USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= 0.0029 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0882 (180deg=0) USER MOD Single : A 2 SER OG : rot -53:sc= 0.369 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 10:sc= 0.0788 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -1.19 F(o=-4.3!,f=-1.2) USER MOD Single : A 22 GLN : amide:sc= -1.67! C(o=-1.7!,f=-1.7!) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.927 F(o=-1.9,f=-0.93) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0043 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.4 F(o=-4!,f=-1.4) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.0903 (180deg=-0.419) USER MOD Single : A 30 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-4.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.139 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 SER OG : rot 180:sc= -0.143 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.206 K(o=0.21,f=-0.39) USER MOD Single : A 49 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.0343 (180deg=-0.361) USER MOD Single : A 59 GLN : amide:sc= -0.0379 K(o=-0.038,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.571) USER MOD Single : A 69 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.32) USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= -0.374 (180deg=-1.65!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0695 F(o=-0.73,f=-0.069) USER MOD Single : A 83 SER OG : rot 22:sc= 0.665! USER MOD Single : A 86 SER OG : rot 44:sc= 0.999 USER MOD Single : A 87 SER OG : rot 180:sc= -0.131 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.361 -23.615 -2.101 1.00 0.00 N ATOM 2 CA GLY A 1 38.703 -23.345 -2.584 1.00 0.00 C ATOM 3 C GLY A 1 39.100 -24.253 -3.731 1.00 0.00 C ATOM 4 O GLY A 1 38.300 -25.067 -4.192 1.00 0.00 O ATOM 0 H1 GLY A 1 36.805 -22.736 -2.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.906 -24.319 -2.716 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.409 -23.984 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 38.767 -22.306 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.412 -23.468 -1.765 1.00 0.00 H new ATOM 8 N SER A 2 40.338 -24.112 -4.193 1.00 0.00 N ATOM 9 CA SER A 2 40.838 -24.923 -5.297 1.00 0.00 C ATOM 10 C SER A 2 39.813 -24.997 -6.425 1.00 0.00 C ATOM 11 O SER A 2 39.593 -26.057 -7.010 1.00 0.00 O ATOM 12 CB SER A 2 41.179 -26.332 -4.809 1.00 0.00 C ATOM 13 OG SER A 2 41.865 -27.066 -5.809 1.00 0.00 O ATOM 0 H SER A 2 41.013 -23.444 -3.820 1.00 0.00 H new ATOM 0 HA SER A 2 41.742 -24.451 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 2 41.795 -26.270 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 40.264 -26.856 -4.532 1.00 0.00 H new ATOM 0 HG SER A 2 41.345 -27.051 -6.640 1.00 0.00 H new ATOM 19 N SER A 3 39.188 -23.862 -6.724 1.00 0.00 N ATOM 20 CA SER A 3 38.183 -23.798 -7.778 1.00 0.00 C ATOM 21 C SER A 3 38.267 -22.472 -8.529 1.00 0.00 C ATOM 22 O SER A 3 39.041 -21.588 -8.165 1.00 0.00 O ATOM 23 CB SER A 3 36.783 -23.976 -7.189 1.00 0.00 C ATOM 24 OG SER A 3 36.497 -22.965 -6.238 1.00 0.00 O ATOM 0 H SER A 3 39.360 -22.975 -6.251 1.00 0.00 H new ATOM 0 HA SER A 3 38.378 -24.607 -8.482 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.043 -23.948 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.705 -24.956 -6.717 1.00 0.00 H new ATOM 0 HG SER A 3 35.596 -23.100 -5.878 1.00 0.00 H new ATOM 30 N GLY A 4 37.461 -22.342 -9.579 1.00 0.00 N ATOM 31 CA GLY A 4 37.459 -21.122 -10.364 1.00 0.00 C ATOM 32 C GLY A 4 36.312 -21.071 -11.354 1.00 0.00 C ATOM 33 O GLY A 4 36.508 -21.265 -12.553 1.00 0.00 O ATOM 0 H GLY A 4 36.810 -23.059 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 4 37.396 -20.264 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 4 38.403 -21.038 -10.902 1.00 0.00 H new ATOM 37 N SER A 5 35.109 -20.813 -10.850 1.00 0.00 N ATOM 38 CA SER A 5 33.924 -20.744 -11.697 1.00 0.00 C ATOM 39 C SER A 5 32.962 -19.669 -11.199 1.00 0.00 C ATOM 40 O SER A 5 33.077 -19.193 -10.070 1.00 0.00 O ATOM 41 CB SER A 5 33.218 -22.100 -11.734 1.00 0.00 C ATOM 42 OG SER A 5 33.892 -23.003 -12.593 1.00 0.00 O ATOM 0 H SER A 5 34.930 -20.648 -9.859 1.00 0.00 H new ATOM 0 HA SER A 5 34.243 -20.482 -12.706 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.171 -22.517 -10.728 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.190 -21.969 -12.073 1.00 0.00 H new ATOM 0 HG SER A 5 34.752 -22.618 -12.863 1.00 0.00 H new ATOM 48 N SER A 6 32.014 -19.292 -12.051 1.00 0.00 N ATOM 49 CA SER A 6 31.033 -18.272 -11.700 1.00 0.00 C ATOM 50 C SER A 6 29.656 -18.628 -12.253 1.00 0.00 C ATOM 51 O SER A 6 29.523 -19.517 -13.092 1.00 0.00 O ATOM 52 CB SER A 6 31.472 -16.907 -12.234 1.00 0.00 C ATOM 53 OG SER A 6 31.210 -16.795 -13.622 1.00 0.00 O ATOM 0 H SER A 6 31.905 -19.678 -12.989 1.00 0.00 H new ATOM 0 HA SER A 6 30.968 -18.226 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.948 -16.117 -11.697 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.537 -16.766 -12.049 1.00 0.00 H new ATOM 0 HG SER A 6 31.498 -15.913 -13.939 1.00 0.00 H new ATOM 59 N GLY A 7 28.633 -17.926 -11.774 1.00 0.00 N ATOM 60 CA GLY A 7 27.280 -18.182 -12.231 1.00 0.00 C ATOM 61 C GLY A 7 26.235 -17.551 -11.332 1.00 0.00 C ATOM 62 O GLY A 7 25.324 -18.228 -10.856 1.00 0.00 O ATOM 0 H GLY A 7 28.718 -17.185 -11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.163 -17.797 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 7 27.113 -19.258 -12.277 1.00 0.00 H new ATOM 66 N LEU A 8 26.368 -16.250 -11.098 1.00 0.00 N ATOM 67 CA LEU A 8 25.428 -15.526 -10.249 1.00 0.00 C ATOM 68 C LEU A 8 25.014 -14.208 -10.895 1.00 0.00 C ATOM 69 O LEU A 8 25.721 -13.205 -10.794 1.00 0.00 O ATOM 70 CB LEU A 8 26.051 -15.261 -8.877 1.00 0.00 C ATOM 71 CG LEU A 8 25.376 -14.180 -8.031 1.00 0.00 C ATOM 72 CD1 LEU A 8 23.947 -14.578 -7.697 1.00 0.00 C ATOM 73 CD2 LEU A 8 26.172 -13.924 -6.759 1.00 0.00 C ATOM 0 H LEU A 8 27.117 -15.675 -11.484 1.00 0.00 H new ATOM 0 HA LEU A 8 24.538 -16.143 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.046 -16.193 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.095 -14.982 -9.022 1.00 0.00 H new ATOM 0 HG LEU A 8 25.348 -13.257 -8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 8 23.483 -13.797 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 8 23.381 -14.710 -8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 8 23.951 -15.513 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 8 25.677 -13.152 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 8 26.232 -14.843 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 8 27.177 -13.593 -7.019 1.00 0.00 H new ATOM 85 N LYS A 9 23.862 -14.216 -11.556 1.00 0.00 N ATOM 86 CA LYS A 9 23.349 -13.021 -12.216 1.00 0.00 C ATOM 87 C LYS A 9 21.954 -13.267 -12.782 1.00 0.00 C ATOM 88 O LYS A 9 21.778 -14.075 -13.694 1.00 0.00 O ATOM 89 CB LYS A 9 24.297 -12.587 -13.337 1.00 0.00 C ATOM 90 CG LYS A 9 24.282 -11.091 -13.601 1.00 0.00 C ATOM 91 CD LYS A 9 25.626 -10.601 -14.111 1.00 0.00 C ATOM 92 CE LYS A 9 26.670 -10.584 -13.005 1.00 0.00 C ATOM 93 NZ LYS A 9 26.696 -9.280 -12.288 1.00 0.00 N ATOM 0 H LYS A 9 23.265 -15.038 -11.649 1.00 0.00 H new ATOM 0 HA LYS A 9 23.285 -12.226 -11.474 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.312 -12.892 -13.082 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.027 -13.112 -14.253 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.508 -10.857 -14.332 1.00 0.00 H new ATOM 0 HG3 LYS A 9 24.025 -10.561 -12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.965 -11.245 -14.923 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.516 -9.598 -14.524 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.461 -11.385 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.653 -10.784 -13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.420 -9.308 -11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.921 -8.519 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.765 -9.100 -11.860 1.00 0.00 H new ATOM 107 N ARG A 10 20.967 -12.565 -12.236 1.00 0.00 N ATOM 108 CA ARG A 10 19.588 -12.708 -12.687 1.00 0.00 C ATOM 109 C ARG A 10 18.886 -11.354 -12.726 1.00 0.00 C ATOM 110 O ARG A 10 19.460 -10.335 -12.344 1.00 0.00 O ATOM 111 CB ARG A 10 18.825 -13.663 -11.767 1.00 0.00 C ATOM 112 CG ARG A 10 19.109 -15.131 -12.043 1.00 0.00 C ATOM 113 CD ARG A 10 18.842 -15.990 -10.816 1.00 0.00 C ATOM 114 NE ARG A 10 19.709 -15.630 -9.697 1.00 0.00 N ATOM 115 CZ ARG A 10 19.811 -16.350 -8.586 1.00 0.00 C ATOM 116 NH1 ARG A 10 19.106 -17.464 -8.446 1.00 0.00 N ATOM 117 NH2 ARG A 10 20.622 -15.957 -7.611 1.00 0.00 N ATOM 0 H ARG A 10 21.096 -11.892 -11.481 1.00 0.00 H new ATOM 0 HA ARG A 10 19.603 -13.120 -13.696 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.083 -13.440 -10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.756 -13.482 -11.875 1.00 0.00 H new ATOM 0 HG2 ARG A 10 18.488 -15.474 -12.871 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.147 -15.250 -12.353 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.800 -15.881 -10.517 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.993 -17.040 -11.068 1.00 0.00 H new ATOM 0 HE ARG A 10 20.266 -14.779 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.483 -17.770 -9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.187 -18.015 -7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.167 -15.101 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 10 20.700 -16.511 -6.758 1.00 0.00 H new ATOM 131 N ASP A 11 17.642 -11.352 -13.192 1.00 0.00 N ATOM 132 CA ASP A 11 16.861 -10.124 -13.282 1.00 0.00 C ATOM 133 C ASP A 11 15.499 -10.296 -12.616 1.00 0.00 C ATOM 134 O ASP A 11 15.108 -11.407 -12.258 1.00 0.00 O ATOM 135 CB ASP A 11 16.679 -9.715 -14.744 1.00 0.00 C ATOM 136 CG ASP A 11 16.421 -10.904 -15.650 1.00 0.00 C ATOM 137 OD1 ASP A 11 15.671 -11.812 -15.236 1.00 0.00 O ATOM 138 OD2 ASP A 11 16.969 -10.925 -16.772 1.00 0.00 O ATOM 0 H ASP A 11 17.153 -12.187 -13.513 1.00 0.00 H new ATOM 0 HA ASP A 11 17.405 -9.338 -12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.847 -9.015 -14.822 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.571 -9.189 -15.085 1.00 0.00 H new ATOM 143 N PHE A 12 14.782 -9.189 -12.452 1.00 0.00 N ATOM 144 CA PHE A 12 13.465 -9.216 -11.827 1.00 0.00 C ATOM 145 C PHE A 12 12.378 -8.855 -12.834 1.00 0.00 C ATOM 146 O PHE A 12 12.668 -8.396 -13.939 1.00 0.00 O ATOM 147 CB PHE A 12 13.419 -8.250 -10.641 1.00 0.00 C ATOM 148 CG PHE A 12 13.281 -6.811 -11.046 1.00 0.00 C ATOM 149 CD1 PHE A 12 14.341 -6.137 -11.632 1.00 0.00 C ATOM 150 CD2 PHE A 12 12.092 -6.130 -10.840 1.00 0.00 C ATOM 151 CE1 PHE A 12 14.218 -4.812 -12.006 1.00 0.00 C ATOM 152 CE2 PHE A 12 11.962 -4.806 -11.213 1.00 0.00 C ATOM 153 CZ PHE A 12 13.027 -4.146 -11.795 1.00 0.00 C ATOM 0 H PHE A 12 15.091 -8.262 -12.743 1.00 0.00 H new ATOM 0 HA PHE A 12 13.282 -10.229 -11.468 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.583 -8.519 -9.995 1.00 0.00 H new ATOM 0 HB3 PHE A 12 14.328 -8.368 -10.051 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.275 -6.654 -11.798 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.257 -6.640 -10.383 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.052 -4.299 -12.462 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.029 -4.288 -11.050 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.928 -3.110 -12.085 1.00 0.00 H new ATOM 163 N ILE A 13 11.125 -9.066 -12.445 1.00 0.00 N ATOM 164 CA ILE A 13 9.994 -8.762 -13.312 1.00 0.00 C ATOM 165 C ILE A 13 8.804 -8.251 -12.507 1.00 0.00 C ATOM 166 O ILE A 13 8.364 -8.896 -11.554 1.00 0.00 O ATOM 167 CB ILE A 13 9.558 -9.998 -14.122 1.00 0.00 C ATOM 168 CG1 ILE A 13 10.756 -10.600 -14.860 1.00 0.00 C ATOM 169 CG2 ILE A 13 8.457 -9.626 -15.104 1.00 0.00 C ATOM 170 CD1 ILE A 13 11.239 -9.756 -16.018 1.00 0.00 C ATOM 0 H ILE A 13 10.868 -9.447 -11.534 1.00 0.00 H new ATOM 0 HA ILE A 13 10.325 -7.984 -14.000 1.00 0.00 H new ATOM 0 HB ILE A 13 9.166 -10.746 -13.433 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.575 -10.737 -14.154 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.485 -11.589 -15.230 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.160 -10.509 -15.669 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.597 -9.239 -14.557 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.824 -8.863 -15.790 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.090 -10.244 -16.494 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.434 -9.640 -16.744 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.542 -8.775 -15.652 1.00 0.00 H new ATOM 182 N ILE A 14 8.289 -7.090 -12.896 1.00 0.00 N ATOM 183 CA ILE A 14 7.148 -6.494 -12.212 1.00 0.00 C ATOM 184 C ILE A 14 6.127 -5.958 -13.209 1.00 0.00 C ATOM 185 O ILE A 14 6.337 -4.915 -13.829 1.00 0.00 O ATOM 186 CB ILE A 14 7.586 -5.350 -11.278 1.00 0.00 C ATOM 187 CG1 ILE A 14 8.346 -5.908 -10.073 1.00 0.00 C ATOM 188 CG2 ILE A 14 6.378 -4.545 -10.823 1.00 0.00 C ATOM 189 CD1 ILE A 14 7.515 -6.830 -9.209 1.00 0.00 C ATOM 0 H ILE A 14 8.643 -6.543 -13.681 1.00 0.00 H new ATOM 0 HA ILE A 14 6.690 -7.284 -11.616 1.00 0.00 H new ATOM 0 HB ILE A 14 8.253 -4.687 -11.829 1.00 0.00 H new ATOM 0 HG12 ILE A 14 9.225 -6.448 -10.426 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.705 -5.078 -9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.704 -3.741 -10.164 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.875 -4.121 -11.692 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.688 -5.196 -10.287 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.118 -7.188 -8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.650 -6.288 -8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.178 -7.679 -9.803 1.00 0.00 H new ATOM 201 N LEU A 15 5.020 -6.677 -13.359 1.00 0.00 N ATOM 202 CA LEU A 15 3.964 -6.274 -14.280 1.00 0.00 C ATOM 203 C LEU A 15 2.728 -7.151 -14.110 1.00 0.00 C ATOM 204 O LEU A 15 2.834 -8.365 -13.939 1.00 0.00 O ATOM 205 CB LEU A 15 4.463 -6.351 -15.724 1.00 0.00 C ATOM 206 CG LEU A 15 3.547 -5.738 -16.784 1.00 0.00 C ATOM 207 CD1 LEU A 15 3.791 -4.241 -16.900 1.00 0.00 C ATOM 208 CD2 LEU A 15 3.756 -6.420 -18.128 1.00 0.00 C ATOM 0 H LEU A 15 4.831 -7.543 -12.854 1.00 0.00 H new ATOM 0 HA LEU A 15 3.690 -5.244 -14.051 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.432 -5.855 -15.779 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.626 -7.399 -15.976 1.00 0.00 H new ATOM 0 HG LEU A 15 2.513 -5.894 -16.477 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.130 -3.822 -17.659 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.590 -3.764 -15.941 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.828 -4.062 -17.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.096 -5.971 -18.870 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.793 -6.296 -18.442 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.529 -7.482 -18.036 1.00 0.00 H new ATOM 220 N GLY A 16 1.554 -6.528 -14.159 1.00 0.00 N ATOM 221 CA GLY A 16 0.314 -7.267 -14.011 1.00 0.00 C ATOM 222 C GLY A 16 -0.832 -6.390 -13.548 1.00 0.00 C ATOM 223 O GLY A 16 -1.094 -6.280 -12.351 1.00 0.00 O ATOM 0 H GLY A 16 1.440 -5.524 -14.299 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.053 -7.727 -14.964 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.460 -8.076 -13.296 1.00 0.00 H new ATOM 227 N ASN A 17 -1.517 -5.763 -14.499 1.00 0.00 N ATOM 228 CA ASN A 17 -2.640 -4.889 -14.182 1.00 0.00 C ATOM 229 C ASN A 17 -3.968 -5.602 -14.420 1.00 0.00 C ATOM 230 O ASN A 17 -4.708 -5.889 -13.479 1.00 0.00 O ATOM 231 CB ASN A 17 -2.575 -3.614 -15.025 1.00 0.00 C ATOM 232 CG ASN A 17 -2.208 -3.894 -16.469 1.00 0.00 C ATOM 233 OD1 ASN A 17 -3.218 -4.037 -17.320 1.00 0.00 O flip ATOM 234 ND2 ASN A 17 -1.030 -3.981 -16.817 1.00 0.00 N flip ATOM 0 H ASN A 17 -1.314 -5.844 -15.495 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.574 -4.623 -13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.540 -3.109 -14.990 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.842 -2.933 -14.592 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.285 -3.864 -16.130 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.799 -4.170 -17.792 1.00 0.00 H new ATOM 241 N GLY A 18 -4.263 -5.886 -15.685 1.00 0.00 N ATOM 242 CA GLY A 18 -5.501 -6.563 -16.023 1.00 0.00 C ATOM 243 C GLY A 18 -6.726 -5.774 -15.607 1.00 0.00 C ATOM 244 O GLY A 18 -6.721 -5.063 -14.602 1.00 0.00 O ATOM 0 H GLY A 18 -3.667 -5.659 -16.481 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.534 -6.738 -17.098 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.521 -7.540 -15.540 1.00 0.00 H new ATOM 248 N PRO A 19 -7.808 -5.895 -16.391 1.00 0.00 N ATOM 249 CA PRO A 19 -9.066 -5.194 -16.119 1.00 0.00 C ATOM 250 C PRO A 19 -9.778 -5.739 -14.886 1.00 0.00 C ATOM 251 O PRO A 19 -10.872 -5.292 -14.541 1.00 0.00 O ATOM 252 CB PRO A 19 -9.897 -5.455 -17.377 1.00 0.00 C ATOM 253 CG PRO A 19 -9.353 -6.725 -17.934 1.00 0.00 C ATOM 254 CD PRO A 19 -7.885 -6.726 -17.605 1.00 0.00 C ATOM 0 HA PRO A 19 -8.906 -4.136 -15.910 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.957 -5.549 -17.139 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.802 -4.637 -18.091 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.852 -7.589 -17.495 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.512 -6.778 -19.011 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.514 -7.735 -17.426 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.291 -6.307 -18.417 1.00 0.00 H new ATOM 262 N ARG A 20 -9.151 -6.707 -14.226 1.00 0.00 N ATOM 263 CA ARG A 20 -9.727 -7.314 -13.032 1.00 0.00 C ATOM 264 C ARG A 20 -10.243 -6.245 -12.074 1.00 0.00 C ATOM 265 O ARG A 20 -10.052 -5.050 -12.299 1.00 0.00 O ATOM 266 CB ARG A 20 -8.687 -8.187 -12.326 1.00 0.00 C ATOM 267 CG ARG A 20 -8.631 -9.612 -12.852 1.00 0.00 C ATOM 268 CD ARG A 20 -8.252 -9.649 -14.324 1.00 0.00 C ATOM 269 NE ARG A 20 -9.425 -9.589 -15.193 1.00 0.00 N ATOM 270 CZ ARG A 20 -10.144 -10.654 -15.530 1.00 0.00 C ATOM 271 NH1 ARG A 20 -9.811 -11.854 -15.075 1.00 0.00 N ATOM 272 NH2 ARG A 20 -11.198 -10.520 -16.325 1.00 0.00 N ATOM 0 H ARG A 20 -8.245 -7.088 -14.498 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.566 -7.937 -13.340 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.704 -7.729 -12.437 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.909 -8.211 -11.259 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.906 -10.186 -12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.600 -10.091 -12.713 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.591 -8.812 -14.549 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.693 -10.562 -14.532 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.707 -8.680 -15.561 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.001 -11.961 -14.465 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.365 -12.670 -15.335 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.457 -9.599 -16.678 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.749 -11.338 -16.583 1.00 0.00 H new ATOM 286 N LEU A 21 -10.899 -6.683 -11.005 1.00 0.00 N ATOM 287 CA LEU A 21 -11.445 -5.764 -10.012 1.00 0.00 C ATOM 288 C LEU A 21 -11.245 -6.307 -8.600 1.00 0.00 C ATOM 289 O LEU A 21 -11.238 -7.519 -8.386 1.00 0.00 O ATOM 290 CB LEU A 21 -12.933 -5.525 -10.272 1.00 0.00 C ATOM 291 CG LEU A 21 -13.314 -5.170 -11.710 1.00 0.00 C ATOM 292 CD1 LEU A 21 -13.310 -6.413 -12.586 1.00 0.00 C ATOM 293 CD2 LEU A 21 -14.676 -4.492 -11.749 1.00 0.00 C ATOM 0 H LEU A 21 -11.066 -7.669 -10.804 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.911 -4.817 -10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.481 -6.422 -9.983 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.271 -4.721 -9.619 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.572 -4.473 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.583 -6.141 -13.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.314 -6.857 -12.584 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.029 -7.134 -12.198 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.931 -4.247 -12.780 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.429 -5.165 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.645 -3.578 -11.156 1.00 0.00 H new ATOM 305 N GLN A 22 -11.084 -5.401 -7.641 1.00 0.00 N ATOM 306 CA GLN A 22 -10.886 -5.789 -6.250 1.00 0.00 C ATOM 307 C GLN A 22 -12.110 -6.519 -5.708 1.00 0.00 C ATOM 308 O GLN A 22 -13.242 -6.214 -6.082 1.00 0.00 O ATOM 309 CB GLN A 22 -10.591 -4.557 -5.392 1.00 0.00 C ATOM 310 CG GLN A 22 -9.313 -3.834 -5.785 1.00 0.00 C ATOM 311 CD GLN A 22 -9.488 -2.968 -7.017 1.00 0.00 C ATOM 312 OE1 GLN A 22 -10.347 -2.087 -7.054 1.00 0.00 O ATOM 313 NE2 GLN A 22 -8.671 -3.215 -8.035 1.00 0.00 N ATOM 0 H GLN A 22 -11.087 -4.394 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.033 -6.467 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.429 -3.863 -5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.520 -4.860 -4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.981 -3.213 -4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.527 -4.567 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.973 -3.955 -7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.741 -2.664 -8.891 1.00 0.00 H new ATOM 322 N ASN A 23 -11.875 -7.485 -4.826 1.00 0.00 N ATOM 323 CA ASN A 23 -12.960 -8.259 -4.233 1.00 0.00 C ATOM 324 C ASN A 23 -12.679 -8.552 -2.763 1.00 0.00 C ATOM 325 O ASN A 23 -11.826 -9.376 -2.435 1.00 0.00 O ATOM 326 CB ASN A 23 -13.154 -9.571 -4.998 1.00 0.00 C ATOM 327 CG ASN A 23 -13.134 -9.372 -6.501 1.00 0.00 C ATOM 328 OD1 ASN A 23 -14.009 -8.504 -6.995 1.00 0.00 O flip ATOM 329 ND2 ASN A 23 -12.341 -9.993 -7.209 1.00 0.00 N flip ATOM 0 H ASN A 23 -10.944 -7.751 -4.506 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.873 -7.668 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.368 -10.272 -4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.103 -10.022 -4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.686 -10.650 -6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.339 -9.850 -8.219 1.00 0.00 H new ATOM 336 N SER A 24 -13.404 -7.870 -1.881 1.00 0.00 N ATOM 337 CA SER A 24 -13.231 -8.054 -0.445 1.00 0.00 C ATOM 338 C SER A 24 -11.758 -8.239 -0.094 1.00 0.00 C ATOM 339 O SER A 24 -11.401 -9.105 0.706 1.00 0.00 O ATOM 340 CB SER A 24 -14.037 -9.262 0.037 1.00 0.00 C ATOM 341 OG SER A 24 -15.424 -9.068 -0.177 1.00 0.00 O ATOM 0 H SER A 24 -14.116 -7.186 -2.136 1.00 0.00 H new ATOM 0 HA SER A 24 -13.597 -7.158 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.706 -10.157 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.849 -9.429 1.098 1.00 0.00 H new ATOM 0 HG SER A 24 -15.917 -9.854 0.138 1.00 0.00 H new ATOM 347 N THR A 25 -10.904 -7.418 -0.698 1.00 0.00 N ATOM 348 CA THR A 25 -9.470 -7.491 -0.452 1.00 0.00 C ATOM 349 C THR A 25 -9.045 -6.494 0.620 1.00 0.00 C ATOM 350 O THR A 25 -9.711 -5.482 0.839 1.00 0.00 O ATOM 351 CB THR A 25 -8.665 -7.219 -1.737 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.151 -6.035 -2.379 1.00 0.00 O ATOM 353 CG2 THR A 25 -8.761 -8.397 -2.695 1.00 0.00 C ATOM 0 H THR A 25 -11.182 -6.695 -1.361 1.00 0.00 H new ATOM 0 HA THR A 25 -9.260 -8.503 -0.107 1.00 0.00 H new ATOM 0 HB THR A 25 -7.620 -7.079 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.633 -5.869 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.185 -8.182 -3.595 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.363 -9.290 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.804 -8.564 -2.963 1.00 0.00 H new ATOM 361 N TYR A 26 -7.933 -6.786 1.285 1.00 0.00 N ATOM 362 CA TYR A 26 -7.420 -5.916 2.337 1.00 0.00 C ATOM 363 C TYR A 26 -6.199 -5.138 1.853 1.00 0.00 C ATOM 364 O TYR A 26 -5.143 -5.717 1.598 1.00 0.00 O ATOM 365 CB TYR A 26 -7.058 -6.736 3.576 1.00 0.00 C ATOM 366 CG TYR A 26 -8.259 -7.172 4.385 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.377 -7.717 3.767 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.275 -7.038 5.768 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.477 -8.115 4.502 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.369 -7.435 6.511 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.468 -7.973 5.874 1.00 0.00 C ATOM 372 OH TYR A 26 -11.561 -8.369 6.611 1.00 0.00 O ATOM 0 H TYR A 26 -7.369 -7.619 1.114 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.203 -5.204 2.598 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.499 -7.619 3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.397 -6.147 4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.387 -7.832 2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.417 -6.616 6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.339 -8.535 4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.364 -7.325 7.585 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.392 -8.202 7.562 1.00 0.00 H new ATOM 382 N GLN A 27 -6.353 -3.824 1.731 1.00 0.00 N ATOM 383 CA GLN A 27 -5.264 -2.967 1.278 1.00 0.00 C ATOM 384 C GLN A 27 -4.404 -2.513 2.453 1.00 0.00 C ATOM 385 O GLN A 27 -4.666 -1.476 3.063 1.00 0.00 O ATOM 386 CB GLN A 27 -5.820 -1.749 0.537 1.00 0.00 C ATOM 387 CG GLN A 27 -4.744 -0.795 0.043 1.00 0.00 C ATOM 388 CD GLN A 27 -3.955 -1.358 -1.122 1.00 0.00 C ATOM 389 OE1 GLN A 27 -2.987 -2.216 -0.822 1.00 0.00 O flip ATOM 390 NE2 GLN A 27 -4.211 -1.025 -2.279 1.00 0.00 N flip ATOM 0 H GLN A 27 -7.221 -3.330 1.939 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.640 -3.545 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.410 -2.090 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.497 -1.209 1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.207 0.145 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.062 -0.567 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.964 -0.362 -2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.670 -1.412 -3.053 1.00 0.00 H new ATOM 399 N CYS A 28 -3.377 -3.296 2.765 1.00 0.00 N ATOM 400 CA CYS A 28 -2.478 -2.977 3.868 1.00 0.00 C ATOM 401 C CYS A 28 -2.022 -1.522 3.793 1.00 0.00 C ATOM 402 O CYS A 28 -1.905 -0.951 2.709 1.00 0.00 O ATOM 403 CB CYS A 28 -1.263 -3.906 3.848 1.00 0.00 C ATOM 404 SG CYS A 28 -0.048 -3.568 5.163 1.00 0.00 S ATOM 0 H CYS A 28 -3.146 -4.157 2.269 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.022 -3.122 4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.605 -4.937 3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.769 -3.820 2.880 1.00 0.00 H new ATOM 409 N LYS A 29 -1.766 -0.929 4.954 1.00 0.00 N ATOM 410 CA LYS A 29 -1.321 0.458 5.022 1.00 0.00 C ATOM 411 C LYS A 29 0.156 0.538 5.394 1.00 0.00 C ATOM 412 O LYS A 29 0.595 1.495 6.033 1.00 0.00 O ATOM 413 CB LYS A 29 -2.157 1.234 6.043 1.00 0.00 C ATOM 414 CG LYS A 29 -1.857 0.861 7.484 1.00 0.00 C ATOM 415 CD LYS A 29 -2.434 -0.499 7.841 1.00 0.00 C ATOM 416 CE LYS A 29 -2.857 -0.560 9.300 1.00 0.00 C ATOM 417 NZ LYS A 29 -4.018 0.330 9.579 1.00 0.00 N ATOM 0 H LYS A 29 -1.859 -1.387 5.861 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.455 0.905 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.981 2.301 5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.214 1.058 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.778 0.852 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.270 1.618 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.292 -0.710 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.692 -1.273 7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.115 -1.586 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.018 -0.272 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.526 -0.015 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.680 1.298 9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.660 0.330 8.761 1.00 0.00 H new ATOM 431 N HIS A 30 0.919 -0.473 4.990 1.00 0.00 N ATOM 432 CA HIS A 30 2.348 -0.515 5.279 1.00 0.00 C ATOM 433 C HIS A 30 3.150 -0.806 4.014 1.00 0.00 C ATOM 434 O HIS A 30 4.220 -0.235 3.800 1.00 0.00 O ATOM 435 CB HIS A 30 2.644 -1.577 6.339 1.00 0.00 C ATOM 436 CG HIS A 30 2.221 -1.179 7.720 1.00 0.00 C ATOM 437 ND1 HIS A 30 0.928 -0.821 8.037 1.00 0.00 N ATOM 438 CD2 HIS A 30 2.929 -1.085 8.870 1.00 0.00 C ATOM 439 CE1 HIS A 30 0.858 -0.523 9.322 1.00 0.00 C ATOM 440 NE2 HIS A 30 2.059 -0.675 9.851 1.00 0.00 N ATOM 0 H HIS A 30 0.572 -1.274 4.462 1.00 0.00 H new ATOM 0 HA HIS A 30 2.645 0.462 5.660 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.138 -2.503 6.065 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.713 -1.787 6.342 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.981 -1.293 8.993 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.030 -0.209 9.850 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.301 -0.514 10.829 1.00 0.00 H new ATOM 448 N CYS A 31 2.626 -1.697 3.179 1.00 0.00 N ATOM 449 CA CYS A 31 3.293 -2.064 1.935 1.00 0.00 C ATOM 450 C CYS A 31 2.339 -1.945 0.751 1.00 0.00 C ATOM 451 O CYS A 31 2.732 -2.143 -0.399 1.00 0.00 O ATOM 452 CB CYS A 31 3.836 -3.492 2.026 1.00 0.00 C ATOM 453 SG CYS A 31 2.570 -4.746 2.404 1.00 0.00 S ATOM 0 H CYS A 31 1.741 -2.178 3.341 1.00 0.00 H new ATOM 0 HA CYS A 31 4.124 -1.376 1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.315 -3.748 1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.608 -3.527 2.795 1.00 0.00 H new ATOM 458 N ASP A 32 1.084 -1.621 1.040 1.00 0.00 N ATOM 459 CA ASP A 32 0.073 -1.474 -0.001 1.00 0.00 C ATOM 460 C ASP A 32 -0.185 -2.805 -0.700 1.00 0.00 C ATOM 461 O ASP A 32 -0.238 -2.873 -1.928 1.00 0.00 O ATOM 462 CB ASP A 32 0.511 -0.424 -1.023 1.00 0.00 C ATOM 463 CG ASP A 32 0.022 0.967 -0.670 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.040 1.315 0.529 1.00 0.00 O ATOM 465 OD2 ASP A 32 -0.379 1.707 -1.592 1.00 0.00 O ATOM 0 H ASP A 32 0.742 -1.455 1.986 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.853 -1.146 0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.599 -0.418 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.133 -0.700 -2.008 1.00 0.00 H new ATOM 470 N SER A 33 -0.343 -3.862 0.091 1.00 0.00 N ATOM 471 CA SER A 33 -0.590 -5.193 -0.452 1.00 0.00 C ATOM 472 C SER A 33 -2.085 -5.500 -0.478 1.00 0.00 C ATOM 473 O SER A 33 -2.912 -4.646 -0.158 1.00 0.00 O ATOM 474 CB SER A 33 0.145 -6.249 0.375 1.00 0.00 C ATOM 475 OG SER A 33 0.154 -7.501 -0.288 1.00 0.00 O ATOM 0 H SER A 33 -0.304 -3.822 1.110 1.00 0.00 H new ATOM 0 HA SER A 33 -0.214 -5.217 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.169 -5.924 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.335 -6.353 1.348 1.00 0.00 H new ATOM 0 HG SER A 33 0.631 -8.158 0.260 1.00 0.00 H new ATOM 481 N LYS A 34 -2.423 -6.726 -0.861 1.00 0.00 N ATOM 482 CA LYS A 34 -3.817 -7.149 -0.929 1.00 0.00 C ATOM 483 C LYS A 34 -3.994 -8.537 -0.320 1.00 0.00 C ATOM 484 O LYS A 34 -3.552 -9.536 -0.889 1.00 0.00 O ATOM 485 CB LYS A 34 -4.301 -7.152 -2.381 1.00 0.00 C ATOM 486 CG LYS A 34 -4.613 -5.767 -2.920 1.00 0.00 C ATOM 487 CD LYS A 34 -5.141 -5.829 -4.344 1.00 0.00 C ATOM 488 CE LYS A 34 -4.939 -4.508 -5.071 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.414 -4.573 -6.481 1.00 0.00 N ATOM 0 H LYS A 34 -1.751 -7.445 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.414 -6.440 -0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.539 -7.614 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.194 -7.772 -2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.350 -5.283 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.713 -5.153 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.633 -6.626 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.202 -6.079 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.473 -3.718 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.882 -4.243 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.259 -3.654 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.887 -5.310 -6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.429 -4.801 -6.495 1.00 0.00 H new ATOM 503 N LEU A 35 -4.644 -8.592 0.837 1.00 0.00 N ATOM 504 CA LEU A 35 -4.881 -9.858 1.522 1.00 0.00 C ATOM 505 C LEU A 35 -6.351 -10.256 1.437 1.00 0.00 C ATOM 506 O LEU A 35 -7.217 -9.417 1.192 1.00 0.00 O ATOM 507 CB LEU A 35 -4.452 -9.756 2.987 1.00 0.00 C ATOM 508 CG LEU A 35 -2.957 -9.916 3.261 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.150 -8.965 2.391 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.656 -9.679 4.734 1.00 0.00 C ATOM 0 H LEU A 35 -5.016 -7.775 1.321 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.286 -10.627 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.770 -8.787 3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.989 -10.516 3.556 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.669 -10.937 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.088 -9.093 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.342 -9.182 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.441 -7.937 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.587 -9.797 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.960 -8.669 5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.205 -10.401 5.338 1.00 0.00 H new ATOM 522 N GLN A 36 -6.624 -11.540 1.643 1.00 0.00 N ATOM 523 CA GLN A 36 -7.989 -12.049 1.591 1.00 0.00 C ATOM 524 C GLN A 36 -8.830 -11.468 2.723 1.00 0.00 C ATOM 525 O GLN A 36 -9.860 -10.838 2.485 1.00 0.00 O ATOM 526 CB GLN A 36 -7.991 -13.576 1.670 1.00 0.00 C ATOM 527 CG GLN A 36 -7.360 -14.249 0.461 1.00 0.00 C ATOM 528 CD GLN A 36 -7.093 -15.724 0.687 1.00 0.00 C ATOM 529 OE1 GLN A 36 -7.723 -16.358 1.534 1.00 0.00 O ATOM 530 NE2 GLN A 36 -6.155 -16.279 -0.072 1.00 0.00 N ATOM 0 H GLN A 36 -5.918 -12.247 1.848 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.428 -11.742 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.456 -13.886 2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.018 -13.925 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.018 -14.131 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.423 -13.747 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.658 -15.716 -0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.932 -17.269 0.035 1.00 0.00 H new ATOM 539 N SER A 37 -8.383 -11.685 3.956 1.00 0.00 N ATOM 540 CA SER A 37 -9.096 -11.187 5.126 1.00 0.00 C ATOM 541 C SER A 37 -8.144 -10.998 6.303 1.00 0.00 C ATOM 542 O SER A 37 -6.953 -11.294 6.208 1.00 0.00 O ATOM 543 CB SER A 37 -10.219 -12.151 5.514 1.00 0.00 C ATOM 544 OG SER A 37 -11.100 -12.373 4.426 1.00 0.00 O ATOM 0 H SER A 37 -7.530 -12.202 4.170 1.00 0.00 H new ATOM 0 HA SER A 37 -9.529 -10.219 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.792 -13.100 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.775 -11.745 6.359 1.00 0.00 H new ATOM 0 HG SER A 37 -11.808 -12.994 4.699 1.00 0.00 H new ATOM 550 N THR A 38 -8.679 -10.503 7.415 1.00 0.00 N ATOM 551 CA THR A 38 -7.879 -10.273 8.611 1.00 0.00 C ATOM 552 C THR A 38 -6.986 -11.471 8.915 1.00 0.00 C ATOM 553 O THR A 38 -5.775 -11.329 9.079 1.00 0.00 O ATOM 554 CB THR A 38 -8.768 -9.986 9.836 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.760 -9.009 9.503 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.933 -9.491 11.007 1.00 0.00 C ATOM 0 H THR A 38 -9.663 -10.254 7.512 1.00 0.00 H new ATOM 0 HA THR A 38 -7.257 -9.401 8.411 1.00 0.00 H new ATOM 0 HB THR A 38 -9.258 -10.915 10.128 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.322 -8.833 10.286 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.583 -9.295 11.860 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.199 -10.250 11.277 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.418 -8.573 10.724 1.00 0.00 H new ATOM 564 N ALA A 39 -7.592 -12.651 8.988 1.00 0.00 N ATOM 565 CA ALA A 39 -6.852 -13.875 9.269 1.00 0.00 C ATOM 566 C ALA A 39 -5.462 -13.831 8.642 1.00 0.00 C ATOM 567 O ALA A 39 -4.489 -14.294 9.236 1.00 0.00 O ATOM 568 CB ALA A 39 -7.622 -15.086 8.765 1.00 0.00 C ATOM 0 H ALA A 39 -8.594 -12.785 8.856 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.733 -13.959 10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.057 -15.993 8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.591 -15.134 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.771 -15.000 7.689 1.00 0.00 H new ATOM 574 N GLU A 40 -5.378 -13.273 7.439 1.00 0.00 N ATOM 575 CA GLU A 40 -4.106 -13.171 6.732 1.00 0.00 C ATOM 576 C GLU A 40 -3.330 -11.937 7.183 1.00 0.00 C ATOM 577 O GLU A 40 -2.107 -11.975 7.320 1.00 0.00 O ATOM 578 CB GLU A 40 -4.340 -13.115 5.221 1.00 0.00 C ATOM 579 CG GLU A 40 -4.543 -14.480 4.586 1.00 0.00 C ATOM 580 CD GLU A 40 -3.319 -15.367 4.706 1.00 0.00 C ATOM 581 OE1 GLU A 40 -2.204 -14.883 4.421 1.00 0.00 O ATOM 582 OE2 GLU A 40 -3.477 -16.547 5.085 1.00 0.00 O ATOM 0 H GLU A 40 -6.174 -12.885 6.933 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.516 -14.057 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.215 -12.496 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.488 -12.626 4.748 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.392 -14.974 5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.793 -14.353 3.533 1.00 0.00 H new ATOM 589 N LEU A 41 -4.050 -10.844 7.413 1.00 0.00 N ATOM 590 CA LEU A 41 -3.430 -9.597 7.848 1.00 0.00 C ATOM 591 C LEU A 41 -2.727 -9.779 9.190 1.00 0.00 C ATOM 592 O LEU A 41 -1.576 -9.374 9.360 1.00 0.00 O ATOM 593 CB LEU A 41 -4.482 -8.492 7.956 1.00 0.00 C ATOM 594 CG LEU A 41 -3.961 -7.058 7.858 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.448 -6.771 6.456 1.00 0.00 C ATOM 596 CD2 LEU A 41 -5.051 -6.068 8.243 1.00 0.00 C ATOM 0 H LEU A 41 -5.063 -10.796 7.306 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.686 -9.310 7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.221 -8.643 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.002 -8.604 8.908 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.131 -6.944 8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.081 -5.746 6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.637 -7.459 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.258 -6.902 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.663 -5.052 8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.901 -6.183 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.371 -6.259 9.267 1.00 0.00 H new ATOM 608 N THR A 42 -3.425 -10.392 10.140 1.00 0.00 N ATOM 609 CA THR A 42 -2.868 -10.628 11.466 1.00 0.00 C ATOM 610 C THR A 42 -1.457 -11.196 11.376 1.00 0.00 C ATOM 611 O THR A 42 -0.585 -10.847 12.172 1.00 0.00 O ATOM 612 CB THR A 42 -3.748 -11.595 12.281 1.00 0.00 C ATOM 613 OG1 THR A 42 -5.097 -11.117 12.318 1.00 0.00 O ATOM 614 CG2 THR A 42 -3.218 -11.743 13.699 1.00 0.00 C ATOM 0 H THR A 42 -4.378 -10.734 10.016 1.00 0.00 H new ATOM 0 HA THR A 42 -2.837 -9.663 11.972 1.00 0.00 H new ATOM 0 HB THR A 42 -3.722 -12.571 11.796 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.650 -11.738 12.836 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.855 -12.430 14.256 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.201 -12.135 13.668 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.217 -10.770 14.191 1.00 0.00 H new ATOM 622 N SER A 43 -1.238 -12.074 10.402 1.00 0.00 N ATOM 623 CA SER A 43 0.068 -12.693 10.210 1.00 0.00 C ATOM 624 C SER A 43 0.969 -11.809 9.354 1.00 0.00 C ATOM 625 O SER A 43 2.107 -11.519 9.723 1.00 0.00 O ATOM 626 CB SER A 43 -0.087 -14.068 9.557 1.00 0.00 C ATOM 627 OG SER A 43 1.174 -14.685 9.361 1.00 0.00 O ATOM 0 H SER A 43 -1.948 -12.373 9.734 1.00 0.00 H new ATOM 0 HA SER A 43 0.532 -12.814 11.189 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.713 -14.703 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.597 -13.964 8.599 1.00 0.00 H new ATOM 0 HG SER A 43 1.047 -15.563 8.944 1.00 0.00 H new ATOM 633 N HIS A 44 0.450 -11.382 8.207 1.00 0.00 N ATOM 634 CA HIS A 44 1.206 -10.529 7.296 1.00 0.00 C ATOM 635 C HIS A 44 1.857 -9.373 8.049 1.00 0.00 C ATOM 636 O HIS A 44 3.043 -9.091 7.870 1.00 0.00 O ATOM 637 CB HIS A 44 0.293 -9.987 6.196 1.00 0.00 C ATOM 638 CG HIS A 44 0.933 -8.924 5.356 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.948 -9.183 4.460 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.696 -7.594 5.280 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.309 -8.058 3.869 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.564 -7.078 4.349 1.00 0.00 N ATOM 0 H HIS A 44 -0.490 -11.612 7.886 1.00 0.00 H new ATOM 0 HA HIS A 44 1.992 -11.132 6.841 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.015 -10.811 5.552 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.611 -9.583 6.652 1.00 0.00 H new ATOM 0 HD1 HIS A 44 2.357 -10.100 4.281 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.039 -7.041 5.846 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.081 -7.957 3.121 1.00 0.00 H new ATOM 650 N LEU A 45 1.075 -8.707 8.891 1.00 0.00 N ATOM 651 CA LEU A 45 1.575 -7.580 9.671 1.00 0.00 C ATOM 652 C LEU A 45 2.810 -7.979 10.473 1.00 0.00 C ATOM 653 O LEU A 45 3.864 -7.355 10.359 1.00 0.00 O ATOM 654 CB LEU A 45 0.486 -7.063 10.613 1.00 0.00 C ATOM 655 CG LEU A 45 -0.446 -5.995 10.039 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.591 -5.714 10.999 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.326 -4.719 9.738 1.00 0.00 C ATOM 0 H LEU A 45 0.092 -8.928 9.051 1.00 0.00 H new ATOM 0 HA LEU A 45 1.855 -6.786 8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.120 -7.910 10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.966 -6.657 11.503 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.866 -6.370 9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.244 -4.952 10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.161 -6.629 11.164 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.191 -5.360 11.949 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.353 -3.970 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.775 -4.340 10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.110 -4.931 9.011 1.00 0.00 H new ATOM 669 N ASN A 46 2.671 -9.023 11.284 1.00 0.00 N ATOM 670 CA ASN A 46 3.775 -9.506 12.104 1.00 0.00 C ATOM 671 C ASN A 46 5.097 -9.410 11.348 1.00 0.00 C ATOM 672 O ASN A 46 6.125 -9.046 11.919 1.00 0.00 O ATOM 673 CB ASN A 46 3.525 -10.953 12.533 1.00 0.00 C ATOM 674 CG ASN A 46 2.734 -11.044 13.824 1.00 0.00 C ATOM 675 OD1 ASN A 46 3.263 -11.442 14.862 1.00 0.00 O ATOM 676 ND2 ASN A 46 1.460 -10.676 13.765 1.00 0.00 N ATOM 0 H ASN A 46 1.804 -9.550 11.390 1.00 0.00 H new ATOM 0 HA ASN A 46 3.837 -8.876 12.992 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.987 -11.476 11.742 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.480 -11.462 12.659 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.878 -10.717 14.602 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.063 -10.352 12.883 1.00 0.00 H new ATOM 683 N ILE A 47 5.061 -9.738 10.061 1.00 0.00 N ATOM 684 CA ILE A 47 6.255 -9.687 9.226 1.00 0.00 C ATOM 685 C ILE A 47 6.928 -8.321 9.312 1.00 0.00 C ATOM 686 O ILE A 47 8.145 -8.225 9.469 1.00 0.00 O ATOM 687 CB ILE A 47 5.926 -9.993 7.753 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.228 -11.350 7.635 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.192 -9.968 6.911 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.402 -11.497 6.377 1.00 0.00 C ATOM 0 H ILE A 47 4.218 -10.042 9.574 1.00 0.00 H new ATOM 0 HA ILE A 47 6.936 -10.450 9.603 1.00 0.00 H new ATOM 0 HB ILE A 47 5.250 -9.224 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.979 -12.139 7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.584 -11.495 8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.943 -10.186 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.652 -8.982 6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.890 -10.718 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.937 -12.483 6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.628 -10.730 6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.045 -11.385 5.504 1.00 0.00 H new ATOM 702 N HIS A 48 6.126 -7.266 9.209 1.00 0.00 N ATOM 703 CA HIS A 48 6.644 -5.903 9.277 1.00 0.00 C ATOM 704 C HIS A 48 7.482 -5.703 10.536 1.00 0.00 C ATOM 705 O HIS A 48 8.594 -5.181 10.476 1.00 0.00 O ATOM 706 CB HIS A 48 5.493 -4.897 9.251 1.00 0.00 C ATOM 707 CG HIS A 48 4.863 -4.742 7.901 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.537 -4.989 6.723 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.613 -4.366 7.545 1.00 0.00 C ATOM 710 CE1 HIS A 48 4.729 -4.769 5.701 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.555 -4.390 6.173 1.00 0.00 N ATOM 0 H HIS A 48 5.116 -7.328 9.078 1.00 0.00 H new ATOM 0 HA HIS A 48 7.281 -5.738 8.408 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.731 -5.211 9.965 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.862 -3.927 9.584 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.508 -5.294 6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.810 -4.097 8.215 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.985 -4.880 4.658 1.00 0.00 H new ATOM 719 N ASN A 49 6.939 -6.121 11.675 1.00 0.00 N ATOM 720 CA ASN A 49 7.636 -5.986 12.949 1.00 0.00 C ATOM 721 C ASN A 49 9.057 -6.534 12.852 1.00 0.00 C ATOM 722 O ASN A 49 10.024 -5.836 13.155 1.00 0.00 O ATOM 723 CB ASN A 49 6.870 -6.717 14.054 1.00 0.00 C ATOM 724 CG ASN A 49 5.625 -5.967 14.487 1.00 0.00 C ATOM 725 OD1 ASN A 49 5.627 -5.272 15.503 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.553 -6.105 13.715 1.00 0.00 N ATOM 0 H ASN A 49 6.019 -6.556 11.742 1.00 0.00 H new ATOM 0 HA ASN A 49 7.690 -4.925 13.194 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.589 -7.710 13.702 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.524 -6.857 14.914 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.686 -5.624 13.955 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.597 -6.692 12.882 1.00 0.00 H new ATOM 733 N GLU A 50 9.174 -7.788 12.427 1.00 0.00 N ATOM 734 CA GLU A 50 10.476 -8.430 12.291 1.00 0.00 C ATOM 735 C GLU A 50 11.354 -7.673 11.297 1.00 0.00 C ATOM 736 O GLU A 50 12.521 -7.398 11.570 1.00 0.00 O ATOM 737 CB GLU A 50 10.310 -9.882 11.839 1.00 0.00 C ATOM 738 CG GLU A 50 9.576 -10.752 12.845 1.00 0.00 C ATOM 739 CD GLU A 50 8.077 -10.770 12.616 1.00 0.00 C ATOM 740 OE1 GLU A 50 7.649 -11.201 11.524 1.00 0.00 O ATOM 741 OE2 GLU A 50 7.332 -10.354 13.527 1.00 0.00 O ATOM 0 H GLU A 50 8.383 -8.379 12.171 1.00 0.00 H new ATOM 0 HA GLU A 50 10.963 -8.415 13.266 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.769 -9.900 10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.295 -10.310 11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.961 -11.770 12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.782 -10.389 13.852 1.00 0.00 H new ATOM 748 N GLU A 51 10.781 -7.342 10.144 1.00 0.00 N ATOM 749 CA GLU A 51 11.512 -6.620 9.109 1.00 0.00 C ATOM 750 C GLU A 51 12.012 -5.277 9.633 1.00 0.00 C ATOM 751 O GLU A 51 13.076 -4.800 9.237 1.00 0.00 O ATOM 752 CB GLU A 51 10.622 -6.402 7.883 1.00 0.00 C ATOM 753 CG GLU A 51 10.543 -7.610 6.966 1.00 0.00 C ATOM 754 CD GLU A 51 11.910 -8.159 6.606 1.00 0.00 C ATOM 755 OE1 GLU A 51 12.893 -7.391 6.673 1.00 0.00 O ATOM 756 OE2 GLU A 51 11.997 -9.355 6.257 1.00 0.00 O ATOM 0 H GLU A 51 9.814 -7.562 9.903 1.00 0.00 H new ATOM 0 HA GLU A 51 12.374 -7.222 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.617 -6.143 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.000 -5.551 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.958 -8.392 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.014 -7.335 6.053 1.00 0.00 H new ATOM 763 N PHE A 52 11.237 -4.671 10.527 1.00 0.00 N ATOM 764 CA PHE A 52 11.599 -3.383 11.105 1.00 0.00 C ATOM 765 C PHE A 52 12.731 -3.539 12.116 1.00 0.00 C ATOM 766 O PHE A 52 13.656 -2.729 12.157 1.00 0.00 O ATOM 767 CB PHE A 52 10.384 -2.742 11.778 1.00 0.00 C ATOM 768 CG PHE A 52 10.479 -1.247 11.890 1.00 0.00 C ATOM 769 CD1 PHE A 52 10.695 -0.467 10.766 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.354 -0.622 13.120 1.00 0.00 C ATOM 771 CE1 PHE A 52 10.783 0.909 10.865 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.440 0.754 13.226 1.00 0.00 C ATOM 773 CZ PHE A 52 10.657 1.520 12.097 1.00 0.00 C ATOM 0 H PHE A 52 10.354 -5.052 10.867 1.00 0.00 H new ATOM 0 HA PHE A 52 11.943 -2.735 10.298 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.488 -3.000 11.213 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.265 -3.166 12.775 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.796 -0.940 9.800 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.187 -1.216 14.006 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.950 1.505 9.980 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.338 1.229 14.190 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.728 2.595 12.178 1.00 0.00 H new ATOM 783 N GLN A 53 12.649 -4.587 12.930 1.00 0.00 N ATOM 784 CA GLN A 53 13.666 -4.849 13.942 1.00 0.00 C ATOM 785 C GLN A 53 15.063 -4.818 13.331 1.00 0.00 C ATOM 786 O GLN A 53 15.970 -4.176 13.861 1.00 0.00 O ATOM 787 CB GLN A 53 13.417 -6.205 14.606 1.00 0.00 C ATOM 788 CG GLN A 53 14.576 -6.684 15.463 1.00 0.00 C ATOM 789 CD GLN A 53 14.126 -7.555 16.620 1.00 0.00 C ATOM 790 OE1 GLN A 53 13.069 -8.184 16.563 1.00 0.00 O ATOM 791 NE2 GLN A 53 14.929 -7.598 17.677 1.00 0.00 N ATOM 0 H GLN A 53 11.890 -5.268 12.908 1.00 0.00 H new ATOM 0 HA GLN A 53 13.602 -4.065 14.697 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.522 -6.138 15.224 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.216 -6.947 13.833 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.275 -7.244 14.842 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.116 -5.821 15.852 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.796 -7.060 17.681 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.679 -8.169 18.485 1.00 0.00 H new ATOM 800 N LYS A 54 15.230 -5.516 12.213 1.00 0.00 N ATOM 801 CA LYS A 54 16.516 -5.569 11.528 1.00 0.00 C ATOM 802 C LYS A 54 16.731 -4.320 10.679 1.00 0.00 C ATOM 803 O LYS A 54 17.744 -3.633 10.814 1.00 0.00 O ATOM 804 CB LYS A 54 16.598 -6.818 10.647 1.00 0.00 C ATOM 805 CG LYS A 54 18.008 -7.357 10.487 1.00 0.00 C ATOM 806 CD LYS A 54 18.845 -6.470 9.579 1.00 0.00 C ATOM 807 CE LYS A 54 20.329 -6.603 9.884 1.00 0.00 C ATOM 808 NZ LYS A 54 20.734 -5.761 11.044 1.00 0.00 N ATOM 0 H LYS A 54 14.490 -6.053 11.762 1.00 0.00 H new ATOM 0 HA LYS A 54 17.300 -5.614 12.284 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.967 -7.597 11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.193 -6.585 9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.484 -7.430 11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.968 -8.366 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.661 -6.736 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 54 18.539 -5.431 9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 54 20.565 -7.647 10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.908 -6.315 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.752 -5.879 11.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.532 -4.762 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 20.201 -6.053 11.888 1.00 0.00 H new ATOM 822 N ARG A 55 15.772 -4.031 9.806 1.00 0.00 N ATOM 823 CA ARG A 55 15.857 -2.865 8.935 1.00 0.00 C ATOM 824 C ARG A 55 16.212 -1.614 9.734 1.00 0.00 C ATOM 825 O ARG A 55 16.904 -0.725 9.240 1.00 0.00 O ATOM 826 CB ARG A 55 14.533 -2.654 8.198 1.00 0.00 C ATOM 827 CG ARG A 55 14.615 -1.626 7.082 1.00 0.00 C ATOM 828 CD ARG A 55 15.231 -2.217 5.823 1.00 0.00 C ATOM 829 NE ARG A 55 15.318 -1.237 4.744 1.00 0.00 N ATOM 830 CZ ARG A 55 16.292 -0.339 4.644 1.00 0.00 C ATOM 831 NH1 ARG A 55 17.257 -0.299 5.552 1.00 0.00 N ATOM 832 NH2 ARG A 55 16.303 0.520 3.632 1.00 0.00 N ATOM 0 H ARG A 55 14.927 -4.588 9.683 1.00 0.00 H new ATOM 0 HA ARG A 55 16.646 -3.045 8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.204 -3.605 7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.774 -2.340 8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.617 -1.250 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 55 15.209 -0.774 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.228 -2.595 6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.635 -3.068 5.493 1.00 0.00 H new ATOM 0 HE ARG A 55 14.591 -1.242 4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.253 -0.959 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.004 0.391 5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.563 0.491 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 55 17.051 1.209 3.556 1.00 0.00 H new ATOM 846 N ALA A 56 15.731 -1.553 10.972 1.00 0.00 N ATOM 847 CA ALA A 56 15.998 -0.413 11.840 1.00 0.00 C ATOM 848 C ALA A 56 17.491 -0.266 12.109 1.00 0.00 C ATOM 849 O ALA A 56 17.986 -0.670 13.162 1.00 0.00 O ATOM 850 CB ALA A 56 15.235 -0.557 13.149 1.00 0.00 C ATOM 0 H ALA A 56 15.155 -2.280 11.396 1.00 0.00 H new ATOM 0 HA ALA A 56 15.657 0.488 11.331 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.443 0.301 13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.166 -0.605 12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.549 -1.470 13.654 1.00 0.00 H new ATOM 856 N LYS A 57 18.206 0.314 11.151 1.00 0.00 N ATOM 857 CA LYS A 57 19.644 0.515 11.284 1.00 0.00 C ATOM 858 C LYS A 57 19.955 1.940 11.731 1.00 0.00 C ATOM 859 O LYS A 57 19.048 2.730 11.994 1.00 0.00 O ATOM 860 CB LYS A 57 20.346 0.222 9.956 1.00 0.00 C ATOM 861 CG LYS A 57 20.711 -1.241 9.772 1.00 0.00 C ATOM 862 CD LYS A 57 22.089 -1.547 10.335 1.00 0.00 C ATOM 863 CE LYS A 57 23.191 -0.993 9.446 1.00 0.00 C ATOM 864 NZ LYS A 57 23.223 -1.666 8.118 1.00 0.00 N ATOM 0 H LYS A 57 17.813 0.653 10.273 1.00 0.00 H new ATOM 0 HA LYS A 57 20.013 -0.175 12.043 1.00 0.00 H new ATOM 0 HB2 LYS A 57 19.699 0.532 9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 57 21.252 0.825 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 57 19.968 -1.867 10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 57 20.686 -1.493 8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 57 22.178 -1.121 11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 57 22.210 -2.625 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 57 23.042 0.078 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 57 24.154 -1.119 9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 24.149 -1.509 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 23.067 -2.687 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 22.475 -1.273 7.512 1.00 0.00 H new ATOM 878 N ARG A 58 21.242 2.262 11.814 1.00 0.00 N ATOM 879 CA ARG A 58 21.671 3.592 12.229 1.00 0.00 C ATOM 880 C ARG A 58 21.552 4.586 11.078 1.00 0.00 C ATOM 881 O ARG A 58 22.464 5.375 10.830 1.00 0.00 O ATOM 882 CB ARG A 58 23.115 3.550 12.734 1.00 0.00 C ATOM 883 CG ARG A 58 24.128 3.210 11.653 1.00 0.00 C ATOM 884 CD ARG A 58 25.490 3.815 11.957 1.00 0.00 C ATOM 885 NE ARG A 58 26.266 2.983 12.873 1.00 0.00 N ATOM 886 CZ ARG A 58 26.817 1.825 12.526 1.00 0.00 C ATOM 887 NH1 ARG A 58 26.678 1.364 11.291 1.00 0.00 N ATOM 888 NH2 ARG A 58 27.509 1.125 13.417 1.00 0.00 N ATOM 0 H ARG A 58 22.005 1.620 11.599 1.00 0.00 H new ATOM 0 HA ARG A 58 21.019 3.921 13.038 1.00 0.00 H new ATOM 0 HB2 ARG A 58 23.368 4.518 13.166 1.00 0.00 H new ATOM 0 HB3 ARG A 58 23.190 2.814 13.535 1.00 0.00 H new ATOM 0 HG2 ARG A 58 24.220 2.127 11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 58 23.772 3.577 10.690 1.00 0.00 H new ATOM 0 HD2 ARG A 58 26.044 3.945 11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 58 25.358 4.806 12.391 1.00 0.00 H new ATOM 0 HE ARG A 58 26.392 3.309 13.831 1.00 0.00 H new ATOM 0 HH11 ARG A 58 26.147 1.899 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 58 27.102 0.475 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 58 27.618 1.476 14.368 1.00 0.00 H new ATOM 0 HH22 ARG A 58 27.932 0.236 13.150 1.00 0.00 H new ATOM 902 N GLN A 59 20.423 4.540 10.378 1.00 0.00 N ATOM 903 CA GLN A 59 20.186 5.436 9.252 1.00 0.00 C ATOM 904 C GLN A 59 20.570 6.869 9.606 1.00 0.00 C ATOM 905 O GLN A 59 20.824 7.184 10.768 1.00 0.00 O ATOM 906 CB GLN A 59 18.717 5.379 8.828 1.00 0.00 C ATOM 907 CG GLN A 59 18.401 4.233 7.881 1.00 0.00 C ATOM 908 CD GLN A 59 18.754 4.551 6.441 1.00 0.00 C ATOM 909 OE1 GLN A 59 19.140 5.675 6.119 1.00 0.00 O ATOM 910 NE2 GLN A 59 18.623 3.561 5.566 1.00 0.00 N ATOM 0 H GLN A 59 19.659 3.893 10.570 1.00 0.00 H new ATOM 0 HA GLN A 59 20.810 5.107 8.421 1.00 0.00 H new ATOM 0 HB2 GLN A 59 18.094 5.286 9.718 1.00 0.00 H new ATOM 0 HB3 GLN A 59 18.449 6.320 8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 59 18.947 3.344 8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 59 17.339 3.995 7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 59 18.300 2.645 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.846 3.717 4.583 1.00 0.00 H new ATOM 919 N GLU A 60 20.611 7.732 8.596 1.00 0.00 N ATOM 920 CA GLU A 60 20.966 9.131 8.802 1.00 0.00 C ATOM 921 C GLU A 60 19.742 10.031 8.654 1.00 0.00 C ATOM 922 O GLU A 60 19.356 10.729 9.591 1.00 0.00 O ATOM 923 CB GLU A 60 22.048 9.558 7.808 1.00 0.00 C ATOM 924 CG GLU A 60 23.352 8.792 7.961 1.00 0.00 C ATOM 925 CD GLU A 60 24.244 9.368 9.043 1.00 0.00 C ATOM 926 OE1 GLU A 60 24.106 10.571 9.347 1.00 0.00 O ATOM 927 OE2 GLU A 60 25.080 8.615 9.585 1.00 0.00 O ATOM 0 H GLU A 60 20.403 7.487 7.628 1.00 0.00 H new ATOM 0 HA GLU A 60 21.352 9.235 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 60 21.673 9.421 6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 60 22.245 10.623 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 60 23.132 7.750 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 60 23.887 8.800 7.012 1.00 0.00 H new ATOM 934 N ARG A 61 19.137 10.007 7.471 1.00 0.00 N ATOM 935 CA ARG A 61 17.958 10.821 7.200 1.00 0.00 C ATOM 936 C ARG A 61 16.685 10.085 7.604 1.00 0.00 C ATOM 937 O ARG A 61 16.396 8.999 7.099 1.00 0.00 O ATOM 938 CB ARG A 61 17.898 11.190 5.716 1.00 0.00 C ATOM 939 CG ARG A 61 19.142 11.906 5.216 1.00 0.00 C ATOM 940 CD ARG A 61 18.955 12.423 3.798 1.00 0.00 C ATOM 941 NE ARG A 61 19.078 11.358 2.806 1.00 0.00 N ATOM 942 CZ ARG A 61 19.408 11.570 1.537 1.00 0.00 C ATOM 943 NH1 ARG A 61 19.647 12.801 1.108 1.00 0.00 N ATOM 944 NH2 ARG A 61 19.501 10.549 0.695 1.00 0.00 N ATOM 0 H ARG A 61 19.443 9.433 6.685 1.00 0.00 H new ATOM 0 HA ARG A 61 18.033 11.733 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 61 17.751 10.283 5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 61 17.029 11.825 5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 61 19.376 12.738 5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 61 19.992 11.225 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.974 12.890 3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 61 19.696 13.196 3.593 1.00 0.00 H new ATOM 0 HE ARG A 61 18.901 10.399 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.578 13.588 1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.900 12.961 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.319 9.600 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.754 10.713 -0.279 1.00 0.00 H new ATOM 958 N ARG A 62 15.926 10.682 8.517 1.00 0.00 N ATOM 959 CA ARG A 62 14.685 10.082 8.991 1.00 0.00 C ATOM 960 C ARG A 62 13.560 11.113 9.022 1.00 0.00 C ATOM 961 O ARG A 62 13.460 11.910 9.955 1.00 0.00 O ATOM 962 CB ARG A 62 14.881 9.483 10.384 1.00 0.00 C ATOM 963 CG ARG A 62 15.595 8.141 10.375 1.00 0.00 C ATOM 964 CD ARG A 62 14.610 6.988 10.259 1.00 0.00 C ATOM 965 NE ARG A 62 14.334 6.643 8.867 1.00 0.00 N ATOM 966 CZ ARG A 62 13.382 5.795 8.495 1.00 0.00 C ATOM 967 NH1 ARG A 62 12.618 5.209 9.407 1.00 0.00 N ATOM 968 NH2 ARG A 62 13.191 5.532 7.208 1.00 0.00 N ATOM 0 H ARG A 62 16.149 11.581 8.943 1.00 0.00 H new ATOM 0 HA ARG A 62 14.408 9.287 8.298 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.450 10.184 10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.907 9.364 10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.297 8.107 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.179 8.032 11.289 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.010 6.116 10.776 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.678 7.255 10.758 1.00 0.00 H new ATOM 0 HE ARG A 62 14.904 7.077 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.761 5.409 10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.888 4.558 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.776 5.981 6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.459 4.880 6.924 1.00 0.00 H new ATOM 982 N LYS A 63 12.716 11.092 7.997 1.00 0.00 N ATOM 983 CA LYS A 63 11.598 12.024 7.906 1.00 0.00 C ATOM 984 C LYS A 63 10.408 11.379 7.203 1.00 0.00 C ATOM 985 O LYS A 63 10.531 10.304 6.615 1.00 0.00 O ATOM 986 CB LYS A 63 12.022 13.289 7.157 1.00 0.00 C ATOM 987 CG LYS A 63 12.578 14.374 8.062 1.00 0.00 C ATOM 988 CD LYS A 63 12.745 15.689 7.319 1.00 0.00 C ATOM 989 CE LYS A 63 13.883 15.619 6.312 1.00 0.00 C ATOM 990 NZ LYS A 63 15.187 16.000 6.922 1.00 0.00 N ATOM 0 H LYS A 63 12.785 10.439 7.216 1.00 0.00 H new ATOM 0 HA LYS A 63 11.297 12.292 8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.775 13.026 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.164 13.685 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.911 14.517 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.541 14.057 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.817 15.938 6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.938 16.490 8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.951 14.608 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.667 16.281 5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.937 15.940 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.130 16.974 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.406 15.353 7.706 1.00 0.00 H new ATOM 1004 N GLN A 64 9.258 12.042 7.267 1.00 0.00 N ATOM 1005 CA GLN A 64 8.047 11.532 6.635 1.00 0.00 C ATOM 1006 C GLN A 64 7.171 12.676 6.136 1.00 0.00 C ATOM 1007 O GLN A 64 6.946 13.656 6.847 1.00 0.00 O ATOM 1008 CB GLN A 64 7.260 10.664 7.619 1.00 0.00 C ATOM 1009 CG GLN A 64 6.719 11.434 8.813 1.00 0.00 C ATOM 1010 CD GLN A 64 6.402 10.535 9.992 1.00 0.00 C ATOM 1011 OE1 GLN A 64 7.300 9.965 10.612 1.00 0.00 O ATOM 1012 NE2 GLN A 64 5.119 10.404 10.308 1.00 0.00 N ATOM 0 H GLN A 64 9.139 12.933 7.750 1.00 0.00 H new ATOM 0 HA GLN A 64 8.342 10.924 5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.428 10.196 7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.904 9.861 7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.449 12.183 9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.817 11.970 8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.408 10.895 9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.845 9.812 11.092 1.00 0.00 H new ATOM 1021 N LEU A 65 6.679 12.545 4.909 1.00 0.00 N ATOM 1022 CA LEU A 65 5.827 13.569 4.313 1.00 0.00 C ATOM 1023 C LEU A 65 4.483 13.645 5.032 1.00 0.00 C ATOM 1024 O LEU A 65 4.106 12.729 5.764 1.00 0.00 O ATOM 1025 CB LEU A 65 5.608 13.277 2.828 1.00 0.00 C ATOM 1026 CG LEU A 65 5.067 11.887 2.489 1.00 0.00 C ATOM 1027 CD1 LEU A 65 4.242 11.931 1.212 1.00 0.00 C ATOM 1028 CD2 LEU A 65 6.208 10.889 2.355 1.00 0.00 C ATOM 0 H LEU A 65 6.855 11.740 4.307 1.00 0.00 H new ATOM 0 HA LEU A 65 6.329 14.531 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.917 14.021 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.556 13.412 2.308 1.00 0.00 H new ATOM 0 HG LEU A 65 4.420 11.562 3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.866 10.933 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.403 12.614 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.865 12.278 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.805 9.906 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.881 11.210 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.757 10.835 3.295 1.00 0.00 H new ATOM 1040 N LEU A 66 3.764 14.741 4.816 1.00 0.00 N ATOM 1041 CA LEU A 66 2.461 14.936 5.441 1.00 0.00 C ATOM 1042 C LEU A 66 1.337 14.753 4.426 1.00 0.00 C ATOM 1043 O LEU A 66 1.567 14.787 3.217 1.00 0.00 O ATOM 1044 CB LEU A 66 2.377 16.329 6.067 1.00 0.00 C ATOM 1045 CG LEU A 66 2.963 16.471 7.472 1.00 0.00 C ATOM 1046 CD1 LEU A 66 3.448 17.893 7.707 1.00 0.00 C ATOM 1047 CD2 LEU A 66 1.934 16.076 8.521 1.00 0.00 C ATOM 0 H LEU A 66 4.061 15.508 4.213 1.00 0.00 H new ATOM 0 HA LEU A 66 2.345 14.186 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.888 17.032 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.329 16.628 6.100 1.00 0.00 H new ATOM 0 HG LEU A 66 3.817 15.799 7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.862 17.975 8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.218 18.140 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.612 18.585 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.368 16.183 9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.060 16.722 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.635 15.039 8.365 1.00 0.00 H new ATOM 1059 N SER A 67 0.120 14.561 4.926 1.00 0.00 N ATOM 1060 CA SER A 67 -1.039 14.372 4.062 1.00 0.00 C ATOM 1061 C SER A 67 -2.134 15.382 4.393 1.00 0.00 C ATOM 1062 O SER A 67 -3.041 15.099 5.176 1.00 0.00 O ATOM 1063 CB SER A 67 -1.582 12.949 4.207 1.00 0.00 C ATOM 1064 OG SER A 67 -2.252 12.536 3.029 1.00 0.00 O ATOM 0 H SER A 67 -0.088 14.532 5.924 1.00 0.00 H new ATOM 0 HA SER A 67 -0.723 14.530 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.762 12.264 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.267 12.902 5.054 1.00 0.00 H new ATOM 0 HG SER A 67 -2.588 11.623 3.147 1.00 0.00 H new ATOM 1070 N LYS A 68 -2.042 16.563 3.790 1.00 0.00 N ATOM 1071 CA LYS A 68 -3.023 17.617 4.018 1.00 0.00 C ATOM 1072 C LYS A 68 -4.439 17.050 4.026 1.00 0.00 C ATOM 1073 O LYS A 68 -4.743 16.107 3.296 1.00 0.00 O ATOM 1074 CB LYS A 68 -2.901 18.697 2.940 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.925 19.804 3.297 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.565 20.643 2.082 1.00 0.00 C ATOM 1077 CE LYS A 68 -2.601 21.727 1.827 1.00 0.00 C ATOM 1078 NZ LYS A 68 -3.711 21.240 0.961 1.00 0.00 N ATOM 0 H LYS A 68 -1.297 16.814 3.139 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.823 18.061 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.585 18.232 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.884 19.134 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.362 20.442 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.020 19.370 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.587 21.101 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.486 20.000 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.007 22.073 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.121 22.584 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.864 21.912 0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.464 20.308 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.581 21.159 1.525 1.00 0.00 H new ATOM 1092 N GLN A 69 -5.300 17.632 4.855 1.00 0.00 N ATOM 1093 CA GLN A 69 -6.684 17.184 4.956 1.00 0.00 C ATOM 1094 C GLN A 69 -7.611 18.350 5.278 1.00 0.00 C ATOM 1095 O GLN A 69 -7.367 19.112 6.214 1.00 0.00 O ATOM 1096 CB GLN A 69 -6.814 16.102 6.029 1.00 0.00 C ATOM 1097 CG GLN A 69 -8.163 15.400 6.025 1.00 0.00 C ATOM 1098 CD GLN A 69 -8.503 14.780 7.366 1.00 0.00 C ATOM 1099 OE1 GLN A 69 -8.386 15.425 8.408 1.00 0.00 O ATOM 1100 NE2 GLN A 69 -8.927 13.522 7.346 1.00 0.00 N ATOM 0 H GLN A 69 -5.064 18.414 5.466 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.976 16.767 3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.028 15.361 5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.651 16.552 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.939 16.115 5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.162 14.624 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.009 13.025 6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.171 13.052 8.218 1.00 0.00 H new ATOM 1109 N LYS A 70 -8.677 18.486 4.496 1.00 0.00 N ATOM 1110 CA LYS A 70 -9.643 19.559 4.697 1.00 0.00 C ATOM 1111 C LYS A 70 -10.934 19.022 5.308 1.00 0.00 C ATOM 1112 O LYS A 70 -11.125 17.811 5.412 1.00 0.00 O ATOM 1113 CB LYS A 70 -9.946 20.256 3.369 1.00 0.00 C ATOM 1114 CG LYS A 70 -8.778 21.057 2.821 1.00 0.00 C ATOM 1115 CD LYS A 70 -8.668 22.415 3.495 1.00 0.00 C ATOM 1116 CE LYS A 70 -9.558 23.446 2.820 1.00 0.00 C ATOM 1117 NZ LYS A 70 -10.942 23.431 3.370 1.00 0.00 N ATOM 0 H LYS A 70 -8.894 17.865 3.716 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.208 20.281 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.238 19.506 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.800 20.920 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.853 20.500 2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.900 21.192 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.946 22.325 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.632 22.753 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.127 24.439 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.591 23.251 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.335 24.394 3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.537 22.802 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.922 23.087 4.351 1.00 0.00 H new ATOM 1131 N TYR A 71 -11.816 19.931 5.708 1.00 0.00 N ATOM 1132 CA TYR A 71 -13.088 19.548 6.309 1.00 0.00 C ATOM 1133 C TYR A 71 -14.076 20.710 6.279 1.00 0.00 C ATOM 1134 O TYR A 71 -13.689 21.864 6.097 1.00 0.00 O ATOM 1135 CB TYR A 71 -12.875 19.082 7.751 1.00 0.00 C ATOM 1136 CG TYR A 71 -12.909 20.206 8.762 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -11.818 21.050 8.928 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -14.031 20.423 9.551 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.844 22.078 9.851 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -14.067 21.449 10.475 1.00 0.00 C ATOM 1141 CZ TYR A 71 -12.971 22.273 10.622 1.00 0.00 C ATOM 1142 OH TYR A 71 -13.001 23.296 11.542 1.00 0.00 O ATOM 0 H TYR A 71 -11.674 20.938 5.627 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.504 18.726 5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -13.644 18.352 8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -11.915 18.571 7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.934 20.900 8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -14.890 19.778 9.440 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.987 22.725 9.968 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.949 21.605 11.079 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.867 23.297 12.001 1.00 0.00 H new ATOM 1152 N ALA A 72 -15.355 20.395 6.460 1.00 0.00 N ATOM 1153 CA ALA A 72 -16.399 21.412 6.457 1.00 0.00 C ATOM 1154 C ALA A 72 -16.874 21.716 7.874 1.00 0.00 C ATOM 1155 O ALA A 72 -16.847 20.849 8.747 1.00 0.00 O ATOM 1156 CB ALA A 72 -17.568 20.965 5.591 1.00 0.00 C ATOM 0 H ALA A 72 -15.692 19.444 6.610 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.979 22.327 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -18.341 21.734 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.224 20.805 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -17.978 20.035 5.985 1.00 0.00 H new ATOM 1162 N ASP A 73 -17.308 22.952 8.095 1.00 0.00 N ATOM 1163 CA ASP A 73 -17.789 23.370 9.406 1.00 0.00 C ATOM 1164 C ASP A 73 -19.308 23.256 9.489 1.00 0.00 C ATOM 1165 O ASP A 73 -19.847 22.676 10.432 1.00 0.00 O ATOM 1166 CB ASP A 73 -17.357 24.808 9.697 1.00 0.00 C ATOM 1167 CG ASP A 73 -17.632 25.742 8.535 1.00 0.00 C ATOM 1168 OD1 ASP A 73 -16.749 25.880 7.663 1.00 0.00 O ATOM 1169 OD2 ASP A 73 -18.731 26.334 8.498 1.00 0.00 O ATOM 0 H ASP A 73 -17.336 23.682 7.383 1.00 0.00 H new ATOM 0 HA ASP A 73 -17.351 22.709 10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -17.881 25.170 10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.292 24.824 9.928 1.00 0.00 H new ATOM 1174 N GLY A 74 -19.994 23.814 8.496 1.00 0.00 N ATOM 1175 CA GLY A 74 -21.444 23.765 8.477 1.00 0.00 C ATOM 1176 C GLY A 74 -22.064 24.465 9.670 1.00 0.00 C ATOM 1177 O GLY A 74 -21.747 24.150 10.817 1.00 0.00 O ATOM 0 H GLY A 74 -19.571 24.299 7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -21.808 24.227 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -21.769 22.725 8.461 1.00 0.00 H new ATOM 1181 N ALA A 75 -22.950 25.418 9.401 1.00 0.00 N ATOM 1182 CA ALA A 75 -23.616 26.164 10.462 1.00 0.00 C ATOM 1183 C ALA A 75 -24.367 25.228 11.403 1.00 0.00 C ATOM 1184 O ALA A 75 -24.095 25.190 12.603 1.00 0.00 O ATOM 1185 CB ALA A 75 -24.567 27.192 9.867 1.00 0.00 C ATOM 0 H ALA A 75 -23.223 25.692 8.457 1.00 0.00 H new ATOM 0 HA ALA A 75 -22.853 26.684 11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -25.057 27.742 10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -24.007 27.887 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -25.319 26.685 9.263 1.00 0.00 H new ATOM 1191 N PHE A 76 -25.313 24.476 10.851 1.00 0.00 N ATOM 1192 CA PHE A 76 -26.104 23.541 11.642 1.00 0.00 C ATOM 1193 C PHE A 76 -25.230 22.418 12.192 1.00 0.00 C ATOM 1194 O PHE A 76 -24.524 21.742 11.444 1.00 0.00 O ATOM 1195 CB PHE A 76 -27.235 22.954 10.796 1.00 0.00 C ATOM 1196 CG PHE A 76 -28.315 22.299 11.609 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -28.063 21.127 12.304 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -29.582 22.856 11.679 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -29.055 20.523 13.053 1.00 0.00 C ATOM 1200 CE2 PHE A 76 -30.578 22.256 12.427 1.00 0.00 C ATOM 1201 CZ PHE A 76 -30.314 21.088 13.115 1.00 0.00 C ATOM 0 H PHE A 76 -25.551 24.496 9.859 1.00 0.00 H new ATOM 0 HA PHE A 76 -26.533 24.088 12.482 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -27.676 23.748 10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -26.818 22.222 10.104 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -27.081 20.681 12.260 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -29.794 23.769 11.143 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -28.846 19.609 13.590 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -31.561 22.700 12.473 1.00 0.00 H new ATOM 0 HZ PHE A 76 -31.090 20.617 13.700 1.00 0.00 H new ATOM 1211 N ALA A 77 -25.282 22.225 13.506 1.00 0.00 N ATOM 1212 CA ALA A 77 -24.497 21.184 14.157 1.00 0.00 C ATOM 1213 C ALA A 77 -24.484 19.905 13.327 1.00 0.00 C ATOM 1214 O ALA A 77 -25.445 19.135 13.341 1.00 0.00 O ATOM 1215 CB ALA A 77 -25.041 20.905 15.550 1.00 0.00 C ATOM 0 H ALA A 77 -25.860 22.776 14.140 1.00 0.00 H new ATOM 0 HA ALA A 77 -23.470 21.540 14.244 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -24.445 20.125 16.024 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -24.991 21.814 16.149 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -26.077 20.575 15.477 1.00 0.00 H new ATOM 1221 N ASP A 78 -23.392 19.686 12.603 1.00 0.00 N ATOM 1222 CA ASP A 78 -23.254 18.500 11.766 1.00 0.00 C ATOM 1223 C ASP A 78 -21.821 18.351 11.266 1.00 0.00 C ATOM 1224 O ASP A 78 -21.109 19.339 11.085 1.00 0.00 O ATOM 1225 CB ASP A 78 -24.217 18.573 10.579 1.00 0.00 C ATOM 1226 CG ASP A 78 -24.584 17.202 10.047 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -24.725 16.267 10.862 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -24.729 17.063 8.814 1.00 0.00 O ATOM 0 H ASP A 78 -22.589 20.315 12.579 1.00 0.00 H new ATOM 0 HA ASP A 78 -23.501 17.628 12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -25.124 19.097 10.882 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -23.762 19.159 9.781 1.00 0.00 H new ATOM 1233 N PHE A 79 -21.403 17.109 11.045 1.00 0.00 N ATOM 1234 CA PHE A 79 -20.053 16.830 10.568 1.00 0.00 C ATOM 1235 C PHE A 79 -20.058 15.677 9.568 1.00 0.00 C ATOM 1236 O PHE A 79 -20.397 14.544 9.911 1.00 0.00 O ATOM 1237 CB PHE A 79 -19.132 16.498 11.743 1.00 0.00 C ATOM 1238 CG PHE A 79 -17.945 15.663 11.357 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -16.966 16.173 10.520 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -17.808 14.368 11.831 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -15.871 15.408 10.163 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -16.715 13.599 11.478 1.00 0.00 C ATOM 1243 CZ PHE A 79 -15.747 14.119 10.642 1.00 0.00 C ATOM 0 H PHE A 79 -21.979 16.280 11.188 1.00 0.00 H new ATOM 0 HA PHE A 79 -19.680 17.722 10.065 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -18.782 17.427 12.193 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -19.705 15.970 12.505 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -17.059 17.180 10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -18.563 13.955 12.483 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.114 15.818 9.511 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -16.618 12.592 11.856 1.00 0.00 H new ATOM 0 HZ PHE A 79 -14.894 13.518 10.363 1.00 0.00 H new ATOM 1253 N LYS A 80 -19.678 15.973 8.330 1.00 0.00 N ATOM 1254 CA LYS A 80 -19.637 14.963 7.279 1.00 0.00 C ATOM 1255 C LYS A 80 -18.380 15.115 6.428 1.00 0.00 C ATOM 1256 O LYS A 80 -17.917 16.229 6.182 1.00 0.00 O ATOM 1257 CB LYS A 80 -20.880 15.067 6.394 1.00 0.00 C ATOM 1258 CG LYS A 80 -22.070 14.285 6.923 1.00 0.00 C ATOM 1259 CD LYS A 80 -23.204 14.243 5.912 1.00 0.00 C ATOM 1260 CE LYS A 80 -22.908 13.268 4.783 1.00 0.00 C ATOM 1261 NZ LYS A 80 -24.100 13.041 3.919 1.00 0.00 N ATOM 0 H LYS A 80 -19.394 16.905 8.029 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.618 13.982 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -21.160 16.116 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -20.635 14.708 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -21.760 13.269 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -22.423 14.740 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -24.128 13.953 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -23.364 15.240 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -22.088 13.653 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -22.577 12.318 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -23.857 12.371 3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -24.875 12.650 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -24.401 13.943 3.499 1.00 0.00 H new ATOM 1275 N GLN A 81 -17.834 13.989 5.981 1.00 0.00 N ATOM 1276 CA GLN A 81 -16.631 13.998 5.156 1.00 0.00 C ATOM 1277 C GLN A 81 -16.745 15.031 4.040 1.00 0.00 C ATOM 1278 O GLN A 81 -15.863 15.871 3.867 1.00 0.00 O ATOM 1279 CB GLN A 81 -16.384 12.611 4.562 1.00 0.00 C ATOM 1280 CG GLN A 81 -15.592 11.690 5.475 1.00 0.00 C ATOM 1281 CD GLN A 81 -14.110 12.012 5.486 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -13.721 12.981 6.305 1.00 0.00 O flip ATOM 1283 NE2 GLN A 81 -13.324 11.397 4.765 1.00 0.00 N flip ATOM 0 H GLN A 81 -18.205 13.059 6.176 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.787 14.268 5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.343 12.146 4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.851 12.719 3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.984 11.765 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.733 10.658 5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.667 10.659 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.330 11.626 4.783 1.00 0.00 H new ATOM 1292 N GLU A 82 -17.837 14.961 3.285 1.00 0.00 N ATOM 1293 CA GLU A 82 -18.064 15.889 2.183 1.00 0.00 C ATOM 1294 C GLU A 82 -16.772 16.149 1.415 1.00 0.00 C ATOM 1295 O GLU A 82 -16.441 17.293 1.104 1.00 0.00 O ATOM 1296 CB GLU A 82 -18.632 17.209 2.709 1.00 0.00 C ATOM 1297 CG GLU A 82 -19.535 17.922 1.717 1.00 0.00 C ATOM 1298 CD GLU A 82 -18.779 18.446 0.511 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -18.387 17.625 -0.345 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -18.579 19.675 0.424 1.00 0.00 O ATOM 0 H GLU A 82 -18.578 14.272 3.416 1.00 0.00 H new ATOM 0 HA GLU A 82 -18.785 15.436 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -19.193 17.015 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.807 17.869 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -20.314 17.237 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -20.034 18.752 2.217 1.00 0.00 H new ATOM 1307 N SER A 83 -16.044 15.078 1.113 1.00 0.00 N ATOM 1308 CA SER A 83 -14.786 15.189 0.386 1.00 0.00 C ATOM 1309 C SER A 83 -14.846 16.323 -0.634 1.00 0.00 C ATOM 1310 O SER A 83 -15.713 16.343 -1.506 1.00 0.00 O ATOM 1311 CB SER A 83 -14.461 13.871 -0.319 1.00 0.00 C ATOM 1312 OG SER A 83 -15.290 13.682 -1.453 1.00 0.00 O ATOM 0 H SER A 83 -16.305 14.124 1.361 1.00 0.00 H new ATOM 0 HA SER A 83 -13.998 15.412 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.415 13.867 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.594 13.041 0.375 1.00 0.00 H new ATOM 0 HG SER A 83 -15.641 14.548 -1.750 1.00 0.00 H new ATOM 1318 N GLY A 84 -13.916 17.266 -0.517 1.00 0.00 N ATOM 1319 CA GLY A 84 -13.881 18.391 -1.433 1.00 0.00 C ATOM 1320 C GLY A 84 -13.685 17.959 -2.873 1.00 0.00 C ATOM 1321 O GLY A 84 -13.758 16.775 -3.204 1.00 0.00 O ATOM 0 H GLY A 84 -13.186 17.271 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.811 18.953 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.074 19.065 -1.146 1.00 0.00 H new ATOM 1325 N PRO A 85 -13.431 18.934 -3.758 1.00 0.00 N ATOM 1326 CA PRO A 85 -13.221 18.673 -5.185 1.00 0.00 C ATOM 1327 C PRO A 85 -11.904 17.952 -5.454 1.00 0.00 C ATOM 1328 O PRO A 85 -10.876 18.273 -4.857 1.00 0.00 O ATOM 1329 CB PRO A 85 -13.199 20.073 -5.803 1.00 0.00 C ATOM 1330 CG PRO A 85 -12.772 20.971 -4.693 1.00 0.00 C ATOM 1331 CD PRO A 85 -13.330 20.367 -3.434 1.00 0.00 C ATOM 0 HA PRO A 85 -13.992 18.022 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -12.506 20.124 -6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.181 20.353 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.685 21.041 -4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.150 21.982 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.675 20.541 -2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.302 20.791 -3.181 1.00 0.00 H new ATOM 1339 N SER A 86 -11.942 16.977 -6.357 1.00 0.00 N ATOM 1340 CA SER A 86 -10.752 16.209 -6.703 1.00 0.00 C ATOM 1341 C SER A 86 -9.748 17.073 -7.460 1.00 0.00 C ATOM 1342 O SER A 86 -9.764 17.128 -8.689 1.00 0.00 O ATOM 1343 CB SER A 86 -11.133 14.991 -7.547 1.00 0.00 C ATOM 1344 OG SER A 86 -11.744 15.385 -8.763 1.00 0.00 O ATOM 0 H SER A 86 -12.784 16.701 -6.862 1.00 0.00 H new ATOM 0 HA SER A 86 -10.287 15.870 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.243 14.398 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.814 14.353 -6.984 1.00 0.00 H new ATOM 0 HG SER A 86 -11.240 16.128 -9.156 1.00 0.00 H new ATOM 1350 N SER A 87 -8.877 17.746 -6.716 1.00 0.00 N ATOM 1351 CA SER A 87 -7.867 18.611 -7.315 1.00 0.00 C ATOM 1352 C SER A 87 -7.327 18.001 -8.605 1.00 0.00 C ATOM 1353 O SER A 87 -7.155 18.693 -9.608 1.00 0.00 O ATOM 1354 CB SER A 87 -6.721 18.850 -6.331 1.00 0.00 C ATOM 1355 OG SER A 87 -5.883 17.711 -6.238 1.00 0.00 O ATOM 0 H SER A 87 -8.850 17.709 -5.697 1.00 0.00 H new ATOM 0 HA SER A 87 -8.336 19.566 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.135 19.711 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.126 19.089 -5.348 1.00 0.00 H new ATOM 0 HG SER A 87 -5.157 17.890 -5.604 1.00 0.00 H new ATOM 1361 N GLY A 88 -7.059 16.699 -8.571 1.00 0.00 N ATOM 1362 CA GLY A 88 -6.541 16.017 -9.742 1.00 0.00 C ATOM 1363 C GLY A 88 -5.047 15.776 -9.658 1.00 0.00 C ATOM 1364 O GLY A 88 -4.329 16.634 -9.147 1.00 0.00 O ATOM 0 H GLY A 88 -7.192 16.105 -7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.054 15.062 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.761 16.609 -10.631 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.863 -4.785 4.622 1.00 0.00 ZN