USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=27 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 90 HIS : no HD1:sc= 0.145 X(o=0.31,f=-0.14) USER MOD Set 1.2: A 95 SER OG : rot 46:sc= 0.16 USER MOD Set 2.1: A 29 HIS : no HE2:sc= -1.53 K(o=-1.6,f=-3.7!) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= -0.0743 USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0.00664 USER MOD Set 3.2: A 36 ASN : amide:sc= -3.26 K(o=-3.3,f=-6.5!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.113 (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 21 SER OG : rot -118:sc= -2.43 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -72:sc= 1.13 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 6:sc= 0.421 USER MOD Single : A 37 SER OG : rot 180:sc= -1.09 USER MOD Single : A 38 ASN : amide:sc= -3.95 K(o=-4,f=-8.2!) USER MOD Single : A 43 LYS NZ :NH3+ -113:sc= 1.25 (180deg=-0.711) USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00424) USER MOD Single : A 45 GLN : amide:sc= -1.55 X(o=-1.6,f=-1.3) USER MOD Single : A 47 SER OG : rot -42:sc= 1.16 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.47 X(o=-2.5,f=-2.8) USER MOD Single : A 52 CYS SG : rot 64:sc= 0.788 USER MOD Single : A 53 ASN : amide:sc= -0.232 K(o=-0.23,f=-0.87) 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= -0.0962 K(o=-0.096,f=-1.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.957 K(o=-0.96,f=0) USER MOD Single : A 81 SER OG : rot 69:sc= 0.786 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0831 K(o=-0.083,f=-0.6) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 19:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.994 -4.051 17.331 1.00 0.00 N ATOM 2 CA GLY A 1 -2.405 -4.492 18.653 1.00 0.00 C ATOM 3 C GLY A 1 -2.998 -3.333 19.458 1.00 0.00 C ATOM 4 O GLY A 1 -3.028 -2.197 18.986 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.517 -4.585 16.608 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.196 -3.036 17.225 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.974 -4.215 17.212 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.142 -5.290 18.561 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.549 -4.908 19.184 1.00 0.00 H new ATOM 8 N SER A 2 -3.453 -3.660 20.658 1.00 0.00 N ATOM 9 CA SER A 2 -4.043 -2.661 21.533 1.00 0.00 C ATOM 10 C SER A 2 -2.994 -1.614 21.913 1.00 0.00 C ATOM 11 O SER A 2 -2.200 -1.828 22.828 1.00 0.00 O ATOM 12 CB SER A 2 -4.628 -3.306 22.790 1.00 0.00 C ATOM 13 OG SER A 2 -5.942 -2.830 23.072 1.00 0.00 O ATOM 0 H SER A 2 -3.425 -4.603 21.045 1.00 0.00 H new ATOM 0 HA SER A 2 -4.856 -2.173 20.996 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.654 -4.388 22.664 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.977 -3.100 23.640 1.00 0.00 H new ATOM 0 HG SER A 2 -6.282 -3.267 23.881 1.00 0.00 H new ATOM 19 N SER A 3 -3.024 -0.503 21.191 1.00 0.00 N ATOM 20 CA SER A 3 -2.086 0.578 21.441 1.00 0.00 C ATOM 21 C SER A 3 -2.489 1.817 20.640 1.00 0.00 C ATOM 22 O SER A 3 -2.795 1.721 19.452 1.00 0.00 O ATOM 23 CB SER A 3 -0.657 0.160 21.088 1.00 0.00 C ATOM 24 OG SER A 3 -0.546 -0.270 19.734 1.00 0.00 O ATOM 0 H SER A 3 -3.683 -0.328 20.433 1.00 0.00 H new ATOM 0 HA SER A 3 -2.114 0.816 22.504 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.019 0.998 21.259 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.340 -0.645 21.751 1.00 0.00 H new ATOM 0 HG SER A 3 0.381 -0.527 19.547 1.00 0.00 H new ATOM 30 N GLY A 4 -2.478 2.953 21.322 1.00 0.00 N ATOM 31 CA GLY A 4 -2.839 4.210 20.689 1.00 0.00 C ATOM 32 C GLY A 4 -2.019 5.368 21.261 1.00 0.00 C ATOM 33 O GLY A 4 -1.186 5.167 22.144 1.00 0.00 O ATOM 0 H GLY A 4 -2.225 3.029 22.307 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.675 4.140 19.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.901 4.404 20.837 1.00 0.00 H new ATOM 37 N SER A 5 -2.283 6.555 20.735 1.00 0.00 N ATOM 38 CA SER A 5 -1.580 7.745 21.182 1.00 0.00 C ATOM 39 C SER A 5 -2.224 8.993 20.574 1.00 0.00 C ATOM 40 O SER A 5 -2.473 9.044 19.371 1.00 0.00 O ATOM 41 CB SER A 5 -0.097 7.680 20.812 1.00 0.00 C ATOM 42 OG SER A 5 0.117 7.899 19.420 1.00 0.00 O ATOM 0 H SER A 5 -2.974 6.718 20.003 1.00 0.00 H new ATOM 0 HA SER A 5 -1.654 7.798 22.268 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.452 8.427 21.385 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.304 6.706 21.091 1.00 0.00 H new ATOM 0 HG SER A 5 1.076 7.851 19.225 1.00 0.00 H new ATOM 48 N SER A 6 -2.475 9.968 21.435 1.00 0.00 N ATOM 49 CA SER A 6 -3.085 11.213 20.998 1.00 0.00 C ATOM 50 C SER A 6 -4.489 10.944 20.453 1.00 0.00 C ATOM 51 O SER A 6 -4.814 9.813 20.094 1.00 0.00 O ATOM 52 CB SER A 6 -2.227 11.904 19.937 1.00 0.00 C ATOM 53 OG SER A 6 -1.827 13.211 20.342 1.00 0.00 O ATOM 0 H SER A 6 -2.267 9.922 22.433 1.00 0.00 H new ATOM 0 HA SER A 6 -3.157 11.879 21.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.342 11.300 19.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.787 11.969 19.004 1.00 0.00 H new ATOM 0 HG SER A 6 -1.280 13.618 19.639 1.00 0.00 H new ATOM 59 N GLY A 7 -5.285 12.002 20.408 1.00 0.00 N ATOM 60 CA GLY A 7 -6.647 11.894 19.913 1.00 0.00 C ATOM 61 C GLY A 7 -7.436 13.174 20.197 1.00 0.00 C ATOM 62 O GLY A 7 -7.893 13.390 21.318 1.00 0.00 O ATOM 0 H GLY A 7 -5.013 12.939 20.706 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.634 11.701 18.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.143 11.045 20.384 1.00 0.00 H new ATOM 66 N VAL A 8 -7.573 13.989 19.161 1.00 0.00 N ATOM 67 CA VAL A 8 -8.300 15.241 19.285 1.00 0.00 C ATOM 68 C VAL A 8 -9.554 15.187 18.410 1.00 0.00 C ATOM 69 O VAL A 8 -9.477 14.854 17.229 1.00 0.00 O ATOM 70 CB VAL A 8 -7.381 16.415 18.941 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.004 16.400 17.458 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.025 17.748 19.330 1.00 0.00 C ATOM 0 H VAL A 8 -7.193 13.807 18.232 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.628 15.392 20.313 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.465 16.304 19.521 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.351 17.245 17.240 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.486 15.470 17.224 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.907 16.474 16.852 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.351 18.566 19.075 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.964 17.870 18.790 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.219 17.759 20.403 1.00 0.00 H new ATOM 82 N SER A 9 -10.680 15.519 19.024 1.00 0.00 N ATOM 83 CA SER A 9 -11.948 15.513 18.317 1.00 0.00 C ATOM 84 C SER A 9 -12.120 14.193 17.563 1.00 0.00 C ATOM 85 O SER A 9 -11.703 14.072 16.412 1.00 0.00 O ATOM 86 CB SER A 9 -12.045 16.693 17.348 1.00 0.00 C ATOM 87 OG SER A 9 -12.457 17.890 18.004 1.00 0.00 O ATOM 0 H SER A 9 -10.740 15.794 20.004 1.00 0.00 H new ATOM 0 HA SER A 9 -12.748 15.613 19.050 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.076 16.854 16.875 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.752 16.453 16.554 1.00 0.00 H new ATOM 0 HG SER A 9 -12.505 18.620 17.352 1.00 0.00 H new ATOM 93 N GLY A 10 -12.735 13.236 18.243 1.00 0.00 N ATOM 94 CA GLY A 10 -12.967 11.929 17.652 1.00 0.00 C ATOM 95 C GLY A 10 -11.972 10.899 18.190 1.00 0.00 C ATOM 96 O GLY A 10 -10.761 11.089 18.088 1.00 0.00 O ATOM 0 H GLY A 10 -13.080 13.340 19.197 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.985 11.604 17.868 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.877 11.995 16.568 1.00 0.00 H new ATOM 100 N ARG A 11 -12.519 9.831 18.750 1.00 0.00 N ATOM 101 CA ARG A 11 -11.694 8.771 19.305 1.00 0.00 C ATOM 102 C ARG A 11 -11.605 7.600 18.324 1.00 0.00 C ATOM 103 O ARG A 11 -12.573 6.864 18.140 1.00 0.00 O ATOM 104 CB ARG A 11 -12.261 8.271 20.635 1.00 0.00 C ATOM 105 CG ARG A 11 -11.187 8.278 21.725 1.00 0.00 C ATOM 106 CD ARG A 11 -11.695 7.598 22.999 1.00 0.00 C ATOM 107 NE ARG A 11 -11.836 8.596 24.082 1.00 0.00 N ATOM 108 CZ ARG A 11 -12.341 8.323 25.293 1.00 0.00 C ATOM 109 NH1 ARG A 11 -12.756 7.082 25.582 1.00 0.00 N ATOM 110 NH2 ARG A 11 -12.432 9.292 26.215 1.00 0.00 N ATOM 0 H ARG A 11 -13.524 9.676 18.832 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.699 9.181 19.479 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.097 8.902 20.938 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.652 7.261 20.511 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.295 7.765 21.365 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.896 9.305 21.948 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.655 7.119 22.807 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.002 6.814 23.304 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.530 9.551 23.895 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.688 6.345 24.880 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.140 6.874 26.504 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.117 10.237 25.995 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.816 9.084 27.137 1.00 0.00 H new ATOM 124 N GLU A 12 -10.434 7.464 17.719 1.00 0.00 N ATOM 125 CA GLU A 12 -10.206 6.395 16.762 1.00 0.00 C ATOM 126 C GLU A 12 -8.790 5.835 16.919 1.00 0.00 C ATOM 127 O GLU A 12 -7.884 6.543 17.355 1.00 0.00 O ATOM 128 CB GLU A 12 -10.448 6.879 15.331 1.00 0.00 C ATOM 129 CG GLU A 12 -9.485 8.010 14.964 1.00 0.00 C ATOM 130 CD GLU A 12 -9.895 8.674 13.648 1.00 0.00 C ATOM 131 OE1 GLU A 12 -10.317 7.924 12.741 1.00 0.00 O ATOM 132 OE2 GLU A 12 -9.777 9.916 13.578 1.00 0.00 O ATOM 0 H GLU A 12 -9.633 8.077 17.873 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.917 5.594 16.965 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.321 6.049 14.636 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.477 7.225 15.229 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.470 8.753 15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.472 7.616 14.877 1.00 0.00 H new ATOM 139 N PRO A 13 -8.641 4.536 16.545 1.00 0.00 N ATOM 140 CA PRO A 13 -7.351 3.874 16.639 1.00 0.00 C ATOM 141 C PRO A 13 -6.413 4.339 15.524 1.00 0.00 C ATOM 142 O PRO A 13 -6.155 3.598 14.576 1.00 0.00 O ATOM 143 CB PRO A 13 -7.666 2.388 16.570 1.00 0.00 C ATOM 144 CG PRO A 13 -9.061 2.285 15.975 1.00 0.00 C ATOM 145 CD PRO A 13 -9.692 3.667 16.024 1.00 0.00 C ATOM 0 HA PRO A 13 -6.822 4.113 17.561 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.938 1.863 15.952 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.629 1.935 17.561 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.012 1.924 14.948 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.663 1.570 16.536 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.018 3.989 15.035 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.571 3.678 16.669 1.00 0.00 H new ATOM 153 N SER A 14 -5.928 5.563 15.674 1.00 0.00 N ATOM 154 CA SER A 14 -5.024 6.135 14.691 1.00 0.00 C ATOM 155 C SER A 14 -3.575 5.974 15.157 1.00 0.00 C ATOM 156 O SER A 14 -2.984 6.911 15.691 1.00 0.00 O ATOM 157 CB SER A 14 -5.341 7.611 14.445 1.00 0.00 C ATOM 158 OG SER A 14 -5.760 7.850 13.104 1.00 0.00 O ATOM 0 H SER A 14 -6.144 6.174 16.461 1.00 0.00 H new ATOM 0 HA SER A 14 -5.158 5.601 13.751 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.123 7.933 15.132 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.458 8.213 14.662 1.00 0.00 H new ATOM 0 HG SER A 14 -5.955 8.803 12.987 1.00 0.00 H new ATOM 164 N SER A 15 -3.045 4.780 14.937 1.00 0.00 N ATOM 165 CA SER A 15 -1.677 4.485 15.327 1.00 0.00 C ATOM 166 C SER A 15 -0.734 5.560 14.784 1.00 0.00 C ATOM 167 O SER A 15 -1.140 6.396 13.978 1.00 0.00 O ATOM 168 CB SER A 15 -1.249 3.102 14.831 1.00 0.00 C ATOM 169 OG SER A 15 -2.271 2.127 15.018 1.00 0.00 O ATOM 0 H SER A 15 -3.538 4.005 14.493 1.00 0.00 H new ATOM 0 HA SER A 15 -1.625 4.483 16.416 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.993 3.160 13.773 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.349 2.790 15.361 1.00 0.00 H new ATOM 0 HG SER A 15 -1.959 1.259 14.687 1.00 0.00 H new ATOM 175 N ARG A 16 0.506 5.503 15.246 1.00 0.00 N ATOM 176 CA ARG A 16 1.510 6.461 14.816 1.00 0.00 C ATOM 177 C ARG A 16 1.787 6.304 13.320 1.00 0.00 C ATOM 178 O ARG A 16 2.000 5.193 12.837 1.00 0.00 O ATOM 179 CB ARG A 16 2.816 6.276 15.592 1.00 0.00 C ATOM 180 CG ARG A 16 3.437 7.628 15.949 1.00 0.00 C ATOM 181 CD ARG A 16 4.870 7.729 15.422 1.00 0.00 C ATOM 182 NE ARG A 16 5.338 9.131 15.493 1.00 0.00 N ATOM 183 CZ ARG A 16 5.890 9.684 16.582 1.00 0.00 C ATOM 184 NH1 ARG A 16 6.047 8.957 17.696 1.00 0.00 N ATOM 185 NH2 ARG A 16 6.285 10.964 16.555 1.00 0.00 N ATOM 0 H ARG A 16 0.839 4.808 15.914 1.00 0.00 H new ATOM 0 HA ARG A 16 1.121 7.460 15.014 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.625 5.708 16.502 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.519 5.695 14.995 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.833 8.432 15.528 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.433 7.760 17.031 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.528 7.087 16.008 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.913 7.374 14.392 1.00 0.00 H new ATOM 0 HE ARG A 16 5.234 9.713 14.662 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.746 7.982 17.716 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.467 9.378 18.525 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.166 11.517 15.706 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.705 11.386 17.383 1.00 0.00 H new ATOM 199 N ILE A 17 1.774 7.433 12.626 1.00 0.00 N ATOM 200 CA ILE A 17 2.021 7.435 11.195 1.00 0.00 C ATOM 201 C ILE A 17 3.528 7.509 10.942 1.00 0.00 C ATOM 202 O ILE A 17 4.289 7.916 11.818 1.00 0.00 O ATOM 203 CB ILE A 17 1.228 8.554 10.516 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.204 8.614 11.052 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.264 8.405 8.993 1.00 0.00 C ATOM 206 CD1 ILE A 17 -0.962 7.322 10.739 1.00 0.00 C ATOM 0 H ILE A 17 1.596 8.353 13.029 1.00 0.00 H new ATOM 0 HA ILE A 17 1.667 6.507 10.746 1.00 0.00 H new ATOM 0 HB ILE A 17 1.703 9.505 10.758 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.186 8.777 12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.726 9.462 10.610 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.693 9.213 8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.297 8.449 8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.828 7.447 8.711 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.977 7.391 11.131 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.999 7.174 9.660 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.451 6.479 11.203 1.00 0.00 H new ATOM 218 N ILE A 18 3.914 7.110 9.739 1.00 0.00 N ATOM 219 CA ILE A 18 5.317 7.126 9.359 1.00 0.00 C ATOM 220 C ILE A 18 5.444 7.614 7.915 1.00 0.00 C ATOM 221 O ILE A 18 4.441 7.861 7.248 1.00 0.00 O ATOM 222 CB ILE A 18 5.954 5.757 9.605 1.00 0.00 C ATOM 223 CG1 ILE A 18 5.097 4.639 9.008 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.226 5.537 11.094 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.911 3.354 8.840 1.00 0.00 C ATOM 0 H ILE A 18 3.280 6.774 9.014 1.00 0.00 H new ATOM 0 HA ILE A 18 5.873 7.827 9.982 1.00 0.00 H new ATOM 0 HB ILE A 18 6.917 5.733 9.095 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.240 4.449 9.654 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.704 4.954 8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.679 4.556 11.240 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.905 6.308 11.458 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.288 5.590 11.647 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.278 2.575 8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.754 3.541 8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.282 3.029 9.812 1.00 0.00 H new ATOM 237 N ARG A 19 6.688 7.738 7.474 1.00 0.00 N ATOM 238 CA ARG A 19 6.960 8.192 6.120 1.00 0.00 C ATOM 239 C ARG A 19 7.463 7.030 5.262 1.00 0.00 C ATOM 240 O ARG A 19 8.623 6.634 5.366 1.00 0.00 O ATOM 241 CB ARG A 19 8.003 9.311 6.114 1.00 0.00 C ATOM 242 CG ARG A 19 8.139 9.926 4.719 1.00 0.00 C ATOM 243 CD ARG A 19 8.893 11.256 4.778 1.00 0.00 C ATOM 244 NE ARG A 19 8.252 12.241 3.878 1.00 0.00 N ATOM 245 CZ ARG A 19 8.766 13.445 3.594 1.00 0.00 C ATOM 246 NH1 ARG A 19 9.932 13.821 4.138 1.00 0.00 N ATOM 247 NH2 ARG A 19 8.115 14.274 2.766 1.00 0.00 N ATOM 0 H ARG A 19 7.518 7.532 8.030 1.00 0.00 H new ATOM 0 HA ARG A 19 6.028 8.577 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.718 10.083 6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.966 8.917 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.666 9.234 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.150 10.083 4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.899 11.635 5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.933 11.107 4.487 1.00 0.00 H new ATOM 0 HE ARG A 19 7.363 11.987 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.428 13.190 4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.324 14.738 3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.228 13.988 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.507 15.191 2.550 1.00 0.00 H new ATOM 261 N VAL A 20 6.566 6.516 4.433 1.00 0.00 N ATOM 262 CA VAL A 20 6.904 5.407 3.557 1.00 0.00 C ATOM 263 C VAL A 20 7.025 5.917 2.120 1.00 0.00 C ATOM 264 O VAL A 20 6.068 6.456 1.566 1.00 0.00 O ATOM 265 CB VAL A 20 5.874 4.286 3.710 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.294 3.045 2.920 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.647 3.947 5.184 1.00 0.00 C ATOM 0 H VAL A 20 5.605 6.847 4.350 1.00 0.00 H new ATOM 0 HA VAL A 20 7.869 4.982 3.833 1.00 0.00 H new ATOM 0 HB VAL A 20 4.929 4.641 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.545 2.263 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.381 3.298 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.256 2.688 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.911 3.147 5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.586 3.622 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.282 4.830 5.708 1.00 0.00 H new ATOM 277 N SER A 21 8.210 5.729 1.557 1.00 0.00 N ATOM 278 CA SER A 21 8.468 6.163 0.194 1.00 0.00 C ATOM 279 C SER A 21 8.023 5.082 -0.793 1.00 0.00 C ATOM 280 O SER A 21 8.652 4.030 -0.892 1.00 0.00 O ATOM 281 CB SER A 21 9.949 6.489 -0.008 1.00 0.00 C ATOM 282 OG SER A 21 10.322 7.703 0.639 1.00 0.00 O ATOM 0 H SER A 21 9.002 5.282 2.020 1.00 0.00 H new ATOM 0 HA SER A 21 7.895 7.072 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.556 5.671 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.161 6.567 -1.074 1.00 0.00 H new ATOM 0 HG SER A 21 10.631 8.349 -0.030 1.00 0.00 H new ATOM 288 N VAL A 22 6.940 5.378 -1.497 1.00 0.00 N ATOM 289 CA VAL A 22 6.403 4.445 -2.472 1.00 0.00 C ATOM 290 C VAL A 22 7.058 4.701 -3.831 1.00 0.00 C ATOM 291 O VAL A 22 6.959 5.800 -4.375 1.00 0.00 O ATOM 292 CB VAL A 22 4.878 4.552 -2.515 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.320 3.927 -3.795 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.249 3.914 -1.274 1.00 0.00 C ATOM 0 H VAL A 22 6.420 6.251 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 22 6.636 3.419 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 22 4.616 5.610 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.234 4.017 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.731 4.445 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.597 2.874 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.164 4.003 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.524 2.860 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.610 4.423 -0.380 1.00 0.00 H new ATOM 304 N LYS A 23 7.714 3.668 -4.340 1.00 0.00 N ATOM 305 CA LYS A 23 8.385 3.767 -5.625 1.00 0.00 C ATOM 306 C LYS A 23 7.474 3.203 -6.717 1.00 0.00 C ATOM 307 O LYS A 23 7.129 2.023 -6.694 1.00 0.00 O ATOM 308 CB LYS A 23 9.759 3.098 -5.565 1.00 0.00 C ATOM 309 CG LYS A 23 10.800 3.910 -6.339 1.00 0.00 C ATOM 310 CD LYS A 23 11.537 4.881 -5.414 1.00 0.00 C ATOM 311 CE LYS A 23 13.011 4.493 -5.276 1.00 0.00 C ATOM 312 NZ LYS A 23 13.865 5.420 -6.051 1.00 0.00 N ATOM 0 H LYS A 23 7.795 2.758 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 23 8.575 4.811 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.072 2.995 -4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.696 2.092 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.516 3.236 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.311 4.465 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.459 5.894 -5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.064 4.883 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.302 4.513 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.159 3.472 -5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.862 5.143 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.598 5.381 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.736 6.389 -5.696 1.00 0.00 H new ATOM 326 N THR A 24 7.110 4.073 -7.647 1.00 0.00 N ATOM 327 CA THR A 24 6.245 3.677 -8.746 1.00 0.00 C ATOM 328 C THR A 24 7.028 3.656 -10.060 1.00 0.00 C ATOM 329 O THR A 24 8.077 4.288 -10.172 1.00 0.00 O ATOM 330 CB THR A 24 5.044 4.625 -8.769 1.00 0.00 C ATOM 331 OG1 THR A 24 5.577 5.847 -9.273 1.00 0.00 O ATOM 332 CG2 THR A 24 4.554 4.983 -7.364 1.00 0.00 C ATOM 0 H THR A 24 7.398 5.051 -7.663 1.00 0.00 H new ATOM 0 HA THR A 24 5.873 2.662 -8.610 1.00 0.00 H new ATOM 0 HB THR A 24 4.230 4.167 -9.331 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.142 6.264 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.701 5.658 -7.437 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.255 4.075 -6.841 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.357 5.472 -6.812 1.00 0.00 H new ATOM 340 N PRO A 25 6.473 2.902 -11.047 1.00 0.00 N ATOM 341 CA PRO A 25 7.108 2.791 -12.350 1.00 0.00 C ATOM 342 C PRO A 25 6.911 4.069 -13.167 1.00 0.00 C ATOM 343 O PRO A 25 6.290 4.042 -14.228 1.00 0.00 O ATOM 344 CB PRO A 25 6.472 1.570 -12.994 1.00 0.00 C ATOM 345 CG PRO A 25 5.183 1.319 -12.228 1.00 0.00 C ATOM 346 CD PRO A 25 5.232 2.140 -10.950 1.00 0.00 C ATOM 0 HA PRO A 25 8.189 2.672 -12.282 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.271 1.746 -14.051 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.136 0.707 -12.935 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.320 1.602 -12.830 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.077 0.259 -11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.368 2.799 -10.869 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.228 1.500 -10.068 1.00 0.00 H new ATOM 354 N GLN A 26 7.451 5.159 -12.641 1.00 0.00 N ATOM 355 CA GLN A 26 7.343 6.445 -13.309 1.00 0.00 C ATOM 356 C GLN A 26 7.962 7.545 -12.444 1.00 0.00 C ATOM 357 O GLN A 26 8.772 8.336 -12.926 1.00 0.00 O ATOM 358 CB GLN A 26 5.886 6.766 -13.646 1.00 0.00 C ATOM 359 CG GLN A 26 5.686 6.883 -15.158 1.00 0.00 C ATOM 360 CD GLN A 26 4.348 7.551 -15.484 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.285 8.628 -16.053 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.285 6.853 -15.093 1.00 0.00 N ATOM 0 H GLN A 26 7.965 5.178 -11.760 1.00 0.00 H new ATOM 0 HA GLN A 26 7.895 6.394 -14.247 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.237 5.986 -13.249 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.595 7.699 -13.164 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.501 7.462 -15.593 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.722 5.892 -15.611 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.408 5.957 -14.621 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.347 7.214 -15.265 1.00 0.00 H new ATOM 371 N ASP A 27 7.556 7.561 -11.183 1.00 0.00 N ATOM 372 CA ASP A 27 8.061 8.551 -10.247 1.00 0.00 C ATOM 373 C ASP A 27 7.991 7.987 -8.827 1.00 0.00 C ATOM 374 O ASP A 27 7.765 6.792 -8.640 1.00 0.00 O ATOM 375 CB ASP A 27 7.220 9.829 -10.291 1.00 0.00 C ATOM 376 CG ASP A 27 8.015 11.120 -10.495 1.00 0.00 C ATOM 377 OD1 ASP A 27 9.004 11.063 -11.258 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.617 12.135 -9.884 1.00 0.00 O ATOM 0 H ASP A 27 6.883 6.904 -10.788 1.00 0.00 H new ATOM 0 HA ASP A 27 9.088 8.785 -10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.491 9.738 -11.096 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.659 9.909 -9.360 1.00 0.00 H new ATOM 383 N CYS A 28 8.188 8.873 -7.862 1.00 0.00 N ATOM 384 CA CYS A 28 8.149 8.479 -6.464 1.00 0.00 C ATOM 385 C CYS A 28 7.089 9.324 -5.755 1.00 0.00 C ATOM 386 O CYS A 28 6.909 10.497 -6.076 1.00 0.00 O ATOM 387 CB CYS A 28 9.522 8.611 -5.801 1.00 0.00 C ATOM 388 SG CYS A 28 9.879 10.371 -5.449 1.00 0.00 S ATOM 0 H CYS A 28 8.375 9.863 -8.021 1.00 0.00 H new ATOM 0 HA CYS A 28 7.881 7.425 -6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.546 8.034 -4.876 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.292 8.199 -6.454 1.00 0.00 H new ATOM 0 HG CYS A 28 8.831 11.090 -5.722 1.00 0.00 H new ATOM 394 N HIS A 29 6.415 8.694 -4.804 1.00 0.00 N ATOM 395 CA HIS A 29 5.377 9.373 -4.047 1.00 0.00 C ATOM 396 C HIS A 29 5.385 8.873 -2.602 1.00 0.00 C ATOM 397 O HIS A 29 4.943 7.759 -2.324 1.00 0.00 O ATOM 398 CB HIS A 29 4.015 9.209 -4.724 1.00 0.00 C ATOM 399 CG HIS A 29 3.432 10.498 -5.252 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.104 11.314 -6.146 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.234 11.102 -5.005 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.336 12.359 -6.416 1.00 0.00 C ATOM 403 NE2 HIS A 29 2.178 12.226 -5.708 1.00 0.00 N ATOM 0 H HIS A 29 6.568 7.721 -4.540 1.00 0.00 H new ATOM 0 HA HIS A 29 5.580 10.444 -4.025 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.113 8.502 -5.548 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.316 8.772 -4.011 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.032 11.140 -6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.462 10.729 -4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 29 3.584 13.174 -7.080 1.00 0.00 H new ATOM 411 N GLU A 30 5.893 9.720 -1.719 1.00 0.00 N ATOM 412 CA GLU A 30 5.965 9.377 -0.308 1.00 0.00 C ATOM 413 C GLU A 30 4.574 9.444 0.325 1.00 0.00 C ATOM 414 O GLU A 30 3.853 10.424 0.148 1.00 0.00 O ATOM 415 CB GLU A 30 6.947 10.290 0.428 1.00 0.00 C ATOM 416 CG GLU A 30 8.225 9.535 0.800 1.00 0.00 C ATOM 417 CD GLU A 30 9.282 10.489 1.361 1.00 0.00 C ATOM 418 OE1 GLU A 30 8.936 11.676 1.543 1.00 0.00 O ATOM 419 OE2 GLU A 30 10.412 10.009 1.594 1.00 0.00 O ATOM 0 H GLU A 30 6.259 10.643 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 30 6.334 8.355 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.196 11.145 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.477 10.683 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.996 8.766 1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.620 9.026 -0.079 1.00 0.00 H new ATOM 426 N PHE A 31 4.239 8.387 1.052 1.00 0.00 N ATOM 427 CA PHE A 31 2.947 8.313 1.712 1.00 0.00 C ATOM 428 C PHE A 31 3.107 8.339 3.234 1.00 0.00 C ATOM 429 O PHE A 31 4.214 8.182 3.748 1.00 0.00 O ATOM 430 CB PHE A 31 2.310 6.984 1.302 1.00 0.00 C ATOM 431 CG PHE A 31 1.836 6.945 -0.153 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.726 6.703 -1.152 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.524 7.152 -0.446 1.00 0.00 C ATOM 434 CE1 PHE A 31 2.286 6.666 -2.501 1.00 0.00 C ATOM 435 CE2 PHE A 31 0.084 7.115 -1.796 1.00 0.00 C ATOM 436 CZ PHE A 31 0.974 6.873 -2.795 1.00 0.00 C ATOM 0 H PHE A 31 4.840 7.576 1.198 1.00 0.00 H new ATOM 0 HA PHE A 31 2.332 9.165 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.032 6.183 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.461 6.782 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.768 6.539 -0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.183 7.344 0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.993 6.473 -3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.958 7.279 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.639 6.845 -3.822 1.00 0.00 H new ATOM 446 N PHE A 32 1.987 8.540 3.912 1.00 0.00 N ATOM 447 CA PHE A 32 1.989 8.589 5.364 1.00 0.00 C ATOM 448 C PHE A 32 0.777 7.852 5.939 1.00 0.00 C ATOM 449 O PHE A 32 -0.333 8.383 5.941 1.00 0.00 O ATOM 450 CB PHE A 32 1.910 10.064 5.762 1.00 0.00 C ATOM 451 CG PHE A 32 3.254 10.794 5.713 1.00 0.00 C ATOM 452 CD1 PHE A 32 4.077 10.777 6.796 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.625 11.461 4.587 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.324 11.455 6.750 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.872 12.139 4.542 1.00 0.00 C ATOM 456 CZ PHE A 32 5.695 12.121 5.625 1.00 0.00 C ATOM 0 H PHE A 32 1.071 8.671 3.482 1.00 0.00 H new ATOM 0 HA PHE A 32 2.889 8.111 5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.208 10.571 5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.505 10.136 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.782 10.248 7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.971 11.475 3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.978 11.441 7.610 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.167 12.669 3.648 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.644 12.636 5.591 1.00 0.00 H new ATOM 466 N LEU A 33 1.031 6.642 6.413 1.00 0.00 N ATOM 467 CA LEU A 33 -0.025 5.827 6.990 1.00 0.00 C ATOM 468 C LEU A 33 0.480 5.186 8.284 1.00 0.00 C ATOM 469 O LEU A 33 1.682 5.172 8.546 1.00 0.00 O ATOM 470 CB LEU A 33 -0.542 4.816 5.964 1.00 0.00 C ATOM 471 CG LEU A 33 0.439 3.717 5.552 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.765 4.315 5.078 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.638 2.707 6.684 1.00 0.00 C ATOM 0 H LEU A 33 1.953 6.206 6.410 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.882 6.446 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.437 4.343 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.845 5.359 5.069 1.00 0.00 H new ATOM 0 HG LEU A 33 0.010 3.175 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.444 3.512 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.586 4.963 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.211 4.897 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.340 1.936 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.034 3.218 7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.318 2.246 6.933 1.00 0.00 H new ATOM 485 N ALA A 34 -0.463 4.672 9.059 1.00 0.00 N ATOM 486 CA ALA A 34 -0.128 4.031 10.320 1.00 0.00 C ATOM 487 C ALA A 34 1.031 3.057 10.100 1.00 0.00 C ATOM 488 O ALA A 34 0.999 2.247 9.176 1.00 0.00 O ATOM 489 CB ALA A 34 -1.370 3.341 10.887 1.00 0.00 C ATOM 0 H ALA A 34 -1.459 4.686 8.839 1.00 0.00 H new ATOM 0 HA ALA A 34 0.197 4.770 11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.119 2.860 11.833 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.153 4.081 11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.723 2.590 10.181 1.00 0.00 H new ATOM 495 N GLU A 35 2.028 3.169 10.966 1.00 0.00 N ATOM 496 CA GLU A 35 3.195 2.309 10.878 1.00 0.00 C ATOM 497 C GLU A 35 2.817 0.865 11.215 1.00 0.00 C ATOM 498 O GLU A 35 3.626 -0.047 11.051 1.00 0.00 O ATOM 499 CB GLU A 35 4.315 2.809 11.793 1.00 0.00 C ATOM 500 CG GLU A 35 3.869 2.810 13.256 1.00 0.00 C ATOM 501 CD GLU A 35 4.963 2.242 14.163 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.649 1.303 13.705 1.00 0.00 O ATOM 503 OE2 GLU A 35 5.089 2.761 15.293 1.00 0.00 O ATOM 0 H GLU A 35 2.051 3.842 11.732 1.00 0.00 H new ATOM 0 HA GLU A 35 3.566 2.338 9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.194 2.175 11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.608 3.817 11.498 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.627 3.827 13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.960 2.219 13.363 1.00 0.00 H new ATOM 510 N ASN A 36 1.587 0.702 11.679 1.00 0.00 N ATOM 511 CA ASN A 36 1.091 -0.615 12.040 1.00 0.00 C ATOM 512 C ASN A 36 -0.175 -0.917 11.235 1.00 0.00 C ATOM 513 O ASN A 36 -1.122 -1.502 11.758 1.00 0.00 O ATOM 514 CB ASN A 36 0.734 -0.682 13.526 1.00 0.00 C ATOM 515 CG ASN A 36 1.683 0.184 14.357 1.00 0.00 C ATOM 516 OD1 ASN A 36 2.890 0.177 14.177 1.00 0.00 O ATOM 517 ND2 ASN A 36 1.073 0.928 15.275 1.00 0.00 N ATOM 0 H ASN A 36 0.919 1.461 11.813 1.00 0.00 H new ATOM 0 HA ASN A 36 1.875 -1.341 11.825 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.293 -0.347 13.673 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.784 -1.715 13.870 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.620 1.540 15.881 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.059 0.887 15.373 1.00 0.00 H new ATOM 524 N SER A 37 -0.150 -0.505 9.976 1.00 0.00 N ATOM 525 CA SER A 37 -1.284 -0.724 9.095 1.00 0.00 C ATOM 526 C SER A 37 -0.994 -1.893 8.151 1.00 0.00 C ATOM 527 O SER A 37 -0.075 -1.824 7.336 1.00 0.00 O ATOM 528 CB SER A 37 -1.610 0.538 8.293 1.00 0.00 C ATOM 529 OG SER A 37 -2.912 1.036 8.588 1.00 0.00 O ATOM 0 H SER A 37 0.638 -0.021 9.545 1.00 0.00 H new ATOM 0 HA SER A 37 -2.152 -0.966 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.869 1.308 8.511 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.538 0.319 7.228 1.00 0.00 H new ATOM 0 HG SER A 37 -3.082 1.842 8.058 1.00 0.00 H new ATOM 535 N ASN A 38 -1.796 -2.938 8.291 1.00 0.00 N ATOM 536 CA ASN A 38 -1.638 -4.120 7.461 1.00 0.00 C ATOM 537 C ASN A 38 -1.281 -3.693 6.036 1.00 0.00 C ATOM 538 O ASN A 38 -1.635 -2.596 5.605 1.00 0.00 O ATOM 539 CB ASN A 38 -2.935 -4.929 7.401 1.00 0.00 C ATOM 540 CG ASN A 38 -4.157 -4.009 7.439 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.349 -3.227 8.355 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.970 -4.146 6.395 1.00 0.00 N ATOM 0 H ASN A 38 -2.558 -2.991 8.967 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.850 -4.734 7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.953 -5.526 6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.973 -5.625 8.239 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.814 -3.577 6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.750 -4.820 5.662 1.00 0.00 H new ATOM 549 N VAL A 39 -0.583 -4.581 5.343 1.00 0.00 N ATOM 550 CA VAL A 39 -0.174 -4.310 3.976 1.00 0.00 C ATOM 551 C VAL A 39 -1.377 -3.800 3.179 1.00 0.00 C ATOM 552 O VAL A 39 -1.274 -2.811 2.456 1.00 0.00 O ATOM 553 CB VAL A 39 0.463 -5.558 3.362 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.437 -5.493 1.834 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.890 -5.755 3.878 1.00 0.00 C ATOM 0 H VAL A 39 -0.290 -5.489 5.703 1.00 0.00 H new ATOM 0 HA VAL A 39 0.586 -3.529 3.954 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.127 -6.421 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.896 -6.392 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.595 -5.423 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.992 -4.617 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.320 -6.649 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.495 -4.888 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.872 -5.869 4.962 1.00 0.00 H new ATOM 565 N ARG A 40 -2.491 -4.499 3.340 1.00 0.00 N ATOM 566 CA ARG A 40 -3.713 -4.130 2.645 1.00 0.00 C ATOM 567 C ARG A 40 -3.967 -2.627 2.781 1.00 0.00 C ATOM 568 O ARG A 40 -3.926 -1.896 1.793 1.00 0.00 O ATOM 569 CB ARG A 40 -4.916 -4.895 3.201 1.00 0.00 C ATOM 570 CG ARG A 40 -5.821 -5.388 2.071 1.00 0.00 C ATOM 571 CD ARG A 40 -7.280 -5.455 2.527 1.00 0.00 C ATOM 572 NE ARG A 40 -8.013 -6.468 1.735 1.00 0.00 N ATOM 573 CZ ARG A 40 -9.348 -6.522 1.635 1.00 0.00 C ATOM 574 NH1 ARG A 40 -10.105 -5.621 2.277 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.926 -7.477 0.894 1.00 0.00 N ATOM 0 H ARG A 40 -2.573 -5.319 3.941 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.587 -4.388 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.571 -5.743 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.484 -4.250 3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.734 -4.721 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.493 -6.374 1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.327 -5.706 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.751 -4.479 2.410 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.467 -7.169 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.665 -4.894 2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.121 -5.662 2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.350 -8.163 0.406 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.942 -7.518 0.818 1.00 0.00 H new ATOM 589 N ARG A 41 -4.224 -2.211 4.012 1.00 0.00 N ATOM 590 CA ARG A 41 -4.485 -0.809 4.289 1.00 0.00 C ATOM 591 C ARG A 41 -3.564 0.078 3.450 1.00 0.00 C ATOM 592 O ARG A 41 -4.034 0.917 2.682 1.00 0.00 O ATOM 593 CB ARG A 41 -4.275 -0.492 5.771 1.00 0.00 C ATOM 594 CG ARG A 41 -5.521 -0.842 6.588 1.00 0.00 C ATOM 595 CD ARG A 41 -5.775 0.205 7.675 1.00 0.00 C ATOM 596 NE ARG A 41 -7.058 -0.076 8.357 1.00 0.00 N ATOM 597 CZ ARG A 41 -7.529 0.632 9.393 1.00 0.00 C ATOM 598 NH1 ARG A 41 -6.825 1.667 9.873 1.00 0.00 N ATOM 599 NH2 ARG A 41 -8.703 0.306 9.950 1.00 0.00 N ATOM 0 H ARG A 41 -4.257 -2.821 4.829 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.524 -0.608 4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.419 -1.051 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.042 0.566 5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.387 -0.905 5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.397 -1.824 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.959 0.196 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.799 1.201 7.234 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.619 -0.857 8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.931 1.916 9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.183 2.206 10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.239 -0.482 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.061 0.845 10.738 1.00 0.00 H new ATOM 613 N PHE A 42 -2.268 -0.137 3.624 1.00 0.00 N ATOM 614 CA PHE A 42 -1.277 0.633 2.892 1.00 0.00 C ATOM 615 C PHE A 42 -1.618 0.691 1.402 1.00 0.00 C ATOM 616 O PHE A 42 -1.531 1.750 0.782 1.00 0.00 O ATOM 617 CB PHE A 42 0.064 -0.082 3.068 1.00 0.00 C ATOM 618 CG PHE A 42 1.260 0.689 2.505 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.180 2.036 2.333 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.402 0.028 2.177 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.290 2.752 1.811 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.512 0.744 1.655 1.00 0.00 C ATOM 623 CZ PHE A 42 3.432 2.091 1.483 1.00 0.00 C ATOM 0 H PHE A 42 -1.882 -0.833 4.261 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.247 1.655 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.230 -0.265 4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.011 -1.056 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.273 2.561 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.465 -1.041 2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.227 3.821 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.419 0.219 1.395 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.276 2.636 1.086 1.00 0.00 H new ATOM 633 N LYS A 43 -2.001 -0.460 0.870 1.00 0.00 N ATOM 634 CA LYS A 43 -2.356 -0.554 -0.536 1.00 0.00 C ATOM 635 C LYS A 43 -3.549 0.361 -0.818 1.00 0.00 C ATOM 636 O LYS A 43 -3.562 1.081 -1.815 1.00 0.00 O ATOM 637 CB LYS A 43 -2.592 -2.012 -0.933 1.00 0.00 C ATOM 638 CG LYS A 43 -1.292 -2.817 -0.862 1.00 0.00 C ATOM 639 CD LYS A 43 -1.581 -4.314 -0.735 1.00 0.00 C ATOM 640 CE LYS A 43 -0.765 -5.117 -1.751 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.391 -6.437 -1.991 1.00 0.00 N ATOM 0 H LYS A 43 -2.073 -1.336 1.387 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.533 -0.207 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.336 -2.457 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.997 -2.056 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.696 -2.632 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.700 -2.484 -0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.344 -4.650 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.644 -4.497 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.696 -4.565 -2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.253 -5.252 -1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.771 -7.187 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.310 -6.479 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.532 -6.574 -3.012 1.00 0.00 H new ATOM 655 N LYS A 44 -4.524 0.302 0.078 1.00 0.00 N ATOM 656 CA LYS A 44 -5.719 1.117 -0.061 1.00 0.00 C ATOM 657 C LYS A 44 -5.317 2.546 -0.432 1.00 0.00 C ATOM 658 O LYS A 44 -5.793 3.090 -1.427 1.00 0.00 O ATOM 659 CB LYS A 44 -6.578 1.028 1.201 1.00 0.00 C ATOM 660 CG LYS A 44 -6.905 -0.428 1.541 1.00 0.00 C ATOM 661 CD LYS A 44 -8.035 -0.511 2.569 1.00 0.00 C ATOM 662 CE LYS A 44 -8.870 -1.777 2.365 1.00 0.00 C ATOM 663 NZ LYS A 44 -9.491 -2.199 3.640 1.00 0.00 N ATOM 0 H LYS A 44 -4.510 -0.298 0.903 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.344 0.741 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.052 1.491 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.502 1.588 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.193 -0.961 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.016 -0.922 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.617 -0.505 3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.674 0.368 2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.644 -1.593 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.239 -2.577 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.081 -3.040 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.747 -2.427 4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.082 -1.428 4.010 1.00 0.00 H new ATOM 677 N GLN A 45 -4.445 3.113 0.389 1.00 0.00 N ATOM 678 CA GLN A 45 -3.974 4.468 0.159 1.00 0.00 C ATOM 679 C GLN A 45 -3.490 4.625 -1.284 1.00 0.00 C ATOM 680 O GLN A 45 -3.747 5.646 -1.921 1.00 0.00 O ATOM 681 CB GLN A 45 -2.869 4.840 1.151 1.00 0.00 C ATOM 682 CG GLN A 45 -3.219 6.123 1.906 1.00 0.00 C ATOM 683 CD GLN A 45 -2.082 7.143 1.810 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.132 8.098 1.052 1.00 0.00 O ATOM 685 NE2 GLN A 45 -1.057 6.888 2.618 1.00 0.00 N ATOM 0 H GLN A 45 -4.053 2.659 1.214 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.807 5.153 0.319 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.723 4.025 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.927 4.973 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.133 6.552 1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.417 5.891 2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.079 6.071 3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.249 7.510 2.628 1.00 0.00 H new ATOM 694 N ILE A 46 -2.799 3.598 -1.758 1.00 0.00 N ATOM 695 CA ILE A 46 -2.278 3.610 -3.114 1.00 0.00 C ATOM 696 C ILE A 46 -3.438 3.477 -4.103 1.00 0.00 C ATOM 697 O ILE A 46 -3.562 4.274 -5.031 1.00 0.00 O ATOM 698 CB ILE A 46 -1.200 2.537 -3.283 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.085 2.712 -2.249 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.659 2.523 -4.714 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.540 1.365 -1.884 1.00 0.00 C ATOM 0 H ILE A 46 -2.588 2.753 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.786 4.560 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.656 1.564 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.682 3.377 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.486 3.186 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.105 1.751 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.472 2.313 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.224 3.495 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.329 1.518 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.225 0.710 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.962 0.905 -2.778 1.00 0.00 H new ATOM 713 N SER A 47 -4.259 2.463 -3.870 1.00 0.00 N ATOM 714 CA SER A 47 -5.404 2.215 -4.729 1.00 0.00 C ATOM 715 C SER A 47 -6.221 3.498 -4.895 1.00 0.00 C ATOM 716 O SER A 47 -6.973 3.640 -5.858 1.00 0.00 O ATOM 717 CB SER A 47 -6.283 1.096 -4.166 1.00 0.00 C ATOM 718 OG SER A 47 -7.118 1.555 -3.107 1.00 0.00 O ATOM 0 H SER A 47 -4.154 1.804 -3.099 1.00 0.00 H new ATOM 0 HA SER A 47 -5.037 1.896 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.902 0.685 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.650 0.286 -3.804 1.00 0.00 H new ATOM 0 HG SER A 47 -6.604 2.147 -2.518 1.00 0.00 H new ATOM 724 N LYS A 48 -6.045 4.401 -3.941 1.00 0.00 N ATOM 725 CA LYS A 48 -6.757 5.668 -3.970 1.00 0.00 C ATOM 726 C LYS A 48 -6.104 6.591 -5.001 1.00 0.00 C ATOM 727 O LYS A 48 -6.685 6.865 -6.050 1.00 0.00 O ATOM 728 CB LYS A 48 -6.834 6.271 -2.566 1.00 0.00 C ATOM 729 CG LYS A 48 -7.805 5.484 -1.684 1.00 0.00 C ATOM 730 CD LYS A 48 -8.663 6.427 -0.838 1.00 0.00 C ATOM 731 CE LYS A 48 -9.923 5.718 -0.335 1.00 0.00 C ATOM 732 NZ LYS A 48 -11.133 6.486 -0.705 1.00 0.00 N ATOM 0 H LYS A 48 -5.420 4.281 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.790 5.518 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.843 6.271 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.156 7.310 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.448 4.863 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.247 4.811 -1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.083 6.790 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.943 7.299 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.977 4.716 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.875 5.603 0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.979 5.991 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.086 7.434 -0.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.186 6.574 -1.740 1.00 0.00 H new ATOM 746 N TYR A 49 -4.905 7.045 -4.667 1.00 0.00 N ATOM 747 CA TYR A 49 -4.167 7.931 -5.550 1.00 0.00 C ATOM 748 C TYR A 49 -4.017 7.316 -6.943 1.00 0.00 C ATOM 749 O TYR A 49 -4.348 7.949 -7.945 1.00 0.00 O ATOM 750 CB TYR A 49 -2.780 8.092 -4.925 1.00 0.00 C ATOM 751 CG TYR A 49 -1.817 8.940 -5.757 1.00 0.00 C ATOM 752 CD1 TYR A 49 -2.250 10.122 -6.323 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.514 8.524 -5.941 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.343 10.920 -7.107 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.393 9.322 -6.725 1.00 0.00 C ATOM 756 CZ TYR A 49 -0.066 10.481 -7.269 1.00 0.00 C ATOM 757 OH TYR A 49 0.790 11.235 -8.009 1.00 0.00 O ATOM 0 H TYR A 49 -4.426 6.815 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.688 8.882 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.887 8.545 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.343 7.105 -4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.269 10.449 -6.178 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.174 7.600 -5.497 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.670 11.846 -7.556 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.415 9.007 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 49 1.668 10.800 -8.039 1.00 0.00 H new ATOM 767 N LEU A 50 -3.516 6.090 -6.963 1.00 0.00 N ATOM 768 CA LEU A 50 -3.318 5.382 -8.216 1.00 0.00 C ATOM 769 C LEU A 50 -4.679 5.006 -8.805 1.00 0.00 C ATOM 770 O LEU A 50 -4.758 4.522 -9.933 1.00 0.00 O ATOM 771 CB LEU A 50 -2.383 4.188 -8.015 1.00 0.00 C ATOM 772 CG LEU A 50 -0.945 4.521 -7.614 1.00 0.00 C ATOM 773 CD1 LEU A 50 -0.911 5.337 -6.320 1.00 0.00 C ATOM 774 CD2 LEU A 50 -0.095 3.253 -7.515 1.00 0.00 C ATOM 0 H LEU A 50 -3.241 5.568 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.823 6.026 -8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.812 3.541 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.357 3.613 -8.940 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.508 5.141 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.123 5.560 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.458 6.269 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.374 4.764 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.923 3.519 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.521 2.587 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.080 2.749 -8.481 1.00 0.00 H new ATOM 786 N HIS A 51 -5.716 5.242 -8.015 1.00 0.00 N ATOM 787 CA HIS A 51 -7.069 4.934 -8.444 1.00 0.00 C ATOM 788 C HIS A 51 -7.082 3.589 -9.175 1.00 0.00 C ATOM 789 O HIS A 51 -7.516 3.507 -10.323 1.00 0.00 O ATOM 790 CB HIS A 51 -7.644 6.073 -9.289 1.00 0.00 C ATOM 791 CG HIS A 51 -6.854 6.368 -10.542 1.00 0.00 C ATOM 792 ND1 HIS A 51 -7.127 5.768 -11.758 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.798 7.205 -10.753 1.00 0.00 C ATOM 794 CE1 HIS A 51 -6.268 6.230 -12.655 1.00 0.00 C ATOM 795 NE2 HIS A 51 -5.444 7.120 -12.030 1.00 0.00 N ATOM 0 H HIS A 51 -5.646 5.643 -7.080 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.718 4.842 -7.573 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.668 5.824 -9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.690 6.976 -8.680 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.864 5.086 -11.934 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.329 7.831 -10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.227 5.951 -13.698 1.00 0.00 H new ATOM 803 N CYS A 52 -6.602 2.569 -8.479 1.00 0.00 N ATOM 804 CA CYS A 52 -6.553 1.233 -9.047 1.00 0.00 C ATOM 805 C CYS A 52 -7.193 0.264 -8.051 1.00 0.00 C ATOM 806 O CYS A 52 -7.726 0.684 -7.025 1.00 0.00 O ATOM 807 CB CYS A 52 -5.123 0.822 -9.404 1.00 0.00 C ATOM 808 SG CYS A 52 -4.616 1.620 -10.971 1.00 0.00 S ATOM 0 H CYS A 52 -6.244 2.641 -7.527 1.00 0.00 H new ATOM 0 HA CYS A 52 -7.111 1.212 -9.983 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.442 1.110 -8.603 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.061 -0.262 -9.501 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.592 2.910 -10.813 1.00 0.00 H new ATOM 814 N ASN A 53 -7.119 -1.015 -8.388 1.00 0.00 N ATOM 815 CA ASN A 53 -7.685 -2.048 -7.536 1.00 0.00 C ATOM 816 C ASN A 53 -6.584 -2.627 -6.644 1.00 0.00 C ATOM 817 O ASN A 53 -5.518 -2.999 -7.132 1.00 0.00 O ATOM 818 CB ASN A 53 -8.269 -3.190 -8.368 1.00 0.00 C ATOM 819 CG ASN A 53 -9.757 -3.383 -8.068 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.482 -2.448 -7.768 1.00 0.00 O ATOM 821 ND2 ASN A 53 -10.170 -4.643 -8.164 1.00 0.00 N ATOM 0 H ASN A 53 -6.676 -1.360 -9.239 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.477 -1.596 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.133 -2.978 -9.429 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.729 -4.113 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.146 -4.875 -7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.510 -5.378 -8.420 1.00 0.00 H new ATOM 828 N ALA A 54 -6.881 -2.685 -5.354 1.00 0.00 N ATOM 829 CA ALA A 54 -5.930 -3.213 -4.391 1.00 0.00 C ATOM 830 C ALA A 54 -5.714 -4.704 -4.657 1.00 0.00 C ATOM 831 O ALA A 54 -4.751 -5.292 -4.170 1.00 0.00 O ATOM 832 CB ALA A 54 -6.436 -2.941 -2.973 1.00 0.00 C ATOM 0 H ALA A 54 -7.766 -2.375 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.965 -2.717 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.723 -3.337 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.544 -1.866 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.402 -3.426 -2.832 1.00 0.00 H new ATOM 838 N ASP A 55 -6.628 -5.272 -5.431 1.00 0.00 N ATOM 839 CA ASP A 55 -6.550 -6.683 -5.768 1.00 0.00 C ATOM 840 C ASP A 55 -5.440 -6.896 -6.799 1.00 0.00 C ATOM 841 O ASP A 55 -5.000 -8.024 -7.019 1.00 0.00 O ATOM 842 CB ASP A 55 -7.863 -7.177 -6.378 1.00 0.00 C ATOM 843 CG ASP A 55 -7.831 -8.611 -6.909 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.908 -9.531 -6.066 1.00 0.00 O ATOM 845 OD2 ASP A 55 -7.729 -8.756 -8.147 1.00 0.00 O ATOM 0 H ASP A 55 -7.426 -4.780 -5.834 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.347 -7.238 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.647 -7.102 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.141 -6.510 -7.194 1.00 0.00 H new ATOM 850 N ARG A 56 -5.020 -5.795 -7.405 1.00 0.00 N ATOM 851 CA ARG A 56 -3.970 -5.847 -8.408 1.00 0.00 C ATOM 852 C ARG A 56 -2.693 -5.195 -7.874 1.00 0.00 C ATOM 853 O ARG A 56 -1.652 -5.234 -8.528 1.00 0.00 O ATOM 854 CB ARG A 56 -4.400 -5.136 -9.693 1.00 0.00 C ATOM 855 CG ARG A 56 -5.806 -5.567 -10.114 1.00 0.00 C ATOM 856 CD ARG A 56 -5.800 -6.996 -10.663 1.00 0.00 C ATOM 857 NE ARG A 56 -6.394 -7.020 -12.018 1.00 0.00 N ATOM 858 CZ ARG A 56 -6.537 -8.129 -12.756 1.00 0.00 C ATOM 859 NH1 ARG A 56 -6.128 -9.311 -12.274 1.00 0.00 N ATOM 860 NH2 ARG A 56 -7.087 -8.057 -13.975 1.00 0.00 N ATOM 0 H ARG A 56 -5.388 -4.862 -7.221 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.779 -6.896 -8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.377 -4.057 -9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.693 -5.361 -10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.480 -5.504 -9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.188 -4.884 -10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.779 -7.377 -10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.363 -7.652 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.715 -6.137 -12.415 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.708 -9.366 -11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.237 -10.156 -12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.397 -7.157 -14.342 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.196 -8.902 -14.536 1.00 0.00 H new ATOM 874 N LEU A 57 -2.815 -4.610 -6.692 1.00 0.00 N ATOM 875 CA LEU A 57 -1.684 -3.950 -6.063 1.00 0.00 C ATOM 876 C LEU A 57 -0.885 -4.975 -5.256 1.00 0.00 C ATOM 877 O LEU A 57 -1.461 -5.865 -4.633 1.00 0.00 O ATOM 878 CB LEU A 57 -2.154 -2.750 -5.239 1.00 0.00 C ATOM 879 CG LEU A 57 -2.688 -1.557 -6.035 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.371 -0.545 -5.114 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.578 -0.914 -6.869 1.00 0.00 C ATOM 0 H LEU A 57 -3.680 -4.579 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.011 -3.544 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.936 -3.086 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.321 -2.408 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.444 -1.921 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.741 0.293 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.205 -1.024 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.654 -0.181 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.984 -0.069 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.783 -0.566 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.176 -1.648 -7.567 1.00 0.00 H new ATOM 893 N VAL A 58 0.430 -4.815 -5.293 1.00 0.00 N ATOM 894 CA VAL A 58 1.314 -5.716 -4.573 1.00 0.00 C ATOM 895 C VAL A 58 2.302 -4.896 -3.741 1.00 0.00 C ATOM 896 O VAL A 58 2.808 -3.874 -4.201 1.00 0.00 O ATOM 897 CB VAL A 58 2.003 -6.668 -5.553 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.760 -7.768 -4.807 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.995 -7.266 -6.537 1.00 0.00 C ATOM 0 H VAL A 58 0.904 -4.075 -5.810 1.00 0.00 H new ATOM 0 HA VAL A 58 0.745 -6.339 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 58 2.729 -6.091 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.241 -8.431 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.518 -7.318 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.062 -8.340 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.511 -7.939 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.235 -7.821 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.520 -6.465 -7.104 1.00 0.00 H new ATOM 909 N LEU A 59 2.547 -5.376 -2.530 1.00 0.00 N ATOM 910 CA LEU A 59 3.466 -4.700 -1.629 1.00 0.00 C ATOM 911 C LEU A 59 4.826 -5.398 -1.678 1.00 0.00 C ATOM 912 O LEU A 59 4.911 -6.613 -1.504 1.00 0.00 O ATOM 913 CB LEU A 59 2.869 -4.611 -0.223 1.00 0.00 C ATOM 914 CG LEU A 59 2.737 -3.204 0.361 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.095 -2.671 0.821 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.057 -2.259 -0.632 1.00 0.00 C ATOM 0 H LEU A 59 2.125 -6.224 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 59 3.625 -3.670 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.881 -5.070 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.486 -5.206 0.450 1.00 0.00 H new ATOM 0 HG LEU A 59 2.098 -3.259 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.972 -1.669 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.504 -3.330 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.778 -2.634 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.976 -1.265 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.649 -2.204 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.061 -2.634 -0.867 1.00 0.00 H new ATOM 928 N ILE A 60 5.857 -4.601 -1.914 1.00 0.00 N ATOM 929 CA ILE A 60 7.209 -5.127 -1.987 1.00 0.00 C ATOM 930 C ILE A 60 8.159 -4.185 -1.244 1.00 0.00 C ATOM 931 O ILE A 60 8.466 -3.097 -1.729 1.00 0.00 O ATOM 932 CB ILE A 60 7.608 -5.380 -3.442 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.667 -6.391 -4.100 1.00 0.00 C ATOM 934 CG2 ILE A 60 9.073 -5.811 -3.542 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.713 -5.698 -5.075 1.00 0.00 C ATOM 0 H ILE A 60 5.783 -3.594 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 60 7.268 -6.096 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 60 7.510 -4.444 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.250 -7.145 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.094 -6.912 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.331 -5.984 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.712 -5.026 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.222 -6.730 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.055 -6.439 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.115 -4.962 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.289 -5.198 -5.854 1.00 0.00 H new ATOM 947 N PHE A 61 8.599 -4.638 -0.079 1.00 0.00 N ATOM 948 CA PHE A 61 9.507 -3.849 0.736 1.00 0.00 C ATOM 949 C PHE A 61 10.889 -4.503 0.807 1.00 0.00 C ATOM 950 O PHE A 61 11.042 -5.577 1.388 1.00 0.00 O ATOM 951 CB PHE A 61 8.911 -3.791 2.143 1.00 0.00 C ATOM 952 CG PHE A 61 9.934 -3.491 3.241 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.318 -2.209 3.481 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.459 -4.508 3.977 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.267 -1.931 4.500 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.409 -4.230 4.995 1.00 0.00 C ATOM 957 CZ PHE A 61 11.793 -2.947 5.235 1.00 0.00 C ATOM 0 H PHE A 61 8.343 -5.541 0.320 1.00 0.00 H new ATOM 0 HA PHE A 61 9.626 -2.855 0.304 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.134 -3.027 2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.428 -4.743 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.901 -1.402 2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.153 -5.526 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.571 -0.913 4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.827 -5.037 5.579 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.516 -2.735 6.009 1.00 0.00 H new ATOM 967 N THR A 62 11.859 -3.830 0.207 1.00 0.00 N ATOM 968 CA THR A 62 13.222 -4.332 0.195 1.00 0.00 C ATOM 969 C THR A 62 13.395 -5.380 -0.906 1.00 0.00 C ATOM 970 O THR A 62 14.494 -5.892 -1.115 1.00 0.00 O ATOM 971 CB THR A 62 13.543 -4.863 1.594 1.00 0.00 C ATOM 972 OG1 THR A 62 14.906 -4.501 1.798 1.00 0.00 O ATOM 973 CG2 THR A 62 13.551 -6.392 1.653 1.00 0.00 C ATOM 0 H THR A 62 11.728 -2.941 -0.275 1.00 0.00 H new ATOM 0 HA THR A 62 13.933 -3.539 -0.039 1.00 0.00 H new ATOM 0 HB THR A 62 12.813 -4.476 2.305 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.197 -4.806 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.784 -6.716 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.570 -6.772 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.304 -6.779 0.967 1.00 0.00 H new ATOM 981 N GLY A 63 12.292 -5.668 -1.582 1.00 0.00 N ATOM 982 CA GLY A 63 12.307 -6.646 -2.657 1.00 0.00 C ATOM 983 C GLY A 63 11.548 -7.912 -2.257 1.00 0.00 C ATOM 984 O GLY A 63 11.460 -8.860 -3.036 1.00 0.00 O ATOM 0 H GLY A 63 11.382 -5.241 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.857 -6.215 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.337 -6.899 -2.909 1.00 0.00 H new ATOM 988 N LYS A 64 11.017 -7.888 -1.043 1.00 0.00 N ATOM 989 CA LYS A 64 10.268 -9.022 -0.530 1.00 0.00 C ATOM 990 C LYS A 64 8.773 -8.702 -0.576 1.00 0.00 C ATOM 991 O LYS A 64 8.335 -7.684 -0.043 1.00 0.00 O ATOM 992 CB LYS A 64 10.771 -9.412 0.861 1.00 0.00 C ATOM 993 CG LYS A 64 12.091 -10.180 0.771 1.00 0.00 C ATOM 994 CD LYS A 64 11.842 -11.681 0.610 1.00 0.00 C ATOM 995 CE LYS A 64 11.341 -12.298 1.917 1.00 0.00 C ATOM 996 NZ LYS A 64 12.276 -13.344 2.388 1.00 0.00 N ATOM 0 H LYS A 64 11.091 -7.100 -0.400 1.00 0.00 H new ATOM 0 HA LYS A 64 10.427 -9.899 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.908 -8.516 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.023 -10.025 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.673 -9.812 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.683 -10.000 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.110 -11.849 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.763 -12.175 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.240 -11.523 2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.351 -12.728 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.921 -13.753 3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.352 -14.091 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.213 -12.924 2.550 1.00 0.00 H new ATOM 1010 N ILE A 65 8.029 -9.592 -1.218 1.00 0.00 N ATOM 1011 CA ILE A 65 6.592 -9.417 -1.341 1.00 0.00 C ATOM 1012 C ILE A 65 5.939 -9.626 0.027 1.00 0.00 C ATOM 1013 O ILE A 65 6.210 -10.617 0.703 1.00 0.00 O ATOM 1014 CB ILE A 65 6.033 -10.329 -2.435 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.674 -10.017 -3.789 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.506 -10.246 -2.491 1.00 0.00 C ATOM 1017 CD1 ILE A 65 5.877 -10.650 -4.931 1.00 0.00 C ATOM 0 H ILE A 65 8.395 -10.436 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 65 6.357 -8.400 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 65 6.290 -11.359 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.725 -8.938 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.698 -10.390 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.134 -10.904 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.089 -10.555 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.205 -9.220 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.354 -10.413 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.848 -11.732 -4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.860 -10.257 -4.927 1.00 0.00 H new ATOM 1029 N LEU A 66 5.091 -8.676 0.393 1.00 0.00 N ATOM 1030 CA LEU A 66 4.397 -8.744 1.668 1.00 0.00 C ATOM 1031 C LEU A 66 3.022 -9.381 1.462 1.00 0.00 C ATOM 1032 O LEU A 66 2.728 -9.899 0.385 1.00 0.00 O ATOM 1033 CB LEU A 66 4.342 -7.361 2.322 1.00 0.00 C ATOM 1034 CG LEU A 66 5.623 -6.528 2.238 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.339 -5.055 2.537 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.710 -7.100 3.150 1.00 0.00 C ATOM 0 H LEU A 66 4.869 -7.855 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 66 4.942 -9.380 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.533 -6.795 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.083 -7.488 3.373 1.00 0.00 H new ATOM 0 HG LEU A 66 6.000 -6.582 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.266 -4.485 2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.622 -4.668 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.926 -4.961 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.609 -6.489 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.358 -7.097 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.938 -8.122 2.848 1.00 0.00 H new ATOM 1048 N ARG A 67 2.215 -9.323 2.511 1.00 0.00 N ATOM 1049 CA ARG A 67 0.877 -9.888 2.459 1.00 0.00 C ATOM 1050 C ARG A 67 -0.107 -8.995 3.217 1.00 0.00 C ATOM 1051 O ARG A 67 0.199 -8.514 4.307 1.00 0.00 O ATOM 1052 CB ARG A 67 0.849 -11.294 3.063 1.00 0.00 C ATOM 1053 CG ARG A 67 1.543 -12.300 2.143 1.00 0.00 C ATOM 1054 CD ARG A 67 0.535 -12.981 1.215 1.00 0.00 C ATOM 1055 NE ARG A 67 1.231 -13.933 0.322 1.00 0.00 N ATOM 1056 CZ ARG A 67 0.610 -14.724 -0.564 1.00 0.00 C ATOM 1057 NH1 ARG A 67 -0.724 -14.682 -0.679 1.00 0.00 N ATOM 1058 NH2 ARG A 67 1.324 -15.557 -1.334 1.00 0.00 N ATOM 0 H ARG A 67 2.462 -8.893 3.402 1.00 0.00 H new ATOM 0 HA ARG A 67 0.584 -9.949 1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.341 -11.286 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.183 -11.601 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.303 -11.791 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.057 -13.052 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.217 -13.506 1.804 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.010 -12.232 0.623 1.00 0.00 H new ATOM 0 HE ARG A 67 2.247 -13.991 0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.267 -14.048 -0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.197 -15.284 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.340 -15.589 -1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.852 -16.159 -2.008 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.269 -8.801 2.611 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.299 -7.974 3.215 1.00 0.00 C ATOM 1074 C ASP A 68 -2.451 -8.352 4.690 1.00 0.00 C ATOM 1075 O ASP A 68 -2.826 -7.519 5.513 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.650 -8.190 2.530 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.821 -9.549 1.850 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.390 -10.549 2.464 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.379 -9.559 0.732 1.00 0.00 O ATOM 0 H ASP A 68 -1.520 -9.203 1.708 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.001 -6.931 3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.440 -8.070 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.791 -7.407 1.785 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.152 -9.610 4.979 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.250 -10.109 6.340 1.00 0.00 C ATOM 1086 C GLN A 69 -0.919 -9.922 7.071 1.00 0.00 C ATOM 1087 O GLN A 69 -0.539 -10.751 7.897 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.683 -11.577 6.356 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.758 -12.431 5.487 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.858 -13.909 5.869 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -2.240 -14.268 6.971 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.495 -14.744 4.899 1.00 0.00 N ATOM 0 H GLN A 69 -1.842 -10.299 4.294 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.014 -9.533 6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.674 -11.951 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.708 -11.662 5.995 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.021 -12.305 4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.729 -12.091 5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.185 -14.377 3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.527 -15.752 5.055 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.248 -8.829 6.742 1.00 0.00 N ATOM 1102 CA ASP A 70 1.032 -8.522 7.357 1.00 0.00 C ATOM 1103 C ASP A 70 1.131 -7.014 7.595 1.00 0.00 C ATOM 1104 O ASP A 70 0.735 -6.221 6.742 1.00 0.00 O ATOM 1105 CB ASP A 70 2.192 -8.935 6.449 1.00 0.00 C ATOM 1106 CG ASP A 70 2.343 -10.443 6.238 1.00 0.00 C ATOM 1107 OD1 ASP A 70 1.302 -11.131 6.298 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.497 -10.873 6.020 1.00 0.00 O ATOM 0 H ASP A 70 -0.567 -8.144 6.057 1.00 0.00 H new ATOM 0 HA ASP A 70 1.095 -9.072 8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.060 -8.459 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.119 -8.548 6.871 1.00 0.00 H new ATOM 1113 N ILE A 71 1.662 -6.664 8.757 1.00 0.00 N ATOM 1114 CA ILE A 71 1.818 -5.265 9.118 1.00 0.00 C ATOM 1115 C ILE A 71 3.151 -4.749 8.573 1.00 0.00 C ATOM 1116 O ILE A 71 4.059 -5.532 8.300 1.00 0.00 O ATOM 1117 CB ILE A 71 1.657 -5.080 10.628 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.193 -5.234 11.047 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.246 -3.743 11.082 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.391 -6.549 10.526 1.00 0.00 C ATOM 0 H ILE A 71 1.990 -7.325 9.461 1.00 0.00 H new ATOM 0 HA ILE A 71 1.032 -4.663 8.662 1.00 0.00 H new ATOM 0 HB ILE A 71 2.219 -5.867 11.130 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.117 -5.204 12.134 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.389 -4.396 10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.119 -3.636 12.159 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.308 -3.711 10.837 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.732 -2.927 10.573 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.432 -6.634 10.838 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.336 -6.566 9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.178 -7.386 10.931 1.00 0.00 H new ATOM 1132 N LEU A 72 3.226 -3.433 8.432 1.00 0.00 N ATOM 1133 CA LEU A 72 4.433 -2.803 7.925 1.00 0.00 C ATOM 1134 C LEU A 72 5.560 -2.977 8.944 1.00 0.00 C ATOM 1135 O LEU A 72 6.505 -3.729 8.708 1.00 0.00 O ATOM 1136 CB LEU A 72 4.159 -1.344 7.553 1.00 0.00 C ATOM 1137 CG LEU A 72 2.924 -1.093 6.686 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.644 0.405 6.552 1.00 0.00 C ATOM 1139 CD2 LEU A 72 3.065 -1.774 5.323 1.00 0.00 C ATOM 0 H LEU A 72 2.471 -2.787 8.660 1.00 0.00 H new ATOM 0 HA LEU A 72 4.758 -3.287 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.055 -0.769 8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.031 -0.953 7.029 1.00 0.00 H new ATOM 0 HG LEU A 72 2.061 -1.539 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.761 0.556 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.470 0.832 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.501 0.895 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.174 -1.580 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.940 -1.379 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.181 -2.849 5.463 1.00 0.00 H new ATOM 1151 N SER A 73 5.425 -2.268 10.056 1.00 0.00 N ATOM 1152 CA SER A 73 6.421 -2.335 11.112 1.00 0.00 C ATOM 1153 C SER A 73 6.785 -3.794 11.396 1.00 0.00 C ATOM 1154 O SER A 73 7.957 -4.164 11.357 1.00 0.00 O ATOM 1155 CB SER A 73 5.918 -1.655 12.386 1.00 0.00 C ATOM 1156 OG SER A 73 6.435 -2.274 13.561 1.00 0.00 O ATOM 0 H SER A 73 4.641 -1.645 10.248 1.00 0.00 H new ATOM 0 HA SER A 73 7.312 -1.804 10.777 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.205 -0.604 12.374 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.829 -1.687 12.408 1.00 0.00 H new ATOM 0 HG SER A 73 6.092 -1.810 14.353 1.00 0.00 H new ATOM 1162 N GLN A 74 5.758 -4.582 11.677 1.00 0.00 N ATOM 1163 CA GLN A 74 5.954 -5.992 11.968 1.00 0.00 C ATOM 1164 C GLN A 74 6.872 -6.627 10.921 1.00 0.00 C ATOM 1165 O GLN A 74 7.784 -7.378 11.264 1.00 0.00 O ATOM 1166 CB GLN A 74 4.616 -6.729 12.043 1.00 0.00 C ATOM 1167 CG GLN A 74 3.767 -6.207 13.205 1.00 0.00 C ATOM 1168 CD GLN A 74 2.926 -7.329 13.816 1.00 0.00 C ATOM 1169 OE1 GLN A 74 3.376 -8.090 14.658 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.682 -7.389 13.348 1.00 0.00 N ATOM 0 H GLN A 74 4.787 -4.271 11.709 1.00 0.00 H new ATOM 0 HA GLN A 74 6.433 -6.078 12.943 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.074 -6.602 11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.792 -7.798 12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.415 -5.776 13.968 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.114 -5.408 12.853 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.369 -6.721 12.643 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.041 -8.103 13.694 1.00 0.00 H new ATOM 1179 N ARG A 75 6.598 -6.303 9.666 1.00 0.00 N ATOM 1180 CA ARG A 75 7.387 -6.833 8.567 1.00 0.00 C ATOM 1181 C ARG A 75 8.803 -6.255 8.604 1.00 0.00 C ATOM 1182 O ARG A 75 9.777 -6.975 8.387 1.00 0.00 O ATOM 1183 CB ARG A 75 6.744 -6.503 7.218 1.00 0.00 C ATOM 1184 CG ARG A 75 5.705 -7.559 6.833 1.00 0.00 C ATOM 1185 CD ARG A 75 6.363 -8.924 6.621 1.00 0.00 C ATOM 1186 NE ARG A 75 5.661 -9.663 5.549 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.166 -10.732 4.918 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.380 -11.193 5.248 1.00 0.00 N ATOM 1189 NH2 ARG A 75 5.457 -11.340 3.957 1.00 0.00 N ATOM 0 H ARG A 75 5.841 -5.680 9.386 1.00 0.00 H new ATOM 0 HA ARG A 75 7.429 -7.916 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.270 -5.523 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.514 -6.447 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.950 -7.633 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.191 -7.253 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.413 -8.794 6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.336 -9.498 7.547 1.00 0.00 H new ATOM 0 HE ARG A 75 4.734 -9.339 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.920 -10.730 5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.764 -12.007 4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.533 -10.989 3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.842 -12.154 3.477 1.00 0.00 H new ATOM 1203 N GLY A 76 8.873 -4.961 8.880 1.00 0.00 N ATOM 1204 CA GLY A 76 10.154 -4.279 8.948 1.00 0.00 C ATOM 1205 C GLY A 76 10.016 -2.811 8.539 1.00 0.00 C ATOM 1206 O GLY A 76 10.746 -1.954 9.033 1.00 0.00 O ATOM 0 H GLY A 76 8.063 -4.367 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.550 -4.342 9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.870 -4.777 8.294 1.00 0.00 H new ATOM 1210 N ILE A 77 9.073 -2.567 7.640 1.00 0.00 N ATOM 1211 CA ILE A 77 8.830 -1.218 7.158 1.00 0.00 C ATOM 1212 C ILE A 77 8.776 -0.258 8.348 1.00 0.00 C ATOM 1213 O ILE A 77 7.839 -0.302 9.144 1.00 0.00 O ATOM 1214 CB ILE A 77 7.577 -1.180 6.281 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.848 -1.809 4.912 1.00 0.00 C ATOM 1216 CG2 ILE A 77 7.035 0.245 6.160 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.562 -2.372 4.303 1.00 0.00 C ATOM 0 H ILE A 77 8.469 -3.281 7.233 1.00 0.00 H new ATOM 0 HA ILE A 77 9.649 -0.889 6.519 1.00 0.00 H new ATOM 0 HB ILE A 77 6.804 -1.778 6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.275 -1.062 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.586 -2.605 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.144 0.243 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.780 0.622 7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.794 0.886 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.782 -2.813 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.151 -3.136 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.835 -1.569 4.181 1.00 0.00 H new ATOM 1229 N LEU A 78 9.793 0.587 8.433 1.00 0.00 N ATOM 1230 CA LEU A 78 9.873 1.556 9.513 1.00 0.00 C ATOM 1231 C LEU A 78 9.702 2.965 8.942 1.00 0.00 C ATOM 1232 O LEU A 78 9.279 3.128 7.798 1.00 0.00 O ATOM 1233 CB LEU A 78 11.167 1.367 10.307 1.00 0.00 C ATOM 1234 CG LEU A 78 11.012 1.245 11.824 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.142 0.041 12.191 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.377 1.197 12.513 1.00 0.00 C ATOM 0 H LEU A 78 10.569 0.621 7.771 1.00 0.00 H new ATOM 0 HA LEU A 78 9.063 1.400 10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.667 0.471 9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.826 2.209 10.096 1.00 0.00 H new ATOM 0 HG LEU A 78 10.499 2.136 12.188 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.048 -0.023 13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.153 0.158 11.747 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.604 -0.871 11.813 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.238 1.110 13.591 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.938 0.336 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.929 2.110 12.291 1.00 0.00 H new ATOM 1248 N ASP A 79 10.041 3.947 9.764 1.00 0.00 N ATOM 1249 CA ASP A 79 9.930 5.337 9.355 1.00 0.00 C ATOM 1250 C ASP A 79 11.047 5.662 8.361 1.00 0.00 C ATOM 1251 O ASP A 79 12.222 5.436 8.646 1.00 0.00 O ATOM 1252 CB ASP A 79 10.074 6.277 10.553 1.00 0.00 C ATOM 1253 CG ASP A 79 11.134 5.862 11.576 1.00 0.00 C ATOM 1254 OD1 ASP A 79 10.943 4.788 12.187 1.00 0.00 O ATOM 1255 OD2 ASP A 79 12.110 6.628 11.724 1.00 0.00 O ATOM 0 H ASP A 79 10.393 3.808 10.711 1.00 0.00 H new ATOM 0 HA ASP A 79 8.948 5.478 8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.315 7.275 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.111 6.348 11.058 1.00 0.00 H new ATOM 1260 N GLY A 80 10.641 6.188 7.214 1.00 0.00 N ATOM 1261 CA GLY A 80 11.592 6.547 6.177 1.00 0.00 C ATOM 1262 C GLY A 80 12.076 5.306 5.424 1.00 0.00 C ATOM 1263 O GLY A 80 13.275 5.138 5.202 1.00 0.00 O ATOM 0 H GLY A 80 9.666 6.374 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.128 7.243 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.443 7.062 6.622 1.00 0.00 H new ATOM 1267 N SER A 81 11.120 4.468 5.051 1.00 0.00 N ATOM 1268 CA SER A 81 11.433 3.248 4.328 1.00 0.00 C ATOM 1269 C SER A 81 10.929 3.349 2.887 1.00 0.00 C ATOM 1270 O SER A 81 10.037 4.144 2.592 1.00 0.00 O ATOM 1271 CB SER A 81 10.823 2.026 5.018 1.00 0.00 C ATOM 1272 OG SER A 81 11.087 2.018 6.419 1.00 0.00 O ATOM 0 H SER A 81 10.127 4.611 5.236 1.00 0.00 H new ATOM 0 HA SER A 81 12.516 3.125 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.746 2.016 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.224 1.118 4.568 1.00 0.00 H new ATOM 0 HG SER A 81 10.588 2.743 6.850 1.00 0.00 H new ATOM 1278 N THR A 82 11.522 2.534 2.028 1.00 0.00 N ATOM 1279 CA THR A 82 11.145 2.522 0.624 1.00 0.00 C ATOM 1280 C THR A 82 10.374 1.243 0.290 1.00 0.00 C ATOM 1281 O THR A 82 10.804 0.145 0.642 1.00 0.00 O ATOM 1282 CB THR A 82 12.415 2.701 -0.209 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.854 4.020 0.107 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.128 2.754 -1.711 1.00 0.00 C ATOM 0 H THR A 82 12.261 1.877 2.277 1.00 0.00 H new ATOM 0 HA THR A 82 10.468 3.343 0.390 1.00 0.00 H new ATOM 0 HB THR A 82 13.104 1.883 -0.000 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.675 4.219 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.063 2.882 -2.256 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.650 1.825 -2.023 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.465 3.593 -1.925 1.00 0.00 H new ATOM 1292 N VAL A 83 9.249 1.427 -0.385 1.00 0.00 N ATOM 1293 CA VAL A 83 8.415 0.302 -0.770 1.00 0.00 C ATOM 1294 C VAL A 83 8.022 0.445 -2.242 1.00 0.00 C ATOM 1295 O VAL A 83 7.520 1.489 -2.656 1.00 0.00 O ATOM 1296 CB VAL A 83 7.208 0.201 0.164 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.474 -1.128 -0.029 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.626 0.390 1.623 1.00 0.00 C ATOM 0 H VAL A 83 8.896 2.339 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 83 8.965 -0.634 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 83 6.518 1.005 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.620 -1.174 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.126 -1.205 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.153 -1.953 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.749 0.314 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.346 -0.381 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.082 1.372 1.747 1.00 0.00 H new ATOM 1308 N HIS A 84 8.265 -0.620 -2.992 1.00 0.00 N ATOM 1309 CA HIS A 84 7.943 -0.627 -4.409 1.00 0.00 C ATOM 1310 C HIS A 84 6.459 -0.949 -4.596 1.00 0.00 C ATOM 1311 O HIS A 84 5.938 -1.873 -3.974 1.00 0.00 O ATOM 1312 CB HIS A 84 8.859 -1.587 -5.170 1.00 0.00 C ATOM 1313 CG HIS A 84 10.272 -1.082 -5.341 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.666 -0.306 -6.417 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.379 -1.249 -4.561 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.954 -0.025 -6.281 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.394 -0.611 -5.131 1.00 0.00 N ATOM 0 H HIS A 84 8.681 -1.484 -2.645 1.00 0.00 H new ATOM 0 HA HIS A 84 8.120 0.362 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.886 -2.541 -4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.431 -1.778 -6.154 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.422 -1.806 -3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.550 0.565 -6.961 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.346 -0.566 -4.768 1.00 0.00 H new ATOM 1325 N VAL A 85 5.821 -0.170 -5.457 1.00 0.00 N ATOM 1326 CA VAL A 85 4.407 -0.361 -5.734 1.00 0.00 C ATOM 1327 C VAL A 85 4.247 -1.043 -7.094 1.00 0.00 C ATOM 1328 O VAL A 85 5.068 -0.852 -7.989 1.00 0.00 O ATOM 1329 CB VAL A 85 3.671 0.977 -5.646 1.00 0.00 C ATOM 1330 CG1 VAL A 85 4.011 1.870 -6.841 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.160 0.765 -5.531 1.00 0.00 C ATOM 0 H VAL A 85 6.257 0.595 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 85 3.956 -1.014 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 85 4.007 1.486 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.474 2.815 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.084 2.062 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.717 1.370 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.661 1.732 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.801 0.226 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.941 0.186 -4.634 1.00 0.00 H new ATOM 1341 N VAL A 86 3.182 -1.824 -7.206 1.00 0.00 N ATOM 1342 CA VAL A 86 2.903 -2.536 -8.442 1.00 0.00 C ATOM 1343 C VAL A 86 1.396 -2.518 -8.707 1.00 0.00 C ATOM 1344 O VAL A 86 0.599 -2.443 -7.773 1.00 0.00 O ATOM 1345 CB VAL A 86 3.481 -3.951 -8.373 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.757 -4.887 -9.343 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.987 -3.941 -8.641 1.00 0.00 C ATOM 0 H VAL A 86 2.502 -1.979 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 86 3.387 -2.042 -9.285 1.00 0.00 H new ATOM 0 HB VAL A 86 3.323 -4.329 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.187 -5.886 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.699 -4.929 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.869 -4.513 -10.361 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.373 -4.959 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.177 -3.534 -9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.485 -3.323 -7.894 1.00 0.00 H new ATOM 1357 N VAL A 87 1.051 -2.588 -9.984 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.346 -2.580 -10.383 1.00 0.00 C ATOM 1359 C VAL A 87 -0.571 -3.647 -11.457 1.00 0.00 C ATOM 1360 O VAL A 87 -0.836 -3.323 -12.613 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.752 -1.178 -10.840 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.148 -0.689 -11.977 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -2.225 -1.141 -11.252 1.00 0.00 C ATOM 0 H VAL A 87 1.715 -2.651 -10.756 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.986 -2.829 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.623 -0.500 -9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.163 0.310 -12.283 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.182 -0.659 -11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.066 -1.370 -12.824 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.488 -0.133 -11.573 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.391 -1.838 -12.074 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.847 -1.426 -10.404 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.456 -4.898 -11.035 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.643 -6.014 -11.946 1.00 0.00 C ATOM 1375 C ARG A 88 -1.805 -5.731 -12.901 1.00 0.00 C ATOM 1376 O ARG A 88 -2.818 -5.162 -12.500 1.00 0.00 O ATOM 1377 CB ARG A 88 -0.926 -7.309 -11.180 1.00 0.00 C ATOM 1378 CG ARG A 88 0.372 -7.941 -10.675 1.00 0.00 C ATOM 1379 CD ARG A 88 0.087 -9.001 -9.609 1.00 0.00 C ATOM 1380 NE ARG A 88 0.733 -10.279 -9.980 1.00 0.00 N ATOM 1381 CZ ARG A 88 2.047 -10.516 -9.873 1.00 0.00 C ATOM 1382 NH1 ARG A 88 2.864 -9.562 -9.405 1.00 0.00 N ATOM 1383 NH2 ARG A 88 2.546 -11.706 -10.234 1.00 0.00 N ATOM 0 H ARG A 88 -0.236 -5.163 -10.075 1.00 0.00 H new ATOM 0 HA ARG A 88 0.279 -6.135 -12.515 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.585 -7.101 -10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.449 -8.012 -11.828 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.909 -8.394 -11.509 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.020 -7.168 -10.261 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.458 -8.664 -8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.989 -9.144 -9.506 1.00 0.00 H new ATOM 0 HE ARG A 88 0.140 -11.027 -10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.485 -8.656 -9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.865 -9.742 -9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.925 -12.432 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.547 -11.885 -10.152 1.00 0.00 H new ATOM 1397 N SER A 89 -1.618 -6.142 -14.147 1.00 0.00 N ATOM 1398 CA SER A 89 -2.638 -5.939 -15.162 1.00 0.00 C ATOM 1399 C SER A 89 -2.593 -7.078 -16.183 1.00 0.00 C ATOM 1400 O SER A 89 -1.555 -7.713 -16.364 1.00 0.00 O ATOM 1401 CB SER A 89 -2.457 -4.591 -15.863 1.00 0.00 C ATOM 1402 OG SER A 89 -3.594 -4.240 -16.647 1.00 0.00 O ATOM 0 H SER A 89 -0.776 -6.614 -14.476 1.00 0.00 H new ATOM 0 HA SER A 89 -3.612 -5.936 -14.673 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.277 -3.816 -15.118 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.574 -4.630 -16.501 1.00 0.00 H new ATOM 0 HG SER A 89 -3.440 -3.373 -17.077 1.00 0.00 H new ATOM 1408 N HIS A 90 -3.731 -7.301 -16.824 1.00 0.00 N ATOM 1409 CA HIS A 90 -3.834 -8.351 -17.822 1.00 0.00 C ATOM 1410 C HIS A 90 -3.746 -9.718 -17.140 1.00 0.00 C ATOM 1411 O HIS A 90 -3.280 -9.821 -16.006 1.00 0.00 O ATOM 1412 CB HIS A 90 -2.782 -8.166 -18.917 1.00 0.00 C ATOM 1413 CG HIS A 90 -2.756 -6.781 -19.517 1.00 0.00 C ATOM 1414 ND1 HIS A 90 -1.724 -5.886 -19.294 1.00 0.00 N ATOM 1415 CD2 HIS A 90 -3.646 -6.147 -20.333 1.00 0.00 C ATOM 1416 CE1 HIS A 90 -1.991 -4.767 -19.951 1.00 0.00 C ATOM 1417 NE2 HIS A 90 -3.183 -4.930 -20.594 1.00 0.00 N ATOM 0 H HIS A 90 -4.590 -6.772 -16.671 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.803 -8.292 -18.317 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -1.799 -8.390 -18.503 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.967 -8.891 -19.710 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.571 -6.564 -20.704 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.373 -3.881 -19.974 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -3.643 -4.232 -21.179 1.00 0.00 H new ATOM 1425 N SER A 91 -4.202 -10.733 -17.859 1.00 0.00 N ATOM 1426 CA SER A 91 -4.180 -12.089 -17.337 1.00 0.00 C ATOM 1427 C SER A 91 -3.803 -13.071 -18.448 1.00 0.00 C ATOM 1428 O SER A 91 -4.656 -13.490 -19.228 1.00 0.00 O ATOM 1429 CB SER A 91 -5.533 -12.468 -16.731 1.00 0.00 C ATOM 1430 OG SER A 91 -5.427 -13.570 -15.835 1.00 0.00 O ATOM 0 H SER A 91 -4.589 -10.644 -18.799 1.00 0.00 H new ATOM 0 HA SER A 91 -3.431 -12.139 -16.546 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.947 -11.609 -16.202 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.231 -12.717 -17.530 1.00 0.00 H new ATOM 0 HG SER A 91 -6.311 -13.780 -15.468 1.00 0.00 H new ATOM 1436 N GLY A 92 -2.522 -13.410 -18.484 1.00 0.00 N ATOM 1437 CA GLY A 92 -2.021 -14.336 -19.486 1.00 0.00 C ATOM 1438 C GLY A 92 -1.090 -13.626 -20.471 1.00 0.00 C ATOM 1439 O GLY A 92 -0.364 -12.708 -20.092 1.00 0.00 O ATOM 0 H GLY A 92 -1.817 -13.060 -17.836 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.487 -15.151 -18.998 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.857 -14.781 -20.026 1.00 0.00 H new ATOM 1443 N PRO A 93 -1.143 -14.089 -21.748 1.00 0.00 N ATOM 1444 CA PRO A 93 -0.314 -13.509 -22.790 1.00 0.00 C ATOM 1445 C PRO A 93 -0.854 -12.145 -23.226 1.00 0.00 C ATOM 1446 O PRO A 93 -0.100 -11.181 -23.336 1.00 0.00 O ATOM 1447 CB PRO A 93 -0.316 -14.535 -23.912 1.00 0.00 C ATOM 1448 CG PRO A 93 -1.513 -15.435 -23.651 1.00 0.00 C ATOM 1449 CD PRO A 93 -1.991 -15.174 -22.232 1.00 0.00 C ATOM 0 HA PRO A 93 0.703 -13.308 -22.454 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.397 -14.050 -24.885 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.611 -15.109 -23.918 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.309 -15.228 -24.366 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.237 -16.482 -23.775 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.044 -14.892 -22.215 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.889 -16.063 -21.610 1.00 0.00 H new ATOM 1457 N SER A 94 -2.158 -12.109 -23.461 1.00 0.00 N ATOM 1458 CA SER A 94 -2.808 -10.880 -23.882 1.00 0.00 C ATOM 1459 C SER A 94 -2.326 -9.711 -23.021 1.00 0.00 C ATOM 1460 O SER A 94 -2.661 -9.625 -21.841 1.00 0.00 O ATOM 1461 CB SER A 94 -4.331 -11.007 -23.800 1.00 0.00 C ATOM 1462 OG SER A 94 -4.792 -11.046 -22.452 1.00 0.00 O ATOM 0 H SER A 94 -2.781 -12.911 -23.368 1.00 0.00 H new ATOM 0 HA SER A 94 -2.541 -10.691 -24.922 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.793 -10.166 -24.317 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.648 -11.912 -24.318 1.00 0.00 H new ATOM 0 HG SER A 94 -4.100 -10.686 -21.859 1.00 0.00 H new ATOM 1468 N SER A 95 -1.547 -8.840 -23.645 1.00 0.00 N ATOM 1469 CA SER A 95 -1.015 -7.680 -22.951 1.00 0.00 C ATOM 1470 C SER A 95 -0.787 -6.537 -23.941 1.00 0.00 C ATOM 1471 O SER A 95 -0.289 -6.756 -25.044 1.00 0.00 O ATOM 1472 CB SER A 95 0.288 -8.022 -22.226 1.00 0.00 C ATOM 1473 OG SER A 95 0.657 -7.015 -21.288 1.00 0.00 O ATOM 0 H SER A 95 -1.271 -8.914 -24.624 1.00 0.00 H new ATOM 0 HA SER A 95 -1.743 -7.365 -22.204 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.176 -8.975 -21.709 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.087 -8.147 -22.956 1.00 0.00 H new ATOM 0 HG SER A 95 -0.126 -6.760 -20.757 1.00 0.00 H new ATOM 1479 N GLY A 96 -1.162 -5.341 -23.512 1.00 0.00 N ATOM 1480 CA GLY A 96 -1.004 -4.162 -24.347 1.00 0.00 C ATOM 1481 C GLY A 96 0.422 -4.063 -24.892 1.00 0.00 C ATOM 1482 O GLY A 96 0.731 -4.629 -25.939 1.00 0.00 O ATOM 0 H GLY A 96 -1.575 -5.163 -22.597 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.712 -4.201 -25.175 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.239 -3.268 -23.769 1.00 0.00 H new TER 1486 GLY A 96