USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 747 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 51 HIS : no HD1:sc= -8.51! C(o=-10!,f=-7.3!) USER MOD Set 1.2: A 52 CYS SG : rot 160:sc= -1.56 USER MOD Set 2.1: A 29 HIS : no HE2:sc= -6.21! C(o=-6.4!,f=-5.8!) USER MOD Set 2.2: A 49 TYR OH : rot 19:sc= -0.191 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.112 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -73:sc= 1.15 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 14:sc= 0.572 USER MOD Single : A 36 ASN : amide:sc= -4.07 K(o=-4.1,f=-1.3) USER MOD Single : A 37 SER OG : rot 180:sc= -1.18! USER MOD Single : A 38 ASN : amide:sc= -3.73 K(o=-3.7,f=-8.3!) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= 1.07 (180deg=-0.0359!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.27! K(o=-2.3!,f=-0.72) USER MOD Single : A 47 SER OG : rot -19:sc= 1.07 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.026) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.61 USER MOD Single : A 74 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.014) USER MOD Single : A 81 SER OG : rot 58:sc= 1.25 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0581 X(o=-0.058,f=-0.51) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.654 -6.968 22.968 1.00 0.00 N ATOM 2 CA GLY A 1 -3.985 -8.091 23.603 1.00 0.00 C ATOM 3 C GLY A 1 -2.489 -7.815 23.768 1.00 0.00 C ATOM 4 O GLY A 1 -1.690 -8.167 22.901 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.667 -7.179 22.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.534 -6.117 23.553 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.240 -6.803 22.028 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.433 -8.282 24.578 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.129 -8.991 23.004 1.00 0.00 H new ATOM 8 N SER A 2 -2.155 -7.187 24.886 1.00 0.00 N ATOM 9 CA SER A 2 -0.769 -6.860 25.175 1.00 0.00 C ATOM 10 C SER A 2 -0.086 -6.317 23.918 1.00 0.00 C ATOM 11 O SER A 2 0.654 -7.036 23.250 1.00 0.00 O ATOM 12 CB SER A 2 -0.014 -8.081 25.704 1.00 0.00 C ATOM 13 OG SER A 2 1.307 -7.751 26.125 1.00 0.00 O ATOM 0 H SER A 2 -2.820 -6.896 25.602 1.00 0.00 H new ATOM 0 HA SER A 2 -0.753 -6.093 25.949 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.564 -8.513 26.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.033 -8.843 24.926 1.00 0.00 H new ATOM 0 HG SER A 2 1.755 -8.557 26.457 1.00 0.00 H new ATOM 19 N SER A 3 -0.360 -5.052 23.635 1.00 0.00 N ATOM 20 CA SER A 3 0.218 -4.404 22.470 1.00 0.00 C ATOM 21 C SER A 3 -0.332 -5.038 21.191 1.00 0.00 C ATOM 22 O SER A 3 0.176 -6.060 20.732 1.00 0.00 O ATOM 23 CB SER A 3 1.746 -4.493 22.492 1.00 0.00 C ATOM 24 OG SER A 3 2.356 -3.206 22.475 1.00 0.00 O ATOM 0 H SER A 3 -0.975 -4.459 24.192 1.00 0.00 H new ATOM 0 HA SER A 3 -0.058 -3.350 22.493 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.065 -5.033 23.383 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.088 -5.068 21.631 1.00 0.00 H new ATOM 0 HG SER A 3 3.331 -3.306 22.492 1.00 0.00 H new ATOM 30 N GLY A 4 -1.364 -4.405 20.652 1.00 0.00 N ATOM 31 CA GLY A 4 -1.989 -4.895 19.435 1.00 0.00 C ATOM 32 C GLY A 4 -3.514 -4.830 19.537 1.00 0.00 C ATOM 33 O GLY A 4 -4.054 -4.392 20.553 1.00 0.00 O ATOM 0 H GLY A 4 -1.783 -3.558 21.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.652 -4.302 18.585 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.677 -5.923 19.250 1.00 0.00 H new ATOM 37 N SER A 5 -4.166 -5.272 18.472 1.00 0.00 N ATOM 38 CA SER A 5 -5.619 -5.269 18.430 1.00 0.00 C ATOM 39 C SER A 5 -6.106 -5.946 17.147 1.00 0.00 C ATOM 40 O SER A 5 -5.344 -6.097 16.193 1.00 0.00 O ATOM 41 CB SER A 5 -6.170 -3.845 18.521 1.00 0.00 C ATOM 42 OG SER A 5 -7.474 -3.813 19.094 1.00 0.00 O ATOM 0 H SER A 5 -3.716 -5.635 17.632 1.00 0.00 H new ATOM 0 HA SER A 5 -5.987 -5.827 19.291 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.496 -3.233 19.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.201 -3.404 17.525 1.00 0.00 H new ATOM 0 HG SER A 5 -7.790 -2.886 19.136 1.00 0.00 H new ATOM 48 N SER A 6 -7.372 -6.335 17.165 1.00 0.00 N ATOM 49 CA SER A 6 -7.970 -6.991 16.014 1.00 0.00 C ATOM 50 C SER A 6 -9.391 -6.468 15.793 1.00 0.00 C ATOM 51 O SER A 6 -9.989 -5.885 16.696 1.00 0.00 O ATOM 52 CB SER A 6 -7.985 -8.511 16.194 1.00 0.00 C ATOM 53 OG SER A 6 -9.092 -8.944 16.980 1.00 0.00 O ATOM 0 H SER A 6 -8.001 -6.209 17.958 1.00 0.00 H new ATOM 0 HA SER A 6 -7.365 -6.762 15.136 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.024 -8.992 15.216 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.057 -8.829 16.669 1.00 0.00 H new ATOM 0 HG SER A 6 -9.067 -9.919 17.071 1.00 0.00 H new ATOM 59 N GLY A 7 -9.889 -6.696 14.587 1.00 0.00 N ATOM 60 CA GLY A 7 -11.229 -6.256 14.236 1.00 0.00 C ATOM 61 C GLY A 7 -11.209 -5.397 12.970 1.00 0.00 C ATOM 62 O GLY A 7 -10.149 -4.945 12.538 1.00 0.00 O ATOM 0 H GLY A 7 -9.389 -7.179 13.841 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.872 -7.123 14.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.656 -5.685 15.061 1.00 0.00 H new ATOM 66 N VAL A 8 -12.393 -5.197 12.410 1.00 0.00 N ATOM 67 CA VAL A 8 -12.525 -4.400 11.202 1.00 0.00 C ATOM 68 C VAL A 8 -13.849 -3.634 11.244 1.00 0.00 C ATOM 69 O VAL A 8 -14.920 -4.238 11.252 1.00 0.00 O ATOM 70 CB VAL A 8 -12.390 -5.294 9.968 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.932 -5.386 9.514 1.00 0.00 C ATOM 72 CG2 VAL A 8 -12.971 -6.685 10.232 1.00 0.00 C ATOM 0 H VAL A 8 -13.270 -5.573 12.771 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.725 -3.663 11.141 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.964 -4.839 9.161 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.864 -6.027 8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.565 -4.390 9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.327 -5.806 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.862 -7.300 9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.438 -7.151 11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.028 -6.596 10.485 1.00 0.00 H new ATOM 82 N SER A 9 -13.731 -2.314 11.269 1.00 0.00 N ATOM 83 CA SER A 9 -14.906 -1.459 11.309 1.00 0.00 C ATOM 84 C SER A 9 -14.493 0.005 11.144 1.00 0.00 C ATOM 85 O SER A 9 -13.691 0.519 11.922 1.00 0.00 O ATOM 86 CB SER A 9 -15.680 -1.648 12.615 1.00 0.00 C ATOM 87 OG SER A 9 -16.812 -0.787 12.694 1.00 0.00 O ATOM 0 H SER A 9 -12.841 -1.816 11.262 1.00 0.00 H new ATOM 0 HA SER A 9 -15.562 -1.740 10.485 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.007 -2.685 12.696 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.018 -1.455 13.460 1.00 0.00 H new ATOM 0 HG SER A 9 -17.280 -0.939 13.541 1.00 0.00 H new ATOM 93 N GLY A 10 -15.060 0.634 10.125 1.00 0.00 N ATOM 94 CA GLY A 10 -14.761 2.029 9.847 1.00 0.00 C ATOM 95 C GLY A 10 -13.268 2.226 9.572 1.00 0.00 C ATOM 96 O GLY A 10 -12.456 1.358 9.889 1.00 0.00 O ATOM 0 H GLY A 10 -15.725 0.204 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.340 2.364 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.063 2.645 10.694 1.00 0.00 H new ATOM 100 N ARG A 11 -12.953 3.372 8.987 1.00 0.00 N ATOM 101 CA ARG A 11 -11.573 3.693 8.666 1.00 0.00 C ATOM 102 C ARG A 11 -11.256 5.134 9.071 1.00 0.00 C ATOM 103 O ARG A 11 -12.064 6.036 8.855 1.00 0.00 O ATOM 104 CB ARG A 11 -11.301 3.520 7.170 1.00 0.00 C ATOM 105 CG ARG A 11 -12.283 4.343 6.335 1.00 0.00 C ATOM 106 CD ARG A 11 -12.914 3.490 5.233 1.00 0.00 C ATOM 107 NE ARG A 11 -13.691 4.349 4.311 1.00 0.00 N ATOM 108 CZ ARG A 11 -14.880 4.889 4.609 1.00 0.00 C ATOM 109 NH1 ARG A 11 -15.437 4.664 5.807 1.00 0.00 N ATOM 110 NH2 ARG A 11 -15.513 5.656 3.711 1.00 0.00 N ATOM 0 H ARG A 11 -13.630 4.090 8.727 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.935 3.006 9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.280 3.828 6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.383 2.467 6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.064 4.747 6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.765 5.193 5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.137 2.960 4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.564 2.734 5.674 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.296 4.542 3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.955 4.081 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.342 5.075 6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.089 5.829 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.418 6.067 3.939 1.00 0.00 H new ATOM 124 N GLU A 12 -10.078 5.306 9.652 1.00 0.00 N ATOM 125 CA GLU A 12 -9.644 6.622 10.089 1.00 0.00 C ATOM 126 C GLU A 12 -8.139 6.618 10.369 1.00 0.00 C ATOM 127 O GLU A 12 -7.523 5.558 10.458 1.00 0.00 O ATOM 128 CB GLU A 12 -10.429 7.077 11.321 1.00 0.00 C ATOM 129 CG GLU A 12 -11.590 7.991 10.923 1.00 0.00 C ATOM 130 CD GLU A 12 -11.351 9.423 11.407 1.00 0.00 C ATOM 131 OE1 GLU A 12 -10.986 9.567 12.594 1.00 0.00 O ATOM 132 OE2 GLU A 12 -11.538 10.340 10.579 1.00 0.00 O ATOM 0 H GLU A 12 -9.410 4.556 9.830 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.844 7.334 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.812 6.207 11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.765 7.604 12.006 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.708 7.984 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.519 7.610 11.347 1.00 0.00 H new ATOM 139 N PRO A 13 -7.577 7.849 10.505 1.00 0.00 N ATOM 140 CA PRO A 13 -6.157 7.998 10.773 1.00 0.00 C ATOM 141 C PRO A 13 -5.835 7.653 12.228 1.00 0.00 C ATOM 142 O PRO A 13 -5.949 8.501 13.111 1.00 0.00 O ATOM 143 CB PRO A 13 -5.840 9.443 10.421 1.00 0.00 C ATOM 144 CG PRO A 13 -7.173 10.173 10.413 1.00 0.00 C ATOM 145 CD PRO A 13 -8.276 9.127 10.406 1.00 0.00 C ATOM 0 HA PRO A 13 -5.544 7.315 10.185 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.159 9.882 11.150 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.352 9.510 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.262 10.816 11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.251 10.816 9.536 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.961 9.269 11.242 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.870 9.184 9.494 1.00 0.00 H new ATOM 153 N SER A 14 -5.437 6.406 12.433 1.00 0.00 N ATOM 154 CA SER A 14 -5.097 5.938 13.766 1.00 0.00 C ATOM 155 C SER A 14 -3.649 5.446 13.794 1.00 0.00 C ATOM 156 O SER A 14 -3.002 5.348 12.752 1.00 0.00 O ATOM 157 CB SER A 14 -6.045 4.824 14.217 1.00 0.00 C ATOM 158 OG SER A 14 -6.608 5.089 15.499 1.00 0.00 O ATOM 0 H SER A 14 -5.342 5.705 11.698 1.00 0.00 H new ATOM 0 HA SER A 14 -5.204 6.772 14.459 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.845 4.711 13.486 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.505 3.878 14.247 1.00 0.00 H new ATOM 0 HG SER A 14 -7.208 4.356 15.750 1.00 0.00 H new ATOM 164 N SER A 15 -3.182 5.150 14.998 1.00 0.00 N ATOM 165 CA SER A 15 -1.821 4.671 15.176 1.00 0.00 C ATOM 166 C SER A 15 -0.828 5.709 14.651 1.00 0.00 C ATOM 167 O SER A 15 -1.195 6.584 13.868 1.00 0.00 O ATOM 168 CB SER A 15 -1.613 3.331 14.467 1.00 0.00 C ATOM 169 OG SER A 15 -2.846 2.662 14.216 1.00 0.00 O ATOM 0 H SER A 15 -3.721 5.232 15.860 1.00 0.00 H new ATOM 0 HA SER A 15 -1.648 4.519 16.241 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.092 3.497 13.524 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.973 2.694 15.077 1.00 0.00 H new ATOM 0 HG SER A 15 -2.670 1.812 13.761 1.00 0.00 H new ATOM 175 N ARG A 16 0.411 5.577 15.102 1.00 0.00 N ATOM 176 CA ARG A 16 1.460 6.493 14.687 1.00 0.00 C ATOM 177 C ARG A 16 1.748 6.329 13.194 1.00 0.00 C ATOM 178 O ARG A 16 2.058 5.231 12.734 1.00 0.00 O ATOM 179 CB ARG A 16 2.747 6.250 15.478 1.00 0.00 C ATOM 180 CG ARG A 16 3.404 7.573 15.876 1.00 0.00 C ATOM 181 CD ARG A 16 4.552 7.923 14.926 1.00 0.00 C ATOM 182 NE ARG A 16 5.703 8.446 15.695 1.00 0.00 N ATOM 183 CZ ARG A 16 6.883 8.774 15.151 1.00 0.00 C ATOM 184 NH1 ARG A 16 7.075 8.636 13.832 1.00 0.00 N ATOM 185 NH2 ARG A 16 7.871 9.241 15.926 1.00 0.00 N ATOM 0 H ARG A 16 0.712 4.850 15.751 1.00 0.00 H new ATOM 0 HA ARG A 16 1.112 7.507 14.883 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.524 5.667 16.372 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.441 5.661 14.878 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.661 8.370 15.863 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.780 7.504 16.897 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.852 7.039 14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.221 8.666 14.200 1.00 0.00 H new ATOM 0 HE ARG A 16 5.591 8.564 16.702 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.323 8.281 13.242 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.973 8.886 13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.725 9.347 16.930 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.769 9.491 15.512 1.00 0.00 H new ATOM 199 N ILE A 17 1.635 7.438 12.477 1.00 0.00 N ATOM 200 CA ILE A 17 1.879 7.431 11.044 1.00 0.00 C ATOM 201 C ILE A 17 3.387 7.478 10.788 1.00 0.00 C ATOM 202 O ILE A 17 4.154 7.899 11.653 1.00 0.00 O ATOM 203 CB ILE A 17 1.104 8.561 10.363 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.335 8.626 10.877 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.164 8.426 8.840 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.132 7.397 10.435 1.00 0.00 C ATOM 0 H ILE A 17 1.378 8.347 12.861 1.00 0.00 H new ATOM 0 HA ILE A 17 1.508 6.508 10.599 1.00 0.00 H new ATOM 0 HB ILE A 17 1.581 9.507 10.621 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.334 8.691 11.965 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.817 9.530 10.505 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.605 9.241 8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.203 8.467 8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.727 7.473 8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.151 7.469 10.814 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.152 7.349 9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.661 6.497 10.829 1.00 0.00 H new ATOM 218 N ILE A 18 3.766 7.039 9.597 1.00 0.00 N ATOM 219 CA ILE A 18 5.168 7.026 9.217 1.00 0.00 C ATOM 220 C ILE A 18 5.298 7.440 7.749 1.00 0.00 C ATOM 221 O ILE A 18 4.358 7.284 6.971 1.00 0.00 O ATOM 222 CB ILE A 18 5.796 5.666 9.529 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.931 4.526 8.988 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.066 5.519 11.028 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.763 3.260 8.772 1.00 0.00 C ATOM 0 H ILE A 18 3.127 6.690 8.883 1.00 0.00 H new ATOM 0 HA ILE A 18 5.728 7.753 9.805 1.00 0.00 H new ATOM 0 HB ILE A 18 6.759 5.609 9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.120 4.318 9.686 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.472 4.828 8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.512 4.544 11.223 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.750 6.303 11.353 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.128 5.605 11.577 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.124 2.466 8.387 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.558 3.465 8.055 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.201 2.946 9.720 1.00 0.00 H new ATOM 237 N ARG A 19 6.471 7.959 7.416 1.00 0.00 N ATOM 238 CA ARG A 19 6.736 8.396 6.056 1.00 0.00 C ATOM 239 C ARG A 19 7.372 7.263 5.248 1.00 0.00 C ATOM 240 O ARG A 19 8.561 6.984 5.394 1.00 0.00 O ATOM 241 CB ARG A 19 7.666 9.610 6.039 1.00 0.00 C ATOM 242 CG ARG A 19 7.986 10.037 4.605 1.00 0.00 C ATOM 243 CD ARG A 19 8.964 11.213 4.587 1.00 0.00 C ATOM 244 NE ARG A 19 8.324 12.393 3.964 1.00 0.00 N ATOM 245 CZ ARG A 19 8.885 13.609 3.905 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.101 13.812 4.431 1.00 0.00 N ATOM 247 NH2 ARG A 19 8.231 14.621 3.319 1.00 0.00 N ATOM 0 H ARG A 19 7.248 8.087 8.064 1.00 0.00 H new ATOM 0 HA ARG A 19 5.783 8.676 5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.199 10.438 6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.590 9.372 6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.413 9.196 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.066 10.317 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.276 11.453 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.862 10.941 4.033 1.00 0.00 H new ATOM 0 HE ARG A 19 7.398 12.273 3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.599 13.041 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.528 14.737 4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.306 14.466 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.658 15.546 3.274 1.00 0.00 H new ATOM 261 N VAL A 20 6.552 6.642 4.413 1.00 0.00 N ATOM 262 CA VAL A 20 7.020 5.545 3.582 1.00 0.00 C ATOM 263 C VAL A 20 7.157 6.029 2.137 1.00 0.00 C ATOM 264 O VAL A 20 6.215 6.581 1.571 1.00 0.00 O ATOM 265 CB VAL A 20 6.083 4.344 3.724 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.624 3.133 2.962 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.845 4.005 5.197 1.00 0.00 C ATOM 0 H VAL A 20 5.567 6.877 4.294 1.00 0.00 H new ATOM 0 HA VAL A 20 8.005 5.212 3.908 1.00 0.00 H new ATOM 0 HB VAL A 20 5.123 4.614 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.939 2.293 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.717 3.380 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.602 2.861 3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.176 3.148 5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.796 3.764 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.394 4.861 5.699 1.00 0.00 H new ATOM 277 N SER A 21 8.339 5.804 1.581 1.00 0.00 N ATOM 278 CA SER A 21 8.612 6.210 0.213 1.00 0.00 C ATOM 279 C SER A 21 8.099 5.147 -0.760 1.00 0.00 C ATOM 280 O SER A 21 8.641 4.046 -0.824 1.00 0.00 O ATOM 281 CB SER A 21 10.107 6.450 -0.002 1.00 0.00 C ATOM 282 OG SER A 21 10.530 7.701 0.532 1.00 0.00 O ATOM 0 H SER A 21 9.118 5.346 2.053 1.00 0.00 H new ATOM 0 HA SER A 21 8.091 7.148 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.674 5.646 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.329 6.417 -1.069 1.00 0.00 H new ATOM 0 HG SER A 21 11.491 7.815 0.376 1.00 0.00 H new ATOM 288 N VAL A 22 7.058 5.515 -1.494 1.00 0.00 N ATOM 289 CA VAL A 22 6.466 4.607 -2.461 1.00 0.00 C ATOM 290 C VAL A 22 7.145 4.801 -3.819 1.00 0.00 C ATOM 291 O VAL A 22 7.115 5.895 -4.381 1.00 0.00 O ATOM 292 CB VAL A 22 4.951 4.815 -2.515 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.347 4.130 -3.742 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.284 4.324 -1.228 1.00 0.00 C ATOM 0 H VAL A 22 6.610 6.430 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 22 6.628 3.572 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 22 4.762 5.885 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.269 4.293 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.789 4.548 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.551 3.060 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.208 4.483 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.486 3.261 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.682 4.877 -0.378 1.00 0.00 H new ATOM 304 N LYS A 23 7.741 3.723 -4.306 1.00 0.00 N ATOM 305 CA LYS A 23 8.426 3.761 -5.587 1.00 0.00 C ATOM 306 C LYS A 23 7.524 3.149 -6.661 1.00 0.00 C ATOM 307 O LYS A 23 7.175 1.972 -6.588 1.00 0.00 O ATOM 308 CB LYS A 23 9.797 3.091 -5.481 1.00 0.00 C ATOM 309 CG LYS A 23 10.854 3.879 -6.257 1.00 0.00 C ATOM 310 CD LYS A 23 11.379 5.054 -5.429 1.00 0.00 C ATOM 311 CE LYS A 23 12.794 4.775 -4.918 1.00 0.00 C ATOM 312 NZ LYS A 23 13.733 5.814 -5.399 1.00 0.00 N ATOM 0 H LYS A 23 7.764 2.818 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 23 8.622 4.791 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.090 3.017 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.740 2.074 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.680 3.220 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.426 4.249 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.379 5.960 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.713 5.236 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.795 4.751 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.123 3.793 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.689 5.610 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.744 5.817 -6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.427 6.746 -5.053 1.00 0.00 H new ATOM 326 N THR A 24 7.171 3.977 -7.633 1.00 0.00 N ATOM 327 CA THR A 24 6.316 3.533 -8.721 1.00 0.00 C ATOM 328 C THR A 24 7.106 3.472 -10.030 1.00 0.00 C ATOM 329 O THR A 24 8.124 4.146 -10.176 1.00 0.00 O ATOM 330 CB THR A 24 5.107 4.468 -8.785 1.00 0.00 C ATOM 331 OG1 THR A 24 5.622 5.662 -9.366 1.00 0.00 O ATOM 332 CG2 THR A 24 4.631 4.904 -7.397 1.00 0.00 C ATOM 0 H THR A 24 7.461 4.953 -7.690 1.00 0.00 H new ATOM 0 HA THR A 24 5.953 2.520 -8.549 1.00 0.00 H new ATOM 0 HB THR A 24 4.291 3.971 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.185 6.127 -8.713 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.771 5.566 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.346 4.026 -6.818 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.436 5.431 -6.885 1.00 0.00 H new ATOM 340 N PRO A 25 6.594 2.635 -10.972 1.00 0.00 N ATOM 341 CA PRO A 25 7.241 2.477 -12.263 1.00 0.00 C ATOM 342 C PRO A 25 6.987 3.693 -13.156 1.00 0.00 C ATOM 343 O PRO A 25 6.408 3.567 -14.233 1.00 0.00 O ATOM 344 CB PRO A 25 6.668 1.190 -12.835 1.00 0.00 C ATOM 345 CG PRO A 25 5.389 0.923 -12.060 1.00 0.00 C ATOM 346 CD PRO A 25 5.391 1.820 -10.833 1.00 0.00 C ATOM 0 HA PRO A 25 8.326 2.414 -12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.465 1.293 -13.901 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.372 0.365 -12.723 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.517 1.128 -12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.332 -0.125 -11.766 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.495 2.440 -10.794 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.414 1.234 -9.914 1.00 0.00 H new ATOM 354 N GLN A 26 7.434 4.844 -12.675 1.00 0.00 N ATOM 355 CA GLN A 26 7.262 6.082 -13.415 1.00 0.00 C ATOM 356 C GLN A 26 7.806 7.263 -12.609 1.00 0.00 C ATOM 357 O GLN A 26 8.639 8.024 -13.099 1.00 0.00 O ATOM 358 CB GLN A 26 5.794 6.300 -13.786 1.00 0.00 C ATOM 359 CG GLN A 26 5.633 6.496 -15.295 1.00 0.00 C ATOM 360 CD GLN A 26 4.285 7.142 -15.623 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.175 8.339 -15.830 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.269 6.284 -15.659 1.00 0.00 N ATOM 0 H GLN A 26 7.915 4.945 -11.781 1.00 0.00 H new ATOM 0 HA GLN A 26 7.830 6.009 -14.343 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.202 5.444 -13.462 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.408 7.173 -13.259 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.442 7.122 -15.672 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.712 5.534 -15.801 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.431 5.294 -15.476 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.328 6.616 -15.870 1.00 0.00 H new ATOM 371 N ASP A 27 7.312 7.380 -11.385 1.00 0.00 N ATOM 372 CA ASP A 27 7.737 8.455 -10.505 1.00 0.00 C ATOM 373 C ASP A 27 7.870 7.919 -9.078 1.00 0.00 C ATOM 374 O ASP A 27 7.716 6.721 -8.845 1.00 0.00 O ATOM 375 CB ASP A 27 6.713 9.592 -10.490 1.00 0.00 C ATOM 376 CG ASP A 27 7.309 11.000 -10.556 1.00 0.00 C ATOM 377 OD1 ASP A 27 8.324 11.154 -11.269 1.00 0.00 O ATOM 378 OD2 ASP A 27 6.736 11.890 -9.891 1.00 0.00 O ATOM 0 H ASP A 27 6.621 6.747 -10.982 1.00 0.00 H new ATOM 0 HA ASP A 27 8.691 8.834 -10.872 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.035 9.461 -11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.114 9.509 -9.583 1.00 0.00 H new ATOM 383 N CYS A 28 8.154 8.832 -8.161 1.00 0.00 N ATOM 384 CA CYS A 28 8.309 8.466 -6.764 1.00 0.00 C ATOM 385 C CYS A 28 7.337 9.310 -5.936 1.00 0.00 C ATOM 386 O CYS A 28 7.162 10.499 -6.198 1.00 0.00 O ATOM 387 CB CYS A 28 9.755 8.634 -6.292 1.00 0.00 C ATOM 388 SG CYS A 28 10.142 10.409 -6.080 1.00 0.00 S ATOM 0 H CYS A 28 8.281 9.825 -8.358 1.00 0.00 H new ATOM 0 HA CYS A 28 8.074 7.410 -6.634 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.902 8.106 -5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.437 8.189 -7.017 1.00 0.00 H new ATOM 0 HG CYS A 28 9.040 11.098 -6.097 1.00 0.00 H new ATOM 394 N HIS A 29 6.731 8.661 -4.952 1.00 0.00 N ATOM 395 CA HIS A 29 5.781 9.337 -4.084 1.00 0.00 C ATOM 396 C HIS A 29 5.970 8.855 -2.644 1.00 0.00 C ATOM 397 O HIS A 29 6.476 7.758 -2.414 1.00 0.00 O ATOM 398 CB HIS A 29 4.351 9.146 -4.591 1.00 0.00 C ATOM 399 CG HIS A 29 3.480 10.371 -4.448 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.387 10.420 -3.601 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.553 11.592 -5.053 1.00 0.00 C ATOM 402 CE1 HIS A 29 1.834 11.620 -3.700 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.557 12.344 -4.600 1.00 0.00 N ATOM 0 H HIS A 29 6.879 7.675 -4.737 1.00 0.00 H new ATOM 0 HA HIS A 29 5.969 10.411 -4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.384 8.857 -5.642 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.891 8.320 -4.048 1.00 0.00 H new ATOM 0 HD1 HIS A 29 2.062 9.661 -3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.295 11.895 -5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.963 11.964 -3.162 1.00 0.00 H new ATOM 411 N GLU A 30 5.553 9.700 -1.712 1.00 0.00 N ATOM 412 CA GLU A 30 5.670 9.374 -0.301 1.00 0.00 C ATOM 413 C GLU A 30 4.298 9.439 0.374 1.00 0.00 C ATOM 414 O GLU A 30 3.610 10.455 0.293 1.00 0.00 O ATOM 415 CB GLU A 30 6.668 10.302 0.395 1.00 0.00 C ATOM 416 CG GLU A 30 6.182 11.752 0.364 1.00 0.00 C ATOM 417 CD GLU A 30 7.253 12.676 -0.219 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.525 12.537 -1.431 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.776 13.502 0.561 1.00 0.00 O ATOM 0 H GLU A 30 5.134 10.609 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 30 6.049 8.356 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.807 9.983 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.639 10.230 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.272 11.822 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.927 12.076 1.373 1.00 0.00 H new ATOM 426 N PHE A 31 3.942 8.341 1.025 1.00 0.00 N ATOM 427 CA PHE A 31 2.665 8.261 1.713 1.00 0.00 C ATOM 428 C PHE A 31 2.862 8.196 3.229 1.00 0.00 C ATOM 429 O PHE A 31 3.894 7.723 3.705 1.00 0.00 O ATOM 430 CB PHE A 31 1.984 6.973 1.244 1.00 0.00 C ATOM 431 CG PHE A 31 1.383 7.064 -0.160 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.199 7.118 -1.247 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.033 7.089 -0.322 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.641 7.202 -2.550 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.525 7.173 -1.625 1.00 0.00 C ATOM 436 CZ PHE A 31 0.291 7.227 -2.711 1.00 0.00 C ATOM 0 H PHE A 31 4.515 7.500 1.090 1.00 0.00 H new ATOM 0 HA PHE A 31 2.066 9.143 1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.711 6.161 1.265 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.195 6.713 1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.271 7.097 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.615 7.045 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.289 7.246 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.597 7.194 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.133 7.290 -3.702 1.00 0.00 H new ATOM 446 N PHE A 32 1.858 8.678 3.946 1.00 0.00 N ATOM 447 CA PHE A 32 1.908 8.681 5.398 1.00 0.00 C ATOM 448 C PHE A 32 0.688 7.971 5.990 1.00 0.00 C ATOM 449 O PHE A 32 -0.399 8.542 6.047 1.00 0.00 O ATOM 450 CB PHE A 32 1.897 10.145 5.843 1.00 0.00 C ATOM 451 CG PHE A 32 3.266 10.825 5.777 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.785 11.194 4.575 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.964 11.061 6.920 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.056 11.825 4.514 1.00 0.00 C ATOM 455 CE2 PHE A 32 5.234 11.692 6.859 1.00 0.00 C ATOM 456 CZ PHE A 32 5.753 12.061 5.658 1.00 0.00 C ATOM 0 H PHE A 32 1.004 9.070 3.548 1.00 0.00 H new ATOM 0 HA PHE A 32 2.801 8.158 5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.197 10.699 5.218 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.524 10.201 6.866 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.231 11.007 3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.552 10.768 7.874 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.469 12.117 3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.788 11.879 7.767 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.719 12.542 5.612 1.00 0.00 H new ATOM 466 N LEU A 33 0.911 6.736 6.416 1.00 0.00 N ATOM 467 CA LEU A 33 -0.156 5.943 7.001 1.00 0.00 C ATOM 468 C LEU A 33 0.371 5.229 8.248 1.00 0.00 C ATOM 469 O LEU A 33 1.580 5.140 8.452 1.00 0.00 O ATOM 470 CB LEU A 33 -0.755 4.997 5.958 1.00 0.00 C ATOM 471 CG LEU A 33 0.179 3.909 5.425 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.472 4.515 4.877 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.451 2.848 6.494 1.00 0.00 C ATOM 0 H LEU A 33 1.815 6.266 6.367 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.976 6.585 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.630 4.515 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.105 5.592 5.115 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.319 3.409 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.117 3.719 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.236 5.201 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.985 5.057 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.117 2.086 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.918 3.316 7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.489 2.385 6.795 1.00 0.00 H new ATOM 485 N ALA A 34 -0.564 4.739 9.049 1.00 0.00 N ATOM 486 CA ALA A 34 -0.209 4.036 10.270 1.00 0.00 C ATOM 487 C ALA A 34 0.987 3.122 9.998 1.00 0.00 C ATOM 488 O ALA A 34 1.044 2.459 8.963 1.00 0.00 O ATOM 489 CB ALA A 34 -1.426 3.265 10.788 1.00 0.00 C ATOM 0 H ALA A 34 -1.566 4.815 8.876 1.00 0.00 H new ATOM 0 HA ALA A 34 0.085 4.742 11.047 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.160 2.738 11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.238 3.962 10.994 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.748 2.545 10.035 1.00 0.00 H new ATOM 495 N GLU A 35 1.914 3.115 10.945 1.00 0.00 N ATOM 496 CA GLU A 35 3.105 2.293 10.820 1.00 0.00 C ATOM 497 C GLU A 35 2.760 0.820 11.047 1.00 0.00 C ATOM 498 O GLU A 35 3.418 -0.067 10.504 1.00 0.00 O ATOM 499 CB GLU A 35 4.195 2.756 11.789 1.00 0.00 C ATOM 500 CG GLU A 35 3.723 2.644 13.240 1.00 0.00 C ATOM 501 CD GLU A 35 4.809 2.028 14.124 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.457 1.073 13.645 1.00 0.00 O ATOM 503 OE2 GLU A 35 4.968 2.528 15.259 1.00 0.00 O ATOM 0 H GLU A 35 1.864 3.666 11.802 1.00 0.00 H new ATOM 0 HA GLU A 35 3.494 2.403 9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.092 2.154 11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.467 3.789 11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.459 3.632 13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.821 2.033 13.287 1.00 0.00 H new ATOM 510 N ASN A 36 1.729 0.603 11.851 1.00 0.00 N ATOM 511 CA ASN A 36 1.289 -0.747 12.156 1.00 0.00 C ATOM 512 C ASN A 36 0.146 -1.131 11.214 1.00 0.00 C ATOM 513 O ASN A 36 -0.275 -2.287 11.182 1.00 0.00 O ATOM 514 CB ASN A 36 0.771 -0.846 13.593 1.00 0.00 C ATOM 515 CG ASN A 36 1.446 0.192 14.491 1.00 0.00 C ATOM 516 OD1 ASN A 36 2.427 -0.075 15.165 1.00 0.00 O ATOM 517 ND2 ASN A 36 0.867 1.389 14.464 1.00 0.00 N ATOM 0 H ASN A 36 1.186 1.340 12.300 1.00 0.00 H new ATOM 0 HA ASN A 36 2.141 -1.416 12.033 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.309 -0.696 13.605 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.958 -1.846 13.983 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.242 2.150 15.030 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.047 1.546 13.877 1.00 0.00 H new ATOM 524 N SER A 37 -0.325 -0.141 10.471 1.00 0.00 N ATOM 525 CA SER A 37 -1.411 -0.360 9.531 1.00 0.00 C ATOM 526 C SER A 37 -1.069 -1.525 8.600 1.00 0.00 C ATOM 527 O SER A 37 -0.081 -1.471 7.869 1.00 0.00 O ATOM 528 CB SER A 37 -1.700 0.903 8.718 1.00 0.00 C ATOM 529 OG SER A 37 -3.040 1.354 8.891 1.00 0.00 O ATOM 0 H SER A 37 0.026 0.816 10.501 1.00 0.00 H new ATOM 0 HA SER A 37 -2.309 -0.607 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.010 1.692 9.017 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.518 0.704 7.662 1.00 0.00 H new ATOM 0 HG SER A 37 -3.184 2.163 8.357 1.00 0.00 H new ATOM 535 N ASN A 38 -1.906 -2.551 8.655 1.00 0.00 N ATOM 536 CA ASN A 38 -1.704 -3.726 7.825 1.00 0.00 C ATOM 537 C ASN A 38 -1.364 -3.287 6.400 1.00 0.00 C ATOM 538 O ASN A 38 -1.714 -2.182 5.987 1.00 0.00 O ATOM 539 CB ASN A 38 -2.971 -4.582 7.767 1.00 0.00 C ATOM 540 CG ASN A 38 -4.223 -3.705 7.707 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.465 -2.864 8.557 1.00 0.00 O ATOM 542 ND2 ASN A 38 -5.004 -3.948 6.657 1.00 0.00 N ATOM 0 H ASN A 38 -2.725 -2.593 9.261 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.893 -4.310 8.259 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.936 -5.232 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.017 -5.229 8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.864 -3.415 6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.742 -4.667 5.982 1.00 0.00 H new ATOM 549 N VAL A 39 -0.686 -4.175 5.687 1.00 0.00 N ATOM 550 CA VAL A 39 -0.295 -3.892 4.317 1.00 0.00 C ATOM 551 C VAL A 39 -1.532 -3.494 3.509 1.00 0.00 C ATOM 552 O VAL A 39 -1.537 -2.459 2.845 1.00 0.00 O ATOM 553 CB VAL A 39 0.444 -5.095 3.725 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.474 -5.022 2.197 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.858 -5.205 4.297 1.00 0.00 C ATOM 0 H VAL A 39 -0.398 -5.090 6.033 1.00 0.00 H new ATOM 0 HA VAL A 39 0.399 -3.052 4.284 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.102 -5.996 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.005 -5.888 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.546 -5.015 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.985 -4.111 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.361 -6.068 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.418 -4.300 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.804 -5.326 5.379 1.00 0.00 H new ATOM 565 N ARG A 40 -2.551 -4.337 3.594 1.00 0.00 N ATOM 566 CA ARG A 40 -3.791 -4.085 2.879 1.00 0.00 C ATOM 567 C ARG A 40 -4.123 -2.592 2.902 1.00 0.00 C ATOM 568 O ARG A 40 -4.237 -1.962 1.852 1.00 0.00 O ATOM 569 CB ARG A 40 -4.951 -4.869 3.497 1.00 0.00 C ATOM 570 CG ARG A 40 -5.703 -5.666 2.430 1.00 0.00 C ATOM 571 CD ARG A 40 -6.626 -6.705 3.071 1.00 0.00 C ATOM 572 NE ARG A 40 -8.038 -6.384 2.766 1.00 0.00 N ATOM 573 CZ ARG A 40 -8.638 -6.663 1.601 1.00 0.00 C ATOM 574 NH1 ARG A 40 -7.952 -7.271 0.623 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.924 -6.335 1.413 1.00 0.00 N ATOM 0 H ARG A 40 -2.543 -5.194 4.147 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.653 -4.413 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.570 -5.546 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.636 -4.181 3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.289 -4.988 1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.990 -6.164 1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.382 -7.700 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.473 -6.723 4.150 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.589 -5.921 3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.974 -7.521 0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.408 -7.484 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.446 -5.873 2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.380 -6.548 0.526 1.00 0.00 H new ATOM 589 N ARG A 41 -4.270 -2.070 4.111 1.00 0.00 N ATOM 590 CA ARG A 41 -4.588 -0.663 4.284 1.00 0.00 C ATOM 591 C ARG A 41 -3.667 0.200 3.418 1.00 0.00 C ATOM 592 O ARG A 41 -4.139 1.016 2.627 1.00 0.00 O ATOM 593 CB ARG A 41 -4.441 -0.241 5.748 1.00 0.00 C ATOM 594 CG ARG A 41 -5.665 -0.661 6.564 1.00 0.00 C ATOM 595 CD ARG A 41 -6.028 0.408 7.597 1.00 0.00 C ATOM 596 NE ARG A 41 -7.177 -0.045 8.413 1.00 0.00 N ATOM 597 CZ ARG A 41 -7.907 0.761 9.196 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.612 2.066 9.274 1.00 0.00 N ATOM 599 NH2 ARG A 41 -8.932 0.262 9.900 1.00 0.00 N ATOM 0 H ARG A 41 -4.175 -2.596 4.980 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.624 -0.517 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.544 -0.692 6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.313 0.840 5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.511 -0.830 5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.463 -1.606 7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.171 0.609 8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.275 1.343 7.094 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.429 -1.033 8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.832 2.445 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.168 2.680 9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.156 -0.731 9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.488 0.875 10.496 1.00 0.00 H new ATOM 613 N PHE A 42 -2.372 -0.010 3.597 1.00 0.00 N ATOM 614 CA PHE A 42 -1.381 0.738 2.841 1.00 0.00 C ATOM 615 C PHE A 42 -1.696 0.708 1.344 1.00 0.00 C ATOM 616 O PHE A 42 -1.588 1.727 0.663 1.00 0.00 O ATOM 617 CB PHE A 42 -0.031 0.060 3.080 1.00 0.00 C ATOM 618 CG PHE A 42 1.170 0.878 2.600 1.00 0.00 C ATOM 619 CD1 PHE A 42 0.982 2.120 2.078 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.425 0.364 2.695 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.096 2.880 1.633 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.539 1.123 2.249 1.00 0.00 C ATOM 623 CZ PHE A 42 3.351 2.365 1.728 1.00 0.00 C ATOM 0 H PHE A 42 -1.985 -0.687 4.254 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.376 1.779 3.163 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.080 -0.139 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.026 -0.905 2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.015 2.528 2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.575 -0.622 3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.947 3.866 1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.536 0.714 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.199 2.942 1.390 1.00 0.00 H new ATOM 633 N LYS A 43 -2.079 -0.471 0.876 1.00 0.00 N ATOM 634 CA LYS A 43 -2.411 -0.647 -0.527 1.00 0.00 C ATOM 635 C LYS A 43 -3.561 0.292 -0.897 1.00 0.00 C ATOM 636 O LYS A 43 -3.486 1.008 -1.895 1.00 0.00 O ATOM 637 CB LYS A 43 -2.698 -2.119 -0.830 1.00 0.00 C ATOM 638 CG LYS A 43 -1.423 -2.958 -0.726 1.00 0.00 C ATOM 639 CD LYS A 43 -1.755 -4.432 -0.484 1.00 0.00 C ATOM 640 CE LYS A 43 -1.353 -5.289 -1.686 1.00 0.00 C ATOM 641 NZ LYS A 43 -2.549 -5.885 -2.322 1.00 0.00 N ATOM 0 H LYS A 43 -2.167 -1.314 1.444 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.563 -0.376 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.445 -2.499 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.119 -2.213 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.842 -2.858 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.802 -2.583 0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.236 -4.784 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.823 -4.542 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.814 -4.679 -2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.673 -6.078 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.356 -6.060 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.780 -6.784 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.352 -5.231 -2.232 1.00 0.00 H new ATOM 655 N LYS A 44 -4.598 0.259 -0.073 1.00 0.00 N ATOM 656 CA LYS A 44 -5.762 1.099 -0.301 1.00 0.00 C ATOM 657 C LYS A 44 -5.307 2.539 -0.545 1.00 0.00 C ATOM 658 O LYS A 44 -5.711 3.164 -1.524 1.00 0.00 O ATOM 659 CB LYS A 44 -6.759 0.955 0.850 1.00 0.00 C ATOM 660 CG LYS A 44 -7.455 -0.406 0.806 1.00 0.00 C ATOM 661 CD LYS A 44 -8.519 -0.514 1.901 1.00 0.00 C ATOM 662 CE LYS A 44 -9.240 -1.862 1.834 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.495 -1.818 2.617 1.00 0.00 N ATOM 0 H LYS A 44 -4.657 -0.336 0.753 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.295 0.778 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.240 1.071 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.503 1.750 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.917 -0.551 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.718 -1.199 0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.053 -0.395 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.242 0.295 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.461 -2.112 0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.591 -2.648 2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.972 -2.741 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.277 -1.601 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.120 -1.082 2.231 1.00 0.00 H new ATOM 677 N GLN A 45 -4.472 3.024 0.362 1.00 0.00 N ATOM 678 CA GLN A 45 -3.957 4.379 0.258 1.00 0.00 C ATOM 679 C GLN A 45 -3.316 4.599 -1.113 1.00 0.00 C ATOM 680 O GLN A 45 -3.375 5.699 -1.661 1.00 0.00 O ATOM 681 CB GLN A 45 -2.963 4.676 1.382 1.00 0.00 C ATOM 682 CG GLN A 45 -3.447 5.841 2.248 1.00 0.00 C ATOM 683 CD GLN A 45 -2.314 6.835 2.512 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.460 8.037 2.360 1.00 0.00 O ATOM 685 NE2 GLN A 45 -1.180 6.269 2.914 1.00 0.00 N ATOM 0 H GLN A 45 -4.139 2.503 1.173 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.791 5.073 0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.832 3.788 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.988 4.915 0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.273 6.349 1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.830 5.460 3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.125 5.256 3.021 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.365 6.848 3.116 1.00 0.00 H new ATOM 694 N ILE A 46 -2.718 3.535 -1.629 1.00 0.00 N ATOM 695 CA ILE A 46 -2.066 3.598 -2.926 1.00 0.00 C ATOM 696 C ILE A 46 -3.129 3.613 -4.026 1.00 0.00 C ATOM 697 O ILE A 46 -3.014 4.363 -4.995 1.00 0.00 O ATOM 698 CB ILE A 46 -1.048 2.465 -3.070 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.061 2.462 -1.901 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.335 2.537 -4.422 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.550 1.074 -1.702 1.00 0.00 C ATOM 0 H ILE A 46 -2.671 2.624 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.495 4.522 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.586 1.517 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.730 3.188 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.571 2.773 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.383 1.721 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.068 2.452 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.188 3.489 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.248 1.100 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.242 0.355 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.080 0.777 -2.607 1.00 0.00 H new ATOM 713 N SER A 47 -4.139 2.777 -3.840 1.00 0.00 N ATOM 714 CA SER A 47 -5.222 2.684 -4.805 1.00 0.00 C ATOM 715 C SER A 47 -5.991 4.006 -4.856 1.00 0.00 C ATOM 716 O SER A 47 -6.652 4.306 -5.849 1.00 0.00 O ATOM 717 CB SER A 47 -6.168 1.532 -4.462 1.00 0.00 C ATOM 718 OG SER A 47 -6.988 1.831 -3.335 1.00 0.00 O ATOM 0 H SER A 47 -4.231 2.157 -3.035 1.00 0.00 H new ATOM 0 HA SER A 47 -4.791 2.483 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.800 1.314 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.586 0.633 -4.258 1.00 0.00 H new ATOM 0 HG SER A 47 -6.589 2.568 -2.827 1.00 0.00 H new ATOM 724 N LYS A 48 -5.881 4.760 -3.772 1.00 0.00 N ATOM 725 CA LYS A 48 -6.558 6.043 -3.681 1.00 0.00 C ATOM 726 C LYS A 48 -5.833 7.061 -4.563 1.00 0.00 C ATOM 727 O LYS A 48 -6.383 7.527 -5.560 1.00 0.00 O ATOM 728 CB LYS A 48 -6.688 6.477 -2.220 1.00 0.00 C ATOM 729 CG LYS A 48 -7.301 5.363 -1.369 1.00 0.00 C ATOM 730 CD LYS A 48 -8.640 5.802 -0.772 1.00 0.00 C ATOM 731 CE LYS A 48 -8.429 6.765 0.397 1.00 0.00 C ATOM 732 NZ LYS A 48 -9.404 6.491 1.477 1.00 0.00 N ATOM 0 H LYS A 48 -5.333 4.507 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.578 5.964 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.706 6.741 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.308 7.371 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.446 4.472 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.613 5.092 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.244 6.284 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.195 4.928 -0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.414 6.663 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.538 7.793 0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.247 7.154 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.370 6.611 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.281 5.516 1.817 1.00 0.00 H new ATOM 746 N TYR A 49 -4.610 7.377 -4.164 1.00 0.00 N ATOM 747 CA TYR A 49 -3.804 8.332 -4.905 1.00 0.00 C ATOM 748 C TYR A 49 -3.662 7.910 -6.369 1.00 0.00 C ATOM 749 O TYR A 49 -4.275 8.505 -7.253 1.00 0.00 O ATOM 750 CB TYR A 49 -2.423 8.320 -4.247 1.00 0.00 C ATOM 751 CG TYR A 49 -1.364 9.121 -5.007 1.00 0.00 C ATOM 752 CD1 TYR A 49 -1.220 10.473 -4.771 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.552 8.491 -5.929 1.00 0.00 C ATOM 754 CE1 TYR A 49 -0.224 11.227 -5.487 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.444 9.244 -6.644 1.00 0.00 C ATOM 756 CZ TYR A 49 0.559 10.575 -6.388 1.00 0.00 C ATOM 757 OH TYR A 49 1.501 11.287 -7.064 1.00 0.00 O ATOM 0 H TYR A 49 -4.157 6.988 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.266 9.319 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.510 8.719 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.085 7.288 -4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.854 10.966 -4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.664 7.433 -6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.101 12.286 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.086 8.763 -7.368 1.00 0.00 H new ATOM 0 HH TYR A 49 1.683 12.124 -6.588 1.00 0.00 H new ATOM 767 N LEU A 50 -2.849 6.885 -6.579 1.00 0.00 N ATOM 768 CA LEU A 50 -2.618 6.376 -7.920 1.00 0.00 C ATOM 769 C LEU A 50 -3.955 6.266 -8.657 1.00 0.00 C ATOM 770 O LEU A 50 -4.059 6.647 -9.822 1.00 0.00 O ATOM 771 CB LEU A 50 -1.836 5.062 -7.868 1.00 0.00 C ATOM 772 CG LEU A 50 -0.318 5.191 -7.718 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.207 6.408 -8.483 1.00 0.00 C ATOM 774 CD2 LEU A 50 0.087 5.222 -6.243 1.00 0.00 C ATOM 0 H LEU A 50 -2.342 6.393 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.996 7.068 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.215 4.469 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.045 4.501 -8.779 1.00 0.00 H new ATOM 0 HG LEU A 50 0.145 4.309 -8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.288 6.477 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.032 6.303 -9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.261 7.312 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.170 5.314 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.386 6.074 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.235 4.300 -5.758 1.00 0.00 H new ATOM 786 N HIS A 51 -4.944 5.744 -7.946 1.00 0.00 N ATOM 787 CA HIS A 51 -6.270 5.579 -8.518 1.00 0.00 C ATOM 788 C HIS A 51 -6.357 4.229 -9.231 1.00 0.00 C ATOM 789 O HIS A 51 -7.130 4.070 -10.174 1.00 0.00 O ATOM 790 CB HIS A 51 -6.617 6.756 -9.432 1.00 0.00 C ATOM 791 CG HIS A 51 -6.428 6.468 -10.902 1.00 0.00 C ATOM 792 ND1 HIS A 51 -7.131 7.131 -11.892 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.609 5.583 -11.539 1.00 0.00 C ATOM 794 CE1 HIS A 51 -6.745 6.658 -13.068 1.00 0.00 C ATOM 795 NE2 HIS A 51 -5.801 5.699 -12.847 1.00 0.00 N ATOM 0 H HIS A 51 -4.854 5.430 -6.980 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.016 5.579 -7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.654 7.044 -9.259 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.999 7.611 -9.157 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.920 4.903 -11.060 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.113 6.976 -14.032 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.322 5.160 -13.568 1.00 0.00 H new ATOM 803 N CYS A 52 -5.554 3.290 -8.752 1.00 0.00 N ATOM 804 CA CYS A 52 -5.531 1.958 -9.332 1.00 0.00 C ATOM 805 C CYS A 52 -6.412 1.046 -8.476 1.00 0.00 C ATOM 806 O CYS A 52 -7.187 1.524 -7.648 1.00 0.00 O ATOM 807 CB CYS A 52 -4.104 1.420 -9.456 1.00 0.00 C ATOM 808 SG CYS A 52 -3.047 2.642 -10.315 1.00 0.00 S ATOM 0 H CYS A 52 -4.915 3.425 -7.969 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.925 1.994 -10.347 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.699 1.208 -8.466 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.108 0.479 -10.007 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.798 2.397 -10.051 1.00 0.00 H new ATOM 814 N ASN A 53 -6.264 -0.251 -8.704 1.00 0.00 N ATOM 815 CA ASN A 53 -7.037 -1.234 -7.964 1.00 0.00 C ATOM 816 C ASN A 53 -6.123 -1.949 -6.966 1.00 0.00 C ATOM 817 O ASN A 53 -5.204 -2.663 -7.363 1.00 0.00 O ATOM 818 CB ASN A 53 -7.630 -2.288 -8.901 1.00 0.00 C ATOM 819 CG ASN A 53 -8.950 -1.805 -9.504 1.00 0.00 C ATOM 820 OD1 ASN A 53 -9.913 -1.522 -8.810 1.00 0.00 O ATOM 821 ND2 ASN A 53 -8.942 -1.727 -10.832 1.00 0.00 N ATOM 0 H ASN A 53 -5.620 -0.644 -9.391 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.845 -0.711 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.921 -2.510 -9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.794 -3.216 -8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.776 -1.415 -11.330 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.102 -1.979 -11.353 1.00 0.00 H new ATOM 828 N ALA A 54 -6.409 -1.732 -5.691 1.00 0.00 N ATOM 829 CA ALA A 54 -5.624 -2.346 -4.633 1.00 0.00 C ATOM 830 C ALA A 54 -5.497 -3.847 -4.905 1.00 0.00 C ATOM 831 O ALA A 54 -4.425 -4.424 -4.728 1.00 0.00 O ATOM 832 CB ALA A 54 -6.272 -2.052 -3.279 1.00 0.00 C ATOM 0 H ALA A 54 -7.173 -1.140 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.618 -1.928 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.683 -2.513 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.313 -0.974 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.283 -2.459 -3.263 1.00 0.00 H new ATOM 838 N ASP A 55 -6.605 -4.435 -5.330 1.00 0.00 N ATOM 839 CA ASP A 55 -6.631 -5.857 -5.628 1.00 0.00 C ATOM 840 C ASP A 55 -5.518 -6.185 -6.626 1.00 0.00 C ATOM 841 O ASP A 55 -5.025 -7.311 -6.663 1.00 0.00 O ATOM 842 CB ASP A 55 -7.965 -6.263 -6.257 1.00 0.00 C ATOM 843 CG ASP A 55 -8.550 -5.251 -7.244 1.00 0.00 C ATOM 844 OD1 ASP A 55 -8.985 -4.180 -6.767 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.550 -5.571 -8.452 1.00 0.00 O ATOM 0 H ASP A 55 -7.492 -3.953 -5.475 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.493 -6.400 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.832 -7.215 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.689 -6.430 -5.460 1.00 0.00 H new ATOM 850 N ARG A 56 -5.155 -5.180 -7.410 1.00 0.00 N ATOM 851 CA ARG A 56 -4.109 -5.348 -8.405 1.00 0.00 C ATOM 852 C ARG A 56 -2.806 -4.712 -7.917 1.00 0.00 C ATOM 853 O ARG A 56 -1.875 -4.519 -8.698 1.00 0.00 O ATOM 854 CB ARG A 56 -4.511 -4.713 -9.738 1.00 0.00 C ATOM 855 CG ARG A 56 -5.937 -5.108 -10.125 1.00 0.00 C ATOM 856 CD ARG A 56 -6.011 -6.585 -10.517 1.00 0.00 C ATOM 857 NE ARG A 56 -6.299 -7.411 -9.323 1.00 0.00 N ATOM 858 CZ ARG A 56 -6.075 -8.730 -9.251 1.00 0.00 C ATOM 859 NH1 ARG A 56 -5.558 -9.381 -10.301 1.00 0.00 N ATOM 860 NH2 ARG A 56 -6.368 -9.398 -8.127 1.00 0.00 N ATOM 0 H ARG A 56 -5.566 -4.247 -7.376 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.961 -6.418 -8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.437 -3.628 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.818 -5.028 -10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.610 -4.916 -9.290 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.276 -4.490 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.788 -6.732 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.069 -6.898 -10.968 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.692 -6.947 -8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.334 -8.873 -11.157 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.388 -10.385 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.761 -8.902 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.198 -10.402 -8.071 1.00 0.00 H new ATOM 874 N LEU A 57 -2.780 -4.405 -6.629 1.00 0.00 N ATOM 875 CA LEU A 57 -1.606 -3.796 -6.028 1.00 0.00 C ATOM 876 C LEU A 57 -0.862 -4.843 -5.197 1.00 0.00 C ATOM 877 O LEU A 57 -1.483 -5.704 -4.576 1.00 0.00 O ATOM 878 CB LEU A 57 -1.997 -2.546 -5.236 1.00 0.00 C ATOM 879 CG LEU A 57 -2.501 -1.360 -6.060 1.00 0.00 C ATOM 880 CD1 LEU A 57 -2.994 -0.231 -5.152 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.431 -0.880 -7.042 1.00 0.00 C ATOM 0 H LEU A 57 -3.554 -4.567 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.917 -3.454 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.772 -2.821 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.132 -2.220 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.354 -1.693 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.347 0.600 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.811 -0.596 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.176 0.108 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.815 -0.036 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.544 -0.570 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.170 -1.691 -7.721 1.00 0.00 H new ATOM 893 N VAL A 58 0.459 -4.734 -5.212 1.00 0.00 N ATOM 894 CA VAL A 58 1.294 -5.661 -4.468 1.00 0.00 C ATOM 895 C VAL A 58 2.302 -4.872 -3.629 1.00 0.00 C ATOM 896 O VAL A 58 2.838 -3.863 -4.084 1.00 0.00 O ATOM 897 CB VAL A 58 1.959 -6.651 -5.426 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.675 -7.763 -4.656 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.940 -7.233 -6.408 1.00 0.00 C ATOM 0 H VAL A 58 0.971 -4.018 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 58 0.689 -6.252 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 58 2.707 -6.107 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.139 -8.453 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.442 -7.327 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.954 -8.302 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.439 -7.934 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.158 -7.754 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.496 -6.427 -6.992 1.00 0.00 H new ATOM 909 N LEU A 59 2.529 -5.362 -2.419 1.00 0.00 N ATOM 910 CA LEU A 59 3.463 -4.715 -1.513 1.00 0.00 C ATOM 911 C LEU A 59 4.820 -5.417 -1.600 1.00 0.00 C ATOM 912 O LEU A 59 4.902 -6.636 -1.460 1.00 0.00 O ATOM 913 CB LEU A 59 2.886 -4.664 -0.097 1.00 0.00 C ATOM 914 CG LEU A 59 2.731 -3.270 0.514 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.086 -2.706 0.946 1.00 0.00 C ATOM 916 CD2 LEU A 59 1.998 -2.330 -0.446 1.00 0.00 C ATOM 0 H LEU A 59 2.082 -6.199 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 59 3.622 -3.677 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.908 -5.145 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.526 -5.256 0.557 1.00 0.00 H new ATOM 0 HG LEU A 59 2.118 -3.356 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.947 -1.714 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.534 -3.365 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.744 -2.636 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.901 -1.346 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.564 -2.244 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.007 -2.730 -0.661 1.00 0.00 H new ATOM 928 N ILE A 60 5.850 -4.617 -1.830 1.00 0.00 N ATOM 929 CA ILE A 60 7.199 -5.145 -1.937 1.00 0.00 C ATOM 930 C ILE A 60 8.165 -4.222 -1.192 1.00 0.00 C ATOM 931 O ILE A 60 8.450 -3.116 -1.649 1.00 0.00 O ATOM 932 CB ILE A 60 7.572 -5.370 -3.404 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.597 -6.339 -4.075 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.024 -5.835 -3.536 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.617 -5.592 -4.982 1.00 0.00 C ATOM 0 H ILE A 60 5.777 -3.606 -1.945 1.00 0.00 H new ATOM 0 HA ILE A 60 7.263 -6.124 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 60 7.490 -4.417 -3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.152 -7.072 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.045 -6.890 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.263 -5.987 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.688 -5.078 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.157 -6.772 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.935 -6.305 -5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.046 -4.877 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.170 -5.062 -5.757 1.00 0.00 H new ATOM 947 N PHE A 61 8.643 -4.710 -0.057 1.00 0.00 N ATOM 948 CA PHE A 61 9.570 -3.942 0.756 1.00 0.00 C ATOM 949 C PHE A 61 10.972 -4.554 0.714 1.00 0.00 C ATOM 950 O PHE A 61 11.202 -5.627 1.268 1.00 0.00 O ATOM 951 CB PHE A 61 9.050 -3.990 2.194 1.00 0.00 C ATOM 952 CG PHE A 61 10.089 -3.593 3.245 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.336 -2.280 3.496 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.766 -4.555 3.929 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.300 -1.912 4.472 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.730 -4.187 4.905 1.00 0.00 C ATOM 957 CZ PHE A 61 11.976 -2.874 5.155 1.00 0.00 C ATOM 0 H PHE A 61 8.406 -5.628 0.319 1.00 0.00 H new ATOM 0 HA PHE A 61 9.636 -2.921 0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.189 -3.327 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.698 -4.999 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.799 -1.516 2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.570 -5.598 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.496 -0.869 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.267 -4.950 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.709 -2.594 5.897 1.00 0.00 H new ATOM 967 N THR A 62 11.873 -3.843 0.050 1.00 0.00 N ATOM 968 CA THR A 62 13.246 -4.302 -0.072 1.00 0.00 C ATOM 969 C THR A 62 13.364 -5.338 -1.192 1.00 0.00 C ATOM 970 O THR A 62 14.457 -5.825 -1.479 1.00 0.00 O ATOM 971 CB THR A 62 13.691 -4.831 1.293 1.00 0.00 C ATOM 972 OG1 THR A 62 15.004 -4.303 1.458 1.00 0.00 O ATOM 973 CG2 THR A 62 13.896 -6.347 1.296 1.00 0.00 C ATOM 0 H THR A 62 11.678 -2.953 -0.409 1.00 0.00 H new ATOM 0 HA THR A 62 13.912 -3.486 -0.354 1.00 0.00 H new ATOM 0 HB THR A 62 12.948 -4.564 2.045 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.368 -4.596 2.319 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.211 -6.670 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.960 -6.841 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.663 -6.612 0.568 1.00 0.00 H new ATOM 981 N GLY A 63 12.225 -5.643 -1.795 1.00 0.00 N ATOM 982 CA GLY A 63 12.187 -6.611 -2.878 1.00 0.00 C ATOM 983 C GLY A 63 11.353 -7.834 -2.490 1.00 0.00 C ATOM 984 O GLY A 63 10.901 -8.581 -3.357 1.00 0.00 O ATOM 0 H GLY A 63 11.321 -5.237 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.766 -6.148 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.201 -6.922 -3.128 1.00 0.00 H new ATOM 988 N LYS A 64 11.175 -8.001 -1.188 1.00 0.00 N ATOM 989 CA LYS A 64 10.404 -9.120 -0.675 1.00 0.00 C ATOM 990 C LYS A 64 8.930 -8.720 -0.585 1.00 0.00 C ATOM 991 O LYS A 64 8.592 -7.720 0.047 1.00 0.00 O ATOM 992 CB LYS A 64 10.990 -9.613 0.649 1.00 0.00 C ATOM 993 CG LYS A 64 12.288 -10.389 0.420 1.00 0.00 C ATOM 994 CD LYS A 64 12.030 -11.897 0.402 1.00 0.00 C ATOM 995 CE LYS A 64 12.706 -12.554 -0.803 1.00 0.00 C ATOM 996 NZ LYS A 64 12.187 -13.925 -1.004 1.00 0.00 N ATOM 0 H LYS A 64 11.552 -7.379 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 64 10.463 -9.968 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.181 -8.764 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.266 -10.251 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.737 -10.082 -0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.003 -10.148 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.404 -12.345 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.957 -12.086 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.529 -11.957 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.785 -12.586 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.656 -14.357 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.378 -14.496 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.161 -13.887 -1.171 1.00 0.00 H new ATOM 1010 N ILE A 65 8.091 -9.521 -1.226 1.00 0.00 N ATOM 1011 CA ILE A 65 6.662 -9.262 -1.226 1.00 0.00 C ATOM 1012 C ILE A 65 6.094 -9.559 0.164 1.00 0.00 C ATOM 1013 O ILE A 65 6.456 -10.557 0.786 1.00 0.00 O ATOM 1014 CB ILE A 65 5.976 -10.042 -2.350 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.524 -9.629 -3.717 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.455 -9.893 -2.272 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.298 -10.777 -4.367 1.00 0.00 C ATOM 0 H ILE A 65 8.374 -10.350 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 65 6.466 -8.210 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 65 6.202 -11.100 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.702 -9.326 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.177 -8.763 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.992 -10.457 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.101 -10.275 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.187 -8.840 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.677 -10.457 -5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.133 -11.061 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.636 -11.633 -4.500 1.00 0.00 H new ATOM 1029 N LEU A 66 5.214 -8.675 0.610 1.00 0.00 N ATOM 1030 CA LEU A 66 4.593 -8.830 1.914 1.00 0.00 C ATOM 1031 C LEU A 66 3.151 -9.306 1.734 1.00 0.00 C ATOM 1032 O LEU A 66 2.700 -9.522 0.610 1.00 0.00 O ATOM 1033 CB LEU A 66 4.717 -7.537 2.723 1.00 0.00 C ATOM 1034 CG LEU A 66 6.025 -6.761 2.551 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.778 -5.252 2.611 1.00 0.00 C ATOM 1036 CD2 LEU A 66 7.069 -7.212 3.574 1.00 0.00 C ATOM 0 H LEU A 66 4.916 -7.849 0.091 1.00 0.00 H new ATOM 0 HA LEU A 66 5.111 -9.594 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.890 -6.881 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.598 -7.780 3.779 1.00 0.00 H new ATOM 0 HG LEU A 66 6.427 -6.983 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.723 -4.723 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.093 -4.963 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.342 -4.993 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.989 -6.645 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.690 -7.039 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.273 -8.274 3.441 1.00 0.00 H new ATOM 1048 N ARG A 67 2.466 -9.457 2.859 1.00 0.00 N ATOM 1049 CA ARG A 67 1.084 -9.904 2.839 1.00 0.00 C ATOM 1050 C ARG A 67 0.179 -8.861 3.498 1.00 0.00 C ATOM 1051 O ARG A 67 0.651 -8.014 4.255 1.00 0.00 O ATOM 1052 CB ARG A 67 0.927 -11.240 3.570 1.00 0.00 C ATOM 1053 CG ARG A 67 1.930 -12.271 3.048 1.00 0.00 C ATOM 1054 CD ARG A 67 1.559 -12.730 1.636 1.00 0.00 C ATOM 1055 NE ARG A 67 1.470 -14.207 1.592 1.00 0.00 N ATOM 1056 CZ ARG A 67 1.010 -14.900 0.541 1.00 0.00 C ATOM 1057 NH1 ARG A 67 0.595 -14.255 -0.557 1.00 0.00 N ATOM 1058 NH2 ARG A 67 0.965 -16.239 0.590 1.00 0.00 N ATOM 0 H ARG A 67 2.843 -9.278 3.790 1.00 0.00 H new ATOM 0 HA ARG A 67 0.793 -10.036 1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.075 -11.093 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.088 -11.615 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.931 -11.840 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.956 -13.130 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.606 -12.291 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.306 -12.381 0.923 1.00 0.00 H new ATOM 0 HE ARG A 67 1.778 -14.730 2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.629 -13.236 -0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.245 -14.783 -1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.281 -16.730 1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.615 -16.767 -0.209 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.105 -8.957 3.186 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.080 -8.032 3.738 1.00 0.00 C ATOM 1074 C ASP A 68 -2.176 -8.242 5.250 1.00 0.00 C ATOM 1075 O ASP A 68 -2.155 -7.280 6.017 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.467 -8.270 3.138 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.866 -9.741 2.997 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.377 -10.372 2.036 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.652 -10.200 3.854 1.00 0.00 O ATOM 0 H ASP A 68 -1.493 -9.661 2.558 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.755 -7.019 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.207 -7.766 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.506 -7.802 2.154 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.281 -9.506 5.635 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.381 -9.854 7.042 1.00 0.00 C ATOM 1086 C GLN A 69 -1.082 -9.500 7.770 1.00 0.00 C ATOM 1087 O GLN A 69 -1.024 -9.541 8.998 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.721 -11.336 7.216 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.651 -12.223 6.578 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.753 -13.661 7.091 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -1.448 -13.963 8.233 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -2.199 -14.528 6.186 1.00 0.00 N ATOM 0 H GLN A 69 -2.299 -10.301 4.997 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.191 -9.274 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.808 -11.571 8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.690 -11.546 6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.763 -12.211 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.662 -11.823 6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.437 -14.208 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.303 -15.513 6.431 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.073 -9.161 6.981 1.00 0.00 N ATOM 1102 CA ASP A 70 1.221 -8.800 7.536 1.00 0.00 C ATOM 1103 C ASP A 70 1.287 -7.283 7.720 1.00 0.00 C ATOM 1104 O ASP A 70 0.893 -6.528 6.831 1.00 0.00 O ATOM 1105 CB ASP A 70 2.357 -9.212 6.597 1.00 0.00 C ATOM 1106 CG ASP A 70 2.573 -10.721 6.467 1.00 0.00 C ATOM 1107 OD1 ASP A 70 2.168 -11.436 7.410 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.138 -11.126 5.429 1.00 0.00 O ATOM 0 H ASP A 70 -0.125 -9.129 5.963 1.00 0.00 H new ATOM 0 HA ASP A 70 1.335 -9.316 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.157 -8.802 5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.283 -8.757 6.949 1.00 0.00 H new ATOM 1113 N ILE A 71 1.787 -6.880 8.879 1.00 0.00 N ATOM 1114 CA ILE A 71 1.909 -5.467 9.191 1.00 0.00 C ATOM 1115 C ILE A 71 3.225 -4.935 8.619 1.00 0.00 C ATOM 1116 O ILE A 71 4.109 -5.711 8.260 1.00 0.00 O ATOM 1117 CB ILE A 71 1.754 -5.234 10.695 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.280 -5.251 11.103 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.453 -3.943 11.126 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.352 -6.615 10.819 1.00 0.00 C ATOM 0 H ILE A 71 2.112 -7.508 9.614 1.00 0.00 H new ATOM 0 HA ILE A 71 1.104 -4.903 8.720 1.00 0.00 H new ATOM 0 HB ILE A 71 2.243 -6.055 11.219 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.190 -5.018 12.164 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.260 -4.476 10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.327 -3.802 12.199 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.515 -4.008 10.891 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.015 -3.098 10.595 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.400 -6.600 11.118 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.282 -6.834 9.753 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.175 -7.385 11.383 1.00 0.00 H new ATOM 1132 N LEU A 72 3.313 -3.614 8.551 1.00 0.00 N ATOM 1133 CA LEU A 72 4.506 -2.970 8.029 1.00 0.00 C ATOM 1134 C LEU A 72 5.671 -3.206 8.992 1.00 0.00 C ATOM 1135 O LEU A 72 6.596 -3.955 8.680 1.00 0.00 O ATOM 1136 CB LEU A 72 4.235 -1.491 7.744 1.00 0.00 C ATOM 1137 CG LEU A 72 2.906 -1.174 7.055 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.712 0.337 6.908 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.798 -1.899 5.712 1.00 0.00 C ATOM 0 H LEU A 72 2.578 -2.973 8.849 1.00 0.00 H new ATOM 0 HA LEU A 72 4.788 -3.410 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.271 -0.947 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.044 -1.107 7.123 1.00 0.00 H new ATOM 0 HG LEU A 72 2.097 -1.543 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.760 0.535 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.714 0.802 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.523 0.752 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.844 -1.657 5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.613 -1.583 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.860 -2.975 5.874 1.00 0.00 H new ATOM 1151 N SER A 73 5.588 -2.555 10.142 1.00 0.00 N ATOM 1152 CA SER A 73 6.625 -2.685 11.152 1.00 0.00 C ATOM 1153 C SER A 73 6.990 -4.159 11.340 1.00 0.00 C ATOM 1154 O SER A 73 8.153 -4.537 11.200 1.00 0.00 O ATOM 1155 CB SER A 73 6.177 -2.076 12.483 1.00 0.00 C ATOM 1156 OG SER A 73 5.285 -2.933 13.189 1.00 0.00 O ATOM 0 H SER A 73 4.819 -1.936 10.398 1.00 0.00 H new ATOM 0 HA SER A 73 7.505 -2.139 10.811 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.051 -1.874 13.102 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.690 -1.119 12.298 1.00 0.00 H new ATOM 0 HG SER A 73 5.024 -2.509 14.033 1.00 0.00 H new ATOM 1162 N GLN A 74 5.976 -4.952 11.653 1.00 0.00 N ATOM 1163 CA GLN A 74 6.176 -6.376 11.862 1.00 0.00 C ATOM 1164 C GLN A 74 7.039 -6.960 10.741 1.00 0.00 C ATOM 1165 O GLN A 74 7.846 -7.857 10.978 1.00 0.00 O ATOM 1166 CB GLN A 74 4.837 -7.109 11.961 1.00 0.00 C ATOM 1167 CG GLN A 74 4.264 -7.014 13.377 1.00 0.00 C ATOM 1168 CD GLN A 74 3.286 -8.159 13.651 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.645 -9.324 13.673 1.00 0.00 O ATOM 1170 NE2 GLN A 74 2.034 -7.762 13.857 1.00 0.00 N ATOM 0 H GLN A 74 5.013 -4.635 11.767 1.00 0.00 H new ATOM 0 HA GLN A 74 6.699 -6.515 12.808 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.131 -6.681 11.249 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.970 -8.156 11.688 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.076 -7.042 14.104 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.755 -6.058 13.504 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.802 -6.769 13.824 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.306 -8.450 14.048 1.00 0.00 H new ATOM 1179 N ARG A 75 6.838 -6.428 9.544 1.00 0.00 N ATOM 1180 CA ARG A 75 7.588 -6.885 8.387 1.00 0.00 C ATOM 1181 C ARG A 75 8.965 -6.221 8.350 1.00 0.00 C ATOM 1182 O ARG A 75 9.916 -6.785 7.811 1.00 0.00 O ATOM 1183 CB ARG A 75 6.842 -6.570 7.088 1.00 0.00 C ATOM 1184 CG ARG A 75 5.778 -7.630 6.796 1.00 0.00 C ATOM 1185 CD ARG A 75 6.404 -9.023 6.702 1.00 0.00 C ATOM 1186 NE ARG A 75 5.739 -9.806 5.637 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.288 -10.867 5.030 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.514 -11.278 5.378 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.610 -11.517 4.073 1.00 0.00 N ATOM 0 H ARG A 75 6.167 -5.685 9.351 1.00 0.00 H new ATOM 0 HA ARG A 75 7.705 -7.965 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.372 -5.589 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.550 -6.522 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.023 -7.619 7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.269 -7.392 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.470 -8.938 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.309 -9.539 7.657 1.00 0.00 H new ATOM 0 HE ARG A 75 4.804 -9.520 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.030 -10.783 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.931 -12.086 4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.676 -11.204 3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.028 -12.325 3.611 1.00 0.00 H new ATOM 1203 N GLY A 76 9.029 -5.031 8.930 1.00 0.00 N ATOM 1204 CA GLY A 76 10.275 -4.284 8.970 1.00 0.00 C ATOM 1205 C GLY A 76 10.047 -2.817 8.598 1.00 0.00 C ATOM 1206 O GLY A 76 10.675 -1.925 9.164 1.00 0.00 O ATOM 0 H GLY A 76 8.238 -4.566 9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.709 -4.347 9.968 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.993 -4.730 8.282 1.00 0.00 H new ATOM 1210 N ILE A 77 9.145 -2.614 7.648 1.00 0.00 N ATOM 1211 CA ILE A 77 8.826 -1.272 7.194 1.00 0.00 C ATOM 1212 C ILE A 77 8.770 -0.330 8.399 1.00 0.00 C ATOM 1213 O ILE A 77 7.879 -0.443 9.239 1.00 0.00 O ATOM 1214 CB ILE A 77 7.544 -1.279 6.359 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.800 -1.859 4.966 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.925 0.119 6.293 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.510 -2.409 4.356 1.00 0.00 C ATOM 0 H ILE A 77 8.625 -3.357 7.181 1.00 0.00 H new ATOM 0 HA ILE A 77 9.608 -0.898 6.533 1.00 0.00 H new ATOM 0 HB ILE A 77 6.820 -1.929 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.213 -1.087 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.544 -2.653 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.015 0.086 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.684 0.458 7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.635 0.810 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.720 -2.815 3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.113 -3.198 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.777 -1.607 4.271 1.00 0.00 H new ATOM 1229 N LEU A 78 9.734 0.578 8.445 1.00 0.00 N ATOM 1230 CA LEU A 78 9.805 1.539 9.533 1.00 0.00 C ATOM 1231 C LEU A 78 9.688 2.955 8.965 1.00 0.00 C ATOM 1232 O LEU A 78 9.347 3.133 7.797 1.00 0.00 O ATOM 1233 CB LEU A 78 11.069 1.312 10.365 1.00 0.00 C ATOM 1234 CG LEU A 78 10.849 1.000 11.847 1.00 0.00 C ATOM 1235 CD1 LEU A 78 9.879 -0.169 12.023 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.181 0.753 12.558 1.00 0.00 C ATOM 0 H LEU A 78 10.472 0.669 7.747 1.00 0.00 H new ATOM 0 HA LEU A 78 8.970 1.401 10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.630 0.490 9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.694 2.202 10.290 1.00 0.00 H new ATOM 0 HG LEU A 78 10.391 1.871 12.316 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.740 -0.370 13.085 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.919 0.084 11.573 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.285 -1.056 11.536 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.997 0.534 13.610 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.690 -0.092 12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.807 1.642 12.477 1.00 0.00 H new ATOM 1248 N ASP A 79 9.976 3.926 9.819 1.00 0.00 N ATOM 1249 CA ASP A 79 9.908 5.321 9.418 1.00 0.00 C ATOM 1250 C ASP A 79 11.025 5.614 8.415 1.00 0.00 C ATOM 1251 O ASP A 79 12.198 5.374 8.699 1.00 0.00 O ATOM 1252 CB ASP A 79 10.094 6.249 10.619 1.00 0.00 C ATOM 1253 CG ASP A 79 10.584 7.658 10.278 1.00 0.00 C ATOM 1254 OD1 ASP A 79 9.714 8.507 9.987 1.00 0.00 O ATOM 1255 OD2 ASP A 79 11.818 7.854 10.314 1.00 0.00 O ATOM 0 H ASP A 79 10.257 3.774 10.788 1.00 0.00 H new ATOM 0 HA ASP A 79 8.928 5.497 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.144 6.329 11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.804 5.790 11.307 1.00 0.00 H new ATOM 1260 N GLY A 80 10.623 6.129 7.263 1.00 0.00 N ATOM 1261 CA GLY A 80 11.576 6.457 6.216 1.00 0.00 C ATOM 1262 C GLY A 80 12.029 5.200 5.473 1.00 0.00 C ATOM 1263 O GLY A 80 13.226 4.965 5.315 1.00 0.00 O ATOM 0 H GLY A 80 9.650 6.327 7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.123 7.156 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.441 6.958 6.651 1.00 0.00 H new ATOM 1267 N SER A 81 11.048 4.423 5.036 1.00 0.00 N ATOM 1268 CA SER A 81 11.332 3.195 4.313 1.00 0.00 C ATOM 1269 C SER A 81 10.866 3.323 2.862 1.00 0.00 C ATOM 1270 O SER A 81 10.007 4.148 2.552 1.00 0.00 O ATOM 1271 CB SER A 81 10.660 1.994 4.983 1.00 0.00 C ATOM 1272 OG SER A 81 10.919 1.950 6.383 1.00 0.00 O ATOM 0 H SER A 81 10.056 4.620 5.169 1.00 0.00 H new ATOM 0 HA SER A 81 12.409 3.030 4.328 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.584 2.040 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.016 1.074 4.519 1.00 0.00 H new ATOM 0 HG SER A 81 10.601 2.778 6.801 1.00 0.00 H new ATOM 1278 N THR A 82 11.452 2.494 2.010 1.00 0.00 N ATOM 1279 CA THR A 82 11.107 2.504 0.599 1.00 0.00 C ATOM 1280 C THR A 82 10.390 1.208 0.216 1.00 0.00 C ATOM 1281 O THR A 82 10.924 0.117 0.412 1.00 0.00 O ATOM 1282 CB THR A 82 12.390 2.748 -0.199 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.745 4.091 0.117 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.144 2.773 -1.709 1.00 0.00 C ATOM 0 H THR A 82 12.164 1.811 2.270 1.00 0.00 H new ATOM 0 HA THR A 82 10.406 3.306 0.368 1.00 0.00 H new ATOM 0 HB THR A 82 13.118 1.972 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.568 4.332 -0.357 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.086 2.949 -2.228 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.729 1.816 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.442 3.571 -1.950 1.00 0.00 H new ATOM 1292 N VAL A 83 9.191 1.370 -0.324 1.00 0.00 N ATOM 1293 CA VAL A 83 8.395 0.226 -0.737 1.00 0.00 C ATOM 1294 C VAL A 83 8.024 0.374 -2.213 1.00 0.00 C ATOM 1295 O VAL A 83 7.533 1.422 -2.632 1.00 0.00 O ATOM 1296 CB VAL A 83 7.175 0.081 0.175 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.433 -1.227 -0.106 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.576 0.179 1.648 1.00 0.00 C ATOM 0 H VAL A 83 8.751 2.276 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 83 8.970 -0.695 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 83 6.495 0.905 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.570 -1.305 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.097 -1.239 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.102 -2.070 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.690 0.073 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.285 -0.614 1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.039 1.148 1.835 1.00 0.00 H new ATOM 1308 N HIS A 84 8.273 -0.690 -2.963 1.00 0.00 N ATOM 1309 CA HIS A 84 7.971 -0.691 -4.384 1.00 0.00 C ATOM 1310 C HIS A 84 6.488 -1.003 -4.593 1.00 0.00 C ATOM 1311 O HIS A 84 5.965 -1.962 -4.028 1.00 0.00 O ATOM 1312 CB HIS A 84 8.891 -1.656 -5.134 1.00 0.00 C ATOM 1313 CG HIS A 84 10.295 -1.136 -5.334 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.655 -0.346 -6.411 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.422 -1.301 -4.584 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.943 -0.055 -6.305 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.417 -0.648 -5.171 1.00 0.00 N ATOM 0 H HIS A 84 8.680 -1.557 -2.613 1.00 0.00 H new ATOM 0 HA HIS A 84 8.161 0.298 -4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.938 -2.597 -4.586 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.454 -1.876 -6.108 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.493 -1.867 -3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.517 0.546 -6.995 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.377 -0.598 -4.831 1.00 0.00 H new ATOM 1325 N VAL A 85 5.851 -0.174 -5.408 1.00 0.00 N ATOM 1326 CA VAL A 85 4.439 -0.349 -5.699 1.00 0.00 C ATOM 1327 C VAL A 85 4.282 -0.989 -7.080 1.00 0.00 C ATOM 1328 O VAL A 85 5.115 -0.783 -7.962 1.00 0.00 O ATOM 1329 CB VAL A 85 3.709 0.990 -5.575 1.00 0.00 C ATOM 1330 CG1 VAL A 85 4.011 1.893 -6.773 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.202 0.780 -5.412 1.00 0.00 C ATOM 0 H VAL A 85 6.288 0.620 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 85 3.981 -1.022 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 85 4.076 1.490 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.480 2.838 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.083 2.083 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.686 1.402 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.707 1.747 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.813 0.249 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.011 0.194 -4.513 1.00 0.00 H new ATOM 1341 N VAL A 86 3.209 -1.752 -7.225 1.00 0.00 N ATOM 1342 CA VAL A 86 2.933 -2.423 -8.484 1.00 0.00 C ATOM 1343 C VAL A 86 1.426 -2.401 -8.749 1.00 0.00 C ATOM 1344 O VAL A 86 0.629 -2.331 -7.815 1.00 0.00 O ATOM 1345 CB VAL A 86 3.515 -3.838 -8.461 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.772 -4.752 -9.438 1.00 0.00 C ATOM 1347 CG2 VAL A 86 5.015 -3.819 -8.761 1.00 0.00 C ATOM 0 H VAL A 86 2.520 -1.921 -6.492 1.00 0.00 H new ATOM 0 HA VAL A 86 3.416 -1.900 -9.309 1.00 0.00 H new ATOM 0 HB VAL A 86 3.379 -4.240 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.205 -5.752 -9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.719 -4.803 -9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.862 -4.354 -10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.403 -4.837 -8.738 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.183 -3.388 -9.748 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.529 -3.218 -8.011 1.00 0.00 H new ATOM 1357 N VAL A 87 1.082 -2.460 -10.027 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.315 -2.448 -10.427 1.00 0.00 C ATOM 1359 C VAL A 87 -0.572 -3.597 -11.404 1.00 0.00 C ATOM 1360 O VAL A 87 -0.848 -3.367 -12.580 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.681 -1.079 -11.005 1.00 0.00 C ATOM 1362 CG1 VAL A 87 -2.194 -0.851 -10.959 1.00 0.00 C ATOM 1363 CG2 VAL A 87 0.064 0.041 -10.277 1.00 0.00 C ATOM 0 H VAL A 87 1.746 -2.516 -10.799 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.961 -2.606 -9.563 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.371 -1.063 -12.050 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.427 0.129 -11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.696 -1.622 -11.543 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.538 -0.897 -9.926 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.214 1.003 -10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.200 0.027 -9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.139 -0.107 -10.384 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.472 -4.810 -10.879 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.690 -5.996 -11.690 1.00 0.00 C ATOM 1375 C ARG A 88 -1.867 -5.778 -12.643 1.00 0.00 C ATOM 1376 O ARG A 88 -2.707 -4.911 -12.410 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.972 -7.218 -10.814 1.00 0.00 C ATOM 1378 CG ARG A 88 0.322 -7.962 -10.477 1.00 0.00 C ATOM 1379 CD ARG A 88 0.102 -8.955 -9.335 1.00 0.00 C ATOM 1380 NE ARG A 88 0.207 -10.341 -9.842 1.00 0.00 N ATOM 1381 CZ ARG A 88 1.352 -10.909 -10.244 1.00 0.00 C ATOM 1382 NH1 ARG A 88 2.496 -10.214 -10.201 1.00 0.00 N ATOM 1383 NH2 ARG A 88 1.352 -12.173 -10.690 1.00 0.00 N ATOM 0 H ARG A 88 -0.243 -4.997 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 88 0.219 -6.177 -12.264 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.465 -6.904 -9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.658 -7.890 -11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.682 -8.491 -11.359 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.095 -7.246 -10.197 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.840 -8.789 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.879 -8.796 -8.888 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.646 -10.899 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.496 -9.252 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.367 -10.647 -10.507 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.481 -12.702 -10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.223 -12.606 -10.996 1.00 0.00 H new ATOM 1397 N SER A 89 -1.889 -6.580 -13.698 1.00 0.00 N ATOM 1398 CA SER A 89 -2.949 -6.486 -14.687 1.00 0.00 C ATOM 1399 C SER A 89 -3.847 -7.722 -14.612 1.00 0.00 C ATOM 1400 O SER A 89 -3.518 -8.692 -13.930 1.00 0.00 O ATOM 1401 CB SER A 89 -2.374 -6.332 -16.097 1.00 0.00 C ATOM 1402 OG SER A 89 -1.666 -5.106 -16.254 1.00 0.00 O ATOM 0 H SER A 89 -1.190 -7.298 -13.889 1.00 0.00 H new ATOM 0 HA SER A 89 -3.544 -5.600 -14.467 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.705 -7.166 -16.309 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.183 -6.379 -16.826 1.00 0.00 H new ATOM 0 HG SER A 89 -1.313 -5.046 -17.166 1.00 0.00 H new ATOM 1408 N HIS A 90 -4.963 -7.648 -15.321 1.00 0.00 N ATOM 1409 CA HIS A 90 -5.911 -8.749 -15.343 1.00 0.00 C ATOM 1410 C HIS A 90 -6.536 -8.861 -16.735 1.00 0.00 C ATOM 1411 O HIS A 90 -7.474 -8.133 -17.059 1.00 0.00 O ATOM 1412 CB HIS A 90 -6.954 -8.590 -14.236 1.00 0.00 C ATOM 1413 CG HIS A 90 -7.815 -9.813 -14.023 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -9.162 -9.737 -13.716 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -7.506 -11.140 -14.076 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -9.633 -10.969 -13.592 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -8.605 -11.837 -13.815 1.00 0.00 N ATOM 0 H HIS A 90 -5.233 -6.842 -15.885 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.391 -9.685 -15.140 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -6.445 -8.350 -13.303 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.597 -7.743 -14.475 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.532 -11.554 -14.293 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.652 -11.239 -13.356 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.670 -12.855 -13.786 1.00 0.00 H new ATOM 1425 N SER A 91 -5.992 -9.777 -17.522 1.00 0.00 N ATOM 1426 CA SER A 91 -6.484 -9.993 -18.872 1.00 0.00 C ATOM 1427 C SER A 91 -7.641 -10.995 -18.853 1.00 0.00 C ATOM 1428 O SER A 91 -7.425 -12.200 -18.974 1.00 0.00 O ATOM 1429 CB SER A 91 -5.368 -10.489 -19.793 1.00 0.00 C ATOM 1430 OG SER A 91 -5.514 -9.997 -21.122 1.00 0.00 O ATOM 0 H SER A 91 -5.215 -10.379 -17.250 1.00 0.00 H new ATOM 0 HA SER A 91 -6.842 -9.040 -19.262 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.403 -10.176 -19.394 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.368 -11.579 -19.808 1.00 0.00 H new ATOM 0 HG SER A 91 -4.781 -10.335 -21.678 1.00 0.00 H new ATOM 1436 N GLY A 92 -8.843 -10.460 -18.700 1.00 0.00 N ATOM 1437 CA GLY A 92 -10.034 -11.292 -18.664 1.00 0.00 C ATOM 1438 C GLY A 92 -11.301 -10.440 -18.762 1.00 0.00 C ATOM 1439 O GLY A 92 -11.785 -9.923 -17.756 1.00 0.00 O ATOM 0 H GLY A 92 -9.018 -9.460 -18.599 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.008 -12.007 -19.486 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.051 -11.870 -17.740 1.00 0.00 H new ATOM 1443 N PRO A 93 -11.815 -10.318 -20.015 1.00 0.00 N ATOM 1444 CA PRO A 93 -13.017 -9.538 -20.257 1.00 0.00 C ATOM 1445 C PRO A 93 -14.263 -10.288 -19.781 1.00 0.00 C ATOM 1446 O PRO A 93 -14.207 -11.489 -19.520 1.00 0.00 O ATOM 1447 CB PRO A 93 -13.019 -9.273 -21.754 1.00 0.00 C ATOM 1448 CG PRO A 93 -12.076 -10.300 -22.360 1.00 0.00 C ATOM 1449 CD PRO A 93 -11.269 -10.917 -21.229 1.00 0.00 C ATOM 0 HA PRO A 93 -13.030 -8.601 -19.700 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.023 -9.373 -22.167 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.684 -8.259 -21.972 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.638 -11.068 -22.891 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.415 -9.829 -23.088 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.371 -12.002 -21.216 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.207 -10.698 -21.335 1.00 0.00 H new ATOM 1457 N SER A 94 -15.358 -9.548 -19.683 1.00 0.00 N ATOM 1458 CA SER A 94 -16.616 -10.128 -19.243 1.00 0.00 C ATOM 1459 C SER A 94 -16.429 -10.816 -17.889 1.00 0.00 C ATOM 1460 O SER A 94 -16.009 -11.971 -17.828 1.00 0.00 O ATOM 1461 CB SER A 94 -17.154 -11.123 -20.274 1.00 0.00 C ATOM 1462 OG SER A 94 -17.864 -10.472 -21.323 1.00 0.00 O ATOM 0 H SER A 94 -15.400 -8.552 -19.901 1.00 0.00 H new ATOM 0 HA SER A 94 -17.345 -9.325 -19.138 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.325 -11.692 -20.696 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.812 -11.837 -19.779 1.00 0.00 H new ATOM 0 HG SER A 94 -18.190 -11.140 -21.961 1.00 0.00 H new ATOM 1468 N SER A 95 -16.751 -10.078 -16.837 1.00 0.00 N ATOM 1469 CA SER A 95 -16.625 -10.602 -15.488 1.00 0.00 C ATOM 1470 C SER A 95 -17.878 -10.267 -14.677 1.00 0.00 C ATOM 1471 O SER A 95 -17.961 -9.202 -14.068 1.00 0.00 O ATOM 1472 CB SER A 95 -15.379 -10.045 -14.795 1.00 0.00 C ATOM 1473 OG SER A 95 -14.296 -10.969 -14.820 1.00 0.00 O ATOM 0 H SER A 95 -17.099 -9.121 -16.892 1.00 0.00 H new ATOM 0 HA SER A 95 -16.520 -11.685 -15.550 1.00 0.00 H new ATOM 0 HB2 SER A 95 -15.076 -9.119 -15.283 1.00 0.00 H new ATOM 0 HB3 SER A 95 -15.620 -9.797 -13.761 1.00 0.00 H new ATOM 0 HG SER A 95 -13.520 -10.575 -14.370 1.00 0.00 H new ATOM 1479 N GLY A 96 -18.822 -11.197 -14.695 1.00 0.00 N ATOM 1480 CA GLY A 96 -20.067 -11.014 -13.969 1.00 0.00 C ATOM 1481 C GLY A 96 -20.924 -9.924 -14.616 1.00 0.00 C ATOM 1482 O GLY A 96 -21.256 -10.011 -15.797 1.00 0.00 O ATOM 0 H GLY A 96 -18.749 -12.080 -15.201 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -20.621 -11.952 -13.948 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.853 -10.747 -12.934 1.00 0.00 H new TER 1486 GLY A 96