USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1110 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 Single : A 2 LYS NZ :NH3+ 165:sc=-0.00938 (180deg=-0.173) USER MOD Single : A 4 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.6!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.43) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= 0.269 (180deg=0.0814) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= -0.0102 (180deg=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0865 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.107) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= 1.27 (180deg=0.0609) USER MOD Single : A 49 TYR OH : rot -58:sc= 0.278 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 59 GLN : amide:sc= -0.0863 K(o=-0.086,f=-0.79) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= -0.175 K(o=-0.17,f=-4.8!) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 66:sc= 0.894 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -174:sc= -0.71 (180deg=-0.929) USER MOD Single : A 93 GLN : amide:sc= -0.909 X(o=-0.91,f=-0.91) USER MOD Single : A 95 TYR OH : rot 180:sc= 0.346 USER MOD Single : A 98 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.35) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -140:sc= 1.25 USER MOD Single : A 113 SER OG : rot -78:sc= 0.333 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl -164:sc= 0 (180deg=-0.125) USER MOD Single : B 726 SER OG : rot 180:sc= 0 USER MOD Single : B 728 SER OG : rot 180:sc= 0.0178 USER MOD Single : B 729 SER OG : rot 140:sc= 0.0116 USER MOD Single : B 732 TYR OH : rot -47:sc= 0.611 USER MOD Single : B 739 SER OG : rot 180:sc= -0.0701 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -11.911 16.662 -16.805 1.00 0.00 N ATOM 2 CA GLY A -3 -11.296 15.522 -17.493 1.00 0.00 C ATOM 3 C GLY A -3 -11.745 14.218 -16.876 1.00 0.00 C ATOM 4 O GLY A -3 -12.772 13.675 -17.275 1.00 0.00 O ATOM 0 H1 GLY A -3 -11.589 17.548 -17.245 1.00 0.00 H new ATOM 0 H2 GLY A -3 -12.946 16.595 -16.879 1.00 0.00 H new ATOM 0 H3 GLY A -3 -11.634 16.653 -15.802 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -11.564 15.541 -18.549 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -10.210 15.601 -17.438 1.00 0.00 H new ATOM 8 N SER A -2 -10.974 13.702 -15.924 1.00 0.00 N ATOM 9 CA SER A -2 -11.248 12.461 -15.212 1.00 0.00 C ATOM 10 C SER A -2 -10.890 12.679 -13.735 1.00 0.00 C ATOM 11 O SER A -2 -10.139 13.615 -13.426 1.00 0.00 O ATOM 12 CB SER A -2 -10.455 11.311 -15.862 1.00 0.00 C ATOM 13 OG SER A -2 -9.123 11.671 -16.206 1.00 0.00 O ATOM 0 H SER A -2 -10.112 14.153 -15.617 1.00 0.00 H new ATOM 0 HA SER A -2 -12.300 12.183 -15.270 1.00 0.00 H new ATOM 0 HB2 SER A -2 -10.430 10.464 -15.177 1.00 0.00 H new ATOM 0 HB3 SER A -2 -10.978 10.980 -16.759 1.00 0.00 H new ATOM 0 HG SER A -2 -8.671 10.902 -16.612 1.00 0.00 H new ATOM 19 N PRO A -1 -11.430 11.885 -12.796 1.00 0.00 N ATOM 20 CA PRO A -1 -11.119 12.047 -11.383 1.00 0.00 C ATOM 21 C PRO A -1 -9.663 11.656 -11.135 1.00 0.00 C ATOM 22 O PRO A -1 -9.054 10.939 -11.931 1.00 0.00 O ATOM 23 CB PRO A -1 -12.099 11.135 -10.646 1.00 0.00 C ATOM 24 CG PRO A -1 -12.371 10.023 -11.658 1.00 0.00 C ATOM 25 CD PRO A -1 -12.327 10.755 -12.997 1.00 0.00 C ATOM 0 HA PRO A -1 -11.224 13.075 -11.035 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -11.669 10.744 -9.724 1.00 0.00 H new ATOM 0 HB3 PRO A -1 -13.013 11.663 -10.373 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -11.619 9.236 -11.604 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -13.339 9.551 -11.488 1.00 0.00 H new ATOM 0 HD2 PRO A -1 -11.963 10.101 -13.789 1.00 0.00 H new ATOM 0 HD3 PRO A -1 -13.321 11.091 -13.293 1.00 0.00 H new ATOM 33 N GLU A 0 -9.084 12.121 -10.035 1.00 0.00 N ATOM 34 CA GLU A 0 -7.713 11.829 -9.658 1.00 0.00 C ATOM 35 C GLU A 0 -7.633 11.622 -8.147 1.00 0.00 C ATOM 36 O GLU A 0 -8.642 11.693 -7.445 1.00 0.00 O ATOM 37 CB GLU A 0 -6.757 12.928 -10.164 1.00 0.00 C ATOM 38 CG GLU A 0 -6.858 14.284 -9.436 1.00 0.00 C ATOM 39 CD GLU A 0 -7.607 15.355 -10.232 1.00 0.00 C ATOM 40 OE1 GLU A 0 -7.056 15.815 -11.258 1.00 0.00 O ATOM 41 OE2 GLU A 0 -8.684 15.831 -9.791 1.00 0.00 O ATOM 0 H GLU A 0 -9.567 12.724 -9.369 1.00 0.00 H new ATOM 0 HA GLU A 0 -7.390 10.904 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 0 -5.734 12.564 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 0 -6.947 13.090 -11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 0 -7.360 14.137 -8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 0 -5.853 14.644 -9.216 1.00 0.00 H new ATOM 48 N PHE A 1 -6.420 11.359 -7.670 1.00 0.00 N ATOM 49 CA PHE A 1 -6.058 11.129 -6.281 1.00 0.00 C ATOM 50 C PHE A 1 -4.782 11.932 -5.995 1.00 0.00 C ATOM 51 O PHE A 1 -4.166 12.467 -6.930 1.00 0.00 O ATOM 52 CB PHE A 1 -5.884 9.615 -6.086 1.00 0.00 C ATOM 53 CG PHE A 1 -7.187 8.848 -6.224 1.00 0.00 C ATOM 54 CD1 PHE A 1 -8.080 8.782 -5.140 1.00 0.00 C ATOM 55 CD2 PHE A 1 -7.538 8.255 -7.452 1.00 0.00 C ATOM 56 CE1 PHE A 1 -9.307 8.112 -5.270 1.00 0.00 C ATOM 57 CE2 PHE A 1 -8.774 7.599 -7.592 1.00 0.00 C ATOM 58 CZ PHE A 1 -9.651 7.518 -6.494 1.00 0.00 C ATOM 0 H PHE A 1 -5.611 11.297 -8.288 1.00 0.00 H new ATOM 0 HA PHE A 1 -6.821 11.462 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -5.168 9.240 -6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -5.460 9.427 -5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -7.821 9.250 -4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -6.856 8.304 -8.288 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -9.984 8.054 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -9.049 7.159 -8.539 1.00 0.00 H new ATOM 0 HZ PHE A 1 -10.592 6.997 -6.594 1.00 0.00 H new ATOM 68 N LYS A 2 -4.350 12.027 -4.737 1.00 0.00 N ATOM 69 CA LYS A 2 -3.149 12.767 -4.326 1.00 0.00 C ATOM 70 C LYS A 2 -2.377 11.950 -3.288 1.00 0.00 C ATOM 71 O LYS A 2 -2.530 10.728 -3.253 1.00 0.00 O ATOM 72 CB LYS A 2 -3.510 14.167 -3.790 1.00 0.00 C ATOM 73 CG LYS A 2 -4.569 14.949 -4.586 1.00 0.00 C ATOM 74 CD LYS A 2 -4.534 16.445 -4.238 1.00 0.00 C ATOM 75 CE LYS A 2 -3.415 17.201 -4.958 1.00 0.00 C ATOM 76 NZ LYS A 2 -3.620 17.262 -6.417 1.00 0.00 N ATOM 0 H LYS A 2 -4.833 11.583 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.511 12.918 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.863 14.060 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.599 14.765 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.395 14.817 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.559 14.546 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.493 16.895 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.408 16.559 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.352 18.214 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.461 16.717 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.992 17.984 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.403 16.336 -6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.610 17.510 -6.618 1.00 0.00 H new ATOM 90 N PHE A 3 -1.476 12.596 -2.539 1.00 0.00 N ATOM 91 CA PHE A 3 -0.675 11.965 -1.494 1.00 0.00 C ATOM 92 C PHE A 3 -1.595 11.433 -0.397 1.00 0.00 C ATOM 93 O PHE A 3 -2.661 12.005 -0.158 1.00 0.00 O ATOM 94 CB PHE A 3 0.283 12.992 -0.866 1.00 0.00 C ATOM 95 CG PHE A 3 1.606 13.150 -1.584 1.00 0.00 C ATOM 96 CD1 PHE A 3 1.697 13.865 -2.791 1.00 0.00 C ATOM 97 CD2 PHE A 3 2.757 12.548 -1.043 1.00 0.00 C ATOM 98 CE1 PHE A 3 2.931 13.943 -3.461 1.00 0.00 C ATOM 99 CE2 PHE A 3 3.972 12.564 -1.742 1.00 0.00 C ATOM 100 CZ PHE A 3 4.059 13.278 -2.948 1.00 0.00 C ATOM 0 H PHE A 3 -1.283 13.592 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.103 11.151 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -0.215 13.961 -0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 3 0.479 12.701 0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.824 14.351 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.704 12.068 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.013 14.516 -4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.831 12.034 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.996 13.317 -3.484 1.00 0.00 H new ATOM 110 N GLN A 4 -1.135 10.431 0.354 1.00 0.00 N ATOM 111 CA GLN A 4 -1.878 9.793 1.433 1.00 0.00 C ATOM 112 C GLN A 4 -2.345 10.832 2.448 1.00 0.00 C ATOM 113 O GLN A 4 -3.507 10.785 2.832 1.00 0.00 O ATOM 114 CB GLN A 4 -1.025 8.672 2.057 1.00 0.00 C ATOM 115 CG GLN A 4 -1.593 8.082 3.365 1.00 0.00 C ATOM 116 CD GLN A 4 -1.321 8.962 4.593 1.00 0.00 C ATOM 117 OE1 GLN A 4 -0.345 9.714 4.621 1.00 0.00 O ATOM 118 NE2 GLN A 4 -2.199 8.944 5.577 1.00 0.00 N ATOM 0 H GLN A 4 -0.206 10.031 0.221 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.781 9.327 1.040 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.917 7.868 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.026 9.061 2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.669 7.943 3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.159 7.096 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.000 8.314 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.077 9.560 6.381 1.00 0.00 H new ATOM 127 N TYR A 5 -1.519 11.828 2.789 1.00 0.00 N ATOM 128 CA TYR A 5 -1.900 12.861 3.748 1.00 0.00 C ATOM 129 C TYR A 5 -3.198 13.586 3.354 1.00 0.00 C ATOM 130 O TYR A 5 -3.862 14.156 4.215 1.00 0.00 O ATOM 131 CB TYR A 5 -0.745 13.845 3.988 1.00 0.00 C ATOM 132 CG TYR A 5 -0.421 14.803 2.850 1.00 0.00 C ATOM 133 CD1 TYR A 5 -1.280 15.887 2.581 1.00 0.00 C ATOM 134 CD2 TYR A 5 0.764 14.660 2.096 1.00 0.00 C ATOM 135 CE1 TYR A 5 -1.007 16.771 1.527 1.00 0.00 C ATOM 136 CE2 TYR A 5 1.071 15.578 1.069 1.00 0.00 C ATOM 137 CZ TYR A 5 0.168 16.623 0.761 1.00 0.00 C ATOM 138 OH TYR A 5 0.397 17.492 -0.261 1.00 0.00 O ATOM 0 H TYR A 5 -0.578 11.937 2.410 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.111 12.357 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.978 14.435 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.152 13.269 4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.157 16.039 3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.439 13.844 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.699 17.568 1.301 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.995 15.483 0.518 1.00 0.00 H new ATOM 0 HH TYR A 5 1.245 17.267 -0.698 1.00 0.00 H new ATOM 148 N LYS A 6 -3.519 13.647 2.054 1.00 0.00 N ATOM 149 CA LYS A 6 -4.713 14.284 1.505 1.00 0.00 C ATOM 150 C LYS A 6 -5.820 13.236 1.326 1.00 0.00 C ATOM 151 O LYS A 6 -6.994 13.576 1.487 1.00 0.00 O ATOM 152 CB LYS A 6 -4.311 14.999 0.203 1.00 0.00 C ATOM 153 CG LYS A 6 -5.324 16.036 -0.307 1.00 0.00 C ATOM 154 CD LYS A 6 -6.363 15.456 -1.275 1.00 0.00 C ATOM 155 CE LYS A 6 -7.249 16.519 -1.947 1.00 0.00 C ATOM 156 NZ LYS A 6 -8.069 17.308 -1.002 1.00 0.00 N ATOM 0 H LYS A 6 -2.927 13.236 1.332 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.124 15.036 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.353 15.495 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.159 14.249 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.841 16.477 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.786 16.842 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.847 14.886 -2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.999 14.756 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.614 17.199 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.909 16.027 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.637 18.001 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.701 16.672 -0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.446 17.807 -0.335 1.00 0.00 H new ATOM 170 N GLU A 7 -5.461 11.988 1.004 1.00 0.00 N ATOM 171 CA GLU A 7 -6.388 10.864 0.825 1.00 0.00 C ATOM 172 C GLU A 7 -7.011 10.474 2.176 1.00 0.00 C ATOM 173 O GLU A 7 -8.083 9.875 2.190 1.00 0.00 O ATOM 174 CB GLU A 7 -5.666 9.604 0.296 1.00 0.00 C ATOM 175 CG GLU A 7 -4.877 9.725 -1.017 1.00 0.00 C ATOM 176 CD GLU A 7 -5.713 9.533 -2.277 1.00 0.00 C ATOM 177 OE1 GLU A 7 -5.990 8.366 -2.644 1.00 0.00 O ATOM 178 OE2 GLU A 7 -5.992 10.563 -2.938 1.00 0.00 O ATOM 0 H GLU A 7 -4.487 11.724 0.856 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.142 11.193 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.978 9.264 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.413 8.820 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.407 10.708 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.074 8.988 -1.013 1.00 0.00 H new ATOM 185 N ASP A 8 -6.380 10.840 3.298 1.00 0.00 N ATOM 186 CA ASP A 8 -6.812 10.542 4.666 1.00 0.00 C ATOM 187 C ASP A 8 -8.044 11.329 5.115 1.00 0.00 C ATOM 188 O ASP A 8 -8.900 10.802 5.824 1.00 0.00 O ATOM 189 CB ASP A 8 -5.680 10.855 5.649 1.00 0.00 C ATOM 190 CG ASP A 8 -6.062 10.343 7.035 1.00 0.00 C ATOM 191 OD1 ASP A 8 -6.218 9.112 7.166 1.00 0.00 O ATOM 192 OD2 ASP A 8 -6.192 11.153 7.982 1.00 0.00 O ATOM 0 H ASP A 8 -5.513 11.377 3.274 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.074 9.484 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.754 10.385 5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.498 11.929 5.683 1.00 0.00 H new ATOM 197 N HIS A 9 -8.170 12.579 4.675 1.00 0.00 N ATOM 198 CA HIS A 9 -9.283 13.459 5.022 1.00 0.00 C ATOM 199 C HIS A 9 -10.682 12.912 4.637 1.00 0.00 C ATOM 200 O HIS A 9 -11.558 12.865 5.502 1.00 0.00 O ATOM 201 CB HIS A 9 -9.003 14.868 4.457 1.00 0.00 C ATOM 202 CG HIS A 9 -10.246 15.642 4.105 1.00 0.00 C ATOM 203 ND1 HIS A 9 -10.696 15.891 2.827 1.00 0.00 N ATOM 204 CD2 HIS A 9 -11.229 16.022 4.978 1.00 0.00 C ATOM 205 CE1 HIS A 9 -11.943 16.371 2.921 1.00 0.00 C ATOM 206 NE2 HIS A 9 -12.299 16.488 4.211 1.00 0.00 N ATOM 0 H HIS A 9 -7.488 13.017 4.055 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.336 13.513 6.109 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.429 15.435 5.190 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.380 14.775 3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.186 15.971 6.056 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -12.572 16.627 2.081 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.185 16.850 4.564 1.00 0.00 H new ATOM 214 N PRO A 10 -10.971 12.529 3.379 1.00 0.00 N ATOM 215 CA PRO A 10 -12.278 12.034 2.953 1.00 0.00 C ATOM 216 C PRO A 10 -12.496 10.571 3.361 1.00 0.00 C ATOM 217 O PRO A 10 -12.612 9.689 2.501 1.00 0.00 O ATOM 218 CB PRO A 10 -12.295 12.264 1.440 1.00 0.00 C ATOM 219 CG PRO A 10 -10.845 11.986 1.063 1.00 0.00 C ATOM 220 CD PRO A 10 -10.066 12.535 2.251 1.00 0.00 C ATOM 0 HA PRO A 10 -13.107 12.553 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.985 11.590 0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.596 13.280 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.663 10.921 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.568 12.485 0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.189 11.922 2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.709 13.544 2.047 1.00 0.00 H new ATOM 228 N PHE A 11 -12.664 10.350 4.670 1.00 0.00 N ATOM 229 CA PHE A 11 -12.873 9.044 5.289 1.00 0.00 C ATOM 230 C PHE A 11 -13.990 8.282 4.583 1.00 0.00 C ATOM 231 O PHE A 11 -13.866 7.089 4.344 1.00 0.00 O ATOM 232 CB PHE A 11 -13.154 9.241 6.783 1.00 0.00 C ATOM 233 CG PHE A 11 -13.229 7.965 7.603 1.00 0.00 C ATOM 234 CD1 PHE A 11 -12.127 7.087 7.648 1.00 0.00 C ATOM 235 CD2 PHE A 11 -14.371 7.684 8.380 1.00 0.00 C ATOM 236 CE1 PHE A 11 -12.178 5.930 8.444 1.00 0.00 C ATOM 237 CE2 PHE A 11 -14.414 6.530 9.182 1.00 0.00 C ATOM 238 CZ PHE A 11 -13.323 5.642 9.201 1.00 0.00 C ATOM 0 H PHE A 11 -12.657 11.109 5.351 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.975 8.435 5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.374 9.877 7.202 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.096 9.779 6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.241 7.304 7.069 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.215 8.357 8.359 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.332 5.260 8.473 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.286 6.325 9.785 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.367 4.742 9.796 1.00 0.00 H new ATOM 248 N GLU A 12 -15.058 8.979 4.192 1.00 0.00 N ATOM 249 CA GLU A 12 -16.194 8.408 3.485 1.00 0.00 C ATOM 250 C GLU A 12 -15.740 7.673 2.205 1.00 0.00 C ATOM 251 O GLU A 12 -16.129 6.527 1.986 1.00 0.00 O ATOM 252 CB GLU A 12 -17.221 9.529 3.217 1.00 0.00 C ATOM 253 CG GLU A 12 -16.694 10.663 2.318 1.00 0.00 C ATOM 254 CD GLU A 12 -17.372 12.020 2.518 1.00 0.00 C ATOM 255 OE1 GLU A 12 -17.185 12.661 3.582 1.00 0.00 O ATOM 256 OE2 GLU A 12 -17.898 12.577 1.524 1.00 0.00 O ATOM 0 H GLU A 12 -15.155 9.980 4.365 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.679 7.647 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.106 9.093 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -17.537 9.953 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.625 10.779 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.813 10.365 1.276 1.00 0.00 H new ATOM 263 N TYR A 13 -14.934 8.308 1.347 1.00 0.00 N ATOM 264 CA TYR A 13 -14.452 7.714 0.100 1.00 0.00 C ATOM 265 C TYR A 13 -13.419 6.631 0.363 1.00 0.00 C ATOM 266 O TYR A 13 -13.458 5.585 -0.283 1.00 0.00 O ATOM 267 CB TYR A 13 -13.854 8.782 -0.823 1.00 0.00 C ATOM 268 CG TYR A 13 -14.910 9.578 -1.554 1.00 0.00 C ATOM 269 CD1 TYR A 13 -15.422 9.101 -2.774 1.00 0.00 C ATOM 270 CD2 TYR A 13 -15.413 10.764 -0.997 1.00 0.00 C ATOM 271 CE1 TYR A 13 -16.447 9.801 -3.429 1.00 0.00 C ATOM 272 CE2 TYR A 13 -16.436 11.470 -1.647 1.00 0.00 C ATOM 273 CZ TYR A 13 -16.964 10.985 -2.861 1.00 0.00 C ATOM 274 OH TYR A 13 -17.966 11.655 -3.488 1.00 0.00 O ATOM 0 H TYR A 13 -14.596 9.258 1.502 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.313 7.261 -0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.236 9.460 -0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.198 8.303 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.026 8.195 -3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.011 11.134 -0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.839 9.434 -4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.819 12.384 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.207 12.448 -2.965 1.00 0.00 H new ATOM 284 N ARG A 14 -12.482 6.877 1.280 1.00 0.00 N ATOM 285 CA ARG A 14 -11.436 5.919 1.634 1.00 0.00 C ATOM 286 C ARG A 14 -12.060 4.633 2.156 1.00 0.00 C ATOM 287 O ARG A 14 -11.657 3.547 1.744 1.00 0.00 O ATOM 288 CB ARG A 14 -10.582 6.609 2.700 1.00 0.00 C ATOM 289 CG ARG A 14 -9.624 5.745 3.517 1.00 0.00 C ATOM 290 CD ARG A 14 -8.522 5.126 2.664 1.00 0.00 C ATOM 291 NE ARG A 14 -7.451 4.656 3.546 1.00 0.00 N ATOM 292 CZ ARG A 14 -6.162 4.986 3.473 1.00 0.00 C ATOM 293 NH1 ARG A 14 -5.657 5.484 2.345 1.00 0.00 N ATOM 294 NH2 ARG A 14 -5.393 4.810 4.534 1.00 0.00 N ATOM 0 H ARG A 14 -12.428 7.752 1.801 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.825 5.638 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -9.996 7.385 2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.255 7.111 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.173 6.352 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.186 4.952 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.919 4.297 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.134 5.860 1.957 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.719 4.012 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.258 5.615 1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.670 5.735 2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.788 4.427 5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.404 5.058 4.494 1.00 0.00 H new ATOM 308 N LYS A 15 -13.092 4.760 2.986 1.00 0.00 N ATOM 309 CA LYS A 15 -13.806 3.638 3.555 1.00 0.00 C ATOM 310 C LYS A 15 -14.502 2.900 2.433 1.00 0.00 C ATOM 311 O LYS A 15 -14.381 1.687 2.374 1.00 0.00 O ATOM 312 CB LYS A 15 -14.786 4.149 4.612 1.00 0.00 C ATOM 313 CG LYS A 15 -15.625 3.031 5.248 1.00 0.00 C ATOM 314 CD LYS A 15 -16.712 3.624 6.143 1.00 0.00 C ATOM 315 CE LYS A 15 -16.128 4.346 7.362 1.00 0.00 C ATOM 316 NZ LYS A 15 -17.174 5.140 8.024 1.00 0.00 N ATOM 0 H LYS A 15 -13.456 5.665 3.283 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.128 2.944 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.230 4.667 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.453 4.881 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.080 2.421 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.982 2.373 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.316 4.323 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.378 2.829 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.714 3.620 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.308 4.995 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.735 5.924 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.824 5.523 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.703 4.535 8.684 1.00 0.00 H new ATOM 330 N LYS A 16 -15.243 3.584 1.555 1.00 0.00 N ATOM 331 CA LYS A 16 -15.933 2.914 0.450 1.00 0.00 C ATOM 332 C LYS A 16 -14.935 2.153 -0.416 1.00 0.00 C ATOM 333 O LYS A 16 -15.210 1.016 -0.786 1.00 0.00 O ATOM 334 CB LYS A 16 -16.713 3.933 -0.398 1.00 0.00 C ATOM 335 CG LYS A 16 -17.935 4.490 0.349 1.00 0.00 C ATOM 336 CD LYS A 16 -18.387 5.850 -0.209 1.00 0.00 C ATOM 337 CE LYS A 16 -19.010 6.714 0.891 1.00 0.00 C ATOM 338 NZ LYS A 16 -20.295 6.209 1.404 1.00 0.00 N ATOM 0 H LYS A 16 -15.379 4.594 1.588 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.643 2.201 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.053 4.755 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -17.039 3.460 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.758 3.778 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.695 4.595 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.534 6.370 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.111 5.696 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.306 6.790 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.157 7.723 0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.649 6.849 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.985 6.162 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.160 5.259 1.804 1.00 0.00 H new ATOM 352 N GLU A 17 -13.779 2.746 -0.710 1.00 0.00 N ATOM 353 CA GLU A 17 -12.749 2.142 -1.540 1.00 0.00 C ATOM 354 C GLU A 17 -12.183 0.856 -0.895 1.00 0.00 C ATOM 355 O GLU A 17 -12.219 -0.229 -1.496 1.00 0.00 O ATOM 356 CB GLU A 17 -11.683 3.253 -1.718 1.00 0.00 C ATOM 357 CG GLU A 17 -10.657 2.963 -2.807 1.00 0.00 C ATOM 358 CD GLU A 17 -9.462 3.940 -2.882 1.00 0.00 C ATOM 359 OE1 GLU A 17 -9.039 4.527 -1.861 1.00 0.00 O ATOM 360 OE2 GLU A 17 -8.858 4.057 -3.977 1.00 0.00 O ATOM 0 H GLU A 17 -13.532 3.675 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 17 -13.131 1.810 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.187 4.191 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.162 3.396 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.269 1.956 -2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.167 2.967 -3.771 1.00 0.00 H new ATOM 367 N GLY A 18 -11.768 0.941 0.372 1.00 0.00 N ATOM 368 CA GLY A 18 -11.205 -0.181 1.112 1.00 0.00 C ATOM 369 C GLY A 18 -12.250 -1.252 1.352 1.00 0.00 C ATOM 370 O GLY A 18 -12.012 -2.430 1.085 1.00 0.00 O ATOM 0 H GLY A 18 -11.816 1.803 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.367 -0.603 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.812 0.169 2.066 1.00 0.00 H new ATOM 374 N GLU A 19 -13.440 -0.858 1.795 1.00 0.00 N ATOM 375 CA GLU A 19 -14.552 -1.749 2.064 1.00 0.00 C ATOM 376 C GLU A 19 -14.933 -2.496 0.797 1.00 0.00 C ATOM 377 O GLU A 19 -15.175 -3.704 0.870 1.00 0.00 O ATOM 378 CB GLU A 19 -15.744 -0.943 2.595 1.00 0.00 C ATOM 379 CG GLU A 19 -16.995 -1.791 2.814 1.00 0.00 C ATOM 380 CD GLU A 19 -18.073 -0.949 3.496 1.00 0.00 C ATOM 381 OE1 GLU A 19 -18.032 -0.849 4.744 1.00 0.00 O ATOM 382 OE2 GLU A 19 -18.987 -0.469 2.783 1.00 0.00 O ATOM 0 H GLU A 19 -13.659 0.121 1.981 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.259 -2.477 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.464 -0.470 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.974 -0.142 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.363 -2.167 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.755 -2.659 3.428 1.00 0.00 H new ATOM 389 N LYS A 20 -14.913 -1.836 -0.369 1.00 0.00 N ATOM 390 CA LYS A 20 -15.293 -2.529 -1.586 1.00 0.00 C ATOM 391 C LYS A 20 -14.251 -3.597 -1.854 1.00 0.00 C ATOM 392 O LYS A 20 -14.652 -4.731 -2.100 1.00 0.00 O ATOM 393 CB LYS A 20 -15.410 -1.574 -2.791 1.00 0.00 C ATOM 394 CG LYS A 20 -16.227 -2.172 -3.951 1.00 0.00 C ATOM 395 CD LYS A 20 -17.744 -2.234 -3.678 1.00 0.00 C ATOM 396 CE LYS A 20 -18.224 -3.635 -3.286 1.00 0.00 C ATOM 397 NZ LYS A 20 -19.675 -3.655 -3.011 1.00 0.00 N ATOM 0 H LYS A 20 -14.647 -0.858 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.280 -2.972 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.876 -0.643 -2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.411 -1.323 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.053 -1.579 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.863 -3.178 -4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.993 -1.534 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.282 -1.907 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.995 -4.336 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.681 -3.973 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.965 -4.619 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.889 -3.004 -2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.194 -3.357 -3.862 1.00 0.00 H new ATOM 411 N ILE A 21 -12.949 -3.294 -1.757 1.00 0.00 N ATOM 412 CA ILE A 21 -11.963 -4.346 -2.017 1.00 0.00 C ATOM 413 C ILE A 21 -12.010 -5.452 -0.950 1.00 0.00 C ATOM 414 O ILE A 21 -11.886 -6.620 -1.314 1.00 0.00 O ATOM 415 CB ILE A 21 -10.549 -3.717 -2.048 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.363 -2.687 -3.183 1.00 0.00 C ATOM 417 CG2 ILE A 21 -9.422 -4.764 -2.124 1.00 0.00 C ATOM 418 CD1 ILE A 21 -10.517 -3.220 -4.613 1.00 0.00 C ATOM 0 H ILE A 21 -12.570 -2.379 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.200 -4.803 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.473 -3.194 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.084 -1.883 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.371 -2.246 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.456 -4.259 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.473 -5.417 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.538 -5.358 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.365 -2.407 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.778 -4.001 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.518 -3.632 -4.742 1.00 0.00 H new ATOM 430 N ARG A 22 -12.367 -5.150 0.303 1.00 0.00 N ATOM 431 CA ARG A 22 -12.400 -6.146 1.376 1.00 0.00 C ATOM 432 C ARG A 22 -13.547 -7.112 1.206 1.00 0.00 C ATOM 433 O ARG A 22 -13.388 -8.320 1.345 1.00 0.00 O ATOM 434 CB ARG A 22 -12.491 -5.451 2.747 1.00 0.00 C ATOM 435 CG ARG A 22 -11.818 -6.245 3.874 1.00 0.00 C ATOM 436 CD ARG A 22 -12.690 -7.356 4.470 1.00 0.00 C ATOM 437 NE ARG A 22 -12.371 -7.515 5.894 1.00 0.00 N ATOM 438 CZ ARG A 22 -12.907 -8.353 6.779 1.00 0.00 C ATOM 439 NH1 ARG A 22 -13.858 -9.205 6.408 1.00 0.00 N ATOM 440 NH2 ARG A 22 -12.511 -8.309 8.041 1.00 0.00 N ATOM 0 H ARG A 22 -12.640 -4.213 0.599 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.473 -6.718 1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.029 -4.466 2.679 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.540 -5.294 2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.898 -6.687 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.534 -5.556 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.745 -7.111 4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.517 -8.293 3.940 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.640 -6.901 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.181 -9.219 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.265 -9.844 7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.800 -7.637 8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.917 -8.947 8.725 1.00 0.00 H new ATOM 454 N LYS A 23 -14.741 -6.577 0.969 1.00 0.00 N ATOM 455 CA LYS A 23 -15.921 -7.406 0.798 1.00 0.00 C ATOM 456 C LYS A 23 -15.831 -8.162 -0.520 1.00 0.00 C ATOM 457 O LYS A 23 -16.284 -9.304 -0.574 1.00 0.00 O ATOM 458 CB LYS A 23 -17.187 -6.540 0.884 1.00 0.00 C ATOM 459 CG LYS A 23 -17.327 -5.772 2.212 1.00 0.00 C ATOM 460 CD LYS A 23 -17.514 -6.677 3.439 1.00 0.00 C ATOM 461 CE LYS A 23 -17.514 -5.880 4.748 1.00 0.00 C ATOM 462 NZ LYS A 23 -18.531 -4.810 4.745 1.00 0.00 N ATOM 0 H LYS A 23 -14.913 -5.575 0.892 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.976 -8.144 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.184 -5.826 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.061 -7.177 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.440 -5.156 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.177 -5.094 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.453 -7.222 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.716 -7.419 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.701 -6.555 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.528 -5.443 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.591 -4.385 5.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.264 -4.080 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.455 -5.210 4.486 1.00 0.00 H new ATOM 476 N LYS A 24 -15.247 -7.566 -1.563 1.00 0.00 N ATOM 477 CA LYS A 24 -15.128 -8.221 -2.856 1.00 0.00 C ATOM 478 C LYS A 24 -14.113 -9.358 -2.833 1.00 0.00 C ATOM 479 O LYS A 24 -14.445 -10.453 -3.274 1.00 0.00 O ATOM 480 CB LYS A 24 -14.673 -7.159 -3.872 1.00 0.00 C ATOM 481 CG LYS A 24 -14.447 -7.699 -5.281 1.00 0.00 C ATOM 482 CD LYS A 24 -15.765 -8.040 -5.961 1.00 0.00 C ATOM 483 CE LYS A 24 -15.499 -8.505 -7.388 1.00 0.00 C ATOM 484 NZ LYS A 24 -16.491 -9.512 -7.790 1.00 0.00 N ATOM 0 H LYS A 24 -14.850 -6.627 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.092 -8.654 -3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.422 -6.368 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.748 -6.704 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.910 -6.959 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.818 -8.588 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.282 -8.821 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.419 -7.168 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.538 -7.654 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.495 -8.924 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.298 -9.820 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.434 -10.330 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.444 -9.099 -7.740 1.00 0.00 H new ATOM 498 N TYR A 25 -12.928 -9.135 -2.266 1.00 0.00 N ATOM 499 CA TYR A 25 -11.861 -10.119 -2.205 1.00 0.00 C ATOM 500 C TYR A 25 -11.316 -10.144 -0.775 1.00 0.00 C ATOM 501 O TYR A 25 -10.347 -9.456 -0.470 1.00 0.00 O ATOM 502 CB TYR A 25 -10.793 -9.770 -3.252 1.00 0.00 C ATOM 503 CG TYR A 25 -11.270 -9.725 -4.693 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.856 -10.870 -5.262 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.092 -8.569 -5.482 1.00 0.00 C ATOM 506 CE1 TYR A 25 -12.273 -10.866 -6.600 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.504 -8.566 -6.828 1.00 0.00 C ATOM 508 CZ TYR A 25 -12.099 -9.714 -7.391 1.00 0.00 C ATOM 509 OH TYR A 25 -12.526 -9.711 -8.681 1.00 0.00 O ATOM 0 H TYR A 25 -12.683 -8.246 -1.829 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.219 -11.121 -2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.367 -8.799 -2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.987 -10.500 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.986 -11.759 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.640 -7.687 -5.053 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.729 -11.748 -7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.364 -7.681 -7.432 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.332 -8.841 -9.088 1.00 0.00 H new ATOM 519 N PRO A 26 -11.921 -10.928 0.129 1.00 0.00 N ATOM 520 CA PRO A 26 -11.506 -11.014 1.527 1.00 0.00 C ATOM 521 C PRO A 26 -10.201 -11.799 1.749 1.00 0.00 C ATOM 522 O PRO A 26 -9.810 -12.026 2.895 1.00 0.00 O ATOM 523 CB PRO A 26 -12.709 -11.642 2.230 1.00 0.00 C ATOM 524 CG PRO A 26 -13.287 -12.573 1.169 1.00 0.00 C ATOM 525 CD PRO A 26 -13.065 -11.790 -0.119 1.00 0.00 C ATOM 0 HA PRO A 26 -11.252 -10.033 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.412 -12.188 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.432 -10.888 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.775 -13.535 1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.344 -12.778 1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.873 -12.462 -0.956 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -13.947 -11.204 -0.376 1.00 0.00 H new ATOM 533 N ASP A 27 -9.542 -12.276 0.694 1.00 0.00 N ATOM 534 CA ASP A 27 -8.280 -13.019 0.730 1.00 0.00 C ATOM 535 C ASP A 27 -7.092 -12.096 0.431 1.00 0.00 C ATOM 536 O ASP A 27 -5.936 -12.532 0.437 1.00 0.00 O ATOM 537 CB ASP A 27 -8.326 -14.174 -0.288 1.00 0.00 C ATOM 538 CG ASP A 27 -8.345 -13.745 -1.761 1.00 0.00 C ATOM 539 OD1 ASP A 27 -9.022 -12.751 -2.113 1.00 0.00 O ATOM 540 OD2 ASP A 27 -7.814 -14.507 -2.601 1.00 0.00 O ATOM 0 H ASP A 27 -9.890 -12.149 -0.257 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.147 -13.428 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.461 -14.816 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.212 -14.777 -0.090 1.00 0.00 H new ATOM 545 N ARG A 28 -7.353 -10.811 0.181 1.00 0.00 N ATOM 546 CA ARG A 28 -6.339 -9.820 -0.144 1.00 0.00 C ATOM 547 C ARG A 28 -6.707 -8.456 0.425 1.00 0.00 C ATOM 548 O ARG A 28 -7.867 -8.220 0.747 1.00 0.00 O ATOM 549 CB ARG A 28 -6.125 -9.859 -1.664 1.00 0.00 C ATOM 550 CG ARG A 28 -7.377 -9.535 -2.502 1.00 0.00 C ATOM 551 CD ARG A 28 -7.311 -10.195 -3.895 1.00 0.00 C ATOM 552 NE ARG A 28 -7.782 -9.306 -4.975 1.00 0.00 N ATOM 553 CZ ARG A 28 -8.215 -9.696 -6.183 1.00 0.00 C ATOM 554 NH1 ARG A 28 -8.554 -10.958 -6.430 1.00 0.00 N ATOM 555 NH2 ARG A 28 -8.304 -8.808 -7.166 1.00 0.00 N ATOM 0 H ARG A 28 -8.298 -10.428 0.201 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.382 -10.046 0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.338 -9.151 -1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.766 -10.850 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.267 -9.880 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.472 -8.455 -2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.284 -10.495 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.914 -11.103 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.778 -8.304 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.488 -11.658 -5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.880 -11.226 -7.359 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.044 -7.836 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.633 -9.098 -8.087 1.00 0.00 H new ATOM 569 N VAL A 29 -5.726 -7.563 0.559 1.00 0.00 N ATOM 570 CA VAL A 29 -5.921 -6.231 1.122 1.00 0.00 C ATOM 571 C VAL A 29 -5.233 -5.155 0.261 1.00 0.00 C ATOM 572 O VAL A 29 -4.172 -5.409 -0.321 1.00 0.00 O ATOM 573 CB VAL A 29 -5.443 -6.232 2.597 1.00 0.00 C ATOM 574 CG1 VAL A 29 -6.393 -7.047 3.483 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.013 -6.770 2.779 1.00 0.00 C ATOM 0 H VAL A 29 -4.764 -7.748 0.276 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.980 -5.975 1.114 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.445 -5.185 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.034 -7.031 4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.392 -6.613 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.429 -8.077 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.745 -6.741 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.962 -7.798 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.317 -6.152 2.211 1.00 0.00 H new ATOM 585 N PRO A 30 -5.825 -3.952 0.135 1.00 0.00 N ATOM 586 CA PRO A 30 -5.275 -2.850 -0.633 1.00 0.00 C ATOM 587 C PRO A 30 -4.225 -2.104 0.206 1.00 0.00 C ATOM 588 O PRO A 30 -4.411 -1.844 1.406 1.00 0.00 O ATOM 589 CB PRO A 30 -6.480 -1.979 -0.974 1.00 0.00 C ATOM 590 CG PRO A 30 -7.359 -2.111 0.266 1.00 0.00 C ATOM 591 CD PRO A 30 -7.077 -3.538 0.742 1.00 0.00 C ATOM 0 HA PRO A 30 -4.758 -3.166 -1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.191 -0.944 -1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.991 -2.330 -1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.098 -1.374 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.413 -1.966 0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.008 -3.575 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.886 -4.208 0.451 1.00 0.00 H new ATOM 599 N VAL A 31 -3.130 -1.727 -0.453 1.00 0.00 N ATOM 600 CA VAL A 31 -2.014 -1.038 0.163 1.00 0.00 C ATOM 601 C VAL A 31 -1.667 0.244 -0.596 1.00 0.00 C ATOM 602 O VAL A 31 -1.588 0.250 -1.825 1.00 0.00 O ATOM 603 CB VAL A 31 -0.812 -2.003 0.270 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.397 -1.355 0.960 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.158 -3.278 1.058 1.00 0.00 C ATOM 0 H VAL A 31 -2.998 -1.899 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.291 -0.728 1.171 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.563 -2.255 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.215 -2.073 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.716 -0.482 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.120 -1.049 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.282 -3.925 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.466 -3.009 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.971 -3.805 0.559 1.00 0.00 H new ATOM 615 N ILE A 32 -1.486 1.344 0.134 1.00 0.00 N ATOM 616 CA ILE A 32 -1.106 2.642 -0.408 1.00 0.00 C ATOM 617 C ILE A 32 0.398 2.697 -0.202 1.00 0.00 C ATOM 618 O ILE A 32 0.842 2.671 0.946 1.00 0.00 O ATOM 619 CB ILE A 32 -1.817 3.811 0.312 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.342 3.778 0.114 1.00 0.00 C ATOM 621 CG2 ILE A 32 -1.259 5.177 -0.136 1.00 0.00 C ATOM 622 CD1 ILE A 32 -3.809 3.913 -1.340 1.00 0.00 C ATOM 0 H ILE A 32 -1.604 1.354 1.147 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.395 2.748 -1.454 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.613 3.681 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.726 2.841 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.787 4.583 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.783 5.975 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.195 5.228 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.405 5.295 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.898 3.879 -1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.462 4.863 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.400 3.094 -1.931 1.00 0.00 H new ATOM 634 N VAL A 33 1.177 2.712 -1.281 1.00 0.00 N ATOM 635 CA VAL A 33 2.633 2.773 -1.198 1.00 0.00 C ATOM 636 C VAL A 33 2.996 4.191 -1.634 1.00 0.00 C ATOM 637 O VAL A 33 2.683 4.576 -2.760 1.00 0.00 O ATOM 638 CB VAL A 33 3.285 1.664 -2.049 1.00 0.00 C ATOM 639 CG1 VAL A 33 4.807 1.642 -1.848 1.00 0.00 C ATOM 640 CG2 VAL A 33 2.749 0.254 -1.738 1.00 0.00 C ATOM 0 H VAL A 33 0.817 2.682 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 33 3.012 2.585 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 33 3.028 1.910 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.243 0.852 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.227 2.603 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.033 1.456 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.252 -0.475 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.939 0.015 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.676 0.222 -1.929 1.00 0.00 H new ATOM 650 N GLU A 34 3.640 4.969 -0.764 1.00 0.00 N ATOM 651 CA GLU A 34 4.030 6.346 -1.026 1.00 0.00 C ATOM 652 C GLU A 34 5.512 6.543 -0.710 1.00 0.00 C ATOM 653 O GLU A 34 6.051 5.916 0.202 1.00 0.00 O ATOM 654 CB GLU A 34 3.103 7.221 -0.171 1.00 0.00 C ATOM 655 CG GLU A 34 3.491 8.699 -0.097 1.00 0.00 C ATOM 656 CD GLU A 34 2.292 9.543 0.329 1.00 0.00 C ATOM 657 OE1 GLU A 34 1.383 9.701 -0.519 1.00 0.00 O ATOM 658 OE2 GLU A 34 2.285 10.103 1.452 1.00 0.00 O ATOM 0 H GLU A 34 3.910 4.646 0.165 1.00 0.00 H new ATOM 0 HA GLU A 34 3.921 6.621 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.091 7.147 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.079 6.817 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.308 8.832 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.854 9.035 -1.068 1.00 0.00 H new ATOM 665 N LYS A 35 6.178 7.430 -1.450 1.00 0.00 N ATOM 666 CA LYS A 35 7.594 7.709 -1.251 1.00 0.00 C ATOM 667 C LYS A 35 7.717 8.763 -0.162 1.00 0.00 C ATOM 668 O LYS A 35 6.902 9.687 -0.085 1.00 0.00 O ATOM 669 CB LYS A 35 8.293 8.111 -2.565 1.00 0.00 C ATOM 670 CG LYS A 35 7.932 9.486 -3.163 1.00 0.00 C ATOM 671 CD LYS A 35 8.716 10.698 -2.621 1.00 0.00 C ATOM 672 CE LYS A 35 10.226 10.645 -2.870 1.00 0.00 C ATOM 673 NZ LYS A 35 10.573 10.772 -4.299 1.00 0.00 N ATOM 0 H LYS A 35 5.750 7.972 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 35 8.112 6.806 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.370 8.088 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.072 7.349 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.080 9.439 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.870 9.663 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.318 11.605 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.541 10.777 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.711 11.445 -2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.620 9.704 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.606 10.730 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.135 9.994 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.223 11.681 -4.662 1.00 0.00 H new ATOM 687 N ALA A 36 8.715 8.603 0.692 1.00 0.00 N ATOM 688 CA ALA A 36 8.986 9.518 1.785 1.00 0.00 C ATOM 689 C ALA A 36 9.944 10.600 1.268 1.00 0.00 C ATOM 690 O ALA A 36 10.592 10.414 0.227 1.00 0.00 O ATOM 691 CB ALA A 36 9.661 8.694 2.887 1.00 0.00 C ATOM 0 H ALA A 36 9.369 7.821 0.643 1.00 0.00 H new ATOM 0 HA ALA A 36 8.083 9.995 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.887 9.338 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.992 7.895 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.585 8.262 2.504 1.00 0.00 H new ATOM 697 N PRO A 37 10.009 11.750 1.954 1.00 0.00 N ATOM 698 CA PRO A 37 10.890 12.830 1.557 1.00 0.00 C ATOM 699 C PRO A 37 12.335 12.371 1.744 1.00 0.00 C ATOM 700 O PRO A 37 12.600 11.396 2.447 1.00 0.00 O ATOM 701 CB PRO A 37 10.497 14.029 2.420 1.00 0.00 C ATOM 702 CG PRO A 37 9.822 13.419 3.645 1.00 0.00 C ATOM 703 CD PRO A 37 9.298 12.070 3.181 1.00 0.00 C ATOM 0 HA PRO A 37 10.802 13.115 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.370 14.618 2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.821 14.697 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.528 13.305 4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.012 14.053 4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.469 11.306 3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.223 12.111 3.007 1.00 0.00 H new ATOM 711 N LYS A 38 13.278 13.079 1.118 1.00 0.00 N ATOM 712 CA LYS A 38 14.721 12.797 1.147 1.00 0.00 C ATOM 713 C LYS A 38 15.091 11.444 0.516 1.00 0.00 C ATOM 714 O LYS A 38 16.279 11.154 0.397 1.00 0.00 O ATOM 715 CB LYS A 38 15.293 12.921 2.570 1.00 0.00 C ATOM 716 CG LYS A 38 15.087 14.291 3.234 1.00 0.00 C ATOM 717 CD LYS A 38 16.136 15.315 2.774 1.00 0.00 C ATOM 718 CE LYS A 38 15.878 16.724 3.325 1.00 0.00 C ATOM 719 NZ LYS A 38 15.630 16.735 4.782 1.00 0.00 N ATOM 0 H LYS A 38 13.051 13.898 0.554 1.00 0.00 H new ATOM 0 HA LYS A 38 15.185 13.561 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.835 12.157 3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.361 12.707 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.090 14.662 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.138 14.181 4.317 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.124 14.982 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.146 15.353 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.736 17.358 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.020 17.158 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.631 17.716 5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.707 16.299 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.378 16.198 5.265 1.00 0.00 H new ATOM 733 N ALA A 39 14.139 10.628 0.058 1.00 0.00 N ATOM 734 CA ALA A 39 14.438 9.349 -0.566 1.00 0.00 C ATOM 735 C ALA A 39 15.150 9.567 -1.913 1.00 0.00 C ATOM 736 O ALA A 39 15.112 10.652 -2.499 1.00 0.00 O ATOM 737 CB ALA A 39 13.145 8.543 -0.734 1.00 0.00 C ATOM 0 H ALA A 39 13.143 10.840 0.112 1.00 0.00 H new ATOM 0 HA ALA A 39 15.113 8.779 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.372 7.585 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.693 8.372 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.449 9.098 -1.363 1.00 0.00 H new ATOM 743 N ARG A 40 15.795 8.519 -2.423 1.00 0.00 N ATOM 744 CA ARG A 40 16.531 8.487 -3.686 1.00 0.00 C ATOM 745 C ARG A 40 15.960 7.282 -4.432 1.00 0.00 C ATOM 746 O ARG A 40 16.623 6.263 -4.595 1.00 0.00 O ATOM 747 CB ARG A 40 18.041 8.434 -3.345 1.00 0.00 C ATOM 748 CG ARG A 40 19.047 8.663 -4.489 1.00 0.00 C ATOM 749 CD ARG A 40 19.144 7.468 -5.437 1.00 0.00 C ATOM 750 NE ARG A 40 20.377 7.455 -6.241 1.00 0.00 N ATOM 751 CZ ARG A 40 21.094 6.363 -6.548 1.00 0.00 C ATOM 752 NH1 ARG A 40 20.740 5.176 -6.059 1.00 0.00 N ATOM 753 NH2 ARG A 40 22.144 6.461 -7.358 1.00 0.00 N ATOM 0 H ARG A 40 15.819 7.621 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 40 16.425 9.357 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.236 9.179 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.251 7.459 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.753 9.547 -5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.031 8.867 -4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 40 19.089 6.548 -4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.283 7.474 -6.106 1.00 0.00 H new ATOM 0 HE ARG A 40 20.714 8.350 -6.594 1.00 0.00 H new ATOM 0 HH11 ARG A 40 19.924 5.097 -5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 40 21.284 4.346 -6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 40 22.405 7.367 -7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 40 22.688 5.630 -7.590 1.00 0.00 H new ATOM 767 N VAL A 41 14.681 7.349 -4.800 1.00 0.00 N ATOM 768 CA VAL A 41 13.974 6.270 -5.493 1.00 0.00 C ATOM 769 C VAL A 41 13.140 6.797 -6.671 1.00 0.00 C ATOM 770 O VAL A 41 12.705 7.952 -6.625 1.00 0.00 O ATOM 771 CB VAL A 41 13.100 5.517 -4.461 1.00 0.00 C ATOM 772 CG1 VAL A 41 13.953 4.793 -3.413 1.00 0.00 C ATOM 773 CG2 VAL A 41 12.097 6.425 -3.722 1.00 0.00 C ATOM 0 H VAL A 41 14.097 8.166 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 41 14.699 5.581 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 41 12.538 4.796 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.302 4.277 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.599 4.068 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.565 5.519 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.519 5.829 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.639 7.203 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.423 6.886 -4.444 1.00 0.00 H new ATOM 783 N PRO A 42 12.857 5.989 -7.708 1.00 0.00 N ATOM 784 CA PRO A 42 12.053 6.424 -8.844 1.00 0.00 C ATOM 785 C PRO A 42 10.581 6.594 -8.454 1.00 0.00 C ATOM 786 O PRO A 42 10.113 6.076 -7.429 1.00 0.00 O ATOM 787 CB PRO A 42 12.250 5.360 -9.930 1.00 0.00 C ATOM 788 CG PRO A 42 12.601 4.093 -9.151 1.00 0.00 C ATOM 789 CD PRO A 42 13.310 4.618 -7.898 1.00 0.00 C ATOM 0 HA PRO A 42 12.365 7.404 -9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.346 5.225 -10.524 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.047 5.637 -10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.709 3.521 -8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 42 13.248 3.434 -9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.067 4.006 -7.030 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.392 4.581 -8.021 1.00 0.00 H new ATOM 797 N ASP A 43 9.872 7.405 -9.236 1.00 0.00 N ATOM 798 CA ASP A 43 8.454 7.703 -9.070 1.00 0.00 C ATOM 799 C ASP A 43 7.632 6.754 -9.937 1.00 0.00 C ATOM 800 O ASP A 43 8.143 6.178 -10.899 1.00 0.00 O ATOM 801 CB ASP A 43 8.122 9.156 -9.450 1.00 0.00 C ATOM 802 CG ASP A 43 8.172 9.418 -10.959 1.00 0.00 C ATOM 803 OD1 ASP A 43 9.264 9.239 -11.546 1.00 0.00 O ATOM 804 OD2 ASP A 43 7.160 9.895 -11.520 1.00 0.00 O ATOM 0 H ASP A 43 10.286 7.890 -10.032 1.00 0.00 H new ATOM 0 HA ASP A 43 8.207 7.569 -8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.127 9.402 -9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.823 9.824 -8.950 1.00 0.00 H new ATOM 809 N LEU A 44 6.366 6.563 -9.571 1.00 0.00 N ATOM 810 CA LEU A 44 5.406 5.709 -10.265 1.00 0.00 C ATOM 811 C LEU A 44 4.100 6.494 -10.376 1.00 0.00 C ATOM 812 O LEU A 44 3.852 7.376 -9.556 1.00 0.00 O ATOM 813 CB LEU A 44 5.218 4.382 -9.510 1.00 0.00 C ATOM 814 CG LEU A 44 6.505 3.534 -9.412 1.00 0.00 C ATOM 815 CD1 LEU A 44 6.378 2.488 -8.306 1.00 0.00 C ATOM 816 CD2 LEU A 44 6.833 2.835 -10.737 1.00 0.00 C ATOM 0 H LEU A 44 5.966 7.017 -8.750 1.00 0.00 H new ATOM 0 HA LEU A 44 5.762 5.446 -11.261 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.857 4.595 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.445 3.797 -10.009 1.00 0.00 H new ATOM 0 HG LEU A 44 7.319 4.219 -9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.295 1.901 -8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.211 2.987 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.537 1.829 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.745 2.250 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.011 2.175 -11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.976 3.583 -11.517 1.00 0.00 H new ATOM 828 N ASP A 45 3.252 6.165 -11.347 1.00 0.00 N ATOM 829 CA ASP A 45 1.978 6.844 -11.587 1.00 0.00 C ATOM 830 C ASP A 45 0.988 6.647 -10.437 1.00 0.00 C ATOM 831 O ASP A 45 0.798 7.553 -9.622 1.00 0.00 O ATOM 832 CB ASP A 45 1.387 6.419 -12.941 1.00 0.00 C ATOM 833 CG ASP A 45 1.849 7.364 -14.038 1.00 0.00 C ATOM 834 OD1 ASP A 45 1.271 8.477 -14.146 1.00 0.00 O ATOM 835 OD2 ASP A 45 2.825 7.001 -14.737 1.00 0.00 O ATOM 0 H ASP A 45 3.433 5.405 -12.002 1.00 0.00 H new ATOM 0 HA ASP A 45 2.176 7.915 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.695 5.400 -13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.298 6.419 -12.886 1.00 0.00 H new ATOM 840 N LYS A 46 0.294 5.508 -10.380 1.00 0.00 N ATOM 841 CA LYS A 46 -0.666 5.235 -9.315 1.00 0.00 C ATOM 842 C LYS A 46 0.099 4.864 -8.054 1.00 0.00 C ATOM 843 O LYS A 46 1.245 4.407 -8.111 1.00 0.00 O ATOM 844 CB LYS A 46 -1.558 4.046 -9.706 1.00 0.00 C ATOM 845 CG LYS A 46 -2.674 4.367 -10.711 1.00 0.00 C ATOM 846 CD LYS A 46 -4.004 4.701 -10.018 1.00 0.00 C ATOM 847 CE LYS A 46 -5.087 4.835 -11.091 1.00 0.00 C ATOM 848 NZ LYS A 46 -6.374 5.328 -10.564 1.00 0.00 N ATOM 0 H LYS A 46 0.382 4.757 -11.065 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.283 6.118 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.927 3.262 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.011 3.640 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.369 5.209 -11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.817 3.515 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.269 3.918 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.914 5.628 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.737 5.514 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.243 3.865 -11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.063 5.396 -11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.729 4.669 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.238 6.267 -10.138 1.00 0.00 H new ATOM 862 N ARG A 47 -0.596 4.972 -6.921 1.00 0.00 N ATOM 863 CA ARG A 47 -0.076 4.640 -5.596 1.00 0.00 C ATOM 864 C ARG A 47 -0.933 3.590 -4.891 1.00 0.00 C ATOM 865 O ARG A 47 -0.669 3.280 -3.729 1.00 0.00 O ATOM 866 CB ARG A 47 0.144 5.912 -4.771 1.00 0.00 C ATOM 867 CG ARG A 47 -1.144 6.628 -4.330 1.00 0.00 C ATOM 868 CD ARG A 47 -0.849 8.067 -3.884 1.00 0.00 C ATOM 869 NE ARG A 47 -0.339 8.866 -5.016 1.00 0.00 N ATOM 870 CZ ARG A 47 -1.067 9.303 -6.047 1.00 0.00 C ATOM 871 NH1 ARG A 47 -2.377 9.471 -5.914 1.00 0.00 N ATOM 872 NH2 ARG A 47 -0.495 9.552 -7.218 1.00 0.00 N ATOM 0 H ARG A 47 -1.561 5.301 -6.900 1.00 0.00 H new ATOM 0 HA ARG A 47 0.901 4.172 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.723 5.656 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.747 6.607 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.859 6.638 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.608 6.078 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.756 8.524 -3.488 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.117 8.061 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 47 0.653 9.104 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.830 9.266 -5.023 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.931 9.805 -6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.508 9.410 -7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.058 9.885 -8.000 1.00 0.00 H new ATOM 886 N LYS A 48 -1.999 3.116 -5.547 1.00 0.00 N ATOM 887 CA LYS A 48 -2.904 2.108 -5.021 1.00 0.00 C ATOM 888 C LYS A 48 -2.397 0.753 -5.524 1.00 0.00 C ATOM 889 O LYS A 48 -2.319 0.508 -6.739 1.00 0.00 O ATOM 890 CB LYS A 48 -4.348 2.370 -5.500 1.00 0.00 C ATOM 891 CG LYS A 48 -5.206 3.375 -4.698 1.00 0.00 C ATOM 892 CD LYS A 48 -4.719 4.833 -4.735 1.00 0.00 C ATOM 893 CE LYS A 48 -5.789 5.906 -4.439 1.00 0.00 C ATOM 894 NZ LYS A 48 -6.606 5.707 -3.219 1.00 0.00 N ATOM 0 H LYS A 48 -2.255 3.436 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.924 2.131 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.300 2.720 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.875 1.416 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.227 3.341 -5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.242 3.048 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.910 4.945 -4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.296 5.030 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.291 6.872 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.462 5.962 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.572 5.431 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.182 4.957 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.638 6.592 -2.674 1.00 0.00 H new ATOM 908 N TYR A 49 -2.131 -0.147 -4.585 1.00 0.00 N ATOM 909 CA TYR A 49 -1.633 -1.490 -4.817 1.00 0.00 C ATOM 910 C TYR A 49 -2.509 -2.490 -4.085 1.00 0.00 C ATOM 911 O TYR A 49 -3.344 -2.110 -3.257 1.00 0.00 O ATOM 912 CB TYR A 49 -0.182 -1.598 -4.324 1.00 0.00 C ATOM 913 CG TYR A 49 0.749 -0.682 -5.077 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.969 0.636 -4.641 1.00 0.00 C ATOM 915 CD2 TYR A 49 1.320 -1.129 -6.275 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.743 1.514 -5.417 1.00 0.00 C ATOM 917 CE2 TYR A 49 2.070 -0.250 -7.066 1.00 0.00 C ATOM 918 CZ TYR A 49 2.268 1.083 -6.655 1.00 0.00 C ATOM 919 OH TYR A 49 2.980 1.940 -7.430 1.00 0.00 O ATOM 0 H TYR A 49 -2.265 0.054 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.660 -1.708 -5.885 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.143 -1.358 -3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.160 -2.627 -4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.542 0.974 -3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.182 -2.153 -6.589 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.936 2.517 -5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.499 -0.595 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 49 2.429 2.721 -7.646 1.00 0.00 H new ATOM 929 N LEU A 50 -2.353 -3.774 -4.388 1.00 0.00 N ATOM 930 CA LEU A 50 -3.111 -4.839 -3.746 1.00 0.00 C ATOM 931 C LEU A 50 -2.208 -6.058 -3.578 1.00 0.00 C ATOM 932 O LEU A 50 -1.487 -6.391 -4.518 1.00 0.00 O ATOM 933 CB LEU A 50 -4.364 -5.108 -4.586 1.00 0.00 C ATOM 934 CG LEU A 50 -5.301 -6.137 -3.937 1.00 0.00 C ATOM 935 CD1 LEU A 50 -6.761 -5.778 -4.234 1.00 0.00 C ATOM 936 CD2 LEU A 50 -5.021 -7.540 -4.475 1.00 0.00 C ATOM 0 H LEU A 50 -1.692 -4.106 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.446 -4.563 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.905 -4.173 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.066 -5.465 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.124 -6.122 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.418 -6.513 -3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.982 -4.789 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.923 -5.776 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.696 -8.253 -4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.177 -7.554 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.990 -7.815 -4.254 1.00 0.00 H new ATOM 948 N VAL A 51 -2.259 -6.721 -2.421 1.00 0.00 N ATOM 949 CA VAL A 51 -1.465 -7.910 -2.093 1.00 0.00 C ATOM 950 C VAL A 51 -2.328 -8.883 -1.271 1.00 0.00 C ATOM 951 O VAL A 51 -3.216 -8.421 -0.548 1.00 0.00 O ATOM 952 CB VAL A 51 -0.200 -7.519 -1.285 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.941 -7.004 -2.171 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.470 -6.445 -0.219 1.00 0.00 C ATOM 0 H VAL A 51 -2.875 -6.436 -1.659 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.146 -8.389 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 51 0.094 -8.451 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.798 -6.747 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.228 -7.779 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.609 -6.119 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.455 -6.217 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.845 -5.542 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.212 -6.814 0.490 1.00 0.00 H new ATOM 964 N PRO A 52 -2.101 -10.206 -1.356 1.00 0.00 N ATOM 965 CA PRO A 52 -2.863 -11.185 -0.589 1.00 0.00 C ATOM 966 C PRO A 52 -2.463 -11.090 0.886 1.00 0.00 C ATOM 967 O PRO A 52 -1.320 -10.740 1.190 1.00 0.00 O ATOM 968 CB PRO A 52 -2.506 -12.546 -1.187 1.00 0.00 C ATOM 969 CG PRO A 52 -1.100 -12.332 -1.728 1.00 0.00 C ATOM 970 CD PRO A 52 -1.096 -10.869 -2.172 1.00 0.00 C ATOM 0 HA PRO A 52 -3.939 -11.019 -0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.532 -13.335 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.201 -12.834 -1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.345 -12.520 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.886 -13.003 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.114 -10.419 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.333 -10.781 -3.232 1.00 0.00 H new ATOM 978 N SER A 53 -3.361 -11.416 1.822 1.00 0.00 N ATOM 979 CA SER A 53 -3.002 -11.350 3.244 1.00 0.00 C ATOM 980 C SER A 53 -1.976 -12.442 3.610 1.00 0.00 C ATOM 981 O SER A 53 -1.249 -12.324 4.594 1.00 0.00 O ATOM 982 CB SER A 53 -4.266 -11.399 4.128 1.00 0.00 C ATOM 983 OG SER A 53 -5.346 -12.121 3.551 1.00 0.00 O ATOM 0 H SER A 53 -4.316 -11.720 1.630 1.00 0.00 H new ATOM 0 HA SER A 53 -2.516 -10.393 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.010 -11.852 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.593 -10.380 4.334 1.00 0.00 H new ATOM 0 HG SER A 53 -6.110 -12.112 4.164 1.00 0.00 H new ATOM 989 N ASP A 54 -1.860 -13.472 2.775 1.00 0.00 N ATOM 990 CA ASP A 54 -0.971 -14.619 2.947 1.00 0.00 C ATOM 991 C ASP A 54 0.453 -14.364 2.441 1.00 0.00 C ATOM 992 O ASP A 54 1.316 -15.233 2.584 1.00 0.00 O ATOM 993 CB ASP A 54 -1.580 -15.834 2.224 1.00 0.00 C ATOM 994 CG ASP A 54 -3.051 -16.032 2.591 1.00 0.00 C ATOM 995 OD1 ASP A 54 -3.370 -16.366 3.754 1.00 0.00 O ATOM 996 OD2 ASP A 54 -3.925 -15.728 1.748 1.00 0.00 O ATOM 0 H ASP A 54 -2.410 -13.533 1.918 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.884 -14.808 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.489 -15.699 1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.017 -16.731 2.482 1.00 0.00 H new ATOM 1001 N LEU A 55 0.721 -13.220 1.798 1.00 0.00 N ATOM 1002 CA LEU A 55 2.054 -12.894 1.284 1.00 0.00 C ATOM 1003 C LEU A 55 2.989 -12.540 2.441 1.00 0.00 C ATOM 1004 O LEU A 55 2.555 -11.904 3.405 1.00 0.00 O ATOM 1005 CB LEU A 55 1.947 -11.782 0.216 1.00 0.00 C ATOM 1006 CG LEU A 55 3.201 -10.922 -0.039 1.00 0.00 C ATOM 1007 CD1 LEU A 55 3.243 -10.421 -1.489 1.00 0.00 C ATOM 1008 CD2 LEU A 55 3.185 -9.707 0.893 1.00 0.00 C ATOM 0 H LEU A 55 0.022 -12.499 1.621 1.00 0.00 H new ATOM 0 HA LEU A 55 2.491 -13.761 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.660 -12.247 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.134 -11.115 0.504 1.00 0.00 H new ATOM 0 HG LEU A 55 4.078 -11.541 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.138 -9.817 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.262 -11.273 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.359 -9.816 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.071 -9.099 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.292 -9.113 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.180 -10.044 1.930 1.00 0.00 H new ATOM 1020 N THR A 56 4.253 -12.960 2.377 1.00 0.00 N ATOM 1021 CA THR A 56 5.244 -12.652 3.404 1.00 0.00 C ATOM 1022 C THR A 56 5.697 -11.209 3.154 1.00 0.00 C ATOM 1023 O THR A 56 5.916 -10.824 1.999 1.00 0.00 O ATOM 1024 CB THR A 56 6.407 -13.660 3.349 1.00 0.00 C ATOM 1025 OG1 THR A 56 6.893 -13.804 2.029 1.00 0.00 O ATOM 1026 CG2 THR A 56 5.965 -15.029 3.873 1.00 0.00 C ATOM 0 H THR A 56 4.617 -13.524 1.609 1.00 0.00 H new ATOM 0 HA THR A 56 4.830 -12.736 4.409 1.00 0.00 H new ATOM 0 HB THR A 56 7.205 -13.271 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.632 -14.448 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.803 -15.725 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.632 -14.933 4.906 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.145 -15.405 3.261 1.00 0.00 H new ATOM 1034 N VAL A 57 5.841 -10.377 4.193 1.00 0.00 N ATOM 1035 CA VAL A 57 6.268 -8.992 3.976 1.00 0.00 C ATOM 1036 C VAL A 57 7.628 -8.986 3.261 1.00 0.00 C ATOM 1037 O VAL A 57 7.878 -8.134 2.410 1.00 0.00 O ATOM 1038 CB VAL A 57 6.270 -8.123 5.253 1.00 0.00 C ATOM 1039 CG1 VAL A 57 5.879 -6.688 4.872 1.00 0.00 C ATOM 1040 CG2 VAL A 57 5.329 -8.581 6.373 1.00 0.00 C ATOM 0 H VAL A 57 5.673 -10.630 5.167 1.00 0.00 H new ATOM 0 HA VAL A 57 5.523 -8.518 3.338 1.00 0.00 H new ATOM 0 HB VAL A 57 7.280 -8.208 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.876 -6.062 5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.598 -6.293 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.884 -6.688 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.412 -7.899 7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.302 -8.582 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.603 -9.587 6.689 1.00 0.00 H new ATOM 1050 N GLY A 58 8.478 -9.983 3.529 1.00 0.00 N ATOM 1051 CA GLY A 58 9.784 -10.128 2.918 1.00 0.00 C ATOM 1052 C GLY A 58 9.674 -10.219 1.396 1.00 0.00 C ATOM 1053 O GLY A 58 10.509 -9.635 0.698 1.00 0.00 O ATOM 0 H GLY A 58 8.262 -10.725 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.412 -9.280 3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.272 -11.023 3.304 1.00 0.00 H new ATOM 1057 N GLN A 59 8.683 -10.951 0.870 1.00 0.00 N ATOM 1058 CA GLN A 59 8.467 -11.074 -0.568 1.00 0.00 C ATOM 1059 C GLN A 59 8.010 -9.718 -1.094 1.00 0.00 C ATOM 1060 O GLN A 59 8.523 -9.285 -2.123 1.00 0.00 O ATOM 1061 CB GLN A 59 7.440 -12.173 -0.882 1.00 0.00 C ATOM 1062 CG GLN A 59 8.091 -13.567 -0.926 1.00 0.00 C ATOM 1063 CD GLN A 59 8.918 -13.821 -2.190 1.00 0.00 C ATOM 1064 OE1 GLN A 59 8.662 -13.262 -3.258 1.00 0.00 O ATOM 1065 NE2 GLN A 59 9.911 -14.690 -2.130 1.00 0.00 N ATOM 0 H GLN A 59 8.012 -11.472 1.434 1.00 0.00 H new ATOM 0 HA GLN A 59 9.394 -11.366 -1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.654 -12.162 -0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.965 -11.963 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.732 -13.686 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.311 -14.325 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.128 -15.156 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.461 -14.895 -2.965 1.00 0.00 H new ATOM 1074 N PHE A 60 7.105 -9.018 -0.398 1.00 0.00 N ATOM 1075 CA PHE A 60 6.636 -7.703 -0.835 1.00 0.00 C ATOM 1076 C PHE A 60 7.844 -6.767 -0.949 1.00 0.00 C ATOM 1077 O PHE A 60 8.014 -6.144 -1.999 1.00 0.00 O ATOM 1078 CB PHE A 60 5.533 -7.183 0.103 1.00 0.00 C ATOM 1079 CG PHE A 60 5.208 -5.703 0.082 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.786 -5.084 -1.110 1.00 0.00 C ATOM 1081 CD2 PHE A 60 5.244 -4.958 1.278 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.453 -3.719 -1.112 1.00 0.00 C ATOM 1083 CE2 PHE A 60 4.919 -3.591 1.275 1.00 0.00 C ATOM 1084 CZ PHE A 60 4.550 -2.968 0.071 1.00 0.00 C ATOM 0 H PHE A 60 6.684 -9.344 0.472 1.00 0.00 H new ATOM 0 HA PHE A 60 6.173 -7.762 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.617 -7.727 -0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.813 -7.447 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.718 -5.658 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.523 -5.441 2.203 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.122 -3.246 -2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.953 -3.023 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.340 -1.909 0.055 1.00 0.00 H new ATOM 1094 N TYR A 61 8.737 -6.762 0.051 1.00 0.00 N ATOM 1095 CA TYR A 61 9.934 -5.927 0.049 1.00 0.00 C ATOM 1096 C TYR A 61 10.800 -6.253 -1.170 1.00 0.00 C ATOM 1097 O TYR A 61 11.278 -5.345 -1.848 1.00 0.00 O ATOM 1098 CB TYR A 61 10.791 -6.163 1.308 1.00 0.00 C ATOM 1099 CG TYR A 61 10.447 -5.432 2.593 1.00 0.00 C ATOM 1100 CD1 TYR A 61 9.116 -5.176 2.977 1.00 0.00 C ATOM 1101 CD2 TYR A 61 11.501 -5.064 3.454 1.00 0.00 C ATOM 1102 CE1 TYR A 61 8.843 -4.583 4.222 1.00 0.00 C ATOM 1103 CE2 TYR A 61 11.235 -4.467 4.696 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.901 -4.242 5.095 1.00 0.00 C ATOM 1105 OH TYR A 61 9.653 -3.691 6.313 1.00 0.00 O ATOM 0 H TYR A 61 8.644 -7.342 0.885 1.00 0.00 H new ATOM 0 HA TYR A 61 9.600 -4.890 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.768 -7.231 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.821 -5.911 1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.304 -5.436 2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.523 -5.243 3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.821 -4.387 4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.050 -4.181 5.345 1.00 0.00 H new ATOM 0 HH TYR A 61 10.501 -3.524 6.775 1.00 0.00 H new ATOM 1115 N PHE A 62 11.029 -7.540 -1.455 1.00 0.00 N ATOM 1116 CA PHE A 62 11.845 -7.970 -2.588 1.00 0.00 C ATOM 1117 C PHE A 62 11.222 -7.558 -3.918 1.00 0.00 C ATOM 1118 O PHE A 62 11.945 -7.072 -4.794 1.00 0.00 O ATOM 1119 CB PHE A 62 12.079 -9.487 -2.546 1.00 0.00 C ATOM 1120 CG PHE A 62 13.386 -9.882 -1.887 1.00 0.00 C ATOM 1121 CD1 PHE A 62 13.621 -9.590 -0.533 1.00 0.00 C ATOM 1122 CD2 PHE A 62 14.383 -10.530 -2.636 1.00 0.00 C ATOM 1123 CE1 PHE A 62 14.818 -9.994 0.082 1.00 0.00 C ATOM 1124 CE2 PHE A 62 15.584 -10.929 -2.026 1.00 0.00 C ATOM 1125 CZ PHE A 62 15.789 -10.682 -0.660 1.00 0.00 C ATOM 0 H PHE A 62 10.652 -8.311 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 62 12.809 -7.469 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.255 -9.959 -2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.063 -9.877 -3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 62 12.878 -9.053 0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.225 -10.722 -3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 62 14.990 -9.775 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.348 -11.425 -2.607 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.695 -11.022 -0.180 1.00 0.00 H new ATOM 1135 N LEU A 63 9.911 -7.763 -4.078 1.00 0.00 N ATOM 1136 CA LEU A 63 9.171 -7.419 -5.286 1.00 0.00 C ATOM 1137 C LEU A 63 9.266 -5.915 -5.505 1.00 0.00 C ATOM 1138 O LEU A 63 9.677 -5.498 -6.585 1.00 0.00 O ATOM 1139 CB LEU A 63 7.694 -7.876 -5.208 1.00 0.00 C ATOM 1140 CG LEU A 63 7.357 -9.254 -5.822 1.00 0.00 C ATOM 1141 CD1 LEU A 63 7.689 -9.325 -7.316 1.00 0.00 C ATOM 1142 CD2 LEU A 63 8.028 -10.432 -5.111 1.00 0.00 C ATOM 0 H LEU A 63 9.327 -8.181 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 63 9.613 -7.944 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.398 -7.890 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.079 -7.124 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 63 6.280 -9.347 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.434 -10.313 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.116 -8.569 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.754 -9.144 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.742 -11.363 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.111 -10.316 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.709 -10.457 -4.069 1.00 0.00 H new ATOM 1154 N ILE A 64 8.928 -5.095 -4.502 1.00 0.00 N ATOM 1155 CA ILE A 64 8.998 -3.643 -4.629 1.00 0.00 C ATOM 1156 C ILE A 64 10.437 -3.219 -4.896 1.00 0.00 C ATOM 1157 O ILE A 64 10.659 -2.463 -5.836 1.00 0.00 O ATOM 1158 CB ILE A 64 8.400 -2.913 -3.409 1.00 0.00 C ATOM 1159 CG1 ILE A 64 6.884 -3.155 -3.263 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.665 -1.397 -3.495 1.00 0.00 C ATOM 1161 CD1 ILE A 64 5.999 -2.597 -4.387 1.00 0.00 C ATOM 0 H ILE A 64 8.602 -5.419 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 64 8.383 -3.348 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 64 8.895 -3.326 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.713 -4.229 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.556 -2.718 -2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.234 -0.902 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.740 -1.216 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.209 -0.999 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.955 -2.827 -4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.127 -1.516 -4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.286 -3.051 -5.336 1.00 0.00 H new ATOM 1173 N ARG A 65 11.426 -3.699 -4.133 1.00 0.00 N ATOM 1174 CA ARG A 65 12.824 -3.323 -4.354 1.00 0.00 C ATOM 1175 C ARG A 65 13.220 -3.606 -5.798 1.00 0.00 C ATOM 1176 O ARG A 65 13.895 -2.782 -6.415 1.00 0.00 O ATOM 1177 CB ARG A 65 13.744 -4.028 -3.349 1.00 0.00 C ATOM 1178 CG ARG A 65 15.146 -3.406 -3.392 1.00 0.00 C ATOM 1179 CD ARG A 65 16.046 -3.919 -2.261 1.00 0.00 C ATOM 1180 NE ARG A 65 16.302 -5.370 -2.329 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.120 -5.981 -3.194 1.00 0.00 C ATOM 1182 NH1 ARG A 65 17.586 -5.327 -4.252 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.494 -7.233 -2.972 1.00 0.00 N ATOM 0 H ARG A 65 11.283 -4.347 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 65 12.937 -2.252 -4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.331 -3.943 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.802 -5.091 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.611 -3.629 -4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.062 -2.321 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.997 -3.388 -2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.583 -3.684 -1.303 1.00 0.00 H new ATOM 0 HE ARG A 65 15.812 -5.960 -1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.321 -4.355 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.209 -5.797 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.158 -7.726 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.117 -7.703 -3.628 1.00 0.00 H new ATOM 1197 N LYS A 66 12.809 -4.758 -6.337 1.00 0.00 N ATOM 1198 CA LYS A 66 13.103 -5.112 -7.715 1.00 0.00 C ATOM 1199 C LYS A 66 12.351 -4.162 -8.642 1.00 0.00 C ATOM 1200 O LYS A 66 12.941 -3.685 -9.598 1.00 0.00 O ATOM 1201 CB LYS A 66 12.763 -6.588 -7.979 1.00 0.00 C ATOM 1202 CG LYS A 66 13.217 -7.036 -9.379 1.00 0.00 C ATOM 1203 CD LYS A 66 12.084 -7.060 -10.416 1.00 0.00 C ATOM 1204 CE LYS A 66 11.192 -8.294 -10.233 1.00 0.00 C ATOM 1205 NZ LYS A 66 11.757 -9.504 -10.869 1.00 0.00 N ATOM 0 H LYS A 66 12.269 -5.460 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 66 14.170 -5.003 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.242 -7.212 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.688 -6.737 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.003 -6.367 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.654 -8.032 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.482 -6.156 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.507 -7.059 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.050 -8.480 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.208 -8.092 -10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.116 -10.308 -10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.869 -9.340 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.685 -9.716 -10.449 1.00 0.00 H new ATOM 1219 N ARG A 67 11.083 -3.843 -8.364 1.00 0.00 N ATOM 1220 CA ARG A 67 10.267 -2.944 -9.176 1.00 0.00 C ATOM 1221 C ARG A 67 10.885 -1.550 -9.223 1.00 0.00 C ATOM 1222 O ARG A 67 10.825 -0.922 -10.268 1.00 0.00 O ATOM 1223 CB ARG A 67 8.827 -2.922 -8.624 1.00 0.00 C ATOM 1224 CG ARG A 67 7.836 -1.957 -9.298 1.00 0.00 C ATOM 1225 CD ARG A 67 7.311 -2.416 -10.665 1.00 0.00 C ATOM 1226 NE ARG A 67 8.361 -2.438 -11.692 1.00 0.00 N ATOM 1227 CZ ARG A 67 8.845 -1.388 -12.368 1.00 0.00 C ATOM 1228 NH1 ARG A 67 8.288 -0.183 -12.292 1.00 0.00 N ATOM 1229 NH2 ARG A 67 9.914 -1.541 -13.128 1.00 0.00 N ATOM 0 H ARG A 67 10.588 -4.211 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 67 10.232 -3.307 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.421 -3.931 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.874 -2.673 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.987 -1.808 -8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.321 -0.988 -9.418 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.880 -3.413 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.509 -1.751 -10.984 1.00 0.00 H new ATOM 0 HE ARG A 67 8.764 -3.349 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.466 -0.037 -11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.682 0.595 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.364 -2.454 -13.197 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.289 -0.747 -13.646 1.00 0.00 H new ATOM 1243 N ILE A 68 11.499 -1.056 -8.148 1.00 0.00 N ATOM 1244 CA ILE A 68 12.132 0.266 -8.151 1.00 0.00 C ATOM 1245 C ILE A 68 13.620 0.170 -8.547 1.00 0.00 C ATOM 1246 O ILE A 68 14.333 1.167 -8.477 1.00 0.00 O ATOM 1247 CB ILE A 68 11.823 1.058 -6.862 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.434 0.451 -5.588 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.301 1.250 -6.729 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.300 1.359 -4.362 1.00 0.00 C ATOM 0 H ILE A 68 11.572 -1.552 -7.260 1.00 0.00 H new ATOM 0 HA ILE A 68 11.683 0.876 -8.935 1.00 0.00 H new ATOM 0 HB ILE A 68 12.308 2.029 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 68 11.950 -0.503 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.489 0.242 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.083 1.809 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.927 1.801 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.814 0.276 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.751 0.872 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.808 2.304 -4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.245 1.548 -4.163 1.00 0.00 H new ATOM 1262 N HIS A 69 14.072 -1.016 -8.979 1.00 0.00 N ATOM 1263 CA HIS A 69 15.400 -1.409 -9.443 1.00 0.00 C ATOM 1264 C HIS A 69 16.570 -0.694 -8.751 1.00 0.00 C ATOM 1265 O HIS A 69 17.261 0.117 -9.373 1.00 0.00 O ATOM 1266 CB HIS A 69 15.449 -1.248 -10.972 1.00 0.00 C ATOM 1267 CG HIS A 69 14.418 -2.052 -11.728 1.00 0.00 C ATOM 1268 ND1 HIS A 69 14.600 -3.308 -12.256 1.00 0.00 N ATOM 1269 CD2 HIS A 69 13.146 -1.652 -12.047 1.00 0.00 C ATOM 1270 CE1 HIS A 69 13.460 -3.662 -12.866 1.00 0.00 C ATOM 1271 NE2 HIS A 69 12.541 -2.686 -12.781 1.00 0.00 N ATOM 0 H HIS A 69 13.436 -1.813 -9.013 1.00 0.00 H new ATOM 0 HA HIS A 69 15.544 -2.452 -9.162 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.318 -0.194 -11.216 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.441 -1.535 -11.322 1.00 0.00 H new ATOM 0 HD1 HIS A 69 15.449 -3.869 -12.195 1.00 0.00 H new ATOM 0 HD2 HIS A 69 12.690 -0.710 -11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 69 13.301 -4.609 -13.361 1.00 0.00 H new ATOM 1279 N LEU A 70 16.805 -0.979 -7.464 1.00 0.00 N ATOM 1280 CA LEU A 70 17.914 -0.348 -6.734 1.00 0.00 C ATOM 1281 C LEU A 70 19.174 -1.201 -6.818 1.00 0.00 C ATOM 1282 O LEU A 70 19.091 -2.430 -6.951 1.00 0.00 O ATOM 1283 CB LEU A 70 17.624 -0.156 -5.242 1.00 0.00 C ATOM 1284 CG LEU A 70 16.264 0.453 -4.897 1.00 0.00 C ATOM 1285 CD1 LEU A 70 16.186 0.582 -3.380 1.00 0.00 C ATOM 1286 CD2 LEU A 70 16.025 1.818 -5.549 1.00 0.00 C ATOM 0 H LEU A 70 16.251 -1.633 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 70 18.046 0.624 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.702 -1.125 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 70 18.402 0.480 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 70 15.488 -0.205 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.225 1.014 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.286 -0.404 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.991 1.228 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.042 2.191 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.791 2.519 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.072 1.717 -6.633 1.00 0.00 H new ATOM 1298 N ARG A 71 20.338 -0.567 -6.684 1.00 0.00 N ATOM 1299 CA ARG A 71 21.636 -1.245 -6.712 1.00 0.00 C ATOM 1300 C ARG A 71 21.834 -1.970 -5.372 1.00 0.00 C ATOM 1301 O ARG A 71 21.102 -1.684 -4.425 1.00 0.00 O ATOM 1302 CB ARG A 71 22.727 -0.210 -7.056 1.00 0.00 C ATOM 1303 CG ARG A 71 23.334 0.582 -5.897 1.00 0.00 C ATOM 1304 CD ARG A 71 23.949 1.917 -6.360 1.00 0.00 C ATOM 1305 NE ARG A 71 23.831 2.920 -5.296 1.00 0.00 N ATOM 1306 CZ ARG A 71 24.783 3.623 -4.683 1.00 0.00 C ATOM 1307 NH1 ARG A 71 26.002 3.720 -5.199 1.00 0.00 N ATOM 1308 NH2 ARG A 71 24.492 4.215 -3.534 1.00 0.00 N ATOM 0 H ARG A 71 20.409 0.442 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 71 21.694 -2.011 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 71 23.536 -0.731 -7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 71 22.305 0.501 -7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 71 22.564 0.779 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 71 24.102 -0.020 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 71 24.998 1.773 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 71 23.443 2.268 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 71 22.880 3.107 -4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 71 26.222 3.252 -6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 71 26.718 4.262 -4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 71 23.556 4.127 -3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.204 4.759 -3.046 1.00 0.00 H new ATOM 1322 N PRO A 72 22.786 -2.906 -5.230 1.00 0.00 N ATOM 1323 CA PRO A 72 22.977 -3.601 -3.962 1.00 0.00 C ATOM 1324 C PRO A 72 23.569 -2.696 -2.876 1.00 0.00 C ATOM 1325 O PRO A 72 23.429 -3.002 -1.695 1.00 0.00 O ATOM 1326 CB PRO A 72 23.883 -4.788 -4.285 1.00 0.00 C ATOM 1327 CG PRO A 72 24.707 -4.286 -5.471 1.00 0.00 C ATOM 1328 CD PRO A 72 23.730 -3.383 -6.227 1.00 0.00 C ATOM 0 HA PRO A 72 22.024 -3.927 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 72 24.516 -5.053 -3.438 1.00 0.00 H new ATOM 0 HB3 PRO A 72 23.306 -5.676 -4.543 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.590 -3.737 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.057 -5.109 -6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.252 -2.552 -6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.220 -3.933 -7.018 1.00 0.00 H new ATOM 1336 N GLU A 73 24.220 -1.597 -3.254 1.00 0.00 N ATOM 1337 CA GLU A 73 24.814 -0.658 -2.311 1.00 0.00 C ATOM 1338 C GLU A 73 23.739 0.193 -1.624 1.00 0.00 C ATOM 1339 O GLU A 73 23.930 0.625 -0.490 1.00 0.00 O ATOM 1340 CB GLU A 73 25.748 0.272 -3.095 1.00 0.00 C ATOM 1341 CG GLU A 73 26.852 0.884 -2.231 1.00 0.00 C ATOM 1342 CD GLU A 73 28.039 -0.069 -2.137 1.00 0.00 C ATOM 1343 OE1 GLU A 73 28.057 -0.937 -1.240 1.00 0.00 O ATOM 1344 OE2 GLU A 73 28.965 0.084 -2.976 1.00 0.00 O ATOM 0 H GLU A 73 24.350 -1.334 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 73 25.353 -1.216 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.203 -0.286 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.160 1.073 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.173 1.834 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.467 1.096 -1.234 1.00 0.00 H new ATOM 1351 N ASP A 74 22.614 0.448 -2.302 1.00 0.00 N ATOM 1352 CA ASP A 74 21.527 1.265 -1.765 1.00 0.00 C ATOM 1353 C ASP A 74 20.772 0.550 -0.650 1.00 0.00 C ATOM 1354 O ASP A 74 20.800 -0.683 -0.538 1.00 0.00 O ATOM 1355 CB ASP A 74 20.547 1.681 -2.875 1.00 0.00 C ATOM 1356 CG ASP A 74 21.103 2.797 -3.758 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.698 3.772 -3.233 1.00 0.00 O ATOM 1358 OD2 ASP A 74 21.078 2.650 -5.000 1.00 0.00 O ATOM 0 H ASP A 74 22.434 0.091 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 74 21.986 2.159 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.315 0.814 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.611 2.011 -2.424 1.00 0.00 H new ATOM 1363 N ALA A 75 20.124 1.338 0.208 1.00 0.00 N ATOM 1364 CA ALA A 75 19.323 0.877 1.331 1.00 0.00 C ATOM 1365 C ALA A 75 17.860 1.179 1.012 1.00 0.00 C ATOM 1366 O ALA A 75 17.564 2.085 0.232 1.00 0.00 O ATOM 1367 CB ALA A 75 19.777 1.580 2.616 1.00 0.00 C ATOM 0 H ALA A 75 20.147 2.355 0.132 1.00 0.00 H new ATOM 0 HA ALA A 75 19.445 -0.195 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.174 1.231 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 75 20.826 1.352 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.654 2.657 2.504 1.00 0.00 H new ATOM 1373 N LEU A 76 16.938 0.406 1.580 1.00 0.00 N ATOM 1374 CA LEU A 76 15.506 0.583 1.373 1.00 0.00 C ATOM 1375 C LEU A 76 14.774 0.029 2.581 1.00 0.00 C ATOM 1376 O LEU A 76 14.946 -1.154 2.889 1.00 0.00 O ATOM 1377 CB LEU A 76 15.069 -0.158 0.103 1.00 0.00 C ATOM 1378 CG LEU A 76 13.557 -0.074 -0.181 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.088 1.351 -0.493 1.00 0.00 C ATOM 1380 CD2 LEU A 76 13.241 -0.982 -1.373 1.00 0.00 C ATOM 0 H LEU A 76 17.168 -0.368 2.203 1.00 0.00 H new ATOM 0 HA LEU A 76 15.271 1.641 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.612 0.251 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 76 15.355 -1.206 0.190 1.00 0.00 H new ATOM 0 HG LEU A 76 13.029 -0.392 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.015 1.347 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.303 1.999 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.612 1.722 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.174 -0.938 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.804 -0.648 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.520 -2.008 -1.133 1.00 0.00 H new ATOM 1392 N PHE A 77 13.951 0.853 3.224 1.00 0.00 N ATOM 1393 CA PHE A 77 13.166 0.474 4.389 1.00 0.00 C ATOM 1394 C PHE A 77 11.724 0.906 4.159 1.00 0.00 C ATOM 1395 O PHE A 77 11.465 1.875 3.427 1.00 0.00 O ATOM 1396 CB PHE A 77 13.769 1.065 5.671 1.00 0.00 C ATOM 1397 CG PHE A 77 15.173 0.575 5.994 1.00 0.00 C ATOM 1398 CD1 PHE A 77 15.461 -0.805 6.052 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.207 1.502 6.216 1.00 0.00 C ATOM 1400 CE1 PHE A 77 16.767 -1.249 6.318 1.00 0.00 C ATOM 1401 CE2 PHE A 77 17.517 1.059 6.460 1.00 0.00 C ATOM 1402 CZ PHE A 77 17.797 -0.315 6.516 1.00 0.00 C ATOM 0 H PHE A 77 13.810 1.823 2.941 1.00 0.00 H new ATOM 0 HA PHE A 77 13.183 -0.607 4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.789 2.151 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.113 0.827 6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 77 14.672 -1.525 5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.992 2.560 6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.979 -2.307 6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.311 1.777 6.605 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.804 -0.654 6.711 1.00 0.00 H new ATOM 1412 N PHE A 78 10.798 0.155 4.761 1.00 0.00 N ATOM 1413 CA PHE A 78 9.365 0.374 4.665 1.00 0.00 C ATOM 1414 C PHE A 78 8.801 0.607 6.058 1.00 0.00 C ATOM 1415 O PHE A 78 9.052 -0.172 6.977 1.00 0.00 O ATOM 1416 CB PHE A 78 8.690 -0.827 3.999 1.00 0.00 C ATOM 1417 CG PHE A 78 9.084 -1.041 2.554 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.191 -1.849 2.238 1.00 0.00 C ATOM 1419 CD2 PHE A 78 8.354 -0.419 1.527 1.00 0.00 C ATOM 1420 CE1 PHE A 78 10.566 -2.041 0.900 1.00 0.00 C ATOM 1421 CE2 PHE A 78 8.735 -0.601 0.187 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.841 -1.411 -0.123 1.00 0.00 C ATOM 0 H PHE A 78 11.040 -0.645 5.345 1.00 0.00 H new ATOM 0 HA PHE A 78 9.169 1.253 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.932 -1.726 4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.609 -0.698 4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.754 -2.323 3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.501 0.198 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.409 -2.671 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.179 -0.119 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 78 10.134 -1.549 -1.153 1.00 0.00 H new ATOM 1432 N PHE A 79 7.963 1.628 6.186 1.00 0.00 N ATOM 1433 CA PHE A 79 7.337 2.041 7.431 1.00 0.00 C ATOM 1434 C PHE A 79 5.829 2.011 7.216 1.00 0.00 C ATOM 1435 O PHE A 79 5.332 2.701 6.326 1.00 0.00 O ATOM 1436 CB PHE A 79 7.837 3.455 7.795 1.00 0.00 C ATOM 1437 CG PHE A 79 9.300 3.748 7.481 1.00 0.00 C ATOM 1438 CD1 PHE A 79 9.679 4.103 6.169 1.00 0.00 C ATOM 1439 CD2 PHE A 79 10.288 3.654 8.477 1.00 0.00 C ATOM 1440 CE1 PHE A 79 11.027 4.323 5.848 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.639 3.891 8.160 1.00 0.00 C ATOM 1442 CZ PHE A 79 12.008 4.219 6.844 1.00 0.00 C ATOM 0 H PHE A 79 7.692 2.212 5.395 1.00 0.00 H new ATOM 0 HA PHE A 79 7.592 1.377 8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 79 7.220 4.184 7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.676 3.612 8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 79 8.924 4.206 5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.009 3.399 9.489 1.00 0.00 H new ATOM 0 HE1 PHE A 79 11.308 4.572 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.393 3.821 8.930 1.00 0.00 H new ATOM 0 HZ PHE A 79 13.046 4.391 6.600 1.00 0.00 H new ATOM 1452 N VAL A 80 5.095 1.212 7.980 1.00 0.00 N ATOM 1453 CA VAL A 80 3.641 1.051 7.921 1.00 0.00 C ATOM 1454 C VAL A 80 3.118 1.504 9.272 1.00 0.00 C ATOM 1455 O VAL A 80 3.668 1.080 10.286 1.00 0.00 O ATOM 1456 CB VAL A 80 3.261 -0.414 7.592 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.188 -1.449 8.247 1.00 0.00 C ATOM 1458 CG2 VAL A 80 1.819 -0.768 7.995 1.00 0.00 C ATOM 0 H VAL A 80 5.518 0.625 8.699 1.00 0.00 H new ATOM 0 HA VAL A 80 3.194 1.647 7.125 1.00 0.00 H new ATOM 0 HB VAL A 80 3.367 -0.465 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.863 -2.453 7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.210 -1.292 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.150 -1.338 9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.614 -1.807 7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.697 -0.629 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.123 -0.119 7.463 1.00 0.00 H new ATOM 1468 N ASN A 81 2.087 2.354 9.302 1.00 0.00 N ATOM 1469 CA ASN A 81 1.492 2.884 10.534 1.00 0.00 C ATOM 1470 C ASN A 81 2.616 3.371 11.463 1.00 0.00 C ATOM 1471 O ASN A 81 2.626 3.123 12.673 1.00 0.00 O ATOM 1472 CB ASN A 81 0.546 1.836 11.151 1.00 0.00 C ATOM 1473 CG ASN A 81 -0.765 1.729 10.377 1.00 0.00 C ATOM 1474 OD1 ASN A 81 -0.778 1.457 9.178 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -1.892 1.979 11.015 1.00 0.00 N ATOM 0 H ASN A 81 1.634 2.700 8.456 1.00 0.00 H new ATOM 0 HA ASN A 81 0.865 3.753 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.040 0.864 11.165 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.336 2.102 12.187 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.780 1.947 10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.876 2.204 12.010 1.00 0.00 H new ATOM 1482 N ASN A 82 3.615 4.036 10.865 1.00 0.00 N ATOM 1483 CA ASN A 82 4.824 4.582 11.489 1.00 0.00 C ATOM 1484 C ASN A 82 5.508 3.535 12.387 1.00 0.00 C ATOM 1485 O ASN A 82 5.961 3.853 13.486 1.00 0.00 O ATOM 1486 CB ASN A 82 4.552 5.928 12.191 1.00 0.00 C ATOM 1487 CG ASN A 82 3.837 6.924 11.286 1.00 0.00 C ATOM 1488 OD1 ASN A 82 2.666 7.247 11.491 1.00 0.00 O ATOM 1489 ND2 ASN A 82 4.502 7.356 10.228 1.00 0.00 N ATOM 0 H ASN A 82 3.596 4.218 9.862 1.00 0.00 H new ATOM 0 HA ASN A 82 5.540 4.813 10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 82 3.949 5.754 13.082 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.497 6.358 12.524 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.046 7.973 9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.471 7.072 10.084 1.00 0.00 H new ATOM 1496 N THR A 83 5.566 2.281 11.928 1.00 0.00 N ATOM 1497 CA THR A 83 6.147 1.108 12.574 1.00 0.00 C ATOM 1498 C THR A 83 6.940 0.323 11.504 1.00 0.00 C ATOM 1499 O THR A 83 6.589 0.374 10.321 1.00 0.00 O ATOM 1500 CB THR A 83 4.994 0.251 13.156 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.049 1.022 13.892 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.486 -0.847 14.106 1.00 0.00 C ATOM 0 H THR A 83 5.173 2.044 11.017 1.00 0.00 H new ATOM 0 HA THR A 83 6.820 1.383 13.386 1.00 0.00 H new ATOM 0 HB THR A 83 4.528 -0.187 12.273 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.588 1.639 13.286 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.633 -1.413 14.481 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.159 -1.517 13.571 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.016 -0.393 14.943 1.00 0.00 H new ATOM 1510 N ILE A 84 7.970 -0.439 11.897 1.00 0.00 N ATOM 1511 CA ILE A 84 8.810 -1.249 11.010 1.00 0.00 C ATOM 1512 C ILE A 84 8.650 -2.733 11.407 1.00 0.00 C ATOM 1513 O ILE A 84 9.382 -3.218 12.276 1.00 0.00 O ATOM 1514 CB ILE A 84 10.280 -0.764 11.039 1.00 0.00 C ATOM 1515 CG1 ILE A 84 10.359 0.759 10.807 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.083 -1.515 9.963 1.00 0.00 C ATOM 1517 CD1 ILE A 84 11.782 1.332 10.780 1.00 0.00 C ATOM 0 H ILE A 84 8.249 -0.509 12.876 1.00 0.00 H new ATOM 0 HA ILE A 84 8.489 -1.137 9.974 1.00 0.00 H new ATOM 0 HB ILE A 84 10.705 -0.974 12.020 1.00 0.00 H new ATOM 0 HG12 ILE A 84 9.869 0.994 9.862 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.795 1.262 11.592 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.119 -1.177 9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.048 -2.586 10.164 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.652 -1.315 8.982 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.738 2.408 10.612 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.272 1.134 11.733 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.348 0.862 9.976 1.00 0.00 H new ATOM 1529 N PRO A 85 7.693 -3.475 10.820 1.00 0.00 N ATOM 1530 CA PRO A 85 7.466 -4.884 11.137 1.00 0.00 C ATOM 1531 C PRO A 85 8.553 -5.815 10.562 1.00 0.00 C ATOM 1532 O PRO A 85 9.276 -5.431 9.633 1.00 0.00 O ATOM 1533 CB PRO A 85 6.097 -5.204 10.525 1.00 0.00 C ATOM 1534 CG PRO A 85 5.990 -4.256 9.339 1.00 0.00 C ATOM 1535 CD PRO A 85 6.764 -3.020 9.797 1.00 0.00 C ATOM 0 HA PRO A 85 7.502 -5.049 12.214 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.035 -6.246 10.210 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.292 -5.039 11.241 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.424 -4.690 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.952 -4.017 9.109 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.297 -2.564 8.963 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.088 -2.263 10.195 1.00 0.00 H new ATOM 1543 N PRO A 86 8.650 -7.065 11.055 1.00 0.00 N ATOM 1544 CA PRO A 86 9.624 -8.047 10.585 1.00 0.00 C ATOM 1545 C PRO A 86 9.239 -8.547 9.191 1.00 0.00 C ATOM 1546 O PRO A 86 8.054 -8.714 8.883 1.00 0.00 O ATOM 1547 CB PRO A 86 9.566 -9.196 11.598 1.00 0.00 C ATOM 1548 CG PRO A 86 8.164 -9.103 12.189 1.00 0.00 C ATOM 1549 CD PRO A 86 7.855 -7.612 12.144 1.00 0.00 C ATOM 0 HA PRO A 86 10.626 -7.624 10.510 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.732 -10.160 11.117 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.331 -9.088 12.367 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.445 -9.679 11.607 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.132 -9.489 13.208 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.792 -7.440 11.975 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.109 -7.133 13.090 1.00 0.00 H new ATOM 1557 N THR A 87 10.222 -8.815 8.336 1.00 0.00 N ATOM 1558 CA THR A 87 9.978 -9.305 6.988 1.00 0.00 C ATOM 1559 C THR A 87 9.428 -10.738 6.988 1.00 0.00 C ATOM 1560 O THR A 87 8.675 -11.097 6.088 1.00 0.00 O ATOM 1561 CB THR A 87 11.250 -9.144 6.141 1.00 0.00 C ATOM 1562 OG1 THR A 87 12.399 -9.567 6.849 1.00 0.00 O ATOM 1563 CG2 THR A 87 11.462 -7.680 5.750 1.00 0.00 C ATOM 0 H THR A 87 11.210 -8.698 8.561 1.00 0.00 H new ATOM 0 HA THR A 87 9.196 -8.701 6.527 1.00 0.00 H new ATOM 0 HB THR A 87 11.113 -9.761 5.253 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.192 -9.454 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.368 -7.591 5.151 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.608 -7.331 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.561 -7.074 6.650 1.00 0.00 H new ATOM 1571 N SER A 88 9.732 -11.539 8.016 1.00 0.00 N ATOM 1572 CA SER A 88 9.269 -12.923 8.109 1.00 0.00 C ATOM 1573 C SER A 88 7.765 -13.045 8.406 1.00 0.00 C ATOM 1574 O SER A 88 7.239 -14.159 8.369 1.00 0.00 O ATOM 1575 CB SER A 88 10.125 -13.697 9.125 1.00 0.00 C ATOM 1576 OG SER A 88 10.303 -12.987 10.350 1.00 0.00 O ATOM 0 H SER A 88 10.306 -11.243 8.805 1.00 0.00 H new ATOM 0 HA SER A 88 9.399 -13.375 7.126 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.655 -14.658 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.101 -13.907 8.687 1.00 0.00 H new ATOM 0 HG SER A 88 10.852 -13.522 10.961 1.00 0.00 H new ATOM 1582 N ALA A 89 7.073 -11.959 8.782 1.00 0.00 N ATOM 1583 CA ALA A 89 5.632 -11.994 9.046 1.00 0.00 C ATOM 1584 C ALA A 89 4.870 -11.956 7.708 1.00 0.00 C ATOM 1585 O ALA A 89 5.480 -11.911 6.634 1.00 0.00 O ATOM 1586 CB ALA A 89 5.250 -10.802 9.935 1.00 0.00 C ATOM 0 H ALA A 89 7.495 -11.039 8.910 1.00 0.00 H new ATOM 0 HA ALA A 89 5.365 -12.912 9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.178 -10.825 10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.795 -10.861 10.877 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.505 -9.872 9.426 1.00 0.00 H new ATOM 1592 N THR A 90 3.537 -11.952 7.745 1.00 0.00 N ATOM 1593 CA THR A 90 2.710 -11.885 6.541 1.00 0.00 C ATOM 1594 C THR A 90 1.920 -10.574 6.516 1.00 0.00 C ATOM 1595 O THR A 90 1.781 -9.907 7.545 1.00 0.00 O ATOM 1596 CB THR A 90 1.832 -13.146 6.386 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.171 -13.510 7.586 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.670 -14.354 5.962 1.00 0.00 C ATOM 0 H THR A 90 3.001 -11.995 8.611 1.00 0.00 H new ATOM 0 HA THR A 90 3.355 -11.878 5.662 1.00 0.00 H new ATOM 0 HB THR A 90 1.095 -12.885 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.629 -14.312 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.025 -15.227 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.151 -14.146 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.432 -14.551 6.716 1.00 0.00 H new ATOM 1606 N MET A 91 1.381 -10.206 5.350 1.00 0.00 N ATOM 1607 CA MET A 91 0.584 -8.993 5.160 1.00 0.00 C ATOM 1608 C MET A 91 -0.631 -9.002 6.089 1.00 0.00 C ATOM 1609 O MET A 91 -1.038 -7.961 6.601 1.00 0.00 O ATOM 1610 CB MET A 91 0.145 -8.881 3.688 1.00 0.00 C ATOM 1611 CG MET A 91 1.051 -7.922 2.909 1.00 0.00 C ATOM 1612 SD MET A 91 1.091 -6.176 3.426 1.00 0.00 S ATOM 1613 CE MET A 91 -0.671 -5.769 3.541 1.00 0.00 C ATOM 0 H MET A 91 1.489 -10.754 4.496 1.00 0.00 H new ATOM 0 HA MET A 91 1.194 -8.125 5.409 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.169 -9.866 3.223 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.886 -8.531 3.639 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.069 -8.309 2.959 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.749 -7.954 1.862 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.786 -4.704 3.744 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.163 -6.014 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.125 -6.343 4.349 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.187 -10.185 6.343 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.326 -10.367 7.212 1.00 0.00 C ATOM 1625 C GLY A 92 -1.993 -9.995 8.653 1.00 0.00 C ATOM 1626 O GLY A 92 -2.890 -9.563 9.358 1.00 0.00 O ATOM 0 H GLY A 92 -0.844 -11.056 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.156 -9.755 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.655 -11.405 7.170 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.732 -10.121 9.093 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.326 -9.788 10.455 1.00 0.00 C ATOM 1632 C GLN A 93 -0.453 -8.281 10.680 1.00 0.00 C ATOM 1633 O GLN A 93 -1.108 -7.859 11.632 1.00 0.00 O ATOM 1634 CB GLN A 93 1.110 -10.301 10.666 1.00 0.00 C ATOM 1635 CG GLN A 93 1.676 -10.182 12.086 1.00 0.00 C ATOM 1636 CD GLN A 93 2.040 -8.754 12.479 1.00 0.00 C ATOM 1637 OE1 GLN A 93 2.913 -8.135 11.869 1.00 0.00 O ATOM 1638 NE2 GLN A 93 1.390 -8.218 13.494 1.00 0.00 N ATOM 0 H GLN A 93 0.032 -10.458 8.508 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.973 -10.268 11.189 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.145 -11.350 10.372 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.769 -9.758 9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.944 -10.570 12.794 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.563 -10.810 12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.672 -8.755 13.980 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.606 -7.267 13.793 1.00 0.00 H new ATOM 1647 N LEU A 94 0.130 -7.456 9.800 1.00 0.00 N ATOM 1648 CA LEU A 94 0.018 -6.010 9.968 1.00 0.00 C ATOM 1649 C LEU A 94 -1.445 -5.612 9.785 1.00 0.00 C ATOM 1650 O LEU A 94 -1.921 -4.733 10.486 1.00 0.00 O ATOM 1651 CB LEU A 94 1.035 -5.217 9.123 1.00 0.00 C ATOM 1652 CG LEU A 94 0.980 -5.363 7.588 1.00 0.00 C ATOM 1653 CD1 LEU A 94 -0.071 -4.449 6.939 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.345 -5.020 6.976 1.00 0.00 C ATOM 0 H LEU A 94 0.668 -7.758 8.988 1.00 0.00 H new ATOM 0 HA LEU A 94 0.305 -5.731 10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.914 -4.160 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.035 -5.504 9.449 1.00 0.00 H new ATOM 0 HG LEU A 94 0.706 -6.399 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.063 -4.596 5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.058 -4.694 7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.162 -3.409 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.295 -5.126 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.609 -3.993 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.102 -5.697 7.372 1.00 0.00 H new ATOM 1666 N TYR A 95 -2.176 -6.265 8.877 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.587 -5.989 8.651 1.00 0.00 C ATOM 1668 C TYR A 95 -4.418 -6.323 9.898 1.00 0.00 C ATOM 1669 O TYR A 95 -5.410 -5.651 10.173 1.00 0.00 O ATOM 1670 CB TYR A 95 -4.065 -6.712 7.391 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.568 -6.826 7.240 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -6.377 -5.674 7.193 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -6.155 -8.098 7.112 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.747 -5.783 6.905 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.524 -8.216 6.831 1.00 0.00 C ATOM 1676 CZ TYR A 95 -8.316 -7.056 6.684 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.618 -7.161 6.315 1.00 0.00 O ATOM 0 H TYR A 95 -1.800 -7.001 8.279 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.727 -4.922 8.477 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.668 -6.191 6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.639 -7.715 7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.942 -4.703 7.379 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.550 -8.985 7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.363 -4.897 6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.972 -9.193 6.727 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.851 -8.106 6.203 1.00 0.00 H new ATOM 1687 N GLU A 96 -4.055 -7.366 10.639 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.730 -7.798 11.850 1.00 0.00 C ATOM 1689 C GLU A 96 -4.539 -6.732 12.927 1.00 0.00 C ATOM 1690 O GLU A 96 -5.498 -6.380 13.612 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.163 -9.163 12.289 1.00 0.00 C ATOM 1692 CG GLU A 96 -4.907 -9.817 13.454 1.00 0.00 C ATOM 1693 CD GLU A 96 -6.350 -10.147 13.083 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -6.584 -10.928 12.133 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -7.273 -9.629 13.753 1.00 0.00 O ATOM 0 H GLU A 96 -3.254 -7.951 10.401 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.799 -7.921 11.676 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.183 -9.841 11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.118 -9.034 12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.389 -10.729 13.751 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.896 -9.149 14.315 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.323 -6.196 13.061 1.00 0.00 N ATOM 1703 CA ASP A 97 -3.009 -5.178 14.064 1.00 0.00 C ATOM 1704 C ASP A 97 -3.497 -3.777 13.688 1.00 0.00 C ATOM 1705 O ASP A 97 -3.928 -3.015 14.550 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.490 -5.124 14.269 1.00 0.00 C ATOM 1707 CG ASP A 97 -1.132 -4.205 15.436 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -1.386 -4.614 16.591 1.00 0.00 O ATOM 1709 OD2 ASP A 97 -0.514 -3.135 15.230 1.00 0.00 O ATOM 0 H ASP A 97 -2.529 -6.457 12.476 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.531 -5.469 14.975 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -1.108 -6.127 14.460 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -1.008 -4.768 13.359 1.00 0.00 H new ATOM 1714 N ASN A 98 -3.457 -3.419 12.405 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.852 -2.121 11.862 1.00 0.00 C ATOM 1716 C ASN A 98 -5.324 -2.061 11.450 1.00 0.00 C ATOM 1717 O ASN A 98 -5.731 -1.044 10.894 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.903 -1.701 10.722 1.00 0.00 C ATOM 1719 CG ASN A 98 -1.445 -1.533 11.147 1.00 0.00 C ATOM 1720 OD1 ASN A 98 -0.523 -1.879 10.412 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -1.186 -0.983 12.323 1.00 0.00 N ATOM 0 H ASN A 98 -3.132 -4.059 11.680 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.756 -1.393 12.667 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.954 -2.447 9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.256 -0.761 10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.220 -0.846 12.620 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.953 -0.696 12.932 1.00 0.00 H new ATOM 1728 N HIS A 99 -6.094 -3.138 11.649 1.00 0.00 N ATOM 1729 CA HIS A 99 -7.509 -3.254 11.304 1.00 0.00 C ATOM 1730 C HIS A 99 -8.342 -2.027 11.714 1.00 0.00 C ATOM 1731 O HIS A 99 -8.730 -1.849 12.874 1.00 0.00 O ATOM 1732 CB HIS A 99 -8.098 -4.586 11.814 1.00 0.00 C ATOM 1733 CG HIS A 99 -8.486 -4.658 13.269 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -9.731 -5.004 13.743 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -7.692 -4.369 14.347 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -9.687 -4.915 15.081 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -8.473 -4.522 15.495 1.00 0.00 N ATOM 0 H HIS A 99 -5.727 -3.989 12.075 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.568 -3.272 10.216 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.981 -4.815 11.218 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.370 -5.373 11.620 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.653 -4.077 14.315 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.518 -5.131 15.737 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.178 -4.366 16.459 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.644 -1.167 10.747 1.00 0.00 N ATOM 1746 CA GLU A 100 -9.424 0.040 10.942 1.00 0.00 C ATOM 1747 C GLU A 100 -10.791 -0.187 10.278 1.00 0.00 C ATOM 1748 O GLU A 100 -11.009 -1.204 9.609 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.603 1.235 10.417 1.00 0.00 C ATOM 1750 CG GLU A 100 -9.101 2.570 10.960 1.00 0.00 C ATOM 1751 CD GLU A 100 -8.136 3.725 10.717 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -8.252 4.389 9.660 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -7.282 3.986 11.598 1.00 0.00 O ATOM 0 H GLU A 100 -8.343 -1.298 9.781 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.632 0.276 11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.557 1.102 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.646 1.251 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.060 2.805 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.278 2.474 12.031 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.736 0.736 10.441 1.00 0.00 N ATOM 1761 CA GLU A 101 -13.076 0.605 9.861 1.00 0.00 C ATOM 1762 C GLU A 101 -13.099 0.880 8.345 1.00 0.00 C ATOM 1763 O GLU A 101 -14.156 0.757 7.713 1.00 0.00 O ATOM 1764 CB GLU A 101 -14.014 1.587 10.572 1.00 0.00 C ATOM 1765 CG GLU A 101 -14.268 1.250 12.046 1.00 0.00 C ATOM 1766 CD GLU A 101 -15.151 2.317 12.688 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -16.233 2.637 12.136 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -14.780 2.871 13.748 1.00 0.00 O ATOM 0 H GLU A 101 -11.598 1.593 10.976 1.00 0.00 H new ATOM 0 HA GLU A 101 -13.402 -0.426 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.591 2.589 10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.968 1.609 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.748 0.275 12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -13.320 1.183 12.580 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.956 1.266 7.767 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.786 1.584 6.351 1.00 0.00 C ATOM 1777 C ASP A 102 -11.207 0.448 5.510 1.00 0.00 C ATOM 1778 O ASP A 102 -11.375 0.476 4.294 1.00 0.00 O ATOM 1779 CB ASP A 102 -10.922 2.843 6.182 1.00 0.00 C ATOM 1780 CG ASP A 102 -9.405 2.628 6.285 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -8.932 1.674 6.947 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -8.664 3.494 5.775 1.00 0.00 O ATOM 0 H ASP A 102 -11.091 1.368 8.298 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.794 1.757 5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.143 3.285 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.220 3.570 6.938 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.614 -0.579 6.126 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.002 -1.726 5.458 1.00 0.00 C ATOM 1789 C TYR A 103 -8.947 -1.327 4.407 1.00 0.00 C ATOM 1790 O TYR A 103 -9.015 -1.751 3.248 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.084 -2.650 4.881 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.085 -3.198 5.882 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -11.656 -4.035 6.929 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.453 -2.897 5.745 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -12.583 -4.565 7.840 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.392 -3.441 6.636 1.00 0.00 C ATOM 1797 CZ TYR A 103 -13.955 -4.265 7.700 1.00 0.00 C ATOM 1798 OH TYR A 103 -14.863 -4.756 8.589 1.00 0.00 O ATOM 0 H TYR A 103 -10.546 -0.634 7.142 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.449 -2.283 6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.630 -2.104 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.594 -3.490 4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.607 -4.271 7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.782 -2.244 4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -12.247 -5.201 8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.444 -3.231 6.510 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.761 -4.450 8.343 1.00 0.00 H new ATOM 1808 N PHE A 104 -7.971 -0.503 4.787 1.00 0.00 N ATOM 1809 CA PHE A 104 -6.883 -0.039 3.931 1.00 0.00 C ATOM 1810 C PHE A 104 -5.586 -0.032 4.729 1.00 0.00 C ATOM 1811 O PHE A 104 -5.630 0.229 5.931 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.184 1.378 3.421 1.00 0.00 C ATOM 1813 CG PHE A 104 -7.163 1.500 1.915 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -5.960 1.360 1.198 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -8.362 1.737 1.225 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -5.963 1.448 -0.205 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -8.362 1.814 -0.174 1.00 0.00 C ATOM 1818 CZ PHE A 104 -7.166 1.671 -0.896 1.00 0.00 C ATOM 0 H PHE A 104 -7.916 -0.128 5.734 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.785 -0.708 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.163 1.686 3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.454 2.069 3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.034 1.185 1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -9.285 1.860 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.038 1.344 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.289 1.985 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 104 -7.171 1.732 -1.974 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.432 -0.249 4.083 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.139 -0.241 4.774 1.00 0.00 C ATOM 1830 C LEU A 105 -2.186 0.712 4.050 1.00 0.00 C ATOM 1831 O LEU A 105 -2.080 0.659 2.828 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.546 -1.661 4.836 1.00 0.00 C ATOM 1833 CG LEU A 105 -3.229 -2.700 5.743 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -3.367 -2.205 7.185 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -4.570 -3.211 5.215 1.00 0.00 C ATOM 0 H LEU A 105 -4.370 -0.432 3.082 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.282 0.104 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.536 -2.061 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.507 -1.574 5.155 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.554 -3.556 5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.854 -2.971 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.379 -1.996 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.966 -1.295 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.983 -3.939 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.262 -2.375 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.422 -3.684 4.244 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.523 1.625 4.756 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.572 2.577 4.179 1.00 0.00 C ATOM 1849 C TYR A 106 0.855 2.191 4.558 1.00 0.00 C ATOM 1850 O TYR A 106 1.111 1.719 5.668 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.939 3.986 4.662 1.00 0.00 C ATOM 1852 CG TYR A 106 0.126 5.073 4.675 1.00 0.00 C ATOM 1853 CD1 TYR A 106 1.029 5.261 3.608 1.00 0.00 C ATOM 1854 CD2 TYR A 106 0.182 5.938 5.786 1.00 0.00 C ATOM 1855 CE1 TYR A 106 2.045 6.227 3.710 1.00 0.00 C ATOM 1856 CE2 TYR A 106 1.160 6.941 5.867 1.00 0.00 C ATOM 1857 CZ TYR A 106 2.114 7.072 4.838 1.00 0.00 C ATOM 1858 OH TYR A 106 3.090 8.014 4.927 1.00 0.00 O ATOM 0 H TYR A 106 -1.633 1.727 5.765 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.625 2.560 3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.761 4.341 4.040 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.324 3.894 5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.940 4.663 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.536 5.828 6.585 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.776 6.323 2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.182 7.610 6.715 1.00 0.00 H new ATOM 0 HH TYR A 106 2.991 8.509 5.767 1.00 0.00 H new ATOM 1868 N VAL A 107 1.784 2.290 3.612 1.00 0.00 N ATOM 1869 CA VAL A 107 3.194 2.025 3.808 1.00 0.00 C ATOM 1870 C VAL A 107 3.965 3.123 3.075 1.00 0.00 C ATOM 1871 O VAL A 107 3.566 3.582 2.000 1.00 0.00 O ATOM 1872 CB VAL A 107 3.562 0.585 3.412 1.00 0.00 C ATOM 1873 CG1 VAL A 107 3.391 0.304 1.920 1.00 0.00 C ATOM 1874 CG2 VAL A 107 4.983 0.207 3.847 1.00 0.00 C ATOM 0 H VAL A 107 1.561 2.567 2.656 1.00 0.00 H new ATOM 0 HA VAL A 107 3.472 2.067 4.861 1.00 0.00 H new ATOM 0 HB VAL A 107 2.850 -0.041 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.668 -0.729 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.351 0.466 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.032 0.975 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.195 -0.819 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.699 0.880 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.066 0.290 4.931 1.00 0.00 H new ATOM 1884 N ALA A 108 5.062 3.569 3.669 1.00 0.00 N ATOM 1885 CA ALA A 108 5.946 4.578 3.126 1.00 0.00 C ATOM 1886 C ALA A 108 7.271 3.878 2.852 1.00 0.00 C ATOM 1887 O ALA A 108 7.620 2.963 3.602 1.00 0.00 O ATOM 1888 CB ALA A 108 6.113 5.726 4.121 1.00 0.00 C ATOM 0 H ALA A 108 5.369 3.221 4.578 1.00 0.00 H new ATOM 0 HA ALA A 108 5.548 5.016 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.780 6.478 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.141 6.176 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.537 5.344 5.050 1.00 0.00 H new ATOM 1894 N TYR A 109 8.005 4.293 1.820 1.00 0.00 N ATOM 1895 CA TYR A 109 9.297 3.710 1.471 1.00 0.00 C ATOM 1896 C TYR A 109 10.327 4.825 1.361 1.00 0.00 C ATOM 1897 O TYR A 109 10.001 5.901 0.849 1.00 0.00 O ATOM 1898 CB TYR A 109 9.196 2.821 0.218 1.00 0.00 C ATOM 1899 CG TYR A 109 8.951 3.461 -1.144 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.653 3.853 -1.519 1.00 0.00 C ATOM 1901 CD2 TYR A 109 9.990 3.544 -2.093 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.394 4.351 -2.811 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.734 4.017 -3.395 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.438 4.442 -3.758 1.00 0.00 C ATOM 1905 OH TYR A 109 8.177 4.920 -5.011 1.00 0.00 O ATOM 0 H TYR A 109 7.716 5.049 1.199 1.00 0.00 H new ATOM 0 HA TYR A 109 9.631 3.035 2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.122 2.250 0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.393 2.105 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.845 3.771 -0.807 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.990 3.243 -1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.395 4.664 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.534 4.055 -4.120 1.00 0.00 H new ATOM 0 HH TYR A 109 9.002 4.919 -5.540 1.00 0.00 H new ATOM 1915 N SER A 110 11.540 4.588 1.869 1.00 0.00 N ATOM 1916 CA SER A 110 12.609 5.575 1.821 1.00 0.00 C ATOM 1917 C SER A 110 13.968 4.914 1.657 1.00 0.00 C ATOM 1918 O SER A 110 14.161 3.751 2.026 1.00 0.00 O ATOM 1919 CB SER A 110 12.632 6.411 3.110 1.00 0.00 C ATOM 1920 OG SER A 110 13.351 7.605 2.873 1.00 0.00 O ATOM 0 H SER A 110 11.802 3.712 2.321 1.00 0.00 H new ATOM 0 HA SER A 110 12.412 6.215 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.615 6.641 3.427 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.098 5.845 3.917 1.00 0.00 H new ATOM 0 HG SER A 110 13.910 7.811 3.652 1.00 0.00 H new ATOM 1926 N ASP A 111 14.892 5.691 1.091 1.00 0.00 N ATOM 1927 CA ASP A 111 16.280 5.309 0.860 1.00 0.00 C ATOM 1928 C ASP A 111 17.039 5.525 2.172 1.00 0.00 C ATOM 1929 O ASP A 111 17.985 4.802 2.472 1.00 0.00 O ATOM 1930 CB ASP A 111 16.872 6.153 -0.278 1.00 0.00 C ATOM 1931 CG ASP A 111 18.190 5.588 -0.815 1.00 0.00 C ATOM 1932 OD1 ASP A 111 19.244 5.940 -0.250 1.00 0.00 O ATOM 1933 OD2 ASP A 111 18.167 4.849 -1.829 1.00 0.00 O ATOM 0 H ASP A 111 14.684 6.637 0.770 1.00 0.00 H new ATOM 0 HA ASP A 111 16.358 4.264 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.150 6.214 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 111 17.037 7.170 0.078 1.00 0.00 H new ATOM 1938 N GLU A 112 16.605 6.486 2.995 1.00 0.00 N ATOM 1939 CA GLU A 112 17.185 6.813 4.291 1.00 0.00 C ATOM 1940 C GLU A 112 16.080 7.143 5.299 1.00 0.00 C ATOM 1941 O GLU A 112 15.079 7.787 4.957 1.00 0.00 O ATOM 1942 CB GLU A 112 18.188 7.963 4.163 1.00 0.00 C ATOM 1943 CG GLU A 112 17.763 9.192 3.340 1.00 0.00 C ATOM 1944 CD GLU A 112 18.875 10.251 3.301 1.00 0.00 C ATOM 1945 OE1 GLU A 112 20.047 9.895 3.571 1.00 0.00 O ATOM 1946 OE2 GLU A 112 18.582 11.427 2.994 1.00 0.00 O ATOM 0 H GLU A 112 15.808 7.078 2.762 1.00 0.00 H new ATOM 0 HA GLU A 112 17.729 5.944 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.440 8.302 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.102 7.564 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.516 8.884 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.860 9.626 3.770 1.00 0.00 H new ATOM 1953 N SER A 113 16.199 6.604 6.511 1.00 0.00 N ATOM 1954 CA SER A 113 15.263 6.842 7.592 1.00 0.00 C ATOM 1955 C SER A 113 15.538 8.230 8.175 1.00 0.00 C ATOM 1956 O SER A 113 16.334 8.349 9.109 1.00 0.00 O ATOM 1957 CB SER A 113 15.454 5.748 8.641 1.00 0.00 C ATOM 1958 OG SER A 113 15.083 4.484 8.132 1.00 0.00 O ATOM 0 H SER A 113 16.964 5.980 6.767 1.00 0.00 H new ATOM 0 HA SER A 113 14.231 6.813 7.242 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.496 5.723 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 113 14.856 5.978 9.523 1.00 0.00 H new ATOM 0 HG SER A 113 14.107 4.401 8.142 1.00 0.00 H new ATOM 1964 N VAL A 114 14.782 9.252 7.766 1.00 0.00 N ATOM 1965 CA VAL A 114 14.958 10.611 8.236 1.00 0.00 C ATOM 1966 C VAL A 114 13.583 11.217 8.513 1.00 0.00 C ATOM 1967 O VAL A 114 12.688 11.148 7.667 1.00 0.00 O ATOM 1968 CB VAL A 114 15.800 11.390 7.207 1.00 0.00 C ATOM 1969 CG1 VAL A 114 17.243 10.858 7.117 1.00 0.00 C ATOM 1970 CG2 VAL A 114 15.237 11.423 5.782 1.00 0.00 C ATOM 0 H VAL A 114 14.024 9.148 7.091 1.00 0.00 H new ATOM 0 HA VAL A 114 15.509 10.653 9.176 1.00 0.00 H new ATOM 0 HB VAL A 114 15.772 12.406 7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.799 11.437 6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.726 10.950 8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.226 9.810 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 114 15.906 11.996 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.151 10.405 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 114 14.253 11.891 5.790 1.00 0.00 H new ATOM 1980 N TYR A 115 13.322 11.579 9.773 1.00 0.00 N ATOM 1981 CA TYR A 115 12.075 12.202 10.213 1.00 0.00 C ATOM 1982 C TYR A 115 12.326 13.693 10.326 1.00 0.00 C ATOM 1983 O TYR A 115 11.608 14.487 9.684 1.00 0.00 O ATOM 1984 CB TYR A 115 11.563 11.595 11.529 1.00 0.00 C ATOM 1985 CG TYR A 115 10.084 11.800 11.779 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.136 11.408 10.812 1.00 0.00 C ATOM 1987 CD2 TYR A 115 9.650 12.351 12.999 1.00 0.00 C ATOM 1988 CE1 TYR A 115 7.764 11.580 11.053 1.00 0.00 C ATOM 1989 CE2 TYR A 115 8.279 12.513 13.253 1.00 0.00 C ATOM 1990 CZ TYR A 115 7.332 12.131 12.278 1.00 0.00 C ATOM 1991 OH TYR A 115 6.010 12.323 12.521 1.00 0.00 O ATOM 0 H TYR A 115 13.990 11.443 10.532 1.00 0.00 H new ATOM 0 HA TYR A 115 11.284 12.015 9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 115 11.774 10.526 11.528 1.00 0.00 H new ATOM 0 HB3 TYR A 115 12.123 12.030 12.357 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.467 10.973 9.881 1.00 0.00 H new ATOM 0 HD2 TYR A 115 10.374 12.650 13.742 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.042 11.292 10.304 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.949 12.929 14.193 1.00 0.00 H new ATOM 0 HH TYR A 115 5.894 12.710 13.414 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -23.607 1.587 2.843 1.00 0.00 N ATOM 2003 CA GLY B 722 -24.689 1.481 1.859 1.00 0.00 C ATOM 2004 C GLY B 722 -24.207 0.664 0.677 1.00 0.00 C ATOM 2005 O GLY B 722 -23.057 0.806 0.262 1.00 0.00 O ATOM 0 HA2 GLY B 722 -25.563 1.010 2.310 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -24.996 2.474 1.530 1.00 0.00 H new ATOM 2009 N ALA B 723 -25.059 -0.226 0.165 1.00 0.00 N ATOM 2010 CA ALA B 723 -24.709 -1.072 -0.964 1.00 0.00 C ATOM 2011 C ALA B 723 -24.677 -0.252 -2.250 1.00 0.00 C ATOM 2012 O ALA B 723 -25.342 0.784 -2.345 1.00 0.00 O ATOM 2013 CB ALA B 723 -25.735 -2.200 -1.086 1.00 0.00 C ATOM 0 H ALA B 723 -26.003 -0.376 0.522 1.00 0.00 H new ATOM 0 HA ALA B 723 -23.719 -1.497 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -25.476 -2.837 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -25.734 -2.793 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -26.726 -1.775 -1.242 1.00 0.00 H new ATOM 2019 N MET B 724 -23.891 -0.691 -3.228 1.00 0.00 N ATOM 2020 CA MET B 724 -23.769 -0.040 -4.528 1.00 0.00 C ATOM 2021 C MET B 724 -24.110 -1.073 -5.596 1.00 0.00 C ATOM 2022 O MET B 724 -23.811 -2.254 -5.420 1.00 0.00 O ATOM 2023 CB MET B 724 -22.362 0.546 -4.704 1.00 0.00 C ATOM 2024 CG MET B 724 -22.136 1.727 -3.755 1.00 0.00 C ATOM 2025 SD MET B 724 -20.493 2.469 -3.899 1.00 0.00 S ATOM 2026 CE MET B 724 -20.698 3.855 -2.752 1.00 0.00 C ATOM 0 H MET B 724 -23.310 -1.525 -3.138 1.00 0.00 H new ATOM 0 HA MET B 724 -24.459 0.799 -4.614 1.00 0.00 H new ATOM 0 HB2 MET B 724 -21.616 -0.226 -4.514 1.00 0.00 H new ATOM 0 HB3 MET B 724 -22.227 0.872 -5.735 1.00 0.00 H new ATOM 0 HG2 MET B 724 -22.889 2.490 -3.953 1.00 0.00 H new ATOM 0 HG3 MET B 724 -22.285 1.391 -2.729 1.00 0.00 H new ATOM 0 HE1 MET B 724 -19.904 4.584 -2.916 1.00 0.00 H new ATOM 0 HE2 MET B 724 -21.665 4.328 -2.922 1.00 0.00 H new ATOM 0 HE3 MET B 724 -20.648 3.489 -1.726 1.00 0.00 H new ATOM 2036 N GLY B 725 -24.677 -0.641 -6.723 1.00 0.00 N ATOM 2037 CA GLY B 725 -25.044 -1.537 -7.817 1.00 0.00 C ATOM 2038 C GLY B 725 -23.873 -1.841 -8.752 1.00 0.00 C ATOM 2039 O GLY B 725 -24.052 -2.534 -9.750 1.00 0.00 O ATOM 0 H GLY B 725 -24.894 0.339 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -25.425 -2.471 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -25.855 -1.089 -8.391 1.00 0.00 H new ATOM 2043 N SER B 726 -22.678 -1.316 -8.468 1.00 0.00 N ATOM 2044 CA SER B 726 -21.507 -1.544 -9.298 1.00 0.00 C ATOM 2045 C SER B 726 -21.025 -2.956 -8.972 1.00 0.00 C ATOM 2046 O SER B 726 -20.877 -3.298 -7.795 1.00 0.00 O ATOM 2047 CB SER B 726 -20.457 -0.462 -8.990 1.00 0.00 C ATOM 2048 OG SER B 726 -19.793 -0.022 -10.160 1.00 0.00 O ATOM 0 H SER B 726 -22.502 -0.723 -7.657 1.00 0.00 H new ATOM 0 HA SER B 726 -21.715 -1.474 -10.366 1.00 0.00 H new ATOM 0 HB2 SER B 726 -20.941 0.387 -8.507 1.00 0.00 H new ATOM 0 HB3 SER B 726 -19.726 -0.856 -8.284 1.00 0.00 H new ATOM 0 HG SER B 726 -19.136 0.666 -9.924 1.00 0.00 H new ATOM 2054 N ALA B 727 -20.869 -3.795 -9.995 1.00 0.00 N ATOM 2055 CA ALA B 727 -20.412 -5.165 -9.817 1.00 0.00 C ATOM 2056 C ALA B 727 -18.891 -5.191 -9.908 1.00 0.00 C ATOM 2057 O ALA B 727 -18.229 -5.810 -9.071 1.00 0.00 O ATOM 2058 CB ALA B 727 -21.043 -6.074 -10.875 1.00 0.00 C ATOM 0 H ALA B 727 -21.056 -3.542 -10.965 1.00 0.00 H new ATOM 0 HA ALA B 727 -20.717 -5.536 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -20.693 -7.096 -10.732 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -22.128 -6.045 -10.779 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -20.757 -5.729 -11.869 1.00 0.00 H new ATOM 2064 N SER B 728 -18.336 -4.525 -10.916 1.00 0.00 N ATOM 2065 CA SER B 728 -16.908 -4.436 -11.152 1.00 0.00 C ATOM 2066 C SER B 728 -16.289 -3.647 -9.999 1.00 0.00 C ATOM 2067 O SER B 728 -16.734 -2.531 -9.704 1.00 0.00 O ATOM 2068 CB SER B 728 -16.656 -3.762 -12.510 1.00 0.00 C ATOM 2069 OG SER B 728 -17.586 -4.220 -13.482 1.00 0.00 O ATOM 0 H SER B 728 -18.888 -4.019 -11.609 1.00 0.00 H new ATOM 0 HA SER B 728 -16.448 -5.424 -11.189 1.00 0.00 H new ATOM 0 HB2 SER B 728 -16.737 -2.680 -12.404 1.00 0.00 H new ATOM 0 HB3 SER B 728 -15.640 -3.975 -12.844 1.00 0.00 H new ATOM 0 HG SER B 728 -17.409 -3.777 -14.338 1.00 0.00 H new ATOM 2075 N SER B 729 -15.368 -4.252 -9.258 1.00 0.00 N ATOM 2076 CA SER B 729 -14.690 -3.600 -8.153 1.00 0.00 C ATOM 2077 C SER B 729 -13.599 -2.675 -8.710 1.00 0.00 C ATOM 2078 O SER B 729 -13.338 -2.651 -9.916 1.00 0.00 O ATOM 2079 CB SER B 729 -14.148 -4.688 -7.225 1.00 0.00 C ATOM 2080 OG SER B 729 -13.500 -5.704 -7.970 1.00 0.00 O ATOM 0 H SER B 729 -15.071 -5.216 -9.411 1.00 0.00 H new ATOM 0 HA SER B 729 -15.363 -2.971 -7.570 1.00 0.00 H new ATOM 0 HB2 SER B 729 -13.449 -4.250 -6.513 1.00 0.00 H new ATOM 0 HB3 SER B 729 -14.965 -5.119 -6.646 1.00 0.00 H new ATOM 0 HG SER B 729 -12.690 -5.989 -7.498 1.00 0.00 H new ATOM 2086 N GLU B 730 -12.944 -1.908 -7.839 1.00 0.00 N ATOM 2087 CA GLU B 730 -11.880 -1.000 -8.244 1.00 0.00 C ATOM 2088 C GLU B 730 -10.699 -1.785 -8.837 1.00 0.00 C ATOM 2089 O GLU B 730 -10.513 -2.966 -8.522 1.00 0.00 O ATOM 2090 CB GLU B 730 -11.487 -0.119 -7.046 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.077 1.291 -7.153 1.00 0.00 C ATOM 2092 CD GLU B 730 -11.766 1.971 -8.485 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -10.593 2.314 -8.747 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -12.730 2.210 -9.250 1.00 0.00 O ATOM 0 H GLU B 730 -13.137 -1.901 -6.838 1.00 0.00 H new ATOM 0 HA GLU B 730 -12.226 -0.337 -9.037 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -11.831 -0.587 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -10.401 -0.054 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -13.158 1.237 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -11.688 1.904 -6.340 1.00 0.00 H new ATOM 2101 N ASP B 731 -9.874 -1.140 -9.662 1.00 0.00 N ATOM 2102 CA ASP B 731 -8.723 -1.727 -10.359 1.00 0.00 C ATOM 2103 C ASP B 731 -7.451 -1.044 -9.877 1.00 0.00 C ATOM 2104 O ASP B 731 -7.390 0.180 -9.965 1.00 0.00 O ATOM 2105 CB ASP B 731 -8.887 -1.508 -11.874 1.00 0.00 C ATOM 2106 CG ASP B 731 -10.224 -1.994 -12.425 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -10.501 -3.211 -12.341 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -11.018 -1.170 -12.937 1.00 0.00 O ATOM 0 H ASP B 731 -9.993 -0.149 -9.874 1.00 0.00 H new ATOM 0 HA ASP B 731 -8.664 -2.795 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -8.779 -0.445 -12.092 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -8.081 -2.024 -12.396 1.00 0.00 H new ATOM 2113 N TYR B 732 -6.465 -1.798 -9.372 1.00 0.00 N ATOM 2114 CA TYR B 732 -5.187 -1.300 -8.839 1.00 0.00 C ATOM 2115 C TYR B 732 -4.003 -2.120 -9.331 1.00 0.00 C ATOM 2116 O TYR B 732 -4.201 -3.085 -10.078 1.00 0.00 O ATOM 2117 CB TYR B 732 -5.238 -1.377 -7.301 1.00 0.00 C ATOM 2118 CG TYR B 732 -6.306 -0.534 -6.651 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -6.635 0.721 -7.197 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -6.977 -1.008 -5.508 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -7.690 1.466 -6.673 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -8.012 -0.241 -4.953 1.00 0.00 C ATOM 2123 CZ TYR B 732 -8.377 0.983 -5.550 1.00 0.00 C ATOM 2124 OH TYR B 732 -9.419 1.675 -5.055 1.00 0.00 O ATOM 0 H TYR B 732 -6.538 -2.814 -9.321 1.00 0.00 H new ATOM 0 HA TYR B 732 -5.050 -0.275 -9.185 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -5.391 -2.416 -7.010 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -4.268 -1.075 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -6.066 1.110 -8.028 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -6.698 -1.952 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -7.975 2.404 -7.126 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -8.528 -0.587 -4.070 1.00 0.00 H new ATOM 0 HH TYR B 732 -9.178 2.622 -4.983 1.00 0.00 H new ATOM 2134 N ILE B 733 -2.786 -1.774 -8.883 1.00 0.00 N ATOM 2135 CA ILE B 733 -1.602 -2.515 -9.290 1.00 0.00 C ATOM 2136 C ILE B 733 -1.527 -3.698 -8.324 1.00 0.00 C ATOM 2137 O ILE B 733 -1.186 -3.578 -7.143 1.00 0.00 O ATOM 2138 CB ILE B 733 -0.333 -1.642 -9.332 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -0.358 -0.572 -10.446 1.00 0.00 C ATOM 2140 CG2 ILE B 733 0.890 -2.541 -9.608 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -1.308 0.605 -10.226 1.00 0.00 C ATOM 0 H ILE B 733 -2.606 -0.996 -8.248 1.00 0.00 H new ATOM 0 HA ILE B 733 -1.670 -2.867 -10.319 1.00 0.00 H new ATOM 0 HB ILE B 733 -0.281 -1.137 -8.367 1.00 0.00 H new ATOM 0 HG12 ILE B 733 0.652 -0.180 -10.568 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -0.626 -1.059 -11.384 1.00 0.00 H new ATOM 0 HG21 ILE B 733 1.792 -1.929 -9.639 1.00 0.00 H new ATOM 0 HG22 ILE B 733 0.982 -3.283 -8.815 1.00 0.00 H new ATOM 0 HG23 ILE B 733 0.761 -3.046 -10.565 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -1.240 1.290 -11.071 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -2.330 0.236 -10.139 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -1.032 1.129 -9.311 1.00 0.00 H new ATOM 2153 N ILE B 734 -1.962 -4.850 -8.818 1.00 0.00 N ATOM 2154 CA ILE B 734 -1.967 -6.077 -8.052 1.00 0.00 C ATOM 2155 C ILE B 734 -0.519 -6.587 -8.032 1.00 0.00 C ATOM 2156 O ILE B 734 0.179 -6.508 -9.043 1.00 0.00 O ATOM 2157 CB ILE B 734 -2.969 -7.075 -8.679 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -4.312 -6.467 -9.166 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -3.265 -8.179 -7.667 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -5.081 -5.592 -8.168 1.00 0.00 C ATOM 0 H ILE B 734 -2.322 -4.954 -9.767 1.00 0.00 H new ATOM 0 HA ILE B 734 -2.300 -5.933 -7.024 1.00 0.00 H new ATOM 0 HB ILE B 734 -2.479 -7.449 -9.578 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -4.111 -5.870 -10.056 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -4.964 -7.286 -9.472 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -3.971 -8.889 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -2.340 -8.696 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -3.696 -7.741 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -5.999 -5.231 -8.632 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -5.329 -6.180 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -4.463 -4.743 -7.877 1.00 0.00 H new ATOM 2172 N ILE B 735 -0.053 -7.084 -6.889 1.00 0.00 N ATOM 2173 CA ILE B 735 1.285 -7.619 -6.671 1.00 0.00 C ATOM 2174 C ILE B 735 1.036 -8.956 -5.982 1.00 0.00 C ATOM 2175 O ILE B 735 0.562 -8.982 -4.847 1.00 0.00 O ATOM 2176 CB ILE B 735 2.146 -6.635 -5.838 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.308 -5.285 -6.575 1.00 0.00 C ATOM 2178 CG2 ILE B 735 3.521 -7.264 -5.526 1.00 0.00 C ATOM 2179 CD1 ILE B 735 3.163 -4.246 -5.843 1.00 0.00 C ATOM 0 H ILE B 735 -0.629 -7.126 -6.048 1.00 0.00 H new ATOM 0 HA ILE B 735 1.859 -7.755 -7.587 1.00 0.00 H new ATOM 0 HB ILE B 735 1.635 -6.438 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.750 -5.473 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE B 735 1.319 -4.862 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE B 735 4.117 -6.564 -4.941 1.00 0.00 H new ATOM 0 HG22 ILE B 735 3.380 -8.184 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE B 735 4.038 -7.489 -6.459 1.00 0.00 H new ATOM 0 HD11 ILE B 735 3.217 -3.335 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE B 735 2.714 -4.021 -4.876 1.00 0.00 H new ATOM 0 HD13 ILE B 735 4.167 -4.642 -5.693 1.00 0.00 H new ATOM 2191 N LEU B 736 1.294 -10.066 -6.671 1.00 0.00 N ATOM 2192 CA LEU B 736 1.081 -11.406 -6.140 1.00 0.00 C ATOM 2193 C LEU B 736 1.946 -12.420 -6.900 1.00 0.00 C ATOM 2194 O LEU B 736 2.351 -12.132 -8.030 1.00 0.00 O ATOM 2195 CB LEU B 736 -0.423 -11.759 -6.150 1.00 0.00 C ATOM 2196 CG LEU B 736 -1.267 -11.360 -7.372 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -1.006 -12.249 -8.580 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -2.747 -11.436 -6.985 1.00 0.00 C ATOM 0 H LEU B 736 1.660 -10.058 -7.623 1.00 0.00 H new ATOM 0 HA LEU B 736 1.398 -11.442 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU B 736 -0.510 -12.838 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -0.876 -11.300 -5.271 1.00 0.00 H new ATOM 0 HG LEU B 736 -0.988 -10.347 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -1.628 -11.922 -9.413 1.00 0.00 H new ATOM 0 HD12 LEU B 736 0.044 -12.180 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -1.247 -13.282 -8.330 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -3.362 -11.156 -7.841 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -2.992 -12.453 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -2.943 -10.753 -6.159 1.00 0.00 H new ATOM 2210 N PRO B 737 2.269 -13.573 -6.283 1.00 0.00 N ATOM 2211 CA PRO B 737 3.085 -14.617 -6.896 1.00 0.00 C ATOM 2212 C PRO B 737 2.415 -15.264 -8.118 1.00 0.00 C ATOM 2213 O PRO B 737 1.304 -14.914 -8.520 1.00 0.00 O ATOM 2214 CB PRO B 737 3.360 -15.626 -5.770 1.00 0.00 C ATOM 2215 CG PRO B 737 2.156 -15.472 -4.854 1.00 0.00 C ATOM 2216 CD PRO B 737 1.849 -13.986 -4.947 1.00 0.00 C ATOM 0 HA PRO B 737 4.010 -14.206 -7.301 1.00 0.00 H new ATOM 0 HB2 PRO B 737 3.445 -16.643 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO B 737 4.291 -15.403 -5.250 1.00 0.00 H new ATOM 0 HG2 PRO B 737 1.315 -16.080 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO B 737 2.384 -15.775 -3.832 1.00 0.00 H new ATOM 0 HD2 PRO B 737 0.786 -13.797 -4.796 1.00 0.00 H new ATOM 0 HD3 PRO B 737 2.385 -13.428 -4.179 1.00 0.00 H new ATOM 2224 N GLU B 738 3.099 -16.236 -8.717 1.00 0.00 N ATOM 2225 CA GLU B 738 2.656 -16.984 -9.895 1.00 0.00 C ATOM 2226 C GLU B 738 2.459 -18.474 -9.585 1.00 0.00 C ATOM 2227 O GLU B 738 2.592 -19.332 -10.460 1.00 0.00 O ATOM 2228 CB GLU B 738 3.631 -16.722 -11.050 1.00 0.00 C ATOM 2229 CG GLU B 738 5.060 -17.228 -10.797 1.00 0.00 C ATOM 2230 CD GLU B 738 5.964 -16.831 -11.956 1.00 0.00 C ATOM 2231 OE1 GLU B 738 6.034 -17.567 -12.961 1.00 0.00 O ATOM 2232 OE2 GLU B 738 6.599 -15.752 -11.889 1.00 0.00 O ATOM 0 H GLU B 738 4.014 -16.538 -8.383 1.00 0.00 H new ATOM 0 HA GLU B 738 1.671 -16.632 -10.203 1.00 0.00 H new ATOM 0 HB2 GLU B 738 3.244 -17.197 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU B 738 3.666 -15.650 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU B 738 5.443 -16.810 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU B 738 5.056 -18.312 -10.682 1.00 0.00 H new ATOM 2239 N SER B 739 2.247 -18.824 -8.317 1.00 0.00 N ATOM 2240 CA SER B 739 2.026 -20.181 -7.846 1.00 0.00 C ATOM 2241 C SER B 739 1.179 -20.075 -6.591 1.00 0.00 C ATOM 2242 O SER B 739 1.302 -19.060 -5.878 1.00 0.00 O ATOM 2243 CB SER B 739 3.361 -20.877 -7.566 1.00 0.00 C ATOM 2244 OG SER B 739 4.180 -20.802 -8.723 1.00 0.00 O ATOM 0 H SER B 739 2.225 -18.138 -7.563 1.00 0.00 H new ATOM 0 HA SER B 739 1.515 -20.783 -8.598 1.00 0.00 H new ATOM 0 HB2 SER B 739 3.861 -20.404 -6.721 1.00 0.00 H new ATOM 0 HB3 SER B 739 3.191 -21.919 -7.293 1.00 0.00 H new ATOM 0 HG SER B 739 5.036 -21.245 -8.547 1.00 0.00 H new TER 2250 SER B 739