATOM 1092 NH2 ARG A 69 36.040 -4.087 5.054 1.00 0.00 N ATOM 0 H ARG A 69 33.542 0.163 5.452 1.00 0.00 H new ATOM 0 HA ARG A 69 33.363 2.382 7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 69 35.841 1.838 7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 69 34.674 0.738 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 69 35.413 -0.076 5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 69 36.817 0.066 6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.740 -1.400 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 69 34.305 -1.514 7.491 1.00 0.00 H new ATOM 0 HE ARG A 69 36.841 -2.929 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 69 33.863 -1.777 5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 69 33.916 -2.978 4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 69 36.905 -4.467 5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 69 35.632 -4.496 4.213 1.00 0.00 H new ATOM 1106 N MET A 70 33.946 2.666 4.484 1.00 0.00 N ATOM 1107 CA MET A 70 34.419 3.484 3.373 1.00 0.00 C ATOM 1108 C MET A 70 34.206 4.967 3.660 1.00 0.00 C ATOM 1109 O MET A 70 33.315 5.356 4.415 1.00 0.00 O ATOM 1110 CB MET A 70 33.698 3.095 2.081 1.00 0.00 C ATOM 1111 CG MET A 70 33.729 1.602 1.794 1.00 0.00 C ATOM 1112 SD MET A 70 32.796 1.159 0.316 1.00 0.00 S ATOM 1113 CE MET A 70 31.117 1.408 0.888 1.00 0.00 C ATOM 0 H MET A 70 33.119 2.108 4.275 1.00 0.00 H new ATOM 0 HA MET A 70 35.487 3.305 3.253 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.660 3.424 2.140 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.154 3.627 1.246 1.00 0.00 H new ATOM 0 HG2 MET A 70 34.764 1.280 1.676 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.323 1.063 2.650 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.506 0.550 0.608 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.114 1.516 1.973 1.00 0.00 H new ATOM 0 HE3 MET A 70 30.707 2.310 0.432 1.00 0.00 H new ATOM 1123 N PRO A 71 35.042 5.816 3.045 1.00 0.00 N ATOM 1124 CA PRO A 71 34.965 7.270 3.220 1.00 0.00 C ATOM 1125 C PRO A 71 33.723 7.867 2.567 1.00 0.00 C ATOM 1126 O PRO A 71 33.138 7.270 1.663 1.00 0.00 O ATOM 1127 CB PRO A 71 36.231 7.779 2.526 1.00 0.00 C ATOM 1128 CG PRO A 71 36.561 6.728 1.522 1.00 0.00 C ATOM 1129 CD PRO A 71 36.128 5.423 2.132 1.00 0.00 C ATOM 0 HA PRO A 71 34.897 7.551 4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.060 8.743 2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.045 7.916 3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.042 6.910 0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.628 6.721 1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.781 4.721 1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 71 36.946 4.938 2.665 1.00 0.00 H new ATOM 1137 N ILE A 72 33.325 9.047 3.032 1.00 0.00 N ATOM 1138 CA ILE A 72 32.153 9.724 2.491 1.00 0.00 C ATOM 1139 C ILE A 72 32.230 9.828 0.972 1.00 0.00 C ATOM 1140 O ILE A 72 31.216 9.737 0.281 1.00 0.00 O ATOM 1141 CB ILE A 72 31.996 11.137 3.084 1.00 0.00 C ATOM 1142 CG1 ILE A 72 31.886 11.065 4.608 1.00 0.00 C ATOM 1143 CG2 ILE A 72 30.777 11.828 2.491 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.676 12.138 5.323 1.00 0.00 C ATOM 0 H ILE A 72 33.797 9.553 3.781 1.00 0.00 H new ATOM 0 HA ILE A 72 31.286 9.124 2.768 1.00 0.00 H new ATOM 0 HB ILE A 72 32.880 11.722 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 72 30.837 11.147 4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 72 32.231 10.087 4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.680 12.825 2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.894 11.908 1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 72 29.883 11.247 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.551 12.025 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.732 12.043 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 72 32.316 13.120 5.017 1.00 0.00 H new ATOM 1156 N ALA A 73 33.441 10.017 0.458 1.00 0.00 N ATOM 1157 CA ALA A 73 33.651 10.130 -0.980 1.00 0.00 C ATOM 1158 C ALA A 73 33.181 8.872 -1.704 1.00 0.00 C ATOM 1159 O ALA A 73 32.477 8.949 -2.711 1.00 0.00 O ATOM 1160 CB ALA A 73 35.119 10.396 -1.280 1.00 0.00 C ATOM 0 H ALA A 73 34.291 10.095 1.016 1.00 0.00 H new ATOM 0 HA ALA A 73 33.059 10.970 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.261 10.478 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.425 11.326 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.724 9.574 -0.896 1.00 0.00 H new ATOM 1166 N THR A 74 33.577 7.714 -1.185 1.00 0.00 N ATOM 1167 CA THR A 74 33.197 6.440 -1.782 1.00 0.00 C ATOM 1168 C THR A 74 31.697 6.201 -1.662 1.00 0.00 C ATOM 1169 O THR A 74 31.032 5.860 -2.641 1.00 0.00 O ATOM 1170 CB THR A 74 33.946 5.265 -1.124 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.360 5.440 -1.274 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.525 3.941 -1.742 1.00 0.00 C ATOM 0 H THR A 74 34.161 7.632 -0.353 1.00 0.00 H new ATOM 0 HA THR A 74 33.471 6.492 -2.836 1.00 0.00 H new ATOM 0 HB THR A 74 33.693 5.249 -0.064 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.829 4.690 -0.852 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.067 3.126 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.454 3.798 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.752 3.949 -2.808 1.00 0.00 H new ATOM 1180 N VAL A 75 31.167 6.384 -0.457 1.00 0.00 N ATOM 1181 CA VAL A 75 29.743 6.191 -0.210 1.00 0.00 C ATOM 1182 C VAL A 75 28.902 7.092 -1.106 1.00 0.00 C ATOM 1183 O VAL A 75 27.864 6.679 -1.621 1.00 0.00 O ATOM 1184 CB VAL A 75 29.386 6.472 1.262 1.00 0.00 C ATOM 1185 CG1 VAL A 75 27.924 6.145 1.528 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.295 5.681 2.191 1.00 0.00 C ATOM 0 H VAL A 75 31.703 6.666 0.364 1.00 0.00 H new ATOM 0 HA VAL A 75 29.521 5.148 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 75 29.538 7.533 1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 75 27.690 6.350 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.291 6.759 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 75 27.742 5.092 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.029 5.892 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.177 4.615 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.332 5.969 2.017 1.00 0.00 H new ATOM 1196 N GLY A 76 29.359 8.327 -1.290 1.00 0.00 N ATOM 1197 CA GLY A 76 28.637 9.269 -2.126 1.00 0.00 C ATOM 1198 C GLY A 76 28.401 8.739 -3.526 1.00 0.00 C ATOM 1199 O GLY A 76 27.388 9.050 -4.153 1.00 0.00 O ATOM 0 H GLY A 76 30.216 8.692 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.678 9.501 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.197 10.202 -2.184 1.00 0.00 H new ATOM 1203 N ARG A 77 29.340 7.937 -4.020 1.00 0.00 N ATOM 1204 CA ARG A 77 29.230 7.365 -5.356 1.00 0.00 C ATOM 1205 C ARG A 77 28.052 6.399 -5.440 1.00 0.00 C ATOM 1206 O ARG A 77 27.406 6.281 -6.480 1.00 0.00 O ATOM 1207 CB ARG A 77 30.524 6.641 -5.731 1.00 0.00 C ATOM 1208 CG ARG A 77 31.057 7.018 -7.104 1.00 0.00 C ATOM 1209 CD ARG A 77 31.838 5.874 -7.732 1.00 0.00 C ATOM 1210 NE ARG A 77 31.797 5.920 -9.192 1.00 0.00 N ATOM 1211 CZ ARG A 77 32.551 5.155 -9.972 1.00 0.00 C ATOM 1212 NH1 ARG A 77 33.400 4.289 -9.437 1.00 0.00 N ATOM 1213 NH2 ARG A 77 32.457 5.255 -11.292 1.00 0.00 N ATOM 0 H ARG A 77 30.185 7.669 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 77 29.059 8.180 -6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.284 6.862 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.350 5.565 -5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.227 7.294 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.699 7.894 -7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 77 32.874 5.916 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 77 31.429 4.924 -7.388 1.00 0.00 H new ATOM 0 HE ARG A 77 31.154 6.576 -9.636 1.00 0.00 H new ATOM 0 HH11 ARG A 77 33.475 4.209 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 77 33.978 3.703 -10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 77 31.805 5.920 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 77 33.037 4.667 -11.891 1.00 0.00 H new ATOM 1227 N ASN A 78 27.778 5.711 -4.336 1.00 0.00 N ATOM 1228 CA ASN A 78 26.679 4.755 -4.285 1.00 0.00 C ATOM 1229 C ASN A 78 25.335 5.463 -4.427 1.00 0.00 C ATOM 1230 O ASN A 78 24.381 4.904 -4.969 1.00 0.00 O ATOM 1231 CB ASN A 78 26.718 3.971 -2.971 1.00 0.00 C ATOM 1232 CG ASN A 78 27.686 2.805 -3.023 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.474 1.839 -3.755 1.00 0.00 O ATOM 1234 ND2 ASN A 78 28.757 2.890 -2.242 1.00 0.00 N ATOM 0 H ASN A 78 28.302 5.798 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 78 26.795 4.062 -5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.003 4.641 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 78 25.719 3.600 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.443 2.135 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 78 28.893 3.710 -1.651 1.00 0.00 H new ATOM 1241 N VAL A 79 25.268 6.697 -3.938 1.00 0.00 N ATOM 1242 CA VAL A 79 24.042 7.483 -4.012 1.00 0.00 C ATOM 1243 C VAL A 79 24.016 8.343 -5.270 1.00 0.00 C ATOM 1244 O VAL A 79 23.172 9.227 -5.414 1.00 0.00 O ATOM 1245 CB VAL A 79 23.883 8.392 -2.779 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.582 7.563 -1.539 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.131 9.237 -2.576 1.00 0.00 C ATOM 0 H VAL A 79 26.048 7.174 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 79 23.214 6.775 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 79 23.042 9.063 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.473 8.223 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.657 7.006 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.400 6.865 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 79 25.001 9.873 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.992 8.585 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.296 9.859 -3.456 1.00 0.00 H new ATOM 1257 N GLY A 80 24.947 8.077 -6.182 1.00 0.00 N ATOM 1258 CA GLY A 80 25.013 8.836 -7.417 1.00 0.00 C ATOM 1259 C GLY A 80 25.616 10.212 -7.221 1.00 0.00 C ATOM 1260 O GLY A 80 25.686 11.007 -8.159 1.00 0.00 O ATOM 0 H GLY A 80 25.656 7.350 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.605 8.284 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.010 8.938 -7.831 1.00 0.00 H new ATOM 1264 N PHE A 81 26.053 10.497 -5.999 1.00 0.00 N ATOM 1265 CA PHE A 81 26.651 11.788 -5.682 1.00 0.00 C ATOM 1266 C PHE A 81 28.172 11.724 -5.788 1.00 0.00 C ATOM 1267 O PHE A 81 28.826 10.992 -5.045 1.00 0.00 O ATOM 1268 CB PHE A 81 26.245 12.230 -4.274 1.00 0.00 C ATOM 1269 CG PHE A 81 24.775 12.500 -4.131 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.047 13.024 -5.188 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.120 12.230 -2.940 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.693 13.273 -5.060 1.00 0.00 C ATOM 1273 CE2 PHE A 81 22.767 12.477 -2.806 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.053 13.000 -3.867 1.00 0.00 C ATOM 0 H PHE A 81 26.004 9.851 -5.212 1.00 0.00 H new ATOM 0 HA PHE A 81 26.284 12.517 -6.404 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.535 11.458 -3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 81 26.799 13.131 -4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.543 13.240 -6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 81 24.673 11.822 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.137 13.680 -5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.268 12.261 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.996 13.195 -3.764 1.00 0.00 H new ATOM 1284 N ASP A 82 28.726 12.494 -6.718 1.00 0.00 N ATOM 1285 CA ASP A 82 30.170 12.526 -6.922 1.00 0.00 C ATOM 1286 C ASP A 82 30.831 13.522 -5.974 1.00 0.00 C ATOM 1287 O ASP A 82 32.003 13.378 -5.625 1.00 0.00 O ATOM 1288 CB ASP A 82 30.493 12.892 -8.372 1.00 0.00 C ATOM 1289 CG ASP A 82 30.455 14.388 -8.614 1.00 0.00 C ATOM 1290 OD1 ASP A 82 29.463 15.030 -8.209 1.00 0.00 O ATOM 1291 OD2 ASP A 82 31.417 14.917 -9.208 1.00 0.00 O ATOM 0 H ASP A 82 28.198 13.104 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 82 30.565 11.532 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 82 31.481 12.510 -8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 82 29.780 12.401 -9.035 1.00 0.00 H new ATOM 1296 N ASP A 83 30.073 14.532 -5.562 1.00 0.00 N ATOM 1297 CA ASP A 83 30.585 15.552 -4.655 1.00 0.00 C ATOM 1298 C ASP A 83 30.412 15.122 -3.201 1.00 0.00 C ATOM 1299 O ASP A 83 29.293 14.908 -2.737 1.00 0.00 O ATOM 1300 CB ASP A 83 29.870 16.883 -4.894 1.00 0.00 C ATOM 1301 CG ASP A 83 30.342 17.971 -3.949 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.560 18.037 -3.680 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.493 18.757 -3.479 1.00 0.00 O ATOM 0 H ASP A 83 29.101 14.666 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 83 31.649 15.679 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 83 30.036 17.202 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 83 28.796 16.742 -4.774 1.00 0.00 H new ATOM 1308 N GLN A 84 31.528 14.997 -2.490 1.00 0.00 N ATOM 1309 CA GLN A 84 31.500 14.590 -1.090 1.00 0.00 C ATOM 1310 C GLN A 84 30.748 15.611 -0.242 1.00 0.00 C ATOM 1311 O GLN A 84 30.019 15.249 0.683 1.00 0.00 O ATOM 1312 CB GLN A 84 32.923 14.418 -0.558 1.00 0.00 C ATOM 1313 CG GLN A 84 32.992 14.245 0.951 1.00 0.00 C ATOM 1314 CD GLN A 84 34.257 13.540 1.400 1.00 0.00 C ATOM 1315 OE1 GLN A 84 34.850 12.765 0.649 1.00 0.00 O ATOM 1316 NE2 GLN A 84 34.677 13.805 2.632 1.00 0.00 N ATOM 0 H GLN A 84 32.462 15.172 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 84 30.978 13.635 -1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.378 13.551 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.516 15.287 -0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 84 32.937 15.224 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 84 32.125 13.677 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.155 14.454 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 84 35.522 13.359 2.990 1.00 0.00 H new ATOM 1325 N LEU A 85 30.929 16.887 -0.562 1.00 0.00 N ATOM 1326 CA LEU A 85 30.268 17.961 0.171 1.00 0.00 C ATOM 1327 C LEU A 85 28.761 17.934 -0.065 1.00 0.00 C ATOM 1328 O LEU A 85 27.977 18.276 0.820 1.00 0.00 O ATOM 1329 CB LEU A 85 30.836 19.318 -0.250 1.00 0.00 C ATOM 1330 CG LEU A 85 32.056 19.806 0.533 1.00 0.00 C ATOM 1331 CD1 LEU A 85 31.699 20.029 1.994 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.202 18.812 0.408 1.00 0.00 C ATOM 0 H LEU A 85 31.528 17.204 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 85 30.454 17.809 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.103 19.266 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.047 20.064 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 85 32.378 20.758 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.579 20.376 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 85 30.911 20.778 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 85 31.351 19.093 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.062 19.175 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.890 17.846 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.476 18.702 -0.641 1.00 0.00 H new ATOM 1344 N TYR A 86 28.362 17.522 -1.264 1.00 0.00 N ATOM 1345 CA TYR A 86 26.950 17.450 -1.617 1.00 0.00 C ATOM 1346 C TYR A 86 26.214 16.459 -0.719 1.00 0.00 C ATOM 1347 O TYR A 86 25.155 16.767 -0.173 1.00 0.00 O ATOM 1348 CB TYR A 86 26.788 17.044 -3.083 1.00 0.00 C ATOM 1349 CG TYR A 86 25.366 17.145 -3.586 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.414 16.198 -3.228 1.00 0.00 C ATOM 1351 CD2 TYR A 86 24.974 18.185 -4.419 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.113 16.285 -3.686 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.676 18.281 -4.880 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.749 17.328 -4.511 1.00 0.00 C ATOM 1355 OH TYR A 86 21.455 17.419 -4.970 1.00 0.00 O ATOM 0 H TYR A 86 28.998 17.233 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 86 26.515 18.439 -1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.428 17.676 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.137 16.019 -3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.696 15.380 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.697 18.932 -4.711 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.385 15.540 -3.399 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.388 19.097 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 86 21.365 18.212 -5.539 1.00 0.00 H new ATOM 1365 N PHE A 87 26.785 15.268 -0.572 1.00 0.00 N ATOM 1366 CA PHE A 87 26.185 14.231 0.259 1.00 0.00 C ATOM 1367 C PHE A 87 26.196 14.637 1.730 1.00 0.00 C ATOM 1368 O PHE A 87 25.208 14.459 2.442 1.00 0.00 O ATOM 1369 CB PHE A 87 26.931 12.908 0.078 1.00 0.00 C ATOM 1370 CG PHE A 87 26.512 11.845 1.053 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.381 11.079 0.820 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.250 11.611 2.202 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.993 10.100 1.715 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.867 10.633 3.101 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.736 9.877 2.857 1.00 0.00 C ATOM 0 H PHE A 87 27.662 14.997 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 87 25.149 14.103 -0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.768 12.544 -0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.001 13.086 0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.796 11.249 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.134 12.199 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 87 24.109 9.510 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.451 10.460 3.993 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.434 9.113 3.558 1.00 0.00 H new ATOM 1385 N SER A 88 27.322 15.184 2.178 1.00 0.00 N ATOM 1386 CA SER A 88 27.465 15.612 3.564 1.00 0.00 C ATOM 1387 C SER A 88 26.508 16.758 3.880 1.00 0.00 C ATOM 1388 O SER A 88 25.953 16.833 4.976 1.00 0.00 O ATOM 1389 CB SER A 88 28.906 16.044 3.841 1.00 0.00 C ATOM 1390 OG SER A 88 29.143 17.360 3.371 1.00 0.00 O ATOM 0 H SER A 88 28.148 15.341 1.601 1.00 0.00 H new ATOM 0 HA SER A 88 27.217 14.767 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.104 15.996 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.596 15.352 3.358 1.00 0.00 H new ATOM 0 HG SER A 88 28.751 17.464 2.479 1.00 0.00 H new ATOM 1396 N ARG A 89 26.322 17.649 2.912 1.00 0.00 N ATOM 1397 CA ARG A 89 25.434 18.792 3.086 1.00 0.00 C ATOM 1398 C ARG A 89 23.996 18.335 3.313 1.00 0.00 C ATOM 1399 O ARG A 89 23.338 18.768 4.258 1.00 0.00 O ATOM 1400 CB ARG A 89 25.502 19.708 1.863 1.00 0.00 C ATOM 1401 CG ARG A 89 26.649 20.705 1.911 1.00 0.00 C ATOM 1402 CD ARG A 89 26.925 21.304 0.541 1.00 0.00 C ATOM 1403 NE ARG A 89 28.244 21.926 0.471 1.00 0.00 N ATOM 1404 CZ ARG A 89 28.797 22.352 -0.659 1.00 0.00 C ATOM 1405 NH1 ARG A 89 28.148 22.224 -1.808 1.00 0.00 N ATOM 1406 NH2 ARG A 89 30.002 22.908 -0.641 1.00 0.00 N ATOM 0 H ARG A 89 26.774 17.601 1.999 1.00 0.00 H new ATOM 0 HA ARG A 89 25.764 19.345 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.601 19.096 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.562 20.253 1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.411 21.501 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.547 20.210 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 89 26.851 20.524 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.161 22.047 0.310 1.00 0.00 H new ATOM 0 HE ARG A 89 28.770 22.040 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 89 27.222 21.798 -1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 89 28.575 22.552 -2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 89 30.504 23.008 0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 89 30.426 23.235 -1.509 1.00 0.00 H new ATOM 1420 N VAL A 90 23.515 17.456 2.439 1.00 0.00 N ATOM 1421 CA VAL A 90 22.156 16.939 2.544 1.00 0.00 C ATOM 1422 C VAL A 90 22.013 16.009 3.743 1.00 0.00 C ATOM 1423 O VAL A 90 21.056 16.110 4.511 1.00 0.00 O ATOM 1424 CB VAL A 90 21.744 16.181 1.268 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.335 15.626 1.409 1.00 0.00 C ATOM 1426 CG2 VAL A 90 21.849 17.089 0.052 1.00 0.00 C ATOM 0 H VAL A 90 24.047 17.087 1.650 1.00 0.00 H new ATOM 0 HA VAL A 90 21.499 17.799 2.675 1.00 0.00 H new ATOM 0 HB VAL A 90 22.427 15.343 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.061 15.094 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.297 14.940 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.636 16.446 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.554 16.537 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.191 17.948 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 90 22.877 17.433 -0.057 1.00 0.00 H new ATOM 1436 N PHE A 91 22.972 15.102 3.900 1.00 0.00 N ATOM 1437 CA PHE A 91 22.954 14.153 5.006 1.00 0.00 C ATOM 1438 C PHE A 91 23.011 14.878 6.347 1.00 0.00 C ATOM 1439 O PHE A 91 22.387 14.458 7.322 1.00 0.00 O ATOM 1440 CB PHE A 91 24.128 13.179 4.890 1.00 0.00 C ATOM 1441 CG PHE A 91 24.131 12.114 5.950 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.754 12.333 7.168 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.512 10.895 5.727 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.758 11.356 8.146 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.513 9.914 6.701 1.00 0.00 C ATOM 1446 CZ PHE A 91 24.138 10.145 7.912 1.00 0.00 C ATOM 0 H PHE A 91 23.772 15.005 3.274 1.00 0.00 H new ATOM 0 HA PHE A 91 22.020 13.593 4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 91 24.100 12.704 3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 91 25.061 13.739 4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 91 25.242 13.278 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.023 10.709 4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.246 11.540 9.092 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.026 8.968 6.516 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.141 9.379 8.674 1.00 0.00 H new ATOM 1456 N LYS A 92 23.765 15.972 6.389 1.00 0.00 N ATOM 1457 CA LYS A 92 23.905 16.758 7.609 1.00 0.00 C ATOM 1458 C LYS A 92 22.545 17.234 8.109 1.00 0.00 C ATOM 1459 O LYS A 92 22.230 17.112 9.293 1.00 0.00 O ATOM 1460 CB LYS A 92 24.819 17.961 7.363 1.00 0.00 C ATOM 1461 CG LYS A 92 24.876 18.931 8.530 1.00 0.00 C ATOM 1462 CD LYS A 92 24.035 20.169 8.267 1.00 0.00 C ATOM 1463 CE LYS A 92 24.712 21.425 8.793 1.00 0.00 C ATOM 1464 NZ LYS A 92 26.016 21.676 8.117 1.00 0.00 N ATOM 0 H LYS A 92 24.288 16.334 5.592 1.00 0.00 H new ATOM 0 HA LYS A 92 24.351 16.121 8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.826 17.603 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.475 18.493 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.523 18.435 9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 92 25.910 19.224 8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.860 20.270 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.060 20.055 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.055 22.282 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.872 21.329 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.217 22.696 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.772 21.174 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.970 21.333 7.136 1.00 0.00 H new ATOM 1478 N LYS A 93 21.742 17.776 7.199 1.00 0.00 N ATOM 1479 CA LYS A 93 20.414 18.267 7.547 1.00 0.00 C ATOM 1480 C LYS A 93 19.439 17.111 7.743 1.00 0.00 C ATOM 1481 O LYS A 93 18.444 17.239 8.457 1.00 0.00 O ATOM 1482 CB LYS A 93 19.894 19.207 6.456 1.00 0.00 C ATOM 1483 CG LYS A 93 20.883 20.291 6.065 1.00 0.00 C ATOM 1484 CD LYS A 93 20.287 21.249 5.048 1.00 0.00 C ATOM 1485 CE LYS A 93 19.912 20.532 3.760 1.00 0.00 C ATOM 1486 NZ LYS A 93 18.506 20.041 3.788 1.00 0.00 N ATOM 0 H LYS A 93 21.988 17.886 6.215 1.00 0.00 H new ATOM 0 HA LYS A 93 20.492 18.816 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.643 18.620 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.972 19.675 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.187 20.845 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.782 19.833 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.403 21.726 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.003 22.041 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.044 21.209 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.587 19.691 3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.491 19.020 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.095 20.220 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.949 20.540 3.065 1.00 0.00 H new ATOM 1500 N CYS A 94 19.732 15.982 7.106 1.00 0.00 N ATOM 1501 CA CYS A 94 18.881 14.802 7.211 1.00 0.00 C ATOM 1502 C CYS A 94 18.682 14.403 8.670 1.00 0.00 C ATOM 1503 O CYS A 94 17.556 14.188 9.119 1.00 0.00 O ATOM 1504 CB CYS A 94 19.491 13.637 6.430 1.00 0.00 C ATOM 1505 SG CYS A 94 18.354 12.258 6.155 1.00 0.00 S ATOM 0 H CYS A 94 20.552 15.859 6.512 1.00 0.00 H new ATOM 0 HA CYS A 94 17.908 15.047 6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.841 14.004 5.465 1.00 0.00 H new ATOM 0 HB3 CYS A 94 20.366 13.271 6.968 1.00 0.00 H new ATOM 0 HG CYS A 94 17.461 12.237 7.100 1.00 0.00 H new ATOM 1511 N THR A 95 19.785 14.305 9.407 1.00 0.00 N ATOM 1512 CA THR A 95 19.732 13.930 10.814 1.00 0.00 C ATOM 1513 C THR A 95 20.102 15.106 11.711 1.00 0.00 C ATOM 1514 O THR A 95 19.959 15.038 12.931 1.00 0.00 O ATOM 1515 CB THR A 95 20.677 12.752 11.116 1.00 0.00 C ATOM 1516 OG1 THR A 95 22.002 13.058 10.667 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.189 11.479 10.441 1.00 0.00 C ATOM 0 H THR A 95 20.725 14.480 9.052 1.00 0.00 H new ATOM 0 HA THR A 95 18.706 13.627 11.022 1.00 0.00 H new ATOM 0 HB THR A 95 20.687 12.592 12.194 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.597 12.304 10.865 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.873 10.661 10.669 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.193 11.232 10.807 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.152 11.631 9.362 1.00 0.00 H new ATOM 1525 N GLY A 96 20.578 16.186 11.098 1.00 0.00 N ATOM 1526 CA GLY A 96 20.960 17.362 11.857 1.00 0.00 C ATOM 1527 C GLY A 96 22.444 17.398 12.161 1.00 0.00 C ATOM 1528 O GLY A 96 22.951 18.384 12.696 1.00 0.00 O ATOM 0 H GLY A 96 20.706 16.267 10.089 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.685 18.257 11.298 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.400 17.385 12.792 1.00 0.00 H new ATOM 1532 N ALA A 97 23.143 16.320 11.823 1.00 0.00 N ATOM 1533 CA ALA A 97 24.578 16.232 12.063 1.00 0.00 C ATOM 1534 C ALA A 97 25.298 15.616 10.869 1.00 0.00 C ATOM 1535 O ALA A 97 24.742 14.775 10.162 1.00 0.00 O ATOM 1536 CB ALA A 97 24.854 15.425 13.323 1.00 0.00 C ATOM 0 H ALA A 97 22.738 15.494 11.382 1.00 0.00 H new ATOM 0 HA ALA A 97 24.961 17.243 12.202 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.930 15.367 13.490 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.380 15.909 14.177 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.451 14.419 13.206 1.00 0.00 H new ATOM 1542 N SER A 98 26.539 16.039 10.648 1.00 0.00 N ATOM 1543 CA SER A 98 27.334 15.532 9.536 1.00 0.00 C ATOM 1544 C SER A 98 27.630 14.046 9.714 1.00 0.00 C ATOM 1545 O SER A 98 27.517 13.491 10.807 1.00 0.00 O ATOM 1546 CB SER A 98 28.643 16.314 9.418 1.00 0.00 C ATOM 1547 OG SER A 98 28.520 17.378 8.490 1.00 0.00 O ATOM 0 H SER A 98 27.016 16.732 11.225 1.00 0.00 H new ATOM 0 HA SER A 98 26.758 15.663 8.620 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.923 16.709 10.394 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.443 15.644 9.104 1.00 0.00 H new ATOM 0 HG SER A 98 29.370 17.863 8.434 1.00 0.00 H new ATOM 1553 N PRO A 99 28.019 13.385 8.614 1.00 0.00 N ATOM 1554 CA PRO A 99 28.341 11.955 8.621 1.00 0.00 C ATOM 1555 C PRO A 99 29.631 11.655 9.377 1.00 0.00 C ATOM 1556 O PRO A 99 29.772 10.596 9.988 1.00 0.00 O ATOM 1557 CB PRO A 99 28.501 11.619 7.136 1.00 0.00 C ATOM 1558 CG PRO A 99 28.880 12.909 6.495 1.00 0.00 C ATOM 1559 CD PRO A 99 28.176 13.983 7.277 1.00 0.00 C ATOM 0 HA PRO A 99 27.573 11.367 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.268 10.860 6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.575 11.226 6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.960 13.054 6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.578 12.928 5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.761 14.902 7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.213 14.236 6.834 1.00 0.00 H new ATOM 1567 N SER A 100 30.571 12.594 9.330 1.00 0.00 N ATOM 1568 CA SER A 100 31.851 12.429 10.008 1.00 0.00 C ATOM 1569 C SER A 100 31.668 12.428 11.523 1.00 0.00 C ATOM 1570 O SER A 100 32.383 11.733 12.244 1.00 0.00 O ATOM 1571 CB SER A 100 32.816 13.544 9.600 1.00 0.00 C ATOM 1572 OG SER A 100 32.457 14.775 10.204 1.00 0.00 O ATOM 0 H SER A 100 30.470 13.477 8.829 1.00 0.00 H new ATOM 0 HA SER A 100 32.270 11.468 9.710 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.831 13.275 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.813 13.653 8.515 1.00 0.00 H new ATOM 0 HG SER A 100 33.090 15.471 9.929 1.00 0.00 H new ATOM 1578 N GLU A 101 30.705 13.212 11.996 1.00 0.00 N ATOM 1579 CA GLU A 101 30.428 13.302 13.425 1.00 0.00 C ATOM 1580 C GLU A 101 29.706 12.052 13.920 1.00 0.00 C ATOM 1581 O GLU A 101 30.080 11.468 14.937 1.00 0.00 O ATOM 1582 CB GLU A 101 29.585 14.543 13.726 1.00 0.00 C ATOM 1583 CG GLU A 101 29.437 14.833 15.211 1.00 0.00 C ATOM 1584 CD GLU A 101 30.472 15.818 15.719 1.00 0.00 C ATOM 1585 OE1 GLU A 101 31.530 15.955 15.069 1.00 0.00 O ATOM 1586 OE2 GLU A 101 30.225 16.452 16.766 1.00 0.00 O ATOM 0 H GLU A 101 30.104 13.793 11.412 1.00 0.00 H new ATOM 0 HA GLU A 101 31.381 13.382 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 101 30.038 15.407 13.239 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.595 14.414 13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.440 15.229 15.402 1.00 0.00 H new ATOM 0 HG3 GLU A 101 29.523 13.901 15.770 1.00 0.00 H new ATOM 1593 N PHE A 102 28.670 11.647 13.193 1.00 0.00 N ATOM 1594 CA PHE A 102 27.895 10.467 13.557 1.00 0.00 C ATOM 1595 C PHE A 102 28.742 9.203 13.444 1.00 0.00 C ATOM 1596 O PHE A 102 28.756 8.370 14.350 1.00 0.00 O ATOM 1597 CB PHE A 102 26.658 10.348 12.664 1.00 0.00 C ATOM 1598 CG PHE A 102 25.688 9.296 13.121 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.883 9.512 14.228 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.581 8.092 12.444 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.989 8.546 14.651 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.689 7.123 12.862 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.893 7.350 13.968 1.00 0.00 C ATOM 0 H PHE A 102 28.348 12.119 12.348 1.00 0.00 H new ATOM 0 HA PHE A 102 27.577 10.578 14.594 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.149 11.311 12.632 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.975 10.121 11.646 1.00 0.00 H new ATOM 0 HD1 PHE A 102 24.955 10.445 14.766 1.00 0.00 H new ATOM 0 HD2 PHE A 102 26.202 7.909 11.580 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.366 8.727 15.515 1.00 0.00 H new ATOM 0 HE2 PHE A 102 24.614 6.189 12.325 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.197 6.593 14.298 1.00 0.00 H new ATOM 1613 N ARG A 103 29.446 9.068 12.325 1.00 0.00 N ATOM 1614 CA ARG A 103 30.294 7.906 12.091 1.00 0.00 C ATOM 1615 C ARG A 103 31.450 7.867 13.087 1.00 0.00 C ATOM 1616 O ARG A 103 31.935 6.796 13.448 1.00 0.00 O ATOM 1617 CB ARG A 103 30.839 7.924 10.662 1.00 0.00 C ATOM 1618 CG ARG A 103 31.285 6.560 10.162 1.00 0.00 C ATOM 1619 CD ARG A 103 32.758 6.316 10.449 1.00 0.00 C ATOM 1620 NE ARG A 103 33.056 4.896 10.616 1.00 0.00 N ATOM 1621 CZ ARG A 103 34.175 4.439 11.166 1.00 0.00 C ATOM 1622 NH1 ARG A 103 35.098 5.287 11.601 1.00 0.00 N ATOM 1623 NH2 ARG A 103 34.373 3.133 11.284 1.00 0.00 N ATOM 0 H ARG A 103 29.446 9.749 11.566 1.00 0.00 H new ATOM 0 HA ARG A 103 29.687 7.011 12.229 1.00 0.00 H new ATOM 0 HB2 ARG A 103 30.070 8.313 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.682 8.613 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 103 30.687 5.783 10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 103 31.105 6.488 9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 103 33.358 6.719 9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 103 33.045 6.855 11.352 1.00 0.00 H new ATOM 0 HE ARG A 103 32.366 4.218 10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 103 34.949 6.292 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 103 35.957 4.934 12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 103 33.665 2.478 10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 103 35.233 2.784 11.707 1.00 0.00 H new ATOM 1637 N ALA A 104 31.885 9.044 13.526 1.00 0.00 N ATOM 1638 CA ALA A 104 32.982 9.144 14.480 1.00 0.00 C ATOM 1639 C ALA A 104 32.641 8.434 15.786 1.00 0.00 C ATOM 1640 O ALA A 104 33.526 7.951 16.490 1.00 0.00 O ATOM 1641 CB ALA A 104 33.320 10.604 14.744 1.00 0.00 C ATOM 0 H ALA A 104 31.494 9.941 13.236 1.00 0.00 H new ATOM 0 HA ALA A 104 33.853 8.653 14.047 1.00 0.00 H new ATOM 0 HB1 ALA A 104 34.141 10.664 15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.615 11.084 13.811 1.00 0.00 H new ATOM 0 HB3 ALA A 104 32.446 11.112 15.152 1.00 0.00 H new ATOM 1647 N GLY A 105 31.351 8.376 16.103 1.00 0.00 N ATOM 1648 CA GLY A 105 30.916 7.724 17.324 1.00 0.00 C ATOM 1649 C GLY A 105 31.037 8.625 18.537 1.00 0.00 C ATOM 1650 O GLY A 105 30.922 8.165 19.674 1.00 0.00 O ATOM 0 H GLY A 105 30.600 8.769 15.536 1.00 0.00 H new ATOM 0 HA2 GLY A 105 29.879 7.406 17.213 1.00 0.00 H new ATOM 0 HA3 GLY A 105 31.510 6.824 17.483 1.00 0.00 H new ATOM 1654 N CYS A 106 31.270 9.910 18.296 1.00 0.00 N ATOM 1655 CA CYS A 106 31.410 10.878 19.379 1.00 0.00 C ATOM 1656 C CYS A 106 30.053 11.455 19.770 1.00 0.00 C ATOM 1657 O CYS A 106 29.332 11.993 18.931 1.00 0.00 O ATOM 1658 CB CYS A 106 32.357 12.005 18.965 1.00 0.00 C ATOM 1659 SG CYS A 106 32.967 13.001 20.345 1.00 0.00 S ATOM 0 H CYS A 106 31.366 10.306 17.361 1.00 0.00 H new ATOM 0 HA CYS A 106 31.828 10.362 20.243 1.00 0.00 H new ATOM 0 HB2 CYS A 106 33.208 11.574 18.438 1.00 0.00 H new ATOM 0 HB3 CYS A 106 31.842 12.657 18.260 1.00 0.00 H new ATOM 0 HG CYS A 106 33.762 13.926 19.895 1.00 0.00 H new ATOM 1665 N GLU A 107 29.712 11.337 21.050 1.00 0.00 N ATOM 1666 CA GLU A 107 28.441 11.846 21.551 1.00 0.00 C ATOM 1667 C GLU A 107 28.645 13.130 22.348 1.00 0.00 C ATOM 1668 O GLU A 107 27.696 13.871 22.604 1.00 0.00 O ATOM 1669 CB GLU A 107 27.754 10.793 22.424 1.00 0.00 C ATOM 1670 CG GLU A 107 27.138 9.653 21.632 1.00 0.00 C ATOM 1671 CD GLU A 107 26.048 8.931 22.400 1.00 0.00 C ATOM 1672 OE1 GLU A 107 25.800 9.300 23.567 1.00 0.00 O ATOM 1673 OE2 GLU A 107 25.443 7.996 21.834 1.00 0.00 O ATOM 0 H GLU A 107 30.298 10.894 21.758 1.00 0.00 H new ATOM 0 HA GLU A 107 27.805 12.069 20.695 1.00 0.00 H new ATOM 0 HB2 GLU A 107 28.481 10.385 23.126 1.00 0.00 H new ATOM 0 HB3 GLU A 107 26.976 11.275 23.015 1.00 0.00 H new ATOM 0 HG2 GLU A 107 26.724 10.044 20.702 1.00 0.00 H new ATOM 0 HG3 GLU A 107 27.918 8.942 21.360 1.00 0.00 H new TER 1680 GLU A 107