USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 102 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= -0.123 (180deg=-0.125) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.367 (180deg=-0.936) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.855 K(o=-0.85,f=-5.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= -8.5! (180deg=-8.5!) USER MOD Single : A 36 TYR OH : rot -140:sc= 0.0379 USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= -0.0493 (180deg=-0.455) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= 0.31 (180deg=0.245) USER MOD Single : A 40 SER OG : rot 180:sc= -0.176 USER MOD Single : A 42 ASN : amide:sc= -0.145 K(o=-0.15,f=-0.79) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -169:sc= 0 (180deg=-0.0183) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -100:sc= -0.958 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 98:sc= -8.91! USER MOD Single : A 60 GLN : amide:sc= -0.0792 K(o=-0.079,f=-2.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.284 USER MOD Single : A 74 THR OG1 : rot 29:sc= 0.292 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 77 GLN : amide:sc= 0.0374 X(o=0.037,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.73) USER MOD Single : A 82 GLN : amide:sc= -3.13 K(o=-3.1,f=-5.2!) USER MOD Single : A 97 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.7!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.129 8.687 4.639 1.00 0.00 N ATOM 72 CA ARG A 5 -7.592 7.437 4.030 1.00 0.00 C ATOM 73 C ARG A 5 -7.451 6.368 5.115 1.00 0.00 C ATOM 74 O ARG A 5 -7.236 6.672 6.272 1.00 0.00 O ATOM 75 CB ARG A 5 -6.221 7.717 3.408 1.00 0.00 C ATOM 76 CG ARG A 5 -6.299 8.975 2.541 1.00 0.00 C ATOM 77 CD ARG A 5 -5.596 10.131 3.255 1.00 0.00 C ATOM 78 NE ARG A 5 -5.221 11.175 2.261 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.048 12.409 2.649 1.00 0.00 C ATOM 80 NH1 ARG A 5 -6.075 13.134 2.997 1.00 0.00 N ATOM 81 NH2 ARG A 5 -3.847 12.917 2.688 1.00 0.00 N ATOM 0 HA ARG A 5 -8.274 7.086 3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.475 7.849 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.903 6.866 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.831 8.792 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.340 9.232 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.252 10.556 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.706 9.767 3.769 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.100 10.926 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.014 12.737 2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.939 14.098 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.044 12.350 2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.711 13.881 2.991 1.00 0.00 H new ATOM 95 N ILE A 6 -7.570 5.120 4.754 1.00 0.00 N ATOM 96 CA ILE A 6 -7.444 4.040 5.772 1.00 0.00 C ATOM 97 C ILE A 6 -6.098 4.167 6.488 1.00 0.00 C ATOM 98 O ILE A 6 -6.035 4.227 7.700 1.00 0.00 O ATOM 99 CB ILE A 6 -7.532 2.673 5.090 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.956 2.455 4.574 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.180 1.576 6.097 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.908 2.280 5.759 1.00 0.00 C ATOM 0 H ILE A 6 -7.748 4.802 3.801 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.253 4.133 6.497 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.832 2.636 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.268 3.304 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.991 1.574 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.243 0.602 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.166 1.733 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.880 1.611 6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.922 2.125 5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.600 1.417 6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.881 3.174 6.382 1.00 0.00 H new ATOM 114 N ARG A 7 -5.019 4.210 5.754 1.00 0.00 N ATOM 115 CA ARG A 7 -3.686 4.334 6.410 1.00 0.00 C ATOM 116 C ARG A 7 -2.777 5.250 5.590 1.00 0.00 C ATOM 117 O ARG A 7 -2.309 4.889 4.532 1.00 0.00 O ATOM 118 CB ARG A 7 -3.040 2.954 6.525 1.00 0.00 C ATOM 119 CG ARG A 7 -1.641 3.096 7.121 1.00 0.00 C ATOM 120 CD ARG A 7 -1.713 2.868 8.626 1.00 0.00 C ATOM 121 NE ARG A 7 -1.967 4.164 9.315 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.167 4.569 10.263 1.00 0.00 C ATOM 123 NH1 ARG A 7 -0.902 3.784 11.272 1.00 0.00 N ATOM 124 NH2 ARG A 7 -0.632 5.757 10.203 1.00 0.00 N ATOM 0 H ARG A 7 -5.002 4.165 4.735 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.822 4.761 7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.651 2.306 7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.983 2.484 5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.963 2.375 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.242 4.088 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.507 2.159 8.859 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.780 2.431 8.983 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.767 4.736 9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.320 2.855 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.277 4.100 12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.839 6.370 9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.007 6.073 10.944 1.00 0.00 H new ATOM 138 N GLU A 8 -2.504 6.429 6.078 1.00 0.00 N ATOM 139 CA GLU A 8 -1.604 7.349 5.326 1.00 0.00 C ATOM 140 C GLU A 8 -0.390 7.678 6.188 1.00 0.00 C ATOM 141 O GLU A 8 -0.510 8.034 7.343 1.00 0.00 O ATOM 142 CB GLU A 8 -2.332 8.643 4.967 1.00 0.00 C ATOM 143 CG GLU A 8 -3.011 9.224 6.209 1.00 0.00 C ATOM 144 CD GLU A 8 -2.380 10.575 6.554 1.00 0.00 C ATOM 145 OE1 GLU A 8 -1.248 10.578 7.011 1.00 0.00 O ATOM 146 OE2 GLU A 8 -3.040 11.581 6.357 1.00 0.00 O ATOM 0 H GLU A 8 -2.863 6.794 6.960 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.290 6.857 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.626 9.365 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.075 8.449 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.079 9.345 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.906 8.537 7.049 1.00 0.00 H new ATOM 153 N GLY A 9 0.778 7.562 5.632 1.00 0.00 N ATOM 154 CA GLY A 9 2.006 7.866 6.404 1.00 0.00 C ATOM 155 C GLY A 9 3.156 8.101 5.431 1.00 0.00 C ATOM 156 O GLY A 9 2.962 8.561 4.324 1.00 0.00 O ATOM 0 H GLY A 9 0.935 7.267 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.852 8.748 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.243 7.041 7.075 1.00 0.00 H new ATOM 160 N TYR A 10 4.347 7.784 5.831 1.00 0.00 N ATOM 161 CA TYR A 10 5.512 7.989 4.928 1.00 0.00 C ATOM 162 C TYR A 10 6.460 6.791 5.010 1.00 0.00 C ATOM 163 O TYR A 10 7.318 6.722 5.868 1.00 0.00 O ATOM 164 CB TYR A 10 6.261 9.257 5.345 1.00 0.00 C ATOM 165 CG TYR A 10 6.659 9.153 6.797 1.00 0.00 C ATOM 166 CD1 TYR A 10 5.702 9.352 7.801 1.00 0.00 C ATOM 167 CD2 TYR A 10 7.984 8.858 7.141 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.070 9.257 9.149 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.353 8.762 8.490 1.00 0.00 C ATOM 170 CZ TYR A 10 7.396 8.962 9.494 1.00 0.00 C ATOM 171 OH TYR A 10 7.759 8.867 10.822 1.00 0.00 O ATOM 0 H TYR A 10 4.569 7.391 6.745 1.00 0.00 H new ATOM 0 HA TYR A 10 5.154 8.090 3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.146 9.390 4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.629 10.132 5.192 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.680 9.579 7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.722 8.704 6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.332 9.411 9.922 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.375 8.534 8.756 1.00 0.00 H new ATOM 0 HH TYR A 10 8.714 8.655 10.886 1.00 0.00 H new ATOM 181 N LEU A 11 6.327 5.859 4.108 1.00 0.00 N ATOM 182 CA LEU A 11 7.236 4.679 4.115 1.00 0.00 C ATOM 183 C LEU A 11 8.084 4.732 2.845 1.00 0.00 C ATOM 184 O LEU A 11 7.830 5.523 1.966 1.00 0.00 O ATOM 185 CB LEU A 11 6.422 3.376 4.138 1.00 0.00 C ATOM 186 CG LEU A 11 5.343 3.428 5.231 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.871 4.154 6.469 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.112 4.156 4.689 1.00 0.00 C ATOM 0 H LEU A 11 5.628 5.863 3.366 1.00 0.00 H new ATOM 0 HA LEU A 11 7.868 4.702 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.955 3.216 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.086 2.530 4.315 1.00 0.00 H new ATOM 0 HG LEU A 11 5.074 2.411 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.094 4.182 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.742 3.626 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.153 5.172 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.343 4.195 5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.387 5.170 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.727 3.622 3.820 1.00 0.00 H new ATOM 200 N VAL A 12 9.090 3.912 2.735 1.00 0.00 N ATOM 201 CA VAL A 12 9.938 3.952 1.506 1.00 0.00 C ATOM 202 C VAL A 12 9.464 2.879 0.519 1.00 0.00 C ATOM 203 O VAL A 12 8.797 1.935 0.884 1.00 0.00 O ATOM 204 CB VAL A 12 11.409 3.722 1.887 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.494 2.708 3.027 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.190 3.192 0.679 1.00 0.00 C ATOM 0 H VAL A 12 9.363 3.221 3.434 1.00 0.00 H new ATOM 0 HA VAL A 12 9.849 4.929 1.030 1.00 0.00 H new ATOM 0 HB VAL A 12 11.841 4.670 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.539 2.548 3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.952 3.088 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.052 1.764 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.231 3.033 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.755 2.249 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.141 3.917 -0.133 1.00 0.00 H new ATOM 216 N LYS A 13 9.803 3.026 -0.733 1.00 0.00 N ATOM 217 CA LYS A 13 9.370 2.021 -1.745 1.00 0.00 C ATOM 218 C LYS A 13 10.421 1.922 -2.852 1.00 0.00 C ATOM 219 O LYS A 13 10.848 2.916 -3.407 1.00 0.00 O ATOM 220 CB LYS A 13 8.032 2.453 -2.349 1.00 0.00 C ATOM 221 CG LYS A 13 7.183 1.216 -2.648 1.00 0.00 C ATOM 222 CD LYS A 13 5.709 1.616 -2.732 1.00 0.00 C ATOM 223 CE LYS A 13 4.888 0.746 -1.779 1.00 0.00 C ATOM 224 NZ LYS A 13 3.485 0.660 -2.271 1.00 0.00 N ATOM 0 H LYS A 13 10.361 3.798 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 13 9.257 1.048 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.505 3.111 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.201 3.021 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.501 0.762 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.324 0.468 -1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.592 2.668 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.347 1.497 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.323 -0.251 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.907 1.169 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.910 0.125 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.095 1.618 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.469 0.176 -3.191 1.00 0.00 H new ATOM 238 N LYS A 14 10.838 0.730 -3.180 1.00 0.00 N ATOM 239 CA LYS A 14 11.858 0.567 -4.254 1.00 0.00 C ATOM 240 C LYS A 14 11.416 1.342 -5.497 1.00 0.00 C ATOM 241 O LYS A 14 10.238 1.519 -5.742 1.00 0.00 O ATOM 242 CB LYS A 14 12.000 -0.916 -4.601 1.00 0.00 C ATOM 243 CG LYS A 14 13.482 -1.273 -4.724 1.00 0.00 C ATOM 244 CD LYS A 14 13.632 -2.789 -4.866 1.00 0.00 C ATOM 245 CE LYS A 14 13.809 -3.150 -6.342 1.00 0.00 C ATOM 246 NZ LYS A 14 12.586 -2.759 -7.098 1.00 0.00 N ATOM 0 H LYS A 14 10.517 -0.138 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 14 12.817 0.952 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.531 -1.527 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.484 -1.132 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.917 -0.771 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.025 -0.924 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.491 -3.135 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.753 -3.291 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.681 -2.639 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.988 -4.220 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.616 -3.181 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.743 -3.100 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.545 -1.723 -7.180 1.00 0.00 H new ATOM 260 N GLY A 15 12.348 1.807 -6.284 1.00 0.00 N ATOM 261 CA GLY A 15 11.977 2.570 -7.509 1.00 0.00 C ATOM 262 C GLY A 15 12.303 1.738 -8.750 1.00 0.00 C ATOM 263 O GLY A 15 12.086 0.543 -8.783 1.00 0.00 O ATOM 0 H GLY A 15 13.350 1.691 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.915 2.813 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.520 3.515 -7.539 1.00 0.00 H new ATOM 267 N SER A 16 12.821 2.362 -9.773 1.00 0.00 N ATOM 268 CA SER A 16 13.160 1.607 -11.013 1.00 0.00 C ATOM 269 C SER A 16 14.504 2.095 -11.557 1.00 0.00 C ATOM 270 O SER A 16 14.645 2.373 -12.731 1.00 0.00 O ATOM 271 CB SER A 16 12.072 1.836 -12.061 1.00 0.00 C ATOM 272 OG SER A 16 11.060 2.671 -11.513 1.00 0.00 O ATOM 0 H SER A 16 13.024 3.361 -9.804 1.00 0.00 H new ATOM 0 HA SER A 16 13.226 0.543 -10.784 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.499 2.299 -12.950 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.644 0.883 -12.372 1.00 0.00 H new ATOM 0 HG SER A 16 10.361 2.821 -12.184 1.00 0.00 H new ATOM 278 N VAL A 17 15.494 2.201 -10.712 1.00 0.00 N ATOM 279 CA VAL A 17 16.827 2.672 -11.183 1.00 0.00 C ATOM 280 C VAL A 17 17.914 2.143 -10.245 1.00 0.00 C ATOM 281 O VAL A 17 18.037 2.575 -9.116 1.00 0.00 O ATOM 282 CB VAL A 17 16.856 4.201 -11.186 1.00 0.00 C ATOM 283 CG1 VAL A 17 16.638 4.719 -9.764 1.00 0.00 C ATOM 284 CG2 VAL A 17 18.215 4.682 -11.700 1.00 0.00 C ATOM 0 H VAL A 17 15.437 1.982 -9.717 1.00 0.00 H new ATOM 0 HA VAL A 17 17.007 2.304 -12.193 1.00 0.00 H new ATOM 0 HB VAL A 17 16.066 4.578 -11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.659 5.809 -9.767 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.671 4.375 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.428 4.343 -9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.238 5.772 -11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.004 4.304 -11.050 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.372 4.313 -12.714 1.00 0.00 H new ATOM 294 N PHE A 18 18.704 1.210 -10.703 1.00 0.00 N ATOM 295 CA PHE A 18 19.782 0.656 -9.837 1.00 0.00 C ATOM 296 C PHE A 18 19.164 0.066 -8.568 1.00 0.00 C ATOM 297 O PHE A 18 19.822 -0.079 -7.556 1.00 0.00 O ATOM 298 CB PHE A 18 20.756 1.773 -9.458 1.00 0.00 C ATOM 299 CG PHE A 18 21.776 1.948 -10.558 1.00 0.00 C ATOM 300 CD1 PHE A 18 22.868 1.073 -10.646 1.00 0.00 C ATOM 301 CD2 PHE A 18 21.631 2.984 -11.490 1.00 0.00 C ATOM 302 CE1 PHE A 18 23.814 1.235 -11.668 1.00 0.00 C ATOM 303 CE2 PHE A 18 22.579 3.146 -12.512 1.00 0.00 C ATOM 304 CZ PHE A 18 23.669 2.271 -12.600 1.00 0.00 C ATOM 0 H PHE A 18 18.649 0.808 -11.639 1.00 0.00 H new ATOM 0 HA PHE A 18 20.317 -0.125 -10.377 1.00 0.00 H new ATOM 0 HB2 PHE A 18 20.213 2.705 -9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 18 21.255 1.531 -8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 18 22.980 0.275 -9.927 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.790 3.658 -11.422 1.00 0.00 H new ATOM 0 HE1 PHE A 18 24.655 0.561 -11.737 1.00 0.00 H new ATOM 0 HE2 PHE A 18 22.468 3.945 -13.230 1.00 0.00 H new ATOM 0 HZ PHE A 18 24.398 2.395 -13.387 1.00 0.00 H new ATOM 314 N ASN A 19 17.905 -0.274 -8.611 1.00 0.00 N ATOM 315 CA ASN A 19 17.247 -0.854 -7.406 1.00 0.00 C ATOM 316 C ASN A 19 17.608 -0.017 -6.177 1.00 0.00 C ATOM 317 O ASN A 19 18.633 -0.220 -5.556 1.00 0.00 O ATOM 318 CB ASN A 19 17.728 -2.292 -7.204 1.00 0.00 C ATOM 319 CG ASN A 19 17.527 -3.084 -8.496 1.00 0.00 C ATOM 320 OD1 ASN A 19 17.109 -2.540 -9.497 1.00 0.00 O ATOM 321 ND2 ASN A 19 17.808 -4.359 -8.515 1.00 0.00 N ATOM 0 H ASN A 19 17.303 -0.175 -9.429 1.00 0.00 H new ATOM 0 HA ASN A 19 16.166 -0.850 -7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.781 -2.298 -6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.176 -2.760 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.676 -4.898 -9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.159 -4.816 -7.674 1.00 0.00 H new ATOM 328 N THR A 20 16.775 0.922 -5.822 1.00 0.00 N ATOM 329 CA THR A 20 17.074 1.770 -4.635 1.00 0.00 C ATOM 330 C THR A 20 15.898 1.718 -3.658 1.00 0.00 C ATOM 331 O THR A 20 14.912 1.047 -3.892 1.00 0.00 O ATOM 332 CB THR A 20 17.301 3.216 -5.083 1.00 0.00 C ATOM 333 OG1 THR A 20 16.388 3.534 -6.125 1.00 0.00 O ATOM 334 CG2 THR A 20 18.735 3.374 -5.591 1.00 0.00 C ATOM 0 H THR A 20 15.901 1.138 -6.302 1.00 0.00 H new ATOM 0 HA THR A 20 17.972 1.397 -4.142 1.00 0.00 H new ATOM 0 HB THR A 20 17.141 3.889 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.530 4.460 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.897 4.404 -5.910 1.00 0.00 H new ATOM 0 HG22 THR A 20 19.434 3.128 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 20 18.898 2.703 -6.434 1.00 0.00 H new ATOM 342 N TRP A 21 15.995 2.423 -2.565 1.00 0.00 N ATOM 343 CA TRP A 21 14.886 2.419 -1.570 1.00 0.00 C ATOM 344 C TRP A 21 14.777 3.806 -0.932 1.00 0.00 C ATOM 345 O TRP A 21 15.382 4.080 0.085 1.00 0.00 O ATOM 346 CB TRP A 21 15.179 1.375 -0.488 1.00 0.00 C ATOM 347 CG TRP A 21 14.769 0.022 -0.976 1.00 0.00 C ATOM 348 CD1 TRP A 21 15.515 -0.779 -1.773 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.532 -0.701 -0.716 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.813 -1.945 -2.021 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.586 -1.945 -1.390 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.380 -0.401 0.033 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.533 -2.858 -1.324 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.318 -1.318 0.102 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.395 -2.542 -0.575 1.00 0.00 C ATOM 0 H TRP A 21 16.797 3.003 -2.317 1.00 0.00 H new ATOM 0 HA TRP A 21 13.947 2.172 -2.065 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.241 1.378 -0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.640 1.622 0.426 1.00 0.00 H new ATOM 0 HD1 TRP A 21 16.498 -0.546 -2.153 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.160 -2.710 -2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.311 0.540 0.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.596 -3.801 -1.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.438 -1.078 0.680 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.575 -3.242 -0.518 1.00 0.00 H new ATOM 366 N LYS A 22 14.015 4.687 -1.524 1.00 0.00 N ATOM 367 CA LYS A 22 13.878 6.058 -0.954 1.00 0.00 C ATOM 368 C LYS A 22 12.483 6.224 -0.330 1.00 0.00 C ATOM 369 O LYS A 22 11.504 5.763 -0.884 1.00 0.00 O ATOM 370 CB LYS A 22 14.064 7.091 -2.067 1.00 0.00 C ATOM 371 CG LYS A 22 15.094 6.574 -3.075 1.00 0.00 C ATOM 372 CD LYS A 22 15.533 7.720 -3.989 1.00 0.00 C ATOM 373 CE LYS A 22 16.800 7.312 -4.743 1.00 0.00 C ATOM 374 NZ LYS A 22 17.990 7.543 -3.878 1.00 0.00 N ATOM 0 H LYS A 22 13.482 4.516 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 22 14.636 6.207 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.113 7.279 -2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.396 8.040 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.956 6.162 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.665 5.766 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.738 7.962 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.720 8.618 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.743 6.262 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.889 7.888 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.851 7.266 -4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.046 8.551 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.905 6.974 -3.011 1.00 0.00 H new ATOM 388 N PRO A 23 12.434 6.879 0.806 1.00 0.00 N ATOM 389 CA PRO A 23 11.178 7.112 1.509 1.00 0.00 C ATOM 390 C PRO A 23 10.141 7.739 0.568 1.00 0.00 C ATOM 391 O PRO A 23 10.461 8.186 -0.516 1.00 0.00 O ATOM 392 CB PRO A 23 11.539 8.085 2.627 1.00 0.00 C ATOM 393 CG PRO A 23 13.062 7.833 2.854 1.00 0.00 C ATOM 394 CD PRO A 23 13.630 7.427 1.467 1.00 0.00 C ATOM 0 HA PRO A 23 10.738 6.189 1.886 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.342 9.118 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.961 7.890 3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.555 8.728 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.223 7.045 3.590 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.042 8.280 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.427 6.688 1.551 1.00 0.00 H new ATOM 402 N MET A 24 8.902 7.781 0.980 1.00 0.00 N ATOM 403 CA MET A 24 7.842 8.381 0.125 1.00 0.00 C ATOM 404 C MET A 24 6.522 8.416 0.898 1.00 0.00 C ATOM 405 O MET A 24 6.323 7.675 1.842 1.00 0.00 O ATOM 406 CB MET A 24 7.665 7.552 -1.149 1.00 0.00 C ATOM 407 CG MET A 24 6.920 6.254 -0.838 1.00 0.00 C ATOM 408 SD MET A 24 6.948 5.177 -2.294 1.00 0.00 S ATOM 409 CE MET A 24 5.753 6.100 -3.295 1.00 0.00 C ATOM 0 H MET A 24 8.579 7.422 1.879 1.00 0.00 H new ATOM 0 HA MET A 24 8.135 9.395 -0.147 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.112 8.127 -1.892 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.639 7.325 -1.582 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.385 5.750 0.009 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.891 6.472 -0.554 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.619 5.600 -4.254 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.798 6.145 -2.772 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.123 7.112 -3.462 1.00 0.00 H new ATOM 419 N TRP A 25 5.619 9.268 0.501 1.00 0.00 N ATOM 420 CA TRP A 25 4.312 9.349 1.208 1.00 0.00 C ATOM 421 C TRP A 25 3.337 8.384 0.558 1.00 0.00 C ATOM 422 O TRP A 25 3.397 8.130 -0.629 1.00 0.00 O ATOM 423 CB TRP A 25 3.763 10.771 1.117 1.00 0.00 C ATOM 424 CG TRP A 25 2.491 10.867 1.897 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.247 10.834 1.365 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.317 11.008 3.336 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.322 10.957 2.387 1.00 0.00 N ATOM 428 CE2 TRP A 25 0.933 11.065 3.620 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.221 11.095 4.411 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.460 11.204 4.929 1.00 0.00 C ATOM 431 CZ3 TRP A 25 2.751 11.233 5.728 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.373 11.287 5.986 1.00 0.00 C ATOM 0 H TRP A 25 5.730 9.912 -0.283 1.00 0.00 H new ATOM 0 HA TRP A 25 4.447 9.086 2.257 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.494 11.480 1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.584 11.037 0.075 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.014 10.729 0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.688 10.967 2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.284 11.055 4.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.602 11.247 5.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.454 11.298 6.545 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.017 11.393 7.000 1.00 0.00 H new ATOM 443 N VAL A 26 2.452 7.822 1.325 1.00 0.00 N ATOM 444 CA VAL A 26 1.499 6.854 0.736 1.00 0.00 C ATOM 445 C VAL A 26 0.183 6.843 1.523 1.00 0.00 C ATOM 446 O VAL A 26 0.169 6.790 2.737 1.00 0.00 O ATOM 447 CB VAL A 26 2.164 5.475 0.748 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.000 5.321 2.016 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.105 4.368 0.688 1.00 0.00 C ATOM 0 H VAL A 26 2.348 7.990 2.326 1.00 0.00 H new ATOM 0 HA VAL A 26 1.254 7.137 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 26 2.809 5.388 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.473 4.339 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.768 6.094 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.357 5.420 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.595 3.395 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.444 4.450 1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.522 4.472 -0.227 1.00 0.00 H new ATOM 459 N VAL A 27 -0.924 6.883 0.827 1.00 0.00 N ATOM 460 CA VAL A 27 -2.248 6.864 1.512 1.00 0.00 C ATOM 461 C VAL A 27 -3.086 5.719 0.942 1.00 0.00 C ATOM 462 O VAL A 27 -3.623 5.812 -0.144 1.00 0.00 O ATOM 463 CB VAL A 27 -2.979 8.184 1.261 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.328 9.300 2.078 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.898 8.531 -0.225 1.00 0.00 C ATOM 0 H VAL A 27 -0.966 6.928 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.100 6.728 2.583 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.022 8.081 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.852 10.238 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.383 9.054 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.284 9.405 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.418 9.471 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.853 8.631 -0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.365 7.738 -0.810 1.00 0.00 H new ATOM 475 N LEU A 28 -3.202 4.639 1.660 1.00 0.00 N ATOM 476 CA LEU A 28 -4.007 3.499 1.145 1.00 0.00 C ATOM 477 C LEU A 28 -5.473 3.690 1.531 1.00 0.00 C ATOM 478 O LEU A 28 -5.847 3.568 2.681 1.00 0.00 O ATOM 479 CB LEU A 28 -3.488 2.186 1.734 1.00 0.00 C ATOM 480 CG LEU A 28 -3.291 2.331 3.244 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.079 1.233 3.961 1.00 0.00 C ATOM 482 CD2 LEU A 28 -1.802 2.187 3.571 1.00 0.00 C ATOM 0 H LEU A 28 -2.777 4.496 2.576 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.920 3.463 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.193 1.381 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.545 1.913 1.261 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.645 3.308 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.942 1.331 5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.138 1.328 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.719 0.256 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.654 2.289 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.452 1.207 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.239 2.962 3.052 1.00 0.00 H new ATOM 494 N LEU A 29 -6.305 3.987 0.571 1.00 0.00 N ATOM 495 CA LEU A 29 -7.751 4.183 0.862 1.00 0.00 C ATOM 496 C LEU A 29 -8.480 2.845 0.712 1.00 0.00 C ATOM 497 O LEU A 29 -7.961 1.904 0.144 1.00 0.00 O ATOM 498 CB LEU A 29 -8.330 5.206 -0.119 1.00 0.00 C ATOM 499 CG LEU A 29 -7.446 6.456 -0.131 1.00 0.00 C ATOM 500 CD1 LEU A 29 -6.576 6.457 -1.389 1.00 0.00 C ATOM 501 CD2 LEU A 29 -8.330 7.705 -0.128 1.00 0.00 C ATOM 0 H LEU A 29 -6.043 4.103 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.879 4.551 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.385 4.776 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.347 5.469 0.171 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.808 6.456 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.947 7.347 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.946 5.568 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.214 6.456 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.702 8.596 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.967 7.702 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.952 7.708 0.767 1.00 0.00 H new ATOM 513 N GLU A 30 -9.676 2.748 1.224 1.00 0.00 N ATOM 514 CA GLU A 30 -10.434 1.469 1.120 1.00 0.00 C ATOM 515 C GLU A 30 -10.931 1.283 -0.313 1.00 0.00 C ATOM 516 O GLU A 30 -11.287 0.196 -0.719 1.00 0.00 O ATOM 517 CB GLU A 30 -11.632 1.505 2.071 1.00 0.00 C ATOM 518 CG GLU A 30 -11.359 0.593 3.269 1.00 0.00 C ATOM 519 CD GLU A 30 -12.430 -0.498 3.337 1.00 0.00 C ATOM 520 OE1 GLU A 30 -12.951 -0.854 2.292 1.00 0.00 O ATOM 521 OE2 GLU A 30 -12.710 -0.959 4.430 1.00 0.00 O ATOM 0 H GLU A 30 -10.162 3.501 1.711 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.780 0.640 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.810 2.525 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.533 1.180 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.371 0.142 3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.360 1.176 4.190 1.00 0.00 H new ATOM 528 N ASP A 31 -10.956 2.334 -1.083 1.00 0.00 N ATOM 529 CA ASP A 31 -11.430 2.208 -2.491 1.00 0.00 C ATOM 530 C ASP A 31 -10.222 2.124 -3.425 1.00 0.00 C ATOM 531 O ASP A 31 -10.351 2.190 -4.631 1.00 0.00 O ATOM 532 CB ASP A 31 -12.273 3.430 -2.856 1.00 0.00 C ATOM 533 CG ASP A 31 -13.743 3.151 -2.539 1.00 0.00 C ATOM 534 OD1 ASP A 31 -14.331 2.334 -3.230 1.00 0.00 O ATOM 535 OD2 ASP A 31 -14.256 3.757 -1.613 1.00 0.00 O ATOM 0 H ASP A 31 -10.670 3.272 -0.801 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.035 1.307 -2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.929 4.301 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.156 3.662 -3.915 1.00 0.00 H new ATOM 540 N GLY A 32 -9.048 1.983 -2.875 1.00 0.00 N ATOM 541 CA GLY A 32 -7.828 1.899 -3.725 1.00 0.00 C ATOM 542 C GLY A 32 -6.633 2.422 -2.931 1.00 0.00 C ATOM 543 O GLY A 32 -6.755 2.765 -1.773 1.00 0.00 O ATOM 0 H GLY A 32 -8.881 1.922 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.654 0.868 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.961 2.485 -4.634 1.00 0.00 H new ATOM 547 N ILE A 33 -5.480 2.491 -3.535 1.00 0.00 N ATOM 548 CA ILE A 33 -4.289 3.000 -2.798 1.00 0.00 C ATOM 549 C ILE A 33 -3.481 3.925 -3.709 1.00 0.00 C ATOM 550 O ILE A 33 -3.096 3.559 -4.801 1.00 0.00 O ATOM 551 CB ILE A 33 -3.414 1.825 -2.360 1.00 0.00 C ATOM 552 CG1 ILE A 33 -4.200 0.935 -1.393 1.00 0.00 C ATOM 553 CG2 ILE A 33 -2.164 2.358 -1.656 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.372 -0.458 -2.003 1.00 0.00 C ATOM 0 H ILE A 33 -5.310 2.218 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.619 3.553 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.122 1.243 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.675 0.864 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.175 1.376 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.539 1.522 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.604 2.994 -2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.458 2.938 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.932 -1.090 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.915 -0.378 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.392 -0.899 -2.186 1.00 0.00 H new ATOM 566 N GLU A 34 -3.218 5.123 -3.264 1.00 0.00 N ATOM 567 CA GLU A 34 -2.430 6.074 -4.097 1.00 0.00 C ATOM 568 C GLU A 34 -1.335 6.699 -3.234 1.00 0.00 C ATOM 569 O GLU A 34 -1.610 7.387 -2.271 1.00 0.00 O ATOM 570 CB GLU A 34 -3.349 7.174 -4.634 1.00 0.00 C ATOM 571 CG GLU A 34 -4.303 7.631 -3.528 1.00 0.00 C ATOM 572 CD GLU A 34 -5.501 8.350 -4.152 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.324 9.469 -4.603 1.00 0.00 O ATOM 574 OE2 GLU A 34 -6.573 7.768 -4.169 1.00 0.00 O ATOM 0 H GLU A 34 -3.515 5.485 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.982 5.543 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.756 8.017 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.917 6.803 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.642 6.773 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.785 8.297 -2.838 1.00 0.00 H new ATOM 581 N PHE A 35 -0.095 6.463 -3.562 1.00 0.00 N ATOM 582 CA PHE A 35 1.004 7.045 -2.744 1.00 0.00 C ATOM 583 C PHE A 35 1.871 7.965 -3.607 1.00 0.00 C ATOM 584 O PHE A 35 2.052 7.742 -4.787 1.00 0.00 O ATOM 585 CB PHE A 35 1.862 5.919 -2.160 1.00 0.00 C ATOM 586 CG PHE A 35 2.284 4.964 -3.248 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.201 5.377 -4.222 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.769 3.662 -3.278 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.603 4.489 -5.228 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.171 2.772 -4.284 1.00 0.00 C ATOM 591 CZ PHE A 35 3.088 3.187 -5.259 1.00 0.00 C ATOM 0 H PHE A 35 0.203 5.896 -4.356 1.00 0.00 H new ATOM 0 HA PHE A 35 0.572 7.629 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.743 6.339 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.300 5.384 -1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.599 6.381 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.062 3.343 -2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.310 4.808 -5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.774 1.768 -4.307 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.398 2.502 -6.035 1.00 0.00 H new ATOM 601 N TYR A 36 2.411 9.000 -3.019 1.00 0.00 N ATOM 602 CA TYR A 36 3.272 9.944 -3.790 1.00 0.00 C ATOM 603 C TYR A 36 4.536 10.228 -2.980 1.00 0.00 C ATOM 604 O TYR A 36 4.920 9.462 -2.120 1.00 0.00 O ATOM 605 CB TYR A 36 2.536 11.274 -4.037 1.00 0.00 C ATOM 606 CG TYR A 36 1.061 11.150 -3.718 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.642 10.871 -2.409 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.110 11.323 -4.734 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.725 10.763 -2.119 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.255 11.216 -4.443 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.673 10.935 -3.137 1.00 0.00 C ATOM 612 OH TYR A 36 -3.018 10.828 -2.851 1.00 0.00 O ATOM 0 H TYR A 36 2.292 9.233 -2.033 1.00 0.00 H new ATOM 0 HA TYR A 36 3.519 9.492 -4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.979 12.058 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.662 11.575 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.373 10.739 -1.625 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.431 11.539 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.048 10.547 -1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.986 11.350 -5.227 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.472 10.359 -3.582 1.00 0.00 H new ATOM 622 N LYS A 37 5.180 11.334 -3.239 1.00 0.00 N ATOM 623 CA LYS A 37 6.408 11.677 -2.471 1.00 0.00 C ATOM 624 C LYS A 37 5.996 12.454 -1.220 1.00 0.00 C ATOM 625 O LYS A 37 6.305 12.074 -0.107 1.00 0.00 O ATOM 626 CB LYS A 37 7.328 12.545 -3.334 1.00 0.00 C ATOM 627 CG LYS A 37 8.789 12.232 -3.005 1.00 0.00 C ATOM 628 CD LYS A 37 9.702 13.014 -3.951 1.00 0.00 C ATOM 629 CE LYS A 37 11.101 13.121 -3.340 1.00 0.00 C ATOM 630 NZ LYS A 37 11.069 14.070 -2.192 1.00 0.00 N ATOM 0 H LYS A 37 4.908 12.014 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 37 6.939 10.768 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.135 12.358 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.123 13.600 -3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.005 12.498 -1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.975 11.163 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.754 12.515 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.294 14.009 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.440 12.140 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.812 13.465 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.014 14.484 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.384 14.828 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.787 13.562 -1.329 1.00 0.00 H new ATOM 644 N LYS A 38 5.281 13.532 -1.397 1.00 0.00 N ATOM 645 CA LYS A 38 4.825 14.332 -0.226 1.00 0.00 C ATOM 646 C LYS A 38 3.436 13.843 0.189 1.00 0.00 C ATOM 647 O LYS A 38 2.896 12.927 -0.398 1.00 0.00 O ATOM 648 CB LYS A 38 4.751 15.812 -0.614 1.00 0.00 C ATOM 649 CG LYS A 38 5.737 16.613 0.238 1.00 0.00 C ATOM 650 CD LYS A 38 6.420 17.672 -0.631 1.00 0.00 C ATOM 651 CE LYS A 38 6.242 19.050 0.009 1.00 0.00 C ATOM 652 NZ LYS A 38 5.821 20.030 -1.032 1.00 0.00 N ATOM 0 H LYS A 38 4.992 13.894 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 38 5.525 14.214 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.985 15.934 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.738 16.187 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.214 17.090 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.483 15.947 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.480 17.443 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.992 17.667 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.495 19.001 0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.176 19.372 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.700 20.967 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.549 20.083 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.920 19.724 -1.453 1.00 0.00 H new ATOM 666 N LYS A 39 2.847 14.437 1.190 1.00 0.00 N ATOM 667 CA LYS A 39 1.495 13.981 1.618 1.00 0.00 C ATOM 668 C LYS A 39 0.576 13.881 0.395 1.00 0.00 C ATOM 669 O LYS A 39 -0.415 13.178 0.411 1.00 0.00 O ATOM 670 CB LYS A 39 0.914 14.962 2.645 1.00 0.00 C ATOM 671 CG LYS A 39 -0.612 14.796 2.719 1.00 0.00 C ATOM 672 CD LYS A 39 -1.106 15.169 4.116 1.00 0.00 C ATOM 673 CE LYS A 39 -0.257 14.444 5.155 1.00 0.00 C ATOM 674 NZ LYS A 39 -1.131 13.906 6.234 1.00 0.00 N ATOM 0 H LYS A 39 3.239 15.211 1.726 1.00 0.00 H new ATOM 0 HA LYS A 39 1.574 12.998 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.356 14.781 3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.164 15.985 2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.092 15.428 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.887 13.767 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.041 16.247 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.155 14.895 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.296 13.632 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.479 15.128 5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.548 13.642 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.819 14.632 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.637 13.067 5.885 1.00 0.00 H new ATOM 688 N SER A 40 0.892 14.575 -0.665 1.00 0.00 N ATOM 689 CA SER A 40 0.030 14.508 -1.879 1.00 0.00 C ATOM 690 C SER A 40 0.895 14.644 -3.133 1.00 0.00 C ATOM 691 O SER A 40 0.761 13.889 -4.075 1.00 0.00 O ATOM 692 CB SER A 40 -0.992 15.644 -1.844 1.00 0.00 C ATOM 693 OG SER A 40 -1.364 15.903 -0.497 1.00 0.00 O ATOM 0 H SER A 40 1.707 15.183 -0.742 1.00 0.00 H new ATOM 0 HA SER A 40 -0.489 13.550 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.570 16.542 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.871 15.376 -2.430 1.00 0.00 H new ATOM 0 HG SER A 40 -2.018 16.632 -0.473 1.00 0.00 H new ATOM 699 N ASP A 41 1.779 15.608 -3.154 1.00 0.00 N ATOM 700 CA ASP A 41 2.651 15.802 -4.344 1.00 0.00 C ATOM 701 C ASP A 41 1.787 16.133 -5.564 1.00 0.00 C ATOM 702 O ASP A 41 2.256 16.164 -6.685 1.00 0.00 O ATOM 703 CB ASP A 41 3.449 14.519 -4.585 1.00 0.00 C ATOM 704 CG ASP A 41 4.070 14.535 -5.984 1.00 0.00 C ATOM 705 OD1 ASP A 41 4.501 15.594 -6.407 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.105 13.487 -6.606 1.00 0.00 O ATOM 0 H ASP A 41 1.933 16.270 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 41 3.341 16.628 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.232 14.423 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.797 13.652 -4.479 1.00 0.00 H new ATOM 711 N ASN A 42 0.524 16.387 -5.358 1.00 0.00 N ATOM 712 CA ASN A 42 -0.364 16.714 -6.504 1.00 0.00 C ATOM 713 C ASN A 42 -0.115 15.724 -7.646 1.00 0.00 C ATOM 714 O ASN A 42 -0.422 15.996 -8.789 1.00 0.00 O ATOM 715 CB ASN A 42 -0.062 18.134 -6.988 1.00 0.00 C ATOM 716 CG ASN A 42 -1.339 18.772 -7.538 1.00 0.00 C ATOM 717 OD1 ASN A 42 -2.389 18.675 -6.934 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.294 19.425 -8.666 1.00 0.00 N ATOM 0 H ASN A 42 0.070 16.382 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.405 16.647 -6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.331 18.733 -6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.706 18.110 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.140 19.854 -9.041 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.413 19.507 -9.173 1.00 0.00 H new ATOM 725 N SER A 43 0.440 14.575 -7.352 1.00 0.00 N ATOM 726 CA SER A 43 0.700 13.583 -8.433 1.00 0.00 C ATOM 727 C SER A 43 1.196 12.262 -7.824 1.00 0.00 C ATOM 728 O SER A 43 2.257 12.220 -7.234 1.00 0.00 O ATOM 729 CB SER A 43 1.771 14.137 -9.375 1.00 0.00 C ATOM 730 OG SER A 43 1.641 13.520 -10.648 1.00 0.00 O ATOM 0 H SER A 43 0.722 14.285 -6.416 1.00 0.00 H new ATOM 0 HA SER A 43 -0.223 13.400 -8.984 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.665 15.218 -9.469 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.764 13.949 -8.966 1.00 0.00 H new ATOM 0 HG SER A 43 2.325 13.874 -11.254 1.00 0.00 H new ATOM 736 N PRO A 44 0.418 11.216 -7.988 1.00 0.00 N ATOM 737 CA PRO A 44 0.772 9.903 -7.465 1.00 0.00 C ATOM 738 C PRO A 44 1.909 9.290 -8.278 1.00 0.00 C ATOM 739 O PRO A 44 1.883 9.269 -9.493 1.00 0.00 O ATOM 740 CB PRO A 44 -0.501 9.076 -7.614 1.00 0.00 C ATOM 741 CG PRO A 44 -1.252 9.775 -8.789 1.00 0.00 C ATOM 742 CD PRO A 44 -0.867 11.278 -8.702 1.00 0.00 C ATOM 0 HA PRO A 44 1.119 9.947 -6.433 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.278 8.034 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.093 9.082 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.958 9.351 -9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.330 9.641 -8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.766 11.732 -9.688 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.610 11.860 -8.157 1.00 0.00 H new ATOM 750 N LYS A 45 2.904 8.784 -7.609 1.00 0.00 N ATOM 751 CA LYS A 45 4.047 8.161 -8.321 1.00 0.00 C ATOM 752 C LYS A 45 3.732 6.673 -8.523 1.00 0.00 C ATOM 753 O LYS A 45 4.302 6.012 -9.368 1.00 0.00 O ATOM 754 CB LYS A 45 5.319 8.362 -7.472 1.00 0.00 C ATOM 755 CG LYS A 45 6.182 7.097 -7.460 1.00 0.00 C ATOM 756 CD LYS A 45 7.650 7.482 -7.270 1.00 0.00 C ATOM 757 CE LYS A 45 8.246 6.674 -6.115 1.00 0.00 C ATOM 758 NZ LYS A 45 9.535 7.289 -5.691 1.00 0.00 N ATOM 0 H LYS A 45 2.974 8.776 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 45 4.211 8.617 -9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.897 9.196 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.041 8.625 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.862 6.434 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.057 6.550 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.208 7.292 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.733 8.549 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.550 6.650 -5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.408 5.642 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.940 6.740 -4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.199 7.290 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.367 8.267 -5.379 1.00 0.00 H new ATOM 772 N GLY A 46 2.818 6.151 -7.753 1.00 0.00 N ATOM 773 CA GLY A 46 2.447 4.715 -7.891 1.00 0.00 C ATOM 774 C GLY A 46 1.163 4.455 -7.101 1.00 0.00 C ATOM 775 O GLY A 46 1.103 4.674 -5.907 1.00 0.00 O ATOM 0 H GLY A 46 2.309 6.660 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.300 4.463 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.252 4.081 -7.520 1.00 0.00 H new ATOM 779 N MET A 47 0.130 4.003 -7.756 1.00 0.00 N ATOM 780 CA MET A 47 -1.149 3.744 -7.038 1.00 0.00 C ATOM 781 C MET A 47 -1.522 2.266 -7.159 1.00 0.00 C ATOM 782 O MET A 47 -1.619 1.726 -8.243 1.00 0.00 O ATOM 783 CB MET A 47 -2.257 4.598 -7.653 1.00 0.00 C ATOM 784 CG MET A 47 -1.749 6.025 -7.863 1.00 0.00 C ATOM 785 SD MET A 47 -2.274 6.618 -9.491 1.00 0.00 S ATOM 786 CE MET A 47 -1.021 5.746 -10.463 1.00 0.00 C ATOM 0 H MET A 47 0.116 3.802 -8.756 1.00 0.00 H new ATOM 0 HA MET A 47 -1.029 3.999 -5.985 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.574 4.170 -8.604 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.130 4.604 -7.000 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.138 6.679 -7.083 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.662 6.050 -7.788 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.031 6.118 -11.487 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.037 5.916 -10.025 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.239 4.678 -10.463 1.00 0.00 H new ATOM 796 N ILE A 48 -1.744 1.610 -6.053 1.00 0.00 N ATOM 797 CA ILE A 48 -2.121 0.171 -6.105 1.00 0.00 C ATOM 798 C ILE A 48 -3.652 0.057 -6.165 1.00 0.00 C ATOM 799 O ILE A 48 -4.335 0.537 -5.283 1.00 0.00 O ATOM 800 CB ILE A 48 -1.611 -0.536 -4.847 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.164 -0.119 -4.578 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.674 -2.050 -5.052 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.003 0.211 -3.093 1.00 0.00 C ATOM 0 H ILE A 48 -1.680 2.009 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.679 -0.293 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.234 -0.257 -3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.516 -0.922 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.095 0.748 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.311 -2.554 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.705 -2.349 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.051 -2.328 -5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.034 0.508 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.667 1.028 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.239 -0.668 -2.496 1.00 0.00 H new ATOM 815 N PRO A 49 -4.151 -0.572 -7.202 1.00 0.00 N ATOM 816 CA PRO A 49 -5.586 -0.744 -7.375 1.00 0.00 C ATOM 817 C PRO A 49 -6.128 -1.744 -6.352 1.00 0.00 C ATOM 818 O PRO A 49 -5.506 -2.745 -6.059 1.00 0.00 O ATOM 819 CB PRO A 49 -5.740 -1.284 -8.794 1.00 0.00 C ATOM 820 CG PRO A 49 -4.368 -1.970 -9.073 1.00 0.00 C ATOM 821 CD PRO A 49 -3.318 -1.153 -8.267 1.00 0.00 C ATOM 0 HA PRO A 49 -6.139 0.183 -7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.565 -1.993 -8.867 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.942 -0.485 -9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.380 -3.013 -8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.136 -1.963 -10.138 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.525 -1.785 -7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.839 -0.387 -8.877 1.00 0.00 H new ATOM 829 N LEU A 50 -7.283 -1.480 -5.805 1.00 0.00 N ATOM 830 CA LEU A 50 -7.863 -2.415 -4.801 1.00 0.00 C ATOM 831 C LEU A 50 -8.626 -3.537 -5.514 1.00 0.00 C ATOM 832 O LEU A 50 -9.661 -3.979 -5.059 1.00 0.00 O ATOM 833 CB LEU A 50 -8.824 -1.647 -3.893 1.00 0.00 C ATOM 834 CG LEU A 50 -8.399 -1.819 -2.435 1.00 0.00 C ATOM 835 CD1 LEU A 50 -7.574 -0.608 -1.995 1.00 0.00 C ATOM 836 CD2 LEU A 50 -9.646 -1.933 -1.557 1.00 0.00 C ATOM 0 H LEU A 50 -7.850 -0.657 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.059 -2.849 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.826 -0.590 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.842 -2.012 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.796 -2.721 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.272 -0.732 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.687 -0.524 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.175 0.296 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.348 -2.056 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.246 -1.029 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.234 -2.796 -1.870 1.00 0.00 H new ATOM 848 N LYS A 51 -8.123 -4.004 -6.626 1.00 0.00 N ATOM 849 CA LYS A 51 -8.823 -5.097 -7.359 1.00 0.00 C ATOM 850 C LYS A 51 -8.463 -6.444 -6.727 1.00 0.00 C ATOM 851 O LYS A 51 -9.283 -7.084 -6.098 1.00 0.00 O ATOM 852 CB LYS A 51 -8.389 -5.088 -8.827 1.00 0.00 C ATOM 853 CG LYS A 51 -9.626 -5.070 -9.726 1.00 0.00 C ATOM 854 CD LYS A 51 -9.389 -4.120 -10.902 1.00 0.00 C ATOM 855 CE LYS A 51 -10.314 -2.907 -10.773 1.00 0.00 C ATOM 856 NZ LYS A 51 -11.569 -3.156 -11.536 1.00 0.00 N ATOM 0 H LYS A 51 -7.259 -3.676 -7.057 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.901 -4.944 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.768 -4.215 -9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.782 -5.967 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.836 -6.075 -10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.498 -4.750 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.348 -3.797 -10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.577 -4.636 -11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.544 -2.722 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.816 -2.015 -11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.198 -2.332 -11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.341 -3.312 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.046 -3.998 -11.154 1.00 0.00 H new ATOM 870 N GLY A 52 -7.244 -6.882 -6.890 1.00 0.00 N ATOM 871 CA GLY A 52 -6.835 -8.187 -6.298 1.00 0.00 C ATOM 872 C GLY A 52 -5.457 -8.044 -5.651 1.00 0.00 C ATOM 873 O GLY A 52 -4.721 -9.001 -5.514 1.00 0.00 O ATOM 0 H GLY A 52 -6.514 -6.392 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.566 -8.506 -5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.808 -8.956 -7.070 1.00 0.00 H new ATOM 877 N SER A 53 -5.099 -6.848 -5.265 1.00 0.00 N ATOM 878 CA SER A 53 -3.763 -6.622 -4.635 1.00 0.00 C ATOM 879 C SER A 53 -3.424 -7.765 -3.684 1.00 0.00 C ATOM 880 O SER A 53 -4.267 -8.274 -2.971 1.00 0.00 O ATOM 881 CB SER A 53 -3.783 -5.304 -3.860 1.00 0.00 C ATOM 882 OG SER A 53 -5.119 -5.004 -3.476 1.00 0.00 O ATOM 0 H SER A 53 -5.677 -6.013 -5.359 1.00 0.00 H new ATOM 0 HA SER A 53 -3.006 -6.579 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.147 -5.378 -2.978 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.381 -4.500 -4.477 1.00 0.00 H new ATOM 0 HG SER A 53 -5.496 -4.343 -4.094 1.00 0.00 H new ATOM 888 N THR A 54 -2.183 -8.161 -3.668 1.00 0.00 N ATOM 889 CA THR A 54 -1.753 -9.260 -2.767 1.00 0.00 C ATOM 890 C THR A 54 -0.820 -8.670 -1.704 1.00 0.00 C ATOM 891 O THR A 54 -0.363 -7.555 -1.830 1.00 0.00 O ATOM 892 CB THR A 54 -1.035 -10.340 -3.602 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.419 -11.626 -3.135 1.00 0.00 O ATOM 894 CG2 THR A 54 0.487 -10.196 -3.493 1.00 0.00 C ATOM 0 H THR A 54 -1.442 -7.765 -4.247 1.00 0.00 H new ATOM 0 HA THR A 54 -2.607 -9.723 -2.272 1.00 0.00 H new ATOM 0 HB THR A 54 -1.321 -10.217 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.966 -12.315 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.969 -10.969 -4.091 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.787 -9.214 -3.860 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.789 -10.302 -2.451 1.00 0.00 H new ATOM 902 N LEU A 55 -0.527 -9.401 -0.668 1.00 0.00 N ATOM 903 CA LEU A 55 0.380 -8.857 0.380 1.00 0.00 C ATOM 904 C LEU A 55 1.366 -9.945 0.816 1.00 0.00 C ATOM 905 O LEU A 55 0.979 -10.973 1.334 1.00 0.00 O ATOM 906 CB LEU A 55 -0.452 -8.397 1.583 1.00 0.00 C ATOM 907 CG LEU A 55 0.463 -7.944 2.728 1.00 0.00 C ATOM 908 CD1 LEU A 55 0.978 -9.165 3.490 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.654 -7.158 2.173 1.00 0.00 C ATOM 0 H LEU A 55 -0.873 -10.346 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 55 0.936 -8.009 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.107 -7.578 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.093 -9.211 1.922 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.108 -7.304 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.628 -8.839 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.134 -9.720 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.540 -9.807 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.296 -6.842 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.222 -7.791 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.293 -6.281 1.637 1.00 0.00 H new ATOM 921 N THR A 56 2.637 -9.730 0.604 1.00 0.00 N ATOM 922 CA THR A 56 3.643 -10.756 1.000 1.00 0.00 C ATOM 923 C THR A 56 4.428 -10.272 2.222 1.00 0.00 C ATOM 924 O THR A 56 4.849 -9.134 2.293 1.00 0.00 O ATOM 925 CB THR A 56 4.611 -10.990 -0.162 1.00 0.00 C ATOM 926 OG1 THR A 56 3.926 -11.639 -1.224 1.00 0.00 O ATOM 927 CG2 THR A 56 5.777 -11.863 0.307 1.00 0.00 C ATOM 0 H THR A 56 3.021 -8.889 0.174 1.00 0.00 H new ATOM 0 HA THR A 56 3.130 -11.685 1.247 1.00 0.00 H new ATOM 0 HB THR A 56 4.997 -10.032 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.544 -11.788 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.465 -12.028 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.303 -11.362 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.395 -12.822 0.658 1.00 0.00 H new ATOM 935 N SER A 57 4.629 -11.131 3.185 1.00 0.00 N ATOM 936 CA SER A 57 5.388 -10.727 4.402 1.00 0.00 C ATOM 937 C SER A 57 6.108 -11.953 4.979 1.00 0.00 C ATOM 938 O SER A 57 5.477 -12.932 5.325 1.00 0.00 O ATOM 939 CB SER A 57 4.422 -10.166 5.446 1.00 0.00 C ATOM 940 OG SER A 57 5.081 -9.157 6.200 1.00 0.00 O ATOM 0 H SER A 57 4.300 -12.096 3.181 1.00 0.00 H new ATOM 0 HA SER A 57 6.119 -9.962 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.539 -9.753 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.078 -10.963 6.105 1.00 0.00 H new ATOM 0 HG SER A 57 4.464 -8.794 6.869 1.00 0.00 H new ATOM 946 N PRO A 58 7.412 -11.860 5.066 1.00 0.00 N ATOM 947 CA PRO A 58 8.144 -10.676 4.645 1.00 0.00 C ATOM 948 C PRO A 58 8.171 -10.582 3.115 1.00 0.00 C ATOM 949 O PRO A 58 7.373 -11.193 2.432 1.00 0.00 O ATOM 950 CB PRO A 58 9.539 -10.873 5.194 1.00 0.00 C ATOM 951 CG PRO A 58 9.673 -12.424 5.314 1.00 0.00 C ATOM 952 CD PRO A 58 8.237 -12.951 5.601 1.00 0.00 C ATOM 0 HA PRO A 58 7.688 -9.754 5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.294 -10.456 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.662 -10.384 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.072 -12.855 4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.358 -12.697 6.117 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.040 -13.898 5.099 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.064 -13.112 6.665 1.00 0.00 H new ATOM 960 N CYS A 59 9.080 -9.817 2.574 1.00 0.00 N ATOM 961 CA CYS A 59 9.153 -9.680 1.092 1.00 0.00 C ATOM 962 C CYS A 59 10.312 -10.521 0.547 1.00 0.00 C ATOM 963 O CYS A 59 10.647 -11.558 1.085 1.00 0.00 O ATOM 964 CB CYS A 59 9.376 -8.210 0.729 1.00 0.00 C ATOM 965 SG CYS A 59 11.123 -7.792 0.948 1.00 0.00 S ATOM 0 H CYS A 59 9.775 -9.281 3.094 1.00 0.00 H new ATOM 0 HA CYS A 59 8.219 -10.030 0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.075 -8.030 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.757 -7.571 1.358 1.00 0.00 H new ATOM 0 HG CYS A 59 11.731 -7.851 -0.200 1.00 0.00 H new ATOM 971 N GLN A 60 10.921 -10.084 -0.522 1.00 0.00 N ATOM 972 CA GLN A 60 12.053 -10.855 -1.114 1.00 0.00 C ATOM 973 C GLN A 60 13.285 -10.748 -0.212 1.00 0.00 C ATOM 974 O GLN A 60 13.180 -10.747 0.998 1.00 0.00 O ATOM 975 CB GLN A 60 12.372 -10.292 -2.500 1.00 0.00 C ATOM 976 CG GLN A 60 12.909 -11.410 -3.395 1.00 0.00 C ATOM 977 CD GLN A 60 13.562 -10.802 -4.637 1.00 0.00 C ATOM 978 OE1 GLN A 60 13.958 -9.653 -4.629 1.00 0.00 O ATOM 979 NE2 GLN A 60 13.693 -11.528 -5.714 1.00 0.00 N ATOM 0 H GLN A 60 10.682 -9.222 -1.013 1.00 0.00 H new ATOM 0 HA GLN A 60 11.773 -11.905 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.476 -9.857 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.108 -9.492 -2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.635 -12.011 -2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.098 -12.077 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.361 -12.492 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.127 -11.131 -6.547 1.00 0.00 H new ATOM 988 N ASP A 61 14.454 -10.656 -0.792 1.00 0.00 N ATOM 989 CA ASP A 61 15.690 -10.548 0.034 1.00 0.00 C ATOM 990 C ASP A 61 15.710 -9.199 0.758 1.00 0.00 C ATOM 991 O ASP A 61 16.609 -8.913 1.525 1.00 0.00 O ATOM 992 CB ASP A 61 16.919 -10.657 -0.872 1.00 0.00 C ATOM 993 CG ASP A 61 16.914 -12.014 -1.578 1.00 0.00 C ATOM 994 OD1 ASP A 61 16.678 -13.007 -0.910 1.00 0.00 O ATOM 995 OD2 ASP A 61 17.148 -12.037 -2.776 1.00 0.00 O ATOM 0 H ASP A 61 14.604 -10.651 -1.801 1.00 0.00 H new ATOM 0 HA ASP A 61 15.705 -11.353 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.914 -9.853 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.829 -10.545 -0.283 1.00 0.00 H new ATOM 1000 N PHE A 62 14.729 -8.368 0.528 1.00 0.00 N ATOM 1001 CA PHE A 62 14.704 -7.047 1.216 1.00 0.00 C ATOM 1002 C PHE A 62 13.968 -7.195 2.549 1.00 0.00 C ATOM 1003 O PHE A 62 14.187 -6.443 3.478 1.00 0.00 O ATOM 1004 CB PHE A 62 13.981 -6.023 0.336 1.00 0.00 C ATOM 1005 CG PHE A 62 14.951 -5.443 -0.666 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.874 -4.468 -0.266 1.00 0.00 C ATOM 1007 CD2 PHE A 62 14.929 -5.883 -1.997 1.00 0.00 C ATOM 1008 CE1 PHE A 62 16.774 -3.932 -1.197 1.00 0.00 C ATOM 1009 CE2 PHE A 62 15.828 -5.347 -2.927 1.00 0.00 C ATOM 1010 CZ PHE A 62 16.751 -4.371 -2.527 1.00 0.00 C ATOM 0 H PHE A 62 13.948 -8.546 -0.103 1.00 0.00 H new ATOM 0 HA PHE A 62 15.723 -6.704 1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.147 -6.497 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.562 -5.229 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.892 -4.130 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.218 -6.636 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.486 -3.180 -0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.810 -5.686 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 62 17.444 -3.957 -3.244 1.00 0.00 H new ATOM 1020 N GLY A 63 13.105 -8.170 2.652 1.00 0.00 N ATOM 1021 CA GLY A 63 12.362 -8.379 3.927 1.00 0.00 C ATOM 1022 C GLY A 63 13.303 -8.991 4.964 1.00 0.00 C ATOM 1023 O GLY A 63 13.397 -8.527 6.083 1.00 0.00 O ATOM 0 H GLY A 63 12.883 -8.831 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.968 -7.430 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.508 -9.036 3.761 1.00 0.00 H new ATOM 1027 N LYS A 64 14.005 -10.027 4.597 1.00 0.00 N ATOM 1028 CA LYS A 64 14.946 -10.667 5.559 1.00 0.00 C ATOM 1029 C LYS A 64 15.905 -9.608 6.104 1.00 0.00 C ATOM 1030 O LYS A 64 16.517 -9.782 7.139 1.00 0.00 O ATOM 1031 CB LYS A 64 15.744 -11.758 4.843 1.00 0.00 C ATOM 1032 CG LYS A 64 16.047 -12.894 5.822 1.00 0.00 C ATOM 1033 CD LYS A 64 17.491 -12.775 6.314 1.00 0.00 C ATOM 1034 CE LYS A 64 17.942 -14.114 6.900 1.00 0.00 C ATOM 1035 NZ LYS A 64 18.362 -13.920 8.317 1.00 0.00 N ATOM 0 H LYS A 64 13.968 -10.458 3.673 1.00 0.00 H new ATOM 0 HA LYS A 64 14.384 -11.111 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.179 -12.138 3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.673 -11.345 4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.360 -12.853 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.896 -13.857 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.145 -12.488 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.566 -11.992 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.130 -14.839 6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.769 -14.518 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.669 -14.830 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.150 -13.242 8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.561 -13.552 8.869 1.00 0.00 H new ATOM 1049 N ARG A 65 16.040 -8.508 5.413 1.00 0.00 N ATOM 1050 CA ARG A 65 16.957 -7.435 5.887 1.00 0.00 C ATOM 1051 C ARG A 65 16.228 -6.553 6.896 1.00 0.00 C ATOM 1052 O ARG A 65 16.450 -6.633 8.088 1.00 0.00 O ATOM 1053 CB ARG A 65 17.413 -6.589 4.695 1.00 0.00 C ATOM 1054 CG ARG A 65 18.428 -5.546 5.165 1.00 0.00 C ATOM 1055 CD ARG A 65 19.819 -5.917 4.648 1.00 0.00 C ATOM 1056 NE ARG A 65 20.488 -6.818 5.628 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.798 -6.374 6.816 1.00 0.00 C ATOM 1058 NH1 ARG A 65 21.371 -5.210 6.949 1.00 0.00 N ATOM 1059 NH2 ARG A 65 20.533 -7.095 7.872 1.00 0.00 N ATOM 0 H ARG A 65 15.553 -8.307 4.539 1.00 0.00 H new ATOM 0 HA ARG A 65 17.828 -7.884 6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.859 -7.227 3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.556 -6.096 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.145 -4.558 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.435 -5.495 6.254 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.739 -6.411 3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.415 -5.017 4.499 1.00 0.00 H new ATOM 0 HE ARG A 65 20.704 -7.781 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.577 -4.646 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.613 -4.864 7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.084 -8.005 7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.775 -6.748 8.800 1.00 0.00 H new ATOM 1073 N MET A 66 15.364 -5.714 6.422 1.00 0.00 N ATOM 1074 CA MET A 66 14.606 -4.814 7.338 1.00 0.00 C ATOM 1075 C MET A 66 13.119 -5.173 7.294 1.00 0.00 C ATOM 1076 O MET A 66 12.748 -6.285 6.971 1.00 0.00 O ATOM 1077 CB MET A 66 14.793 -3.361 6.896 1.00 0.00 C ATOM 1078 CG MET A 66 16.246 -3.139 6.472 1.00 0.00 C ATOM 1079 SD MET A 66 16.970 -1.815 7.471 1.00 0.00 S ATOM 1080 CE MET A 66 18.700 -2.127 7.045 1.00 0.00 C ATOM 0 H MET A 66 15.143 -5.607 5.432 1.00 0.00 H new ATOM 0 HA MET A 66 14.978 -4.936 8.355 1.00 0.00 H new ATOM 0 HB2 MET A 66 14.122 -3.133 6.068 1.00 0.00 H new ATOM 0 HB3 MET A 66 14.534 -2.686 7.711 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.817 -4.059 6.598 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.292 -2.878 5.415 1.00 0.00 H new ATOM 0 HE1 MET A 66 19.337 -1.409 7.562 1.00 0.00 H new ATOM 0 HE2 MET A 66 18.973 -3.138 7.348 1.00 0.00 H new ATOM 0 HE3 MET A 66 18.834 -2.022 5.968 1.00 0.00 H new ATOM 1090 N PHE A 67 12.264 -4.241 7.617 1.00 0.00 N ATOM 1091 CA PHE A 67 10.802 -4.530 7.595 1.00 0.00 C ATOM 1092 C PHE A 67 10.204 -4.035 6.276 1.00 0.00 C ATOM 1093 O PHE A 67 9.719 -2.924 6.183 1.00 0.00 O ATOM 1094 CB PHE A 67 10.125 -3.813 8.764 1.00 0.00 C ATOM 1095 CG PHE A 67 10.884 -4.103 10.036 1.00 0.00 C ATOM 1096 CD1 PHE A 67 12.034 -3.365 10.350 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.440 -5.110 10.903 1.00 0.00 C ATOM 1098 CE1 PHE A 67 12.740 -3.635 11.529 1.00 0.00 C ATOM 1099 CE2 PHE A 67 11.146 -5.381 12.082 1.00 0.00 C ATOM 1100 CZ PHE A 67 12.296 -4.644 12.396 1.00 0.00 C ATOM 0 H PHE A 67 12.515 -3.292 7.895 1.00 0.00 H new ATOM 0 HA PHE A 67 10.641 -5.604 7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.098 -2.739 8.580 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.092 -4.146 8.860 1.00 0.00 H new ATOM 0 HD1 PHE A 67 12.376 -2.588 9.682 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.553 -5.677 10.662 1.00 0.00 H new ATOM 0 HE1 PHE A 67 13.626 -3.066 11.770 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.804 -6.158 12.749 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.840 -4.853 13.305 1.00 0.00 H new ATOM 1110 N VAL A 68 10.240 -4.847 5.256 1.00 0.00 N ATOM 1111 CA VAL A 68 9.682 -4.420 3.945 1.00 0.00 C ATOM 1112 C VAL A 68 8.668 -5.462 3.455 1.00 0.00 C ATOM 1113 O VAL A 68 8.902 -6.652 3.532 1.00 0.00 O ATOM 1114 CB VAL A 68 10.835 -4.281 2.942 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.856 -5.392 3.184 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.316 -4.382 1.503 1.00 0.00 C ATOM 0 H VAL A 68 10.632 -5.788 5.275 1.00 0.00 H new ATOM 0 HA VAL A 68 9.172 -3.462 4.045 1.00 0.00 H new ATOM 0 HB VAL A 68 11.301 -3.305 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.676 -5.294 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.246 -5.313 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.376 -6.362 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.149 -4.281 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.836 -5.350 1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.593 -3.587 1.320 1.00 0.00 H new ATOM 1126 N PHE A 69 7.543 -5.023 2.950 1.00 0.00 N ATOM 1127 CA PHE A 69 6.523 -5.993 2.457 1.00 0.00 C ATOM 1128 C PHE A 69 6.498 -5.982 0.924 1.00 0.00 C ATOM 1129 O PHE A 69 7.186 -5.202 0.290 1.00 0.00 O ATOM 1130 CB PHE A 69 5.142 -5.629 3.035 1.00 0.00 C ATOM 1131 CG PHE A 69 4.458 -4.538 2.228 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.201 -3.640 1.448 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.062 -4.427 2.268 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.551 -2.641 0.713 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.412 -3.428 1.533 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.156 -2.536 0.754 1.00 0.00 C ATOM 0 H PHE A 69 7.289 -4.039 2.859 1.00 0.00 H new ATOM 0 HA PHE A 69 6.780 -6.999 2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.510 -6.517 3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.256 -5.299 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.278 -3.719 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.485 -5.115 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.127 -1.951 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.336 -3.346 1.568 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.655 -1.767 0.185 1.00 0.00 H new ATOM 1146 N LYS A 70 5.719 -6.840 0.321 1.00 0.00 N ATOM 1147 CA LYS A 70 5.668 -6.871 -1.169 1.00 0.00 C ATOM 1148 C LYS A 70 4.236 -7.151 -1.636 1.00 0.00 C ATOM 1149 O LYS A 70 3.782 -8.279 -1.637 1.00 0.00 O ATOM 1150 CB LYS A 70 6.596 -7.973 -1.684 1.00 0.00 C ATOM 1151 CG LYS A 70 6.342 -8.207 -3.174 1.00 0.00 C ATOM 1152 CD LYS A 70 7.281 -9.301 -3.689 1.00 0.00 C ATOM 1153 CE LYS A 70 7.256 -10.492 -2.730 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.399 -11.756 -3.505 1.00 0.00 N ATOM 0 H LYS A 70 5.119 -7.517 0.793 1.00 0.00 H new ATOM 0 HA LYS A 70 5.990 -5.906 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.636 -7.690 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.426 -8.895 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.304 -8.499 -3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.503 -7.284 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.975 -9.618 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.296 -8.912 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.064 -10.405 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.322 -10.501 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.382 -12.566 -2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.614 -11.839 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.301 -11.746 -4.022 1.00 0.00 H new ATOM 1168 N ILE A 71 3.525 -6.134 -2.041 1.00 0.00 N ATOM 1169 CA ILE A 71 2.127 -6.336 -2.517 1.00 0.00 C ATOM 1170 C ILE A 71 2.147 -6.597 -4.027 1.00 0.00 C ATOM 1171 O ILE A 71 3.097 -6.275 -4.711 1.00 0.00 O ATOM 1172 CB ILE A 71 1.303 -5.076 -2.210 1.00 0.00 C ATOM 1173 CG1 ILE A 71 0.819 -5.124 -0.758 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.091 -4.982 -3.149 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.145 -3.798 -0.400 1.00 0.00 C ATOM 0 H ILE A 71 3.854 -5.169 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 71 1.676 -7.189 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 71 1.934 -4.200 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.118 -5.948 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.660 -5.309 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.481 -4.083 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.434 -4.937 -4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.542 -5.859 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.199 -3.832 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.860 -2.983 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.706 -3.632 -1.061 1.00 0.00 H new ATOM 1187 N THR A 72 1.100 -7.173 -4.551 1.00 0.00 N ATOM 1188 CA THR A 72 1.055 -7.449 -6.016 1.00 0.00 C ATOM 1189 C THR A 72 -0.354 -7.174 -6.540 1.00 0.00 C ATOM 1190 O THR A 72 -1.275 -7.929 -6.306 1.00 0.00 O ATOM 1191 CB THR A 72 1.421 -8.909 -6.279 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.776 -9.132 -5.915 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.229 -9.218 -7.761 1.00 0.00 C ATOM 0 H THR A 72 0.274 -7.465 -4.029 1.00 0.00 H new ATOM 0 HA THR A 72 1.769 -6.803 -6.527 1.00 0.00 H new ATOM 0 HB THR A 72 0.778 -9.560 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.010 -10.069 -6.082 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.489 -10.259 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.188 -9.048 -8.036 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.872 -8.568 -8.354 1.00 0.00 H new ATOM 1201 N THR A 73 -0.530 -6.087 -7.235 1.00 0.00 N ATOM 1202 CA THR A 73 -1.889 -5.749 -7.760 1.00 0.00 C ATOM 1203 C THR A 73 -2.507 -6.967 -8.462 1.00 0.00 C ATOM 1204 O THR A 73 -2.130 -7.335 -9.556 1.00 0.00 O ATOM 1205 CB THR A 73 -1.841 -4.552 -8.737 1.00 0.00 C ATOM 1206 OG1 THR A 73 -2.405 -4.934 -9.984 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.406 -4.071 -8.962 1.00 0.00 C ATOM 0 H THR A 73 0.204 -5.417 -7.464 1.00 0.00 H new ATOM 0 HA THR A 73 -2.509 -5.467 -6.909 1.00 0.00 H new ATOM 0 HB THR A 73 -2.413 -3.735 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.375 -4.175 -10.603 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.409 -3.229 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.026 -3.758 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.188 -4.883 -9.381 1.00 0.00 H new ATOM 1215 N THR A 74 -3.477 -7.568 -7.829 1.00 0.00 N ATOM 1216 CA THR A 74 -4.182 -8.748 -8.418 1.00 0.00 C ATOM 1217 C THR A 74 -3.196 -9.684 -9.138 1.00 0.00 C ATOM 1218 O THR A 74 -3.553 -10.378 -10.068 1.00 0.00 O ATOM 1219 CB THR A 74 -5.274 -8.258 -9.389 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.376 -9.137 -10.500 1.00 0.00 O ATOM 1221 CG2 THR A 74 -4.942 -6.849 -9.886 1.00 0.00 C ATOM 0 H THR A 74 -3.819 -7.287 -6.910 1.00 0.00 H new ATOM 0 HA THR A 74 -4.644 -9.318 -7.612 1.00 0.00 H new ATOM 0 HB THR A 74 -6.225 -8.240 -8.857 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.112 -10.041 -10.228 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.720 -6.512 -10.571 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.886 -6.167 -9.037 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.983 -6.862 -10.404 1.00 0.00 H new ATOM 1229 N LYS A 75 -1.962 -9.722 -8.704 1.00 0.00 N ATOM 1230 CA LYS A 75 -0.963 -10.624 -9.349 1.00 0.00 C ATOM 1231 C LYS A 75 -0.403 -9.944 -10.592 1.00 0.00 C ATOM 1232 O LYS A 75 -0.298 -10.541 -11.645 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.623 -11.950 -9.741 1.00 0.00 C ATOM 1234 CG LYS A 75 -0.586 -13.074 -9.674 1.00 0.00 C ATOM 1235 CD LYS A 75 -0.841 -14.074 -10.804 1.00 0.00 C ATOM 1236 CE LYS A 75 -0.605 -15.495 -10.290 1.00 0.00 C ATOM 1237 NZ LYS A 75 -1.098 -16.476 -11.297 1.00 0.00 N ATOM 0 H LYS A 75 -1.603 -9.165 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.156 -10.828 -8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.455 -12.167 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.035 -11.880 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.419 -12.661 -9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.642 -13.578 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.863 -13.973 -11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.180 -13.865 -11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.457 -15.653 -10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.122 -15.641 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.938 -17.442 -10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.115 -16.329 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.586 -16.342 -12.192 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.046 -8.697 -10.480 1.00 0.00 N ATOM 1252 CA GLN A 76 0.503 -7.986 -11.660 1.00 0.00 C ATOM 1253 C GLN A 76 1.759 -7.218 -11.270 1.00 0.00 C ATOM 1254 O GLN A 76 2.867 -7.700 -11.398 1.00 0.00 O ATOM 1255 CB GLN A 76 -0.546 -7.011 -12.201 1.00 0.00 C ATOM 1256 CG GLN A 76 0.091 -6.113 -13.262 1.00 0.00 C ATOM 1257 CD GLN A 76 -0.945 -5.773 -14.334 1.00 0.00 C ATOM 1258 OE1 GLN A 76 -0.626 -5.699 -15.504 1.00 0.00 O ATOM 1259 NE2 GLN A 76 -2.184 -5.565 -13.983 1.00 0.00 N ATOM 0 H GLN A 76 -0.111 -8.143 -9.626 1.00 0.00 H new ATOM 0 HA GLN A 76 0.757 -8.715 -12.429 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.383 -7.562 -12.630 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.947 -6.404 -11.389 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.467 -5.199 -12.802 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.945 -6.617 -13.714 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.453 -5.627 -13.001 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.884 -5.341 -14.690 1.00 0.00 H new ATOM 1268 N GLN A 77 1.588 -6.023 -10.802 1.00 0.00 N ATOM 1269 CA GLN A 77 2.761 -5.195 -10.403 1.00 0.00 C ATOM 1270 C GLN A 77 3.075 -5.426 -8.924 1.00 0.00 C ATOM 1271 O GLN A 77 2.193 -5.473 -8.092 1.00 0.00 O ATOM 1272 CB GLN A 77 2.440 -3.717 -10.630 1.00 0.00 C ATOM 1273 CG GLN A 77 3.699 -2.989 -11.106 1.00 0.00 C ATOM 1274 CD GLN A 77 3.739 -1.585 -10.498 1.00 0.00 C ATOM 1275 OE1 GLN A 77 3.102 -0.677 -10.995 1.00 0.00 O ATOM 1276 NE2 GLN A 77 4.466 -1.367 -9.437 1.00 0.00 N ATOM 0 H GLN A 77 0.681 -5.575 -10.675 1.00 0.00 H new ATOM 0 HA GLN A 77 3.625 -5.478 -11.004 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.647 -3.616 -11.370 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.074 -3.267 -9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.588 -3.549 -10.814 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.706 -2.926 -12.194 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.001 -2.129 -9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.500 -0.435 -9.025 1.00 0.00 H new ATOM 1285 N ASP A 78 4.328 -5.567 -8.589 1.00 0.00 N ATOM 1286 CA ASP A 78 4.696 -5.791 -7.163 1.00 0.00 C ATOM 1287 C ASP A 78 4.912 -4.441 -6.477 1.00 0.00 C ATOM 1288 O ASP A 78 4.990 -3.412 -7.119 1.00 0.00 O ATOM 1289 CB ASP A 78 5.983 -6.615 -7.092 1.00 0.00 C ATOM 1290 CG ASP A 78 5.716 -8.026 -7.617 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.163 -8.141 -8.699 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.070 -8.969 -6.929 1.00 0.00 O ATOM 0 H ASP A 78 5.112 -5.537 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 78 3.894 -6.330 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.766 -6.138 -7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.342 -6.660 -6.064 1.00 0.00 H new ATOM 1297 N HIS A 79 5.010 -4.434 -5.176 1.00 0.00 N ATOM 1298 CA HIS A 79 5.220 -3.151 -4.450 1.00 0.00 C ATOM 1299 C HIS A 79 6.054 -3.409 -3.194 1.00 0.00 C ATOM 1300 O HIS A 79 5.544 -3.829 -2.173 1.00 0.00 O ATOM 1301 CB HIS A 79 3.866 -2.562 -4.051 1.00 0.00 C ATOM 1302 CG HIS A 79 3.152 -2.064 -5.278 1.00 0.00 C ATOM 1303 ND1 HIS A 79 3.365 -0.795 -5.793 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.228 -2.654 -6.106 1.00 0.00 C ATOM 1305 CE1 HIS A 79 2.583 -0.661 -6.881 1.00 0.00 C ATOM 1306 NE2 HIS A 79 1.869 -1.766 -7.116 1.00 0.00 N ATOM 0 H HIS A 79 4.954 -5.263 -4.584 1.00 0.00 H new ATOM 0 HA HIS A 79 5.744 -2.448 -5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.263 -3.318 -3.548 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.008 -1.745 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.839 -3.655 -5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.538 0.230 -7.489 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.204 -1.925 -7.873 1.00 0.00 H new ATOM 1314 N PHE A 80 7.333 -3.164 -3.260 1.00 0.00 N ATOM 1315 CA PHE A 80 8.199 -3.398 -2.069 1.00 0.00 C ATOM 1316 C PHE A 80 8.379 -2.084 -1.307 1.00 0.00 C ATOM 1317 O PHE A 80 8.893 -1.117 -1.835 1.00 0.00 O ATOM 1318 CB PHE A 80 9.571 -3.915 -2.519 1.00 0.00 C ATOM 1319 CG PHE A 80 9.446 -4.643 -3.837 1.00 0.00 C ATOM 1320 CD1 PHE A 80 8.978 -5.963 -3.869 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.798 -3.996 -5.030 1.00 0.00 C ATOM 1322 CE1 PHE A 80 8.864 -6.636 -5.093 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.683 -4.669 -6.252 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.216 -5.989 -6.284 1.00 0.00 C ATOM 0 H PHE A 80 7.817 -2.812 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 80 7.729 -4.138 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.267 -3.082 -2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.982 -4.584 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.705 -6.462 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.158 -2.978 -5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.505 -7.654 -5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.955 -4.170 -7.171 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.127 -6.508 -7.227 1.00 0.00 H new ATOM 1334 N PHE A 81 7.965 -2.035 -0.070 1.00 0.00 N ATOM 1335 CA PHE A 81 8.122 -0.775 0.714 1.00 0.00 C ATOM 1336 C PHE A 81 8.612 -1.121 2.125 1.00 0.00 C ATOM 1337 O PHE A 81 8.611 -2.268 2.515 1.00 0.00 O ATOM 1338 CB PHE A 81 6.773 -0.013 0.718 1.00 0.00 C ATOM 1339 CG PHE A 81 6.036 -0.084 2.047 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.018 -1.258 2.819 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.341 1.047 2.492 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.315 -1.292 4.032 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.637 1.011 3.700 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.625 -0.155 4.471 1.00 0.00 C ATOM 0 H PHE A 81 7.527 -2.808 0.430 1.00 0.00 H new ATOM 0 HA PHE A 81 8.867 -0.119 0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.955 1.032 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.133 -0.420 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.547 -2.136 2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.349 1.950 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.306 -2.193 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.101 1.886 4.038 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.084 -0.179 5.405 1.00 0.00 H new ATOM 1354 N GLN A 82 9.038 -0.158 2.892 1.00 0.00 N ATOM 1355 CA GLN A 82 9.527 -0.476 4.264 1.00 0.00 C ATOM 1356 C GLN A 82 8.953 0.526 5.267 1.00 0.00 C ATOM 1357 O GLN A 82 8.892 1.711 5.011 1.00 0.00 O ATOM 1358 CB GLN A 82 11.055 -0.406 4.290 1.00 0.00 C ATOM 1359 CG GLN A 82 11.545 -0.467 5.738 1.00 0.00 C ATOM 1360 CD GLN A 82 13.028 -0.841 5.760 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.559 -1.325 4.781 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.723 -0.634 6.845 1.00 0.00 N ATOM 0 H GLN A 82 9.069 0.828 2.633 1.00 0.00 H new ATOM 0 HA GLN A 82 9.202 -1.480 4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.477 -1.232 3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.395 0.516 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.395 0.497 6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 82 10.966 -1.201 6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.276 -0.227 7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.713 -0.879 6.871 1.00 0.00 H new ATOM 1371 N ALA A 83 8.534 0.054 6.410 1.00 0.00 N ATOM 1372 CA ALA A 83 7.966 0.975 7.434 1.00 0.00 C ATOM 1373 C ALA A 83 9.088 1.476 8.347 1.00 0.00 C ATOM 1374 O ALA A 83 9.706 2.489 8.088 1.00 0.00 O ATOM 1375 CB ALA A 83 6.923 0.229 8.269 1.00 0.00 C ATOM 0 H ALA A 83 8.561 -0.930 6.678 1.00 0.00 H new ATOM 0 HA ALA A 83 7.494 1.824 6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.507 0.903 9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.124 -0.128 7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.394 -0.620 8.765 1.00 0.00 H new ATOM 1381 N ALA A 84 9.358 0.772 9.414 1.00 0.00 N ATOM 1382 CA ALA A 84 10.442 1.210 10.339 1.00 0.00 C ATOM 1383 C ALA A 84 10.772 0.082 11.311 1.00 0.00 C ATOM 1384 O ALA A 84 11.916 -0.278 11.505 1.00 0.00 O ATOM 1385 CB ALA A 84 9.979 2.441 11.122 1.00 0.00 C ATOM 0 H ALA A 84 8.876 -0.085 9.684 1.00 0.00 H new ATOM 0 HA ALA A 84 11.332 1.461 9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.772 2.761 11.798 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.747 3.248 10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.088 2.192 11.699 1.00 0.00 H new ATOM 1391 N PHE A 85 9.772 -0.472 11.917 1.00 0.00 N ATOM 1392 CA PHE A 85 10.000 -1.586 12.886 1.00 0.00 C ATOM 1393 C PHE A 85 8.939 -2.664 12.669 1.00 0.00 C ATOM 1394 O PHE A 85 7.996 -2.480 11.926 1.00 0.00 O ATOM 1395 CB PHE A 85 9.913 -1.070 14.333 1.00 0.00 C ATOM 1396 CG PHE A 85 9.564 0.401 14.354 1.00 0.00 C ATOM 1397 CD1 PHE A 85 8.225 0.806 14.265 1.00 0.00 C ATOM 1398 CD2 PHE A 85 10.579 1.361 14.463 1.00 0.00 C ATOM 1399 CE1 PHE A 85 7.901 2.168 14.286 1.00 0.00 C ATOM 1400 CE2 PHE A 85 10.255 2.725 14.484 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.916 3.128 14.395 1.00 0.00 C ATOM 0 H PHE A 85 8.796 -0.205 11.788 1.00 0.00 H new ATOM 0 HA PHE A 85 10.995 -2.000 12.721 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.160 -1.636 14.882 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.865 -1.231 14.840 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.442 0.067 14.180 1.00 0.00 H new ATOM 0 HD2 PHE A 85 11.611 1.050 14.531 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.869 2.479 14.218 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.037 3.465 14.569 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.666 4.179 14.410 1.00 0.00 H new ATOM 1411 N LEU A 86 9.085 -3.791 13.309 1.00 0.00 N ATOM 1412 CA LEU A 86 8.083 -4.878 13.132 1.00 0.00 C ATOM 1413 C LEU A 86 6.681 -4.339 13.416 1.00 0.00 C ATOM 1414 O LEU A 86 5.741 -4.632 12.710 1.00 0.00 O ATOM 1415 CB LEU A 86 8.385 -6.025 14.096 1.00 0.00 C ATOM 1416 CG LEU A 86 7.223 -7.020 14.072 1.00 0.00 C ATOM 1417 CD1 LEU A 86 6.957 -7.457 12.630 1.00 0.00 C ATOM 1418 CD2 LEU A 86 7.580 -8.244 14.916 1.00 0.00 C ATOM 0 H LEU A 86 9.853 -4.006 13.945 1.00 0.00 H new ATOM 0 HA LEU A 86 8.134 -5.242 12.106 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.312 -6.522 13.810 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.529 -5.640 15.105 1.00 0.00 H new ATOM 0 HG LEU A 86 6.331 -6.545 14.480 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.129 -8.166 12.611 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.702 -6.586 12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.850 -7.931 12.223 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.752 -8.952 14.898 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.472 -8.719 14.509 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.771 -7.934 15.944 1.00 0.00 H new ATOM 1430 N GLU A 87 6.529 -3.556 14.448 1.00 0.00 N ATOM 1431 CA GLU A 87 5.181 -3.009 14.769 1.00 0.00 C ATOM 1432 C GLU A 87 4.600 -2.321 13.532 1.00 0.00 C ATOM 1433 O GLU A 87 3.551 -2.689 13.042 1.00 0.00 O ATOM 1434 CB GLU A 87 5.299 -1.994 15.910 1.00 0.00 C ATOM 1435 CG GLU A 87 4.091 -2.128 16.839 1.00 0.00 C ATOM 1436 CD GLU A 87 3.932 -0.846 17.658 1.00 0.00 C ATOM 1437 OE1 GLU A 87 4.810 -0.563 18.457 1.00 0.00 O ATOM 1438 OE2 GLU A 87 2.936 -0.166 17.471 1.00 0.00 O ATOM 0 H GLU A 87 7.277 -3.272 15.081 1.00 0.00 H new ATOM 0 HA GLU A 87 4.523 -3.823 15.074 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.220 -2.163 16.467 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.351 -0.982 15.507 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.189 -2.314 16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.223 -2.982 17.503 1.00 0.00 H new ATOM 1445 N GLU A 88 5.274 -1.328 13.022 1.00 0.00 N ATOM 1446 CA GLU A 88 4.758 -0.624 11.816 1.00 0.00 C ATOM 1447 C GLU A 88 4.755 -1.590 10.630 1.00 0.00 C ATOM 1448 O GLU A 88 4.133 -1.342 9.616 1.00 0.00 O ATOM 1449 CB GLU A 88 5.658 0.574 11.500 1.00 0.00 C ATOM 1450 CG GLU A 88 4.838 1.659 10.799 1.00 0.00 C ATOM 1451 CD GLU A 88 5.601 2.984 10.847 1.00 0.00 C ATOM 1452 OE1 GLU A 88 6.753 2.996 10.447 1.00 0.00 O ATOM 1453 OE2 GLU A 88 5.019 3.964 11.282 1.00 0.00 O ATOM 0 H GLU A 88 6.158 -0.974 13.388 1.00 0.00 H new ATOM 0 HA GLU A 88 3.743 -0.273 12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.092 0.968 12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.487 0.262 10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.647 1.374 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.868 1.768 11.284 1.00 0.00 H new ATOM 1460 N ARG A 89 5.445 -2.690 10.752 1.00 0.00 N ATOM 1461 CA ARG A 89 5.482 -3.675 9.635 1.00 0.00 C ATOM 1462 C ARG A 89 4.128 -4.380 9.533 1.00 0.00 C ATOM 1463 O ARG A 89 3.416 -4.236 8.559 1.00 0.00 O ATOM 1464 CB ARG A 89 6.578 -4.708 9.905 1.00 0.00 C ATOM 1465 CG ARG A 89 6.999 -5.364 8.588 1.00 0.00 C ATOM 1466 CD ARG A 89 6.084 -6.555 8.296 1.00 0.00 C ATOM 1467 NE ARG A 89 6.769 -7.816 8.696 1.00 0.00 N ATOM 1468 CZ ARG A 89 6.219 -8.606 9.578 1.00 0.00 C ATOM 1469 NH1 ARG A 89 4.929 -8.795 9.570 1.00 0.00 N ATOM 1470 NH2 ARG A 89 6.961 -9.206 10.468 1.00 0.00 N ATOM 0 H ARG A 89 5.985 -2.949 11.577 1.00 0.00 H new ATOM 0 HA ARG A 89 5.693 -3.158 8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.436 -4.228 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.215 -5.465 10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 89 6.943 -4.640 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.036 -5.695 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.146 -6.449 8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.835 -6.584 7.235 1.00 0.00 H new ATOM 0 HE ARG A 89 7.668 -8.062 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.349 -8.326 8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.500 -9.412 10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.970 -9.058 10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.532 -9.823 11.157 1.00 0.00 H new ATOM 1484 N ASP A 90 3.765 -5.138 10.531 1.00 0.00 N ATOM 1485 CA ASP A 90 2.455 -5.847 10.487 1.00 0.00 C ATOM 1486 C ASP A 90 1.323 -4.826 10.609 1.00 0.00 C ATOM 1487 O ASP A 90 0.168 -5.137 10.395 1.00 0.00 O ATOM 1488 CB ASP A 90 2.373 -6.839 11.650 1.00 0.00 C ATOM 1489 CG ASP A 90 2.052 -8.234 11.110 1.00 0.00 C ATOM 1490 OD1 ASP A 90 2.377 -8.493 9.963 1.00 0.00 O ATOM 1491 OD2 ASP A 90 1.485 -9.018 11.851 1.00 0.00 O ATOM 0 H ASP A 90 4.318 -5.297 11.373 1.00 0.00 H new ATOM 0 HA ASP A 90 2.362 -6.385 9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.317 -6.857 12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.604 -6.525 12.356 1.00 0.00 H new ATOM 1496 N ALA A 91 1.644 -3.607 10.948 1.00 0.00 N ATOM 1497 CA ALA A 91 0.585 -2.568 11.080 1.00 0.00 C ATOM 1498 C ALA A 91 0.223 -2.037 9.690 1.00 0.00 C ATOM 1499 O ALA A 91 -0.931 -1.821 9.380 1.00 0.00 O ATOM 1500 CB ALA A 91 1.103 -1.417 11.947 1.00 0.00 C ATOM 0 H ALA A 91 2.593 -3.286 11.139 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.298 -3.003 11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.328 -0.657 12.043 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.365 -1.795 12.935 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.985 -0.979 11.480 1.00 0.00 H new ATOM 1506 N TRP A 92 1.201 -1.831 8.851 1.00 0.00 N ATOM 1507 CA TRP A 92 0.916 -1.322 7.485 1.00 0.00 C ATOM 1508 C TRP A 92 0.431 -2.480 6.608 1.00 0.00 C ATOM 1509 O TRP A 92 -0.324 -2.291 5.676 1.00 0.00 O ATOM 1510 CB TRP A 92 2.198 -0.732 6.900 1.00 0.00 C ATOM 1511 CG TRP A 92 2.152 0.760 6.993 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.512 1.480 8.081 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.732 1.726 5.985 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.338 2.824 7.806 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.859 3.028 6.528 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.257 1.601 4.665 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.525 4.164 5.788 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.922 2.743 3.918 1.00 0.00 C ATOM 1519 CH2 TRP A 92 1.055 4.022 4.479 1.00 0.00 C ATOM 0 H TRP A 92 2.187 -1.994 9.056 1.00 0.00 H new ATOM 0 HA TRP A 92 0.145 -0.553 7.524 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.065 -1.113 7.439 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.310 -1.038 5.860 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.876 1.071 9.012 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.539 3.574 8.468 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.150 0.621 4.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.629 5.146 6.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.560 2.636 2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.795 4.896 3.900 1.00 0.00 H new ATOM 1530 N VAL A 93 0.859 -3.679 6.904 1.00 0.00 N ATOM 1531 CA VAL A 93 0.419 -4.851 6.093 1.00 0.00 C ATOM 1532 C VAL A 93 -1.055 -5.139 6.388 1.00 0.00 C ATOM 1533 O VAL A 93 -1.822 -5.475 5.508 1.00 0.00 O ATOM 1534 CB VAL A 93 1.266 -6.075 6.462 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.739 -5.674 6.536 1.00 0.00 C ATOM 1536 CG2 VAL A 93 0.820 -6.619 7.821 1.00 0.00 C ATOM 0 H VAL A 93 1.494 -3.897 7.672 1.00 0.00 H new ATOM 0 HA VAL A 93 0.545 -4.633 5.032 1.00 0.00 H new ATOM 0 HB VAL A 93 1.135 -6.845 5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.340 -6.544 6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.060 -5.289 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.868 -4.902 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.424 -7.489 8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.948 -5.848 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.230 -6.908 7.771 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.454 -5.010 7.625 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.876 -5.275 7.981 1.00 0.00 C ATOM 1548 C ARG A 94 -3.739 -4.084 7.562 1.00 0.00 C ATOM 1549 O ARG A 94 -4.931 -4.209 7.366 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.995 -5.490 9.493 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.700 -4.179 10.229 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.363 -4.208 11.608 1.00 0.00 C ATOM 1553 NE ARG A 94 -4.257 -3.026 11.753 1.00 0.00 N ATOM 1554 CZ ARG A 94 -5.253 -3.059 12.597 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -5.048 -3.412 13.836 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -6.455 -2.739 12.200 1.00 0.00 N ATOM 0 H ARG A 94 -0.856 -4.733 8.403 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.219 -6.170 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.997 -5.840 9.742 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.298 -6.263 9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.624 -4.043 10.334 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.074 -3.333 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.936 -5.128 11.729 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.603 -4.201 12.389 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.091 -2.190 11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.109 -3.662 14.146 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.827 -3.437 14.495 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.616 -2.463 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.233 -2.765 12.859 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.149 -2.927 7.428 1.00 0.00 N ATOM 1571 CA ASP A 95 -3.942 -1.731 7.026 1.00 0.00 C ATOM 1572 C ASP A 95 -4.236 -1.788 5.527 1.00 0.00 C ATOM 1573 O ASP A 95 -5.367 -1.666 5.105 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.151 -0.461 7.343 1.00 0.00 C ATOM 1575 CG ASP A 95 -3.903 0.356 8.393 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -4.934 0.916 8.053 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -3.437 0.412 9.518 1.00 0.00 O ATOM 0 H ASP A 95 -2.154 -2.759 7.579 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.882 -1.721 7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.158 -0.720 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.012 0.130 6.438 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.230 -1.971 4.717 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.464 -2.034 3.248 1.00 0.00 C ATOM 1584 C ILE A 96 -4.135 -3.366 2.903 1.00 0.00 C ATOM 1585 O ILE A 96 -4.926 -3.455 1.983 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.128 -1.910 2.507 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.620 -0.469 2.635 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.331 -2.256 1.030 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.277 -0.311 1.913 1.00 0.00 C ATOM 0 H ILE A 96 -2.259 -2.079 5.008 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.113 -1.213 2.943 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.399 -2.596 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.351 0.220 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.508 -0.208 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.382 -2.168 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.701 -3.277 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.055 -1.569 0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.071 0.717 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.455 -0.986 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.401 -0.551 0.857 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.836 -4.401 3.639 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.464 -5.723 3.357 1.00 0.00 C ATOM 1603 C ASN A 97 -5.888 -5.735 3.911 1.00 0.00 C ATOM 1604 O ASN A 97 -6.755 -6.417 3.405 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.646 -6.830 4.025 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.281 -8.188 3.721 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -5.369 -8.478 4.177 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.643 -9.039 2.964 1.00 0.00 N ATOM 0 H ASN A 97 -3.184 -4.389 4.423 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.490 -5.892 2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.619 -6.807 3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.607 -6.668 5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.058 -9.947 2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.729 -8.796 2.581 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.138 -4.981 4.947 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.510 -4.946 5.530 1.00 0.00 C ATOM 1617 C LYS A 98 -8.415 -4.104 4.630 1.00 0.00 C ATOM 1618 O LYS A 98 -9.546 -4.459 4.363 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.457 -4.327 6.927 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.878 -4.158 7.465 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.147 -2.677 7.741 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.709 -2.515 9.155 1.00 0.00 C ATOM 1623 NZ LYS A 98 -11.159 -2.179 9.077 1.00 0.00 N ATOM 0 H LYS A 98 -5.452 -4.388 5.415 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.905 -5.960 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.877 -4.963 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.954 -3.361 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.599 -4.541 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.003 -4.738 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.226 -2.104 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.853 -2.282 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.568 -3.435 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.170 -1.729 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.542 -2.069 10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.282 -1.290 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.667 -2.943 8.588 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.923 -2.994 4.154 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.750 -2.134 3.264 1.00 0.00 C ATOM 1639 C ALA A 99 -9.052 -2.902 1.978 1.00 0.00 C ATOM 1640 O ALA A 99 -10.125 -2.801 1.417 1.00 0.00 O ATOM 1641 CB ALA A 99 -7.982 -0.854 2.929 1.00 0.00 C ATOM 0 H ALA A 99 -6.983 -2.646 4.343 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.681 -1.870 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.589 -0.226 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.758 -0.313 3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.052 -1.110 2.422 1.00 0.00 H new ATOM 1647 N ILE A 100 -8.112 -3.679 1.512 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.344 -4.465 0.269 1.00 0.00 C ATOM 1649 C ILE A 100 -9.243 -5.660 0.592 1.00 0.00 C ATOM 1650 O ILE A 100 -10.019 -6.105 -0.230 1.00 0.00 O ATOM 1651 CB ILE A 100 -7.000 -4.957 -0.280 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -6.260 -3.792 -0.940 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -7.238 -6.058 -1.317 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.781 -3.840 -0.553 1.00 0.00 C ATOM 0 H ILE A 100 -7.194 -3.803 1.939 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.829 -3.839 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.401 -5.354 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.365 -3.848 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.698 -2.845 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.281 -6.405 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.764 -6.891 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.840 -5.663 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.255 -3.010 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.686 -3.763 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.347 -4.782 -0.889 1.00 0.00 H new ATOM 1666 N LYS A 101 -9.148 -6.183 1.786 1.00 0.00 N ATOM 1667 CA LYS A 101 -10.004 -7.347 2.157 1.00 0.00 C ATOM 1668 C LYS A 101 -11.380 -6.849 2.598 1.00 0.00 C ATOM 1669 O LYS A 101 -12.316 -7.614 2.730 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.350 -8.125 3.301 1.00 0.00 C ATOM 1671 CG LYS A 101 -9.346 -9.618 2.965 1.00 0.00 C ATOM 1672 CD LYS A 101 -10.372 -10.341 3.839 1.00 0.00 C ATOM 1673 CE LYS A 101 -10.658 -11.724 3.252 1.00 0.00 C ATOM 1674 NZ LYS A 101 -11.085 -12.647 4.340 1.00 0.00 N ATOM 0 H LYS A 101 -8.517 -5.856 2.518 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.115 -8.003 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.330 -7.774 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.893 -7.952 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.582 -9.765 1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.353 -10.036 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.995 -10.437 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.293 -9.760 3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.437 -11.655 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.767 -12.113 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.280 -13.588 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.328 -12.722 5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.946 -12.277 4.791 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.510 -5.574 2.821 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.827 -5.020 3.246 1.00 0.00 C ATOM 1690 C CYS A 102 -13.590 -4.550 2.008 1.00 0.00 C ATOM 1691 O CYS A 102 -14.804 -4.542 1.976 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.607 -3.836 4.190 1.00 0.00 C ATOM 1693 SG CYS A 102 -12.337 -4.448 5.873 1.00 0.00 S ATOM 0 H CYS A 102 -10.761 -4.888 2.728 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.399 -5.789 3.764 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.748 -3.251 3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -13.472 -3.173 4.167 1.00 0.00 H new ATOM 0 HG CYS A 102 -12.148 -3.443 6.675 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.880 -4.160 0.985 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.541 -3.691 -0.256 1.00 0.00 C ATOM 1701 C ILE A 103 -14.313 -4.856 -0.892 1.00 0.00 C ATOM 1702 O ILE A 103 -15.351 -4.670 -1.497 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.452 -3.160 -1.206 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.993 -1.979 -2.007 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -11.989 -4.258 -2.172 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.571 -0.926 -1.057 1.00 0.00 C ATOM 0 H ILE A 103 -11.860 -4.148 0.960 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.252 -2.893 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.602 -2.839 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.196 -1.541 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.764 -2.320 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.220 -3.860 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.582 -5.094 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.836 -4.601 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.955 -0.086 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.381 -1.366 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.789 -0.575 -0.383 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.813 -6.056 -0.756 1.00 0.00 N ATOM 1719 CA GLU A 104 -14.517 -7.231 -1.348 1.00 0.00 C ATOM 1720 C GLU A 104 -15.796 -7.508 -0.559 1.00 0.00 C ATOM 1721 O GLU A 104 -16.650 -8.261 -0.981 1.00 0.00 O ATOM 1722 CB GLU A 104 -13.605 -8.457 -1.286 1.00 0.00 C ATOM 1723 CG GLU A 104 -12.202 -8.079 -1.764 1.00 0.00 C ATOM 1724 CD GLU A 104 -11.945 -8.705 -3.136 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.598 -9.874 -3.177 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -12.100 -8.004 -4.124 1.00 0.00 O ATOM 0 H GLU A 104 -12.948 -6.273 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.769 -7.018 -2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.562 -8.839 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -14.009 -9.255 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.106 -6.995 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.457 -8.426 -1.049 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.934 -6.898 0.582 1.00 0.00 N ATOM 1734 CA GLY A 105 -17.156 -7.113 1.407 1.00 0.00 C ATOM 1735 C GLY A 105 -17.961 -5.813 1.467 1.00 0.00 C ATOM 1736 O GLY A 105 -18.940 -5.708 2.179 1.00 0.00 O ATOM 0 H GLY A 105 -15.250 -6.256 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.763 -7.910 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.879 -7.429 2.413 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.553 -4.823 0.720 1.00 0.00 N ATOM 1741 CA LEU A 106 -18.289 -3.531 0.726 1.00 0.00 C ATOM 1742 C LEU A 106 -19.355 -3.559 -0.362 1.00 0.00 C ATOM 1743 O LEU A 106 -19.420 -2.698 -1.216 1.00 0.00 O ATOM 1744 CB LEU A 106 -17.311 -2.384 0.465 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.633 -1.212 1.392 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -19.100 -0.815 1.226 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.378 -1.627 2.843 1.00 0.00 C ATOM 0 H LEU A 106 -16.740 -4.856 0.105 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.763 -3.381 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -16.288 -2.721 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -17.377 -2.066 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.998 -0.363 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -19.328 0.021 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -19.282 -0.520 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.737 -1.662 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.607 -0.792 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.013 -2.476 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.332 -1.909 2.962 1.00 0.00 H new