USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=23 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 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -120:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0.758 (180deg=0.634) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.4! C(o=-2.4!,f=-8.5!) USER MOD Single : A 20 THR OG1 : rot 170:sc= 0.013 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.0288 (180deg=-0.425) USER MOD Single : A 24 MET CE :methyl 175:sc= -6.19! (180deg=-6.57!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.28 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 0.95 (180deg=0.486) USER MOD Single : A 40 SER OG : rot 180:sc= -0.149 USER MOD Single : A 42 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.742 (180deg=-0.963) USER MOD Single : A 47 MET CE :methyl -171:sc= -0.0277 (180deg=-0.249) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 170:sc= -0.319 USER MOD Single : A 54 THR OG1 : rot 44:sc= -2.76! USER MOD Single : A 56 THR OG1 : rot 92:sc= 0.0335 USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 59 CYS SG : rot 80:sc= -0.718 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 72 THR OG1 : rot 7:sc= 0.166 USER MOD Single : A 73 THR OG1 : rot -179:sc= -1.9! USER MOD Single : A 74 THR OG1 : rot 6:sc= 0.42! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 77 GLN : amide:sc= 0.285 K(o=0.28,f=-1.7!) USER MOD Single : A 79 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-1.7) USER MOD Single : A 82 GLN : amide:sc= -2.08 K(o=-2.1,f=-1.4) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 98 LYS NZ :NH3+ 145:sc= -0.314 (180deg=-1.59!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.191 9.560 4.396 1.00 0.00 N ATOM 72 CA ARG A 5 -7.577 8.249 4.041 1.00 0.00 C ATOM 73 C ARG A 5 -7.411 7.407 5.308 1.00 0.00 C ATOM 74 O ARG A 5 -7.196 7.926 6.386 1.00 0.00 O ATOM 75 CB ARG A 5 -6.207 8.486 3.401 1.00 0.00 C ATOM 76 CG ARG A 5 -6.368 9.363 2.156 1.00 0.00 C ATOM 77 CD ARG A 5 -5.818 10.763 2.438 1.00 0.00 C ATOM 78 NE ARG A 5 -6.681 11.778 1.772 1.00 0.00 N ATOM 79 CZ ARG A 5 -6.393 13.047 1.872 1.00 0.00 C ATOM 80 NH1 ARG A 5 -5.750 13.490 2.918 1.00 0.00 N ATOM 81 NH2 ARG A 5 -6.748 13.874 0.928 1.00 0.00 N ATOM 0 HA ARG A 5 -8.220 7.722 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.539 8.969 4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.750 7.534 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.839 8.917 1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.420 9.424 1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.788 10.944 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.794 10.844 2.072 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.497 11.481 1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.473 12.844 3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.525 14.482 2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.251 13.529 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.522 14.866 1.007 1.00 0.00 H new ATOM 95 N ILE A 6 -7.509 6.110 5.190 1.00 0.00 N ATOM 96 CA ILE A 6 -7.359 5.240 6.390 1.00 0.00 C ATOM 97 C ILE A 6 -5.920 5.321 6.907 1.00 0.00 C ATOM 98 O ILE A 6 -5.656 5.889 7.948 1.00 0.00 O ATOM 99 CB ILE A 6 -7.691 3.793 6.018 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.204 3.650 5.833 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.228 2.856 7.135 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.543 3.679 4.343 1.00 0.00 C ATOM 0 H ILE A 6 -7.686 5.617 4.315 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.041 5.578 7.170 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.181 3.532 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.548 2.716 6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.722 4.458 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.465 1.826 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.151 2.956 7.271 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.737 3.117 8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.620 3.577 4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.213 4.625 3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.037 2.856 3.839 1.00 0.00 H new ATOM 114 N ARG A 7 -4.986 4.752 6.192 1.00 0.00 N ATOM 115 CA ARG A 7 -3.570 4.797 6.655 1.00 0.00 C ATOM 116 C ARG A 7 -2.764 5.761 5.786 1.00 0.00 C ATOM 117 O ARG A 7 -2.725 5.639 4.579 1.00 0.00 O ATOM 118 CB ARG A 7 -2.951 3.405 6.553 1.00 0.00 C ATOM 119 CG ARG A 7 -1.740 3.321 7.481 1.00 0.00 C ATOM 120 CD ARG A 7 -2.162 2.706 8.813 1.00 0.00 C ATOM 121 NE ARG A 7 -2.512 3.790 9.772 1.00 0.00 N ATOM 122 CZ ARG A 7 -2.677 3.516 11.038 1.00 0.00 C ATOM 123 NH1 ARG A 7 -1.638 3.363 11.812 1.00 0.00 N ATOM 124 NH2 ARG A 7 -3.881 3.394 11.528 1.00 0.00 N ATOM 0 H ARG A 7 -5.142 4.261 5.312 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.551 5.137 7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.685 2.647 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.650 3.203 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.957 2.718 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.323 4.315 7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.017 2.046 8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.354 2.096 9.216 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.623 4.748 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.698 3.457 11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.766 3.149 12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.693 3.513 10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.010 3.180 12.517 1.00 0.00 H new ATOM 138 N GLU A 8 -2.103 6.708 6.392 1.00 0.00 N ATOM 139 CA GLU A 8 -1.282 7.663 5.600 1.00 0.00 C ATOM 140 C GLU A 8 -0.051 8.052 6.406 1.00 0.00 C ATOM 141 O GLU A 8 -0.146 8.547 7.512 1.00 0.00 O ATOM 142 CB GLU A 8 -2.086 8.916 5.270 1.00 0.00 C ATOM 143 CG GLU A 8 -2.878 9.361 6.499 1.00 0.00 C ATOM 144 CD GLU A 8 -4.297 8.794 6.430 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.450 7.694 5.926 1.00 0.00 O ATOM 146 OE2 GLU A 8 -5.206 9.470 6.883 1.00 0.00 O ATOM 0 H GLU A 8 -2.096 6.861 7.400 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.984 7.183 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.417 9.714 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.765 8.716 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.382 9.018 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.913 10.449 6.547 1.00 0.00 H new ATOM 153 N GLY A 9 1.102 7.830 5.858 1.00 0.00 N ATOM 154 CA GLY A 9 2.349 8.180 6.579 1.00 0.00 C ATOM 155 C GLY A 9 3.487 8.302 5.573 1.00 0.00 C ATOM 156 O GLY A 9 3.290 8.692 4.441 1.00 0.00 O ATOM 0 H GLY A 9 1.237 7.418 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.221 9.119 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.582 7.416 7.320 1.00 0.00 H new ATOM 160 N TYR A 10 4.674 7.965 5.974 1.00 0.00 N ATOM 161 CA TYR A 10 5.827 8.062 5.040 1.00 0.00 C ATOM 162 C TYR A 10 6.744 6.852 5.219 1.00 0.00 C ATOM 163 O TYR A 10 7.560 6.807 6.118 1.00 0.00 O ATOM 164 CB TYR A 10 6.613 9.343 5.330 1.00 0.00 C ATOM 165 CG TYR A 10 7.193 9.278 6.721 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.355 9.420 7.837 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.568 9.076 6.900 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.893 9.360 9.129 1.00 0.00 C ATOM 169 CE2 TYR A 10 9.106 9.017 8.192 1.00 0.00 C ATOM 170 CZ TYR A 10 8.268 9.159 9.307 1.00 0.00 C ATOM 171 OH TYR A 10 8.798 9.101 10.580 1.00 0.00 O ATOM 0 H TYR A 10 4.899 7.626 6.909 1.00 0.00 H new ATOM 0 HA TYR A 10 5.456 8.084 4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.411 9.465 4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.960 10.211 5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.295 9.576 7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.213 8.966 6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.248 9.469 9.988 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.166 8.862 8.329 1.00 0.00 H new ATOM 0 HH TYR A 10 9.766 8.956 10.525 1.00 0.00 H new ATOM 181 N LEU A 11 6.632 5.881 4.358 1.00 0.00 N ATOM 182 CA LEU A 11 7.517 4.688 4.469 1.00 0.00 C ATOM 183 C LEU A 11 8.564 4.774 3.361 1.00 0.00 C ATOM 184 O LEU A 11 9.029 5.844 3.033 1.00 0.00 O ATOM 185 CB LEU A 11 6.700 3.395 4.315 1.00 0.00 C ATOM 186 CG LEU A 11 5.439 3.417 5.202 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.646 4.309 6.430 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.255 3.932 4.381 1.00 0.00 C ATOM 0 H LEU A 11 5.968 5.861 3.584 1.00 0.00 H new ATOM 0 HA LEU A 11 7.995 4.670 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.411 3.268 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.319 2.538 4.581 1.00 0.00 H new ATOM 0 HG LEU A 11 5.238 2.404 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.741 4.306 7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.481 3.929 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.864 5.327 6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.361 3.949 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.470 4.940 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.090 3.274 3.528 1.00 0.00 H new ATOM 200 N VAL A 12 8.939 3.668 2.776 1.00 0.00 N ATOM 201 CA VAL A 12 9.951 3.717 1.684 1.00 0.00 C ATOM 202 C VAL A 12 9.698 2.577 0.697 1.00 0.00 C ATOM 203 O VAL A 12 9.565 1.432 1.077 1.00 0.00 O ATOM 204 CB VAL A 12 11.349 3.580 2.283 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.468 2.240 3.004 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.393 3.654 1.166 1.00 0.00 C ATOM 0 H VAL A 12 8.590 2.738 3.006 1.00 0.00 H new ATOM 0 HA VAL A 12 9.874 4.669 1.158 1.00 0.00 H new ATOM 0 HB VAL A 12 11.519 4.389 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.466 2.144 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.726 2.188 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.297 1.429 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.391 3.556 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.222 2.846 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.310 4.612 0.654 1.00 0.00 H new ATOM 216 N LYS A 13 9.627 2.883 -0.571 1.00 0.00 N ATOM 217 CA LYS A 13 9.378 1.815 -1.582 1.00 0.00 C ATOM 218 C LYS A 13 10.587 1.701 -2.511 1.00 0.00 C ATOM 219 O LYS A 13 11.469 2.535 -2.500 1.00 0.00 O ATOM 220 CB LYS A 13 8.136 2.173 -2.403 1.00 0.00 C ATOM 221 CG LYS A 13 7.198 0.964 -2.482 1.00 0.00 C ATOM 222 CD LYS A 13 5.808 1.365 -1.977 1.00 0.00 C ATOM 223 CE LYS A 13 4.885 0.144 -1.972 1.00 0.00 C ATOM 224 NZ LYS A 13 3.700 0.423 -1.113 1.00 0.00 N ATOM 0 H LYS A 13 9.730 3.824 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 13 9.219 0.863 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.618 3.017 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.429 2.483 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.134 0.606 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.592 0.144 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.882 1.780 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.391 2.145 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.565 -0.088 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.421 -0.729 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.055 -0.393 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.012 0.591 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.205 1.266 -1.468 1.00 0.00 H new ATOM 238 N LYS A 14 10.636 0.675 -3.319 1.00 0.00 N ATOM 239 CA LYS A 14 11.791 0.519 -4.245 1.00 0.00 C ATOM 240 C LYS A 14 11.279 0.370 -5.681 1.00 0.00 C ATOM 241 O LYS A 14 10.217 -0.168 -5.921 1.00 0.00 O ATOM 242 CB LYS A 14 12.619 -0.713 -3.829 1.00 0.00 C ATOM 243 CG LYS A 14 12.151 -1.966 -4.581 1.00 0.00 C ATOM 244 CD LYS A 14 12.939 -2.103 -5.885 1.00 0.00 C ATOM 245 CE LYS A 14 12.596 -3.437 -6.551 1.00 0.00 C ATOM 246 NZ LYS A 14 11.727 -3.189 -7.737 1.00 0.00 N ATOM 0 H LYS A 14 9.929 -0.058 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 14 12.429 1.401 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.674 -0.533 -4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.526 -0.873 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.297 -2.851 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.084 -1.898 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.700 -1.278 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.009 -2.050 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.509 -3.949 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.086 -4.089 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.493 -4.095 -8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.851 -2.717 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.230 -2.582 -8.415 1.00 0.00 H new ATOM 260 N GLY A 15 12.029 0.843 -6.639 1.00 0.00 N ATOM 261 CA GLY A 15 11.585 0.728 -8.057 1.00 0.00 C ATOM 262 C GLY A 15 11.350 2.124 -8.634 1.00 0.00 C ATOM 263 O GLY A 15 10.393 2.793 -8.297 1.00 0.00 O ATOM 0 H GLY A 15 12.929 1.303 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.339 0.203 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.669 0.140 -8.116 1.00 0.00 H new ATOM 267 N SER A 16 12.217 2.569 -9.502 1.00 0.00 N ATOM 268 CA SER A 16 12.045 3.921 -10.103 1.00 0.00 C ATOM 269 C SER A 16 13.230 4.219 -11.022 1.00 0.00 C ATOM 270 O SER A 16 13.102 4.908 -12.014 1.00 0.00 O ATOM 271 CB SER A 16 11.983 4.970 -8.992 1.00 0.00 C ATOM 272 OG SER A 16 13.042 4.741 -8.072 1.00 0.00 O ATOM 0 H SER A 16 13.038 2.054 -9.821 1.00 0.00 H new ATOM 0 HA SER A 16 11.120 3.950 -10.679 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.064 5.971 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.022 4.918 -8.479 1.00 0.00 H new ATOM 0 HG SER A 16 13.007 5.412 -7.359 1.00 0.00 H new ATOM 278 N VAL A 17 14.385 3.702 -10.700 1.00 0.00 N ATOM 279 CA VAL A 17 15.579 3.953 -11.554 1.00 0.00 C ATOM 280 C VAL A 17 16.444 2.691 -11.601 1.00 0.00 C ATOM 281 O VAL A 17 16.983 2.334 -12.631 1.00 0.00 O ATOM 282 CB VAL A 17 16.394 5.109 -10.971 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.608 6.412 -11.113 1.00 0.00 C ATOM 284 CG2 VAL A 17 16.671 4.839 -9.491 1.00 0.00 C ATOM 0 H VAL A 17 14.552 3.116 -9.882 1.00 0.00 H new ATOM 0 HA VAL A 17 15.256 4.212 -12.562 1.00 0.00 H new ATOM 0 HB VAL A 17 17.338 5.196 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.190 7.235 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.410 6.604 -12.167 1.00 0.00 H new ATOM 0 HG13 VAL A 17 14.663 6.328 -10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.252 5.662 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 17 15.726 4.752 -8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.233 3.910 -9.389 1.00 0.00 H new ATOM 294 N PHE A 18 16.582 2.012 -10.494 1.00 0.00 N ATOM 295 CA PHE A 18 17.413 0.775 -10.480 1.00 0.00 C ATOM 296 C PHE A 18 17.183 0.016 -9.170 1.00 0.00 C ATOM 297 O PHE A 18 18.093 -0.183 -8.390 1.00 0.00 O ATOM 298 CB PHE A 18 18.891 1.154 -10.595 1.00 0.00 C ATOM 299 CG PHE A 18 19.288 1.206 -12.051 1.00 0.00 C ATOM 300 CD1 PHE A 18 19.004 0.123 -12.894 1.00 0.00 C ATOM 301 CD2 PHE A 18 19.940 2.337 -12.559 1.00 0.00 C ATOM 302 CE1 PHE A 18 19.372 0.172 -14.245 1.00 0.00 C ATOM 303 CE2 PHE A 18 20.309 2.385 -13.910 1.00 0.00 C ATOM 304 CZ PHE A 18 20.024 1.303 -14.754 1.00 0.00 C ATOM 0 H PHE A 18 16.156 2.260 -9.601 1.00 0.00 H new ATOM 0 HA PHE A 18 17.132 0.140 -11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 18 19.066 2.122 -10.125 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.506 0.426 -10.066 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.502 -0.749 -12.502 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.158 3.172 -11.910 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.153 -0.663 -14.895 1.00 0.00 H new ATOM 0 HE2 PHE A 18 20.813 3.256 -14.301 1.00 0.00 H new ATOM 0 HZ PHE A 18 20.307 1.341 -15.796 1.00 0.00 H new ATOM 314 N ASN A 19 15.975 -0.413 -8.923 1.00 0.00 N ATOM 315 CA ASN A 19 15.694 -1.162 -7.665 1.00 0.00 C ATOM 316 C ASN A 19 16.283 -0.402 -6.474 1.00 0.00 C ATOM 317 O ASN A 19 16.884 -0.981 -5.592 1.00 0.00 O ATOM 318 CB ASN A 19 16.332 -2.550 -7.746 1.00 0.00 C ATOM 319 CG ASN A 19 16.192 -3.095 -9.169 1.00 0.00 C ATOM 320 OD1 ASN A 19 16.668 -2.493 -10.111 1.00 0.00 O ATOM 321 ND2 ASN A 19 15.554 -4.216 -9.366 1.00 0.00 N ATOM 0 H ASN A 19 15.172 -0.277 -9.537 1.00 0.00 H new ATOM 0 HA ASN A 19 14.616 -1.262 -7.536 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.385 -2.495 -7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 19 15.851 -3.225 -7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.455 -4.587 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.154 -4.721 -8.575 1.00 0.00 H new ATOM 328 N THR A 20 16.112 0.891 -6.440 1.00 0.00 N ATOM 329 CA THR A 20 16.662 1.684 -5.305 1.00 0.00 C ATOM 330 C THR A 20 15.615 1.771 -4.194 1.00 0.00 C ATOM 331 O THR A 20 14.486 1.362 -4.362 1.00 0.00 O ATOM 332 CB THR A 20 17.008 3.094 -5.784 1.00 0.00 C ATOM 333 OG1 THR A 20 15.941 3.598 -6.575 1.00 0.00 O ATOM 334 CG2 THR A 20 18.290 3.053 -6.617 1.00 0.00 C ATOM 0 H THR A 20 15.616 1.432 -7.148 1.00 0.00 H new ATOM 0 HA THR A 20 17.561 1.198 -4.926 1.00 0.00 H new ATOM 0 HB THR A 20 17.160 3.744 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.084 4.552 -6.748 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.535 4.059 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 20 19.107 2.667 -6.008 1.00 0.00 H new ATOM 0 HG23 THR A 20 18.143 2.404 -7.480 1.00 0.00 H new ATOM 342 N TRP A 21 15.981 2.300 -3.059 1.00 0.00 N ATOM 343 CA TRP A 21 15.002 2.410 -1.940 1.00 0.00 C ATOM 344 C TRP A 21 14.940 3.858 -1.453 1.00 0.00 C ATOM 345 O TRP A 21 15.926 4.419 -1.019 1.00 0.00 O ATOM 346 CB TRP A 21 15.441 1.503 -0.791 1.00 0.00 C ATOM 347 CG TRP A 21 14.770 0.175 -0.929 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.988 -0.704 -1.933 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.774 -0.435 -0.058 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.190 -1.817 -1.733 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.425 -1.698 -0.591 1.00 0.00 C ATOM 352 CE3 TRP A 21 13.149 -0.018 1.133 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.486 -2.520 0.037 1.00 0.00 C ATOM 354 CZ3 TRP A 21 12.202 -0.841 1.766 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.872 -2.090 1.218 1.00 0.00 C ATOM 0 H TRP A 21 16.914 2.660 -2.858 1.00 0.00 H new ATOM 0 HA TRP A 21 14.016 2.105 -2.289 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.524 1.380 -0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.182 1.957 0.166 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.673 -0.561 -2.756 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.170 -2.626 -2.354 1.00 0.00 H new ATOM 0 HE3 TRP A 21 13.399 0.941 1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.236 -3.481 -0.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.726 -0.511 2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.144 -2.719 1.708 1.00 0.00 H new ATOM 366 N LYS A 22 13.788 4.468 -1.523 1.00 0.00 N ATOM 367 CA LYS A 22 13.668 5.879 -1.062 1.00 0.00 C ATOM 368 C LYS A 22 12.352 6.060 -0.286 1.00 0.00 C ATOM 369 O LYS A 22 11.299 5.676 -0.764 1.00 0.00 O ATOM 370 CB LYS A 22 13.669 6.812 -2.272 1.00 0.00 C ATOM 371 CG LYS A 22 14.977 6.641 -3.047 1.00 0.00 C ATOM 372 CD LYS A 22 15.811 7.918 -2.926 1.00 0.00 C ATOM 373 CE LYS A 22 17.233 7.650 -3.422 1.00 0.00 C ATOM 374 NZ LYS A 22 17.179 7.047 -4.783 1.00 0.00 N ATOM 0 H LYS A 22 12.928 4.051 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 22 14.510 6.117 -0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.820 6.589 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.559 7.847 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.535 5.791 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.766 6.429 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.356 8.718 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.834 8.253 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.802 8.579 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.749 6.979 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.107 7.143 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.933 6.039 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.459 7.537 -5.351 1.00 0.00 H new ATOM 388 N PRO A 23 12.447 6.638 0.892 1.00 0.00 N ATOM 389 CA PRO A 23 11.279 6.877 1.729 1.00 0.00 C ATOM 390 C PRO A 23 10.268 7.764 0.987 1.00 0.00 C ATOM 391 O PRO A 23 10.566 8.888 0.631 1.00 0.00 O ATOM 392 CB PRO A 23 11.822 7.615 2.952 1.00 0.00 C ATOM 393 CG PRO A 23 13.338 7.248 2.961 1.00 0.00 C ATOM 394 CD PRO A 23 13.727 7.074 1.469 1.00 0.00 C ATOM 0 HA PRO A 23 10.765 5.953 1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.671 8.691 2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.326 7.292 3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.930 8.033 3.433 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.517 6.332 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.084 8.003 1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.514 6.333 1.332 1.00 0.00 H new ATOM 402 N MET A 24 9.078 7.278 0.750 1.00 0.00 N ATOM 403 CA MET A 24 8.068 8.109 0.033 1.00 0.00 C ATOM 404 C MET A 24 6.792 8.225 0.868 1.00 0.00 C ATOM 405 O MET A 24 6.600 7.515 1.839 1.00 0.00 O ATOM 406 CB MET A 24 7.720 7.456 -1.304 1.00 0.00 C ATOM 407 CG MET A 24 7.074 6.095 -1.053 1.00 0.00 C ATOM 408 SD MET A 24 7.241 5.068 -2.533 1.00 0.00 S ATOM 409 CE MET A 24 5.643 5.480 -3.274 1.00 0.00 C ATOM 0 H MET A 24 8.763 6.346 1.021 1.00 0.00 H new ATOM 0 HA MET A 24 8.488 9.101 -0.133 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.040 8.095 -1.867 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.619 7.338 -1.908 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.549 5.606 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.021 6.221 -0.801 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.568 5.017 -4.258 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.840 5.110 -2.636 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.557 6.562 -3.375 1.00 0.00 H new ATOM 419 N TRP A 25 5.908 9.106 0.481 1.00 0.00 N ATOM 420 CA TRP A 25 4.632 9.261 1.230 1.00 0.00 C ATOM 421 C TRP A 25 3.601 8.330 0.620 1.00 0.00 C ATOM 422 O TRP A 25 3.601 8.083 -0.569 1.00 0.00 O ATOM 423 CB TRP A 25 4.139 10.703 1.130 1.00 0.00 C ATOM 424 CG TRP A 25 2.891 10.867 1.940 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.631 10.840 1.448 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.766 11.086 3.373 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.740 11.037 2.491 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.393 11.195 3.697 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.704 11.202 4.410 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.967 11.414 5.010 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.284 11.421 5.733 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.917 11.528 6.032 1.00 0.00 C ATOM 0 H TRP A 25 6.017 9.725 -0.323 1.00 0.00 H new ATOM 0 HA TRP A 25 4.788 9.016 2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.909 11.386 1.488 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.945 10.960 0.089 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.363 10.690 0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.274 11.062 2.381 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.758 11.122 4.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.086 11.495 5.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.016 11.507 6.523 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.598 11.698 7.050 1.00 0.00 H new ATOM 443 N VAL A 26 2.736 7.790 1.418 1.00 0.00 N ATOM 444 CA VAL A 26 1.730 6.854 0.858 1.00 0.00 C ATOM 445 C VAL A 26 0.450 6.880 1.699 1.00 0.00 C ATOM 446 O VAL A 26 0.489 6.941 2.912 1.00 0.00 O ATOM 447 CB VAL A 26 2.350 5.458 0.831 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.202 5.252 2.079 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.258 4.384 0.758 1.00 0.00 C ATOM 0 H VAL A 26 2.679 7.952 2.424 1.00 0.00 H new ATOM 0 HA VAL A 26 1.454 7.150 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 26 2.979 5.370 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.643 4.256 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.995 6.000 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.578 5.353 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.719 3.397 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.609 4.465 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.668 4.526 -0.148 1.00 0.00 H new ATOM 459 N VAL A 27 -0.689 6.840 1.055 1.00 0.00 N ATOM 460 CA VAL A 27 -1.978 6.868 1.804 1.00 0.00 C ATOM 461 C VAL A 27 -2.887 5.738 1.317 1.00 0.00 C ATOM 462 O VAL A 27 -3.565 5.866 0.315 1.00 0.00 O ATOM 463 CB VAL A 27 -2.683 8.203 1.558 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.977 9.309 2.340 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.637 8.535 0.064 1.00 0.00 C ATOM 0 H VAL A 27 -0.780 6.789 0.040 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.772 6.743 2.867 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.719 8.129 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.481 10.259 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.005 9.077 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.940 9.382 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.139 9.486 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.599 8.607 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.140 7.749 -0.499 1.00 0.00 H new ATOM 475 N LEU A 28 -2.926 4.640 2.016 1.00 0.00 N ATOM 476 CA LEU A 28 -3.814 3.529 1.579 1.00 0.00 C ATOM 477 C LEU A 28 -5.260 3.883 1.937 1.00 0.00 C ATOM 478 O LEU A 28 -5.578 4.163 3.077 1.00 0.00 O ATOM 479 CB LEU A 28 -3.396 2.221 2.268 1.00 0.00 C ATOM 480 CG LEU A 28 -3.935 2.170 3.701 1.00 0.00 C ATOM 481 CD1 LEU A 28 -5.388 1.690 3.685 1.00 0.00 C ATOM 482 CD2 LEU A 28 -3.092 1.190 4.519 1.00 0.00 C ATOM 0 H LEU A 28 -2.387 4.464 2.864 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.731 3.389 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.772 1.369 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.309 2.141 2.280 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.885 3.164 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.771 1.654 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.992 2.379 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.438 0.695 3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.470 1.149 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.150 0.198 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.054 1.524 4.530 1.00 0.00 H new ATOM 494 N LEU A 29 -6.135 3.887 0.968 1.00 0.00 N ATOM 495 CA LEU A 29 -7.556 4.234 1.251 1.00 0.00 C ATOM 496 C LEU A 29 -8.414 2.969 1.178 1.00 0.00 C ATOM 497 O LEU A 29 -7.987 1.943 0.686 1.00 0.00 O ATOM 498 CB LEU A 29 -8.050 5.255 0.222 1.00 0.00 C ATOM 499 CG LEU A 29 -7.156 6.498 0.262 1.00 0.00 C ATOM 500 CD1 LEU A 29 -6.257 6.520 -0.974 1.00 0.00 C ATOM 501 CD2 LEU A 29 -8.030 7.755 0.274 1.00 0.00 C ATOM 0 H LEU A 29 -5.927 3.665 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.633 4.665 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.036 4.817 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.083 5.530 0.435 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.540 6.472 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.621 7.405 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.634 5.625 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.874 6.546 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.394 8.640 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.645 7.779 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.674 7.742 1.154 1.00 0.00 H new ATOM 513 N GLU A 30 -9.621 3.034 1.666 1.00 0.00 N ATOM 514 CA GLU A 30 -10.506 1.838 1.636 1.00 0.00 C ATOM 515 C GLU A 30 -10.998 1.598 0.209 1.00 0.00 C ATOM 516 O GLU A 30 -11.596 0.584 -0.089 1.00 0.00 O ATOM 517 CB GLU A 30 -11.706 2.070 2.558 1.00 0.00 C ATOM 518 CG GLU A 30 -12.757 0.988 2.309 1.00 0.00 C ATOM 519 CD GLU A 30 -13.790 1.008 3.436 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.142 2.092 3.871 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.214 -0.061 3.843 1.00 0.00 O ATOM 0 H GLU A 30 -10.034 3.867 2.086 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.948 0.966 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.387 2.049 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.133 3.056 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.247 1.156 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.280 0.009 2.256 1.00 0.00 H new ATOM 528 N ASP A 31 -10.749 2.521 -0.677 1.00 0.00 N ATOM 529 CA ASP A 31 -11.202 2.338 -2.082 1.00 0.00 C ATOM 530 C ASP A 31 -9.983 2.214 -2.999 1.00 0.00 C ATOM 531 O ASP A 31 -10.107 2.131 -4.205 1.00 0.00 O ATOM 532 CB ASP A 31 -12.043 3.544 -2.508 1.00 0.00 C ATOM 533 CG ASP A 31 -11.219 4.822 -2.352 1.00 0.00 C ATOM 534 OD1 ASP A 31 -11.032 5.250 -1.225 1.00 0.00 O ATOM 535 OD2 ASP A 31 -10.788 5.352 -3.363 1.00 0.00 O ATOM 0 H ASP A 31 -10.253 3.392 -0.489 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.804 1.432 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.363 3.430 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.946 3.604 -1.900 1.00 0.00 H new ATOM 540 N GLY A 32 -8.803 2.197 -2.438 1.00 0.00 N ATOM 541 CA GLY A 32 -7.580 2.075 -3.283 1.00 0.00 C ATOM 542 C GLY A 32 -6.415 2.798 -2.605 1.00 0.00 C ATOM 543 O GLY A 32 -6.599 3.773 -1.906 1.00 0.00 O ATOM 0 H GLY A 32 -8.634 2.262 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.332 1.024 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.763 2.503 -4.269 1.00 0.00 H new ATOM 547 N ILE A 33 -5.215 2.322 -2.800 1.00 0.00 N ATOM 548 CA ILE A 33 -4.041 2.977 -2.159 1.00 0.00 C ATOM 549 C ILE A 33 -3.340 3.898 -3.162 1.00 0.00 C ATOM 550 O ILE A 33 -2.976 3.490 -4.247 1.00 0.00 O ATOM 551 CB ILE A 33 -3.058 1.903 -1.689 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.782 0.919 -0.767 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.906 2.561 -0.927 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.074 -0.375 -1.530 1.00 0.00 C ATOM 0 H ILE A 33 -4.998 1.508 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.382 3.568 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.663 1.370 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.169 0.707 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.712 1.359 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.206 1.795 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.390 3.263 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.300 3.095 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.590 -1.076 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.704 -0.155 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.137 -0.817 -1.869 1.00 0.00 H new ATOM 566 N GLU A 34 -3.136 5.132 -2.796 1.00 0.00 N ATOM 567 CA GLU A 34 -2.442 6.084 -3.711 1.00 0.00 C ATOM 568 C GLU A 34 -1.292 6.735 -2.948 1.00 0.00 C ATOM 569 O GLU A 34 -1.498 7.445 -1.984 1.00 0.00 O ATOM 570 CB GLU A 34 -3.424 7.160 -4.185 1.00 0.00 C ATOM 571 CG GLU A 34 -4.138 7.771 -2.979 1.00 0.00 C ATOM 572 CD GLU A 34 -5.435 8.437 -3.442 1.00 0.00 C ATOM 573 OE1 GLU A 34 -6.066 7.903 -4.339 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.774 9.473 -2.893 1.00 0.00 O ATOM 0 H GLU A 34 -3.421 5.525 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.060 5.552 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.891 7.935 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.152 6.726 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.356 6.999 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.493 8.503 -2.493 1.00 0.00 H new ATOM 581 N PHE A 35 -0.079 6.485 -3.355 1.00 0.00 N ATOM 582 CA PHE A 35 1.075 7.076 -2.628 1.00 0.00 C ATOM 583 C PHE A 35 1.863 8.012 -3.546 1.00 0.00 C ATOM 584 O PHE A 35 1.899 7.842 -4.749 1.00 0.00 O ATOM 585 CB PHE A 35 1.984 5.949 -2.136 1.00 0.00 C ATOM 586 CG PHE A 35 2.219 4.960 -3.252 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.044 5.304 -4.332 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.613 3.698 -3.208 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.263 4.385 -5.367 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.832 2.778 -4.242 1.00 0.00 C ATOM 591 CZ PHE A 35 2.657 3.122 -5.322 1.00 0.00 C ATOM 0 H PHE A 35 0.161 5.900 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 35 0.707 7.653 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.935 6.359 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.528 5.447 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.511 6.277 -4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.976 3.434 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.899 4.650 -6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.366 1.805 -4.207 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.826 2.414 -6.120 1.00 0.00 H new ATOM 601 N TYR A 36 2.499 8.998 -2.975 1.00 0.00 N ATOM 602 CA TYR A 36 3.297 9.956 -3.786 1.00 0.00 C ATOM 603 C TYR A 36 4.661 10.138 -3.118 1.00 0.00 C ATOM 604 O TYR A 36 5.135 9.272 -2.411 1.00 0.00 O ATOM 605 CB TYR A 36 2.587 11.316 -3.845 1.00 0.00 C ATOM 606 CG TYR A 36 1.088 11.135 -3.728 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.521 10.689 -2.527 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.265 11.424 -4.824 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.869 10.532 -2.424 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.122 11.266 -4.722 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.689 10.820 -3.522 1.00 0.00 C ATOM 612 OH TYR A 36 -3.057 10.665 -3.422 1.00 0.00 O ATOM 0 H TYR A 36 2.499 9.181 -1.972 1.00 0.00 H new ATOM 0 HA TYR A 36 3.412 9.569 -4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.946 11.956 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.827 11.818 -4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.154 10.466 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.701 11.769 -5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.307 10.189 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.755 11.488 -5.569 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.477 10.909 -4.273 1.00 0.00 H new ATOM 622 N LYS A 37 5.288 11.263 -3.318 1.00 0.00 N ATOM 623 CA LYS A 37 6.609 11.500 -2.673 1.00 0.00 C ATOM 624 C LYS A 37 6.375 12.227 -1.347 1.00 0.00 C ATOM 625 O LYS A 37 7.078 12.022 -0.378 1.00 0.00 O ATOM 626 CB LYS A 37 7.481 12.363 -3.587 1.00 0.00 C ATOM 627 CG LYS A 37 8.687 11.547 -4.060 1.00 0.00 C ATOM 628 CD LYS A 37 9.978 12.276 -3.680 1.00 0.00 C ATOM 629 CE LYS A 37 10.588 11.622 -2.439 1.00 0.00 C ATOM 630 NZ LYS A 37 10.471 12.551 -1.279 1.00 0.00 N ATOM 0 H LYS A 37 4.944 12.027 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 37 7.116 10.551 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.901 12.705 -4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.817 13.252 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.669 10.556 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.642 11.404 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.686 12.240 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.770 13.328 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.077 10.684 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.635 11.380 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.886 12.107 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.978 13.435 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.468 12.761 -1.102 1.00 0.00 H new ATOM 644 N LYS A 38 5.377 13.067 -1.302 1.00 0.00 N ATOM 645 CA LYS A 38 5.069 13.807 -0.046 1.00 0.00 C ATOM 646 C LYS A 38 3.610 13.543 0.334 1.00 0.00 C ATOM 647 O LYS A 38 2.940 12.739 -0.281 1.00 0.00 O ATOM 648 CB LYS A 38 5.276 15.305 -0.269 1.00 0.00 C ATOM 649 CG LYS A 38 6.660 15.710 0.240 1.00 0.00 C ATOM 650 CD LYS A 38 7.012 17.098 -0.294 1.00 0.00 C ATOM 651 CE LYS A 38 8.376 17.526 0.251 1.00 0.00 C ATOM 652 NZ LYS A 38 8.910 18.646 -0.573 1.00 0.00 N ATOM 0 H LYS A 38 4.758 13.273 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 38 5.729 13.471 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.183 15.542 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.505 15.871 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.672 15.714 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.406 14.984 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.032 17.085 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.249 17.817 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.282 17.838 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.068 16.684 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.837 18.938 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.014 18.333 -1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.253 19.451 -0.533 1.00 0.00 H new ATOM 666 N LYS A 39 3.106 14.211 1.336 1.00 0.00 N ATOM 667 CA LYS A 39 1.688 13.978 1.731 1.00 0.00 C ATOM 668 C LYS A 39 0.811 13.958 0.476 1.00 0.00 C ATOM 669 O LYS A 39 -0.239 13.348 0.451 1.00 0.00 O ATOM 670 CB LYS A 39 1.225 15.085 2.685 1.00 0.00 C ATOM 671 CG LYS A 39 -0.281 14.971 2.926 1.00 0.00 C ATOM 672 CD LYS A 39 -0.542 14.026 4.090 1.00 0.00 C ATOM 673 CE LYS A 39 0.289 14.463 5.293 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.257 13.843 6.532 1.00 0.00 N ATOM 0 H LYS A 39 3.609 14.901 1.893 1.00 0.00 H new ATOM 0 HA LYS A 39 1.603 13.020 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.760 15.008 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.461 16.062 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.700 15.954 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.776 14.603 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.602 14.030 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.285 13.005 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.329 14.168 5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.275 15.549 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.095 14.360 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.296 13.885 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.048 12.850 6.587 1.00 0.00 H new ATOM 688 N SER A 40 1.237 14.612 -0.570 1.00 0.00 N ATOM 689 CA SER A 40 0.427 14.619 -1.822 1.00 0.00 C ATOM 690 C SER A 40 1.358 14.713 -3.033 1.00 0.00 C ATOM 691 O SER A 40 1.253 13.947 -3.969 1.00 0.00 O ATOM 692 CB SER A 40 -0.516 15.822 -1.820 1.00 0.00 C ATOM 693 OG SER A 40 -0.884 16.130 -0.481 1.00 0.00 O ATOM 0 H SER A 40 2.108 15.141 -0.612 1.00 0.00 H new ATOM 0 HA SER A 40 -0.156 13.699 -1.876 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.029 16.681 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.405 15.603 -2.412 1.00 0.00 H new ATOM 0 HG SER A 40 -1.488 16.902 -0.477 1.00 0.00 H new ATOM 699 N ASP A 41 2.266 15.653 -3.022 1.00 0.00 N ATOM 700 CA ASP A 41 3.201 15.805 -4.170 1.00 0.00 C ATOM 701 C ASP A 41 2.405 16.120 -5.438 1.00 0.00 C ATOM 702 O ASP A 41 2.925 16.098 -6.536 1.00 0.00 O ATOM 703 CB ASP A 41 3.987 14.505 -4.339 1.00 0.00 C ATOM 704 CG ASP A 41 4.703 14.493 -5.691 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.371 15.468 -5.993 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.574 13.509 -6.399 1.00 0.00 O ATOM 0 H ASP A 41 2.399 16.323 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 41 3.896 16.624 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.714 14.404 -3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.312 13.652 -4.269 1.00 0.00 H new ATOM 711 N ASN A 42 1.141 16.417 -5.295 1.00 0.00 N ATOM 712 CA ASN A 42 0.305 16.734 -6.484 1.00 0.00 C ATOM 713 C ASN A 42 0.623 15.753 -7.617 1.00 0.00 C ATOM 714 O ASN A 42 0.400 16.041 -8.777 1.00 0.00 O ATOM 715 CB ASN A 42 0.600 18.162 -6.948 1.00 0.00 C ATOM 716 CG ASN A 42 -0.629 19.039 -6.708 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.489 18.699 -5.919 1.00 0.00 O ATOM 718 ND2 ASN A 42 -0.750 20.164 -7.358 1.00 0.00 N ATOM 0 H ASN A 42 0.652 16.453 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.748 16.647 -6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.457 18.562 -6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.862 18.165 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.565 20.757 -7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.029 20.450 -8.020 1.00 0.00 H new ATOM 725 N SER A 43 1.141 14.596 -7.297 1.00 0.00 N ATOM 726 CA SER A 43 1.465 13.610 -8.368 1.00 0.00 C ATOM 727 C SER A 43 1.816 12.256 -7.736 1.00 0.00 C ATOM 728 O SER A 43 2.865 12.111 -7.142 1.00 0.00 O ATOM 729 CB SER A 43 2.660 14.116 -9.177 1.00 0.00 C ATOM 730 OG SER A 43 2.643 13.517 -10.466 1.00 0.00 O ATOM 0 H SER A 43 1.352 14.293 -6.346 1.00 0.00 H new ATOM 0 HA SER A 43 0.602 13.490 -9.022 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.619 15.201 -9.267 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.590 13.874 -8.663 1.00 0.00 H new ATOM 0 HG SER A 43 3.407 13.841 -10.987 1.00 0.00 H new ATOM 736 N PRO A 44 0.927 11.301 -7.880 1.00 0.00 N ATOM 737 CA PRO A 44 1.135 9.969 -7.328 1.00 0.00 C ATOM 738 C PRO A 44 2.213 9.226 -8.113 1.00 0.00 C ATOM 739 O PRO A 44 2.246 9.253 -9.327 1.00 0.00 O ATOM 740 CB PRO A 44 -0.215 9.278 -7.481 1.00 0.00 C ATOM 741 CG PRO A 44 -0.867 10.026 -8.684 1.00 0.00 C ATOM 742 CD PRO A 44 -0.342 11.487 -8.601 1.00 0.00 C ATOM 0 HA PRO A 44 1.471 9.996 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.101 8.213 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.818 9.368 -6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.589 9.563 -9.631 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.955 9.996 -8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.193 11.926 -9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.028 12.140 -8.062 1.00 0.00 H new ATOM 750 N LYS A 45 3.093 8.560 -7.423 1.00 0.00 N ATOM 751 CA LYS A 45 4.170 7.806 -8.114 1.00 0.00 C ATOM 752 C LYS A 45 3.668 6.382 -8.393 1.00 0.00 C ATOM 753 O LYS A 45 4.207 5.672 -9.218 1.00 0.00 O ATOM 754 CB LYS A 45 5.424 7.801 -7.214 1.00 0.00 C ATOM 755 CG LYS A 45 6.023 6.394 -7.100 1.00 0.00 C ATOM 756 CD LYS A 45 7.502 6.500 -6.724 1.00 0.00 C ATOM 757 CE LYS A 45 7.946 5.210 -6.030 1.00 0.00 C ATOM 758 NZ LYS A 45 9.047 4.580 -6.810 1.00 0.00 N ATOM 0 H LYS A 45 3.112 8.506 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 45 4.433 8.270 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.169 8.484 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.163 8.169 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.485 5.818 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.914 5.863 -8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.104 6.671 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.660 7.353 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.282 5.427 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.105 4.522 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.056 3.555 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.898 4.755 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.957 4.989 -6.518 1.00 0.00 H new ATOM 772 N GLY A 46 2.635 5.966 -7.712 1.00 0.00 N ATOM 773 CA GLY A 46 2.096 4.596 -7.937 1.00 0.00 C ATOM 774 C GLY A 46 0.851 4.393 -7.072 1.00 0.00 C ATOM 775 O GLY A 46 0.796 4.819 -5.937 1.00 0.00 O ATOM 0 H GLY A 46 2.141 6.516 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.848 4.459 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.851 3.850 -7.688 1.00 0.00 H new ATOM 779 N MET A 47 -0.148 3.742 -7.601 1.00 0.00 N ATOM 780 CA MET A 47 -1.386 3.512 -6.807 1.00 0.00 C ATOM 781 C MET A 47 -1.807 2.050 -6.941 1.00 0.00 C ATOM 782 O MET A 47 -1.990 1.544 -8.030 1.00 0.00 O ATOM 783 CB MET A 47 -2.507 4.413 -7.329 1.00 0.00 C ATOM 784 CG MET A 47 -1.965 5.823 -7.558 1.00 0.00 C ATOM 785 SD MET A 47 -2.987 6.673 -8.785 1.00 0.00 S ATOM 786 CE MET A 47 -1.722 6.824 -10.069 1.00 0.00 C ATOM 0 H MET A 47 -0.160 3.360 -8.547 1.00 0.00 H new ATOM 0 HA MET A 47 -1.194 3.745 -5.760 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.907 4.011 -8.260 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.329 4.440 -6.614 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.965 6.380 -6.621 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.931 5.775 -7.901 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.090 7.466 -10.869 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.819 7.259 -9.641 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.493 5.837 -10.472 1.00 0.00 H new ATOM 796 N ILE A 48 -1.963 1.367 -5.844 1.00 0.00 N ATOM 797 CA ILE A 48 -2.372 -0.061 -5.915 1.00 0.00 C ATOM 798 C ILE A 48 -3.902 -0.146 -5.897 1.00 0.00 C ATOM 799 O ILE A 48 -4.542 0.518 -5.107 1.00 0.00 O ATOM 800 CB ILE A 48 -1.801 -0.814 -4.714 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.272 -0.779 -4.775 1.00 0.00 C ATOM 802 CG2 ILE A 48 -2.280 -2.267 -4.746 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.291 -0.524 -3.377 1.00 0.00 C ATOM 0 H ILE A 48 -1.825 1.735 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.992 -0.509 -6.833 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.141 -0.342 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.108 -1.723 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.057 0.003 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.872 -2.803 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.369 -2.292 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.940 -2.742 -5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.380 -0.499 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.078 0.432 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.026 -1.322 -2.706 1.00 0.00 H new ATOM 815 N PRO A 49 -4.447 -0.959 -6.767 1.00 0.00 N ATOM 816 CA PRO A 49 -5.889 -1.129 -6.855 1.00 0.00 C ATOM 817 C PRO A 49 -6.399 -1.918 -5.649 1.00 0.00 C ATOM 818 O PRO A 49 -5.802 -2.891 -5.234 1.00 0.00 O ATOM 819 CB PRO A 49 -6.100 -1.921 -8.141 1.00 0.00 C ATOM 820 CG PRO A 49 -4.755 -2.694 -8.311 1.00 0.00 C ATOM 821 CD PRO A 49 -3.662 -1.760 -7.719 1.00 0.00 C ATOM 0 HA PRO A 49 -6.425 -0.180 -6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.948 -2.601 -8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.297 -1.266 -8.989 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.782 -3.649 -7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.558 -2.913 -9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.867 -2.320 -7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.191 -1.143 -8.484 1.00 0.00 H new ATOM 829 N LEU A 50 -7.502 -1.511 -5.083 1.00 0.00 N ATOM 830 CA LEU A 50 -8.050 -2.242 -3.907 1.00 0.00 C ATOM 831 C LEU A 50 -8.922 -3.406 -4.388 1.00 0.00 C ATOM 832 O LEU A 50 -9.954 -3.697 -3.817 1.00 0.00 O ATOM 833 CB LEU A 50 -8.895 -1.283 -3.065 1.00 0.00 C ATOM 834 CG LEU A 50 -8.384 -1.283 -1.623 1.00 0.00 C ATOM 835 CD1 LEU A 50 -7.014 -0.607 -1.564 1.00 0.00 C ATOM 836 CD2 LEU A 50 -9.367 -0.515 -0.736 1.00 0.00 C ATOM 0 H LEU A 50 -8.047 -0.703 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.230 -2.631 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.844 -0.276 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.942 -1.586 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.297 -2.310 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.652 -0.608 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.312 -1.151 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.100 0.421 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.005 -0.514 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.453 0.512 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.345 -0.995 -0.776 1.00 0.00 H new ATOM 848 N LYS A 51 -8.518 -4.074 -5.436 1.00 0.00 N ATOM 849 CA LYS A 51 -9.323 -5.216 -5.954 1.00 0.00 C ATOM 850 C LYS A 51 -8.846 -6.517 -5.305 1.00 0.00 C ATOM 851 O LYS A 51 -9.531 -7.102 -4.489 1.00 0.00 O ATOM 852 CB LYS A 51 -9.155 -5.308 -7.472 1.00 0.00 C ATOM 853 CG LYS A 51 -10.533 -5.376 -8.135 1.00 0.00 C ATOM 854 CD LYS A 51 -10.490 -4.655 -9.484 1.00 0.00 C ATOM 855 CE LYS A 51 -10.430 -5.685 -10.615 1.00 0.00 C ATOM 856 NZ LYS A 51 -11.799 -5.899 -11.167 1.00 0.00 N ATOM 0 H LYS A 51 -7.663 -3.877 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.374 -5.059 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.605 -4.442 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.571 -6.191 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.829 -6.416 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.281 -4.916 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.372 -4.025 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.621 -3.999 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.759 -5.338 -11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.025 -6.626 -10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.758 -6.599 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.426 -6.248 -10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.169 -5.000 -11.537 1.00 0.00 H new ATOM 870 N GLY A 52 -7.676 -6.978 -5.659 1.00 0.00 N ATOM 871 CA GLY A 52 -7.165 -8.243 -5.058 1.00 0.00 C ATOM 872 C GLY A 52 -5.636 -8.272 -5.132 1.00 0.00 C ATOM 873 O GLY A 52 -5.057 -9.003 -5.910 1.00 0.00 O ATOM 0 H GLY A 52 -7.055 -6.535 -6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.489 -8.320 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.580 -9.101 -5.587 1.00 0.00 H new ATOM 877 N SER A 53 -4.976 -7.487 -4.324 1.00 0.00 N ATOM 878 CA SER A 53 -3.486 -7.476 -4.347 1.00 0.00 C ATOM 879 C SER A 53 -2.959 -8.669 -3.555 1.00 0.00 C ATOM 880 O SER A 53 -3.701 -9.556 -3.186 1.00 0.00 O ATOM 881 CB SER A 53 -2.966 -6.180 -3.724 1.00 0.00 C ATOM 882 OG SER A 53 -2.709 -6.393 -2.343 1.00 0.00 O ATOM 0 H SER A 53 -5.404 -6.853 -3.649 1.00 0.00 H new ATOM 0 HA SER A 53 -3.141 -7.540 -5.379 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.055 -5.860 -4.230 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.698 -5.383 -3.851 1.00 0.00 H new ATOM 0 HG SER A 53 -2.228 -5.622 -1.977 1.00 0.00 H new ATOM 888 N THR A 54 -1.681 -8.707 -3.304 1.00 0.00 N ATOM 889 CA THR A 54 -1.116 -9.851 -2.554 1.00 0.00 C ATOM 890 C THR A 54 -0.017 -9.353 -1.614 1.00 0.00 C ATOM 891 O THR A 54 1.034 -8.925 -2.045 1.00 0.00 O ATOM 892 CB THR A 54 -0.538 -10.841 -3.561 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.733 -10.335 -4.874 1.00 0.00 O ATOM 894 CG2 THR A 54 -1.253 -12.182 -3.425 1.00 0.00 C ATOM 0 H THR A 54 -1.008 -7.995 -3.587 1.00 0.00 H new ATOM 0 HA THR A 54 -1.889 -10.337 -1.958 1.00 0.00 H new ATOM 0 HB THR A 54 0.527 -10.977 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.511 -9.381 -4.893 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.840 -12.889 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.113 -12.568 -2.415 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.317 -12.048 -3.618 1.00 0.00 H new ATOM 902 N LEU A 55 -0.251 -9.406 -0.330 1.00 0.00 N ATOM 903 CA LEU A 55 0.779 -8.930 0.637 1.00 0.00 C ATOM 904 C LEU A 55 1.713 -10.091 0.982 1.00 0.00 C ATOM 905 O LEU A 55 1.303 -11.088 1.543 1.00 0.00 O ATOM 906 CB LEU A 55 0.085 -8.431 1.908 1.00 0.00 C ATOM 907 CG LEU A 55 1.111 -7.822 2.870 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.925 -8.937 3.528 1.00 0.00 C ATOM 909 CD2 LEU A 55 2.051 -6.893 2.101 1.00 0.00 C ATOM 0 H LEU A 55 -1.111 -9.758 0.091 1.00 0.00 H new ATOM 0 HA LEU A 55 1.356 -8.116 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.669 -7.687 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.435 -9.256 2.395 1.00 0.00 H new ATOM 0 HG LEU A 55 0.587 -7.253 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.654 -8.501 4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.257 -9.597 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.445 -9.509 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.779 -6.462 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.572 -7.460 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.473 -6.094 1.636 1.00 0.00 H new ATOM 921 N THR A 56 2.965 -9.970 0.640 1.00 0.00 N ATOM 922 CA THR A 56 3.930 -11.064 0.936 1.00 0.00 C ATOM 923 C THR A 56 4.768 -10.691 2.160 1.00 0.00 C ATOM 924 O THR A 56 5.316 -9.610 2.245 1.00 0.00 O ATOM 925 CB THR A 56 4.850 -11.268 -0.271 1.00 0.00 C ATOM 926 OG1 THR A 56 4.065 -11.575 -1.415 1.00 0.00 O ATOM 927 CG2 THR A 56 5.815 -12.422 0.012 1.00 0.00 C ATOM 0 H THR A 56 3.362 -9.158 0.167 1.00 0.00 H new ATOM 0 HA THR A 56 3.385 -11.986 1.140 1.00 0.00 H new ATOM 0 HB THR A 56 5.419 -10.357 -0.454 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.846 -10.748 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.470 -12.568 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.416 -12.187 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.247 -13.335 0.194 1.00 0.00 H new ATOM 935 N SER A 57 4.873 -11.580 3.107 1.00 0.00 N ATOM 936 CA SER A 57 5.675 -11.284 4.327 1.00 0.00 C ATOM 937 C SER A 57 6.260 -12.590 4.879 1.00 0.00 C ATOM 938 O SER A 57 5.528 -13.497 5.221 1.00 0.00 O ATOM 939 CB SER A 57 4.777 -10.640 5.383 1.00 0.00 C ATOM 940 OG SER A 57 5.376 -10.788 6.663 1.00 0.00 O ATOM 0 H SER A 57 4.437 -12.502 3.089 1.00 0.00 H new ATOM 0 HA SER A 57 6.485 -10.600 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.631 -9.584 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.792 -11.107 5.373 1.00 0.00 H new ATOM 0 HG SER A 57 4.694 -10.676 7.358 1.00 0.00 H new ATOM 946 N PRO A 58 7.567 -12.646 4.944 1.00 0.00 N ATOM 947 CA PRO A 58 8.420 -11.545 4.526 1.00 0.00 C ATOM 948 C PRO A 58 8.423 -11.422 3.000 1.00 0.00 C ATOM 949 O PRO A 58 7.564 -11.952 2.323 1.00 0.00 O ATOM 950 CB PRO A 58 9.796 -11.910 5.036 1.00 0.00 C ATOM 951 CG PRO A 58 9.753 -13.469 5.126 1.00 0.00 C ATOM 952 CD PRO A 58 8.274 -13.831 5.446 1.00 0.00 C ATOM 0 HA PRO A 58 8.080 -10.585 4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.578 -11.569 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.997 -11.458 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.074 -13.924 4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.423 -13.835 5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.956 -14.743 4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.111 -13.985 6.513 1.00 0.00 H new ATOM 960 N CYS A 59 9.380 -10.723 2.452 1.00 0.00 N ATOM 961 CA CYS A 59 9.433 -10.564 0.971 1.00 0.00 C ATOM 962 C CYS A 59 10.561 -11.426 0.399 1.00 0.00 C ATOM 963 O CYS A 59 11.007 -12.373 1.016 1.00 0.00 O ATOM 964 CB CYS A 59 9.690 -9.096 0.626 1.00 0.00 C ATOM 965 SG CYS A 59 11.386 -8.656 1.082 1.00 0.00 S ATOM 0 H CYS A 59 10.127 -10.256 2.966 1.00 0.00 H new ATOM 0 HA CYS A 59 8.483 -10.881 0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.534 -8.929 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.983 -8.458 1.155 1.00 0.00 H new ATOM 0 HG CYS A 59 12.205 -9.075 0.164 1.00 0.00 H new ATOM 971 N GLN A 60 11.024 -11.103 -0.777 1.00 0.00 N ATOM 972 CA GLN A 60 12.120 -11.900 -1.396 1.00 0.00 C ATOM 973 C GLN A 60 13.428 -11.636 -0.653 1.00 0.00 C ATOM 974 O GLN A 60 13.437 -11.355 0.528 1.00 0.00 O ATOM 975 CB GLN A 60 12.276 -11.497 -2.863 1.00 0.00 C ATOM 976 CG GLN A 60 12.527 -12.745 -3.712 1.00 0.00 C ATOM 977 CD GLN A 60 12.396 -12.389 -5.194 1.00 0.00 C ATOM 978 OE1 GLN A 60 13.381 -12.290 -5.898 1.00 0.00 O ATOM 979 NE2 GLN A 60 11.210 -12.191 -5.702 1.00 0.00 N ATOM 0 H GLN A 60 10.689 -10.319 -1.337 1.00 0.00 H new ATOM 0 HA GLN A 60 11.877 -12.961 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.378 -10.984 -3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.104 -10.797 -2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.522 -13.142 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.813 -13.526 -3.450 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.382 -12.274 -5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.111 -11.953 -6.689 1.00 0.00 H new ATOM 988 N ASP A 61 14.533 -11.717 -1.341 1.00 0.00 N ATOM 989 CA ASP A 61 15.841 -11.460 -0.679 1.00 0.00 C ATOM 990 C ASP A 61 16.102 -9.954 -0.662 1.00 0.00 C ATOM 991 O ASP A 61 17.202 -9.508 -0.405 1.00 0.00 O ATOM 992 CB ASP A 61 16.956 -12.165 -1.454 1.00 0.00 C ATOM 993 CG ASP A 61 17.019 -11.610 -2.878 1.00 0.00 C ATOM 994 OD1 ASP A 61 16.236 -10.725 -3.183 1.00 0.00 O ATOM 995 OD2 ASP A 61 17.850 -12.077 -3.639 1.00 0.00 O ATOM 0 H ASP A 61 14.586 -11.950 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 61 15.819 -11.842 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.912 -12.016 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.773 -13.239 -1.479 1.00 0.00 H new ATOM 1000 N PHE A 62 15.094 -9.165 -0.926 1.00 0.00 N ATOM 1001 CA PHE A 62 15.286 -7.688 -0.916 1.00 0.00 C ATOM 1002 C PHE A 62 15.037 -7.166 0.500 1.00 0.00 C ATOM 1003 O PHE A 62 15.315 -6.024 0.811 1.00 0.00 O ATOM 1004 CB PHE A 62 14.298 -7.032 -1.884 1.00 0.00 C ATOM 1005 CG PHE A 62 14.933 -5.813 -2.515 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.996 -5.159 -1.875 1.00 0.00 C ATOM 1007 CD2 PHE A 62 14.455 -5.334 -3.743 1.00 0.00 C ATOM 1008 CE1 PHE A 62 16.579 -4.028 -2.462 1.00 0.00 C ATOM 1009 CE2 PHE A 62 15.039 -4.203 -4.329 1.00 0.00 C ATOM 1010 CZ PHE A 62 16.100 -3.551 -3.689 1.00 0.00 C ATOM 0 H PHE A 62 14.149 -9.480 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 62 16.303 -7.447 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 62 14.006 -7.743 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.390 -6.747 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 62 16.365 -5.527 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.637 -5.837 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.397 -3.524 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.671 -3.834 -5.275 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.550 -2.680 -4.142 1.00 0.00 H new ATOM 1020 N GLY A 63 14.524 -7.998 1.363 1.00 0.00 N ATOM 1021 CA GLY A 63 14.268 -7.560 2.760 1.00 0.00 C ATOM 1022 C GLY A 63 14.981 -8.513 3.718 1.00 0.00 C ATOM 1023 O GLY A 63 16.184 -8.452 3.883 1.00 0.00 O ATOM 0 H GLY A 63 14.271 -8.965 1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.626 -6.541 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.197 -7.554 2.963 1.00 0.00 H new ATOM 1027 N LYS A 64 14.254 -9.398 4.347 1.00 0.00 N ATOM 1028 CA LYS A 64 14.898 -10.358 5.287 1.00 0.00 C ATOM 1029 C LYS A 64 15.931 -9.616 6.138 1.00 0.00 C ATOM 1030 O LYS A 64 17.104 -9.933 6.124 1.00 0.00 O ATOM 1031 CB LYS A 64 15.590 -11.465 4.486 1.00 0.00 C ATOM 1032 CG LYS A 64 16.202 -12.486 5.448 1.00 0.00 C ATOM 1033 CD LYS A 64 15.118 -13.455 5.926 1.00 0.00 C ATOM 1034 CE LYS A 64 15.574 -14.895 5.682 1.00 0.00 C ATOM 1035 NZ LYS A 64 15.363 -15.701 6.917 1.00 0.00 N ATOM 0 H LYS A 64 13.243 -9.497 4.250 1.00 0.00 H new ATOM 0 HA LYS A 64 14.143 -10.800 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.873 -11.955 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.366 -11.038 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.001 -13.035 4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.649 -11.975 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.920 -13.300 6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.185 -13.263 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.015 -15.329 4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.627 -14.911 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.673 -16.680 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.915 -15.291 7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.353 -15.696 7.167 1.00 0.00 H new ATOM 1049 N ARG A 65 15.505 -8.626 6.875 1.00 0.00 N ATOM 1050 CA ARG A 65 16.469 -7.863 7.718 1.00 0.00 C ATOM 1051 C ARG A 65 15.736 -6.759 8.476 1.00 0.00 C ATOM 1052 O ARG A 65 16.109 -6.386 9.570 1.00 0.00 O ATOM 1053 CB ARG A 65 17.540 -7.237 6.823 1.00 0.00 C ATOM 1054 CG ARG A 65 18.652 -6.648 7.695 1.00 0.00 C ATOM 1055 CD ARG A 65 19.969 -6.656 6.917 1.00 0.00 C ATOM 1056 NE ARG A 65 21.052 -6.090 7.771 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.850 -4.984 8.436 1.00 0.00 C ATOM 1058 NH1 ARG A 65 20.092 -4.990 9.499 1.00 0.00 N ATOM 1059 NH2 ARG A 65 21.406 -3.873 8.037 1.00 0.00 N ATOM 0 H ARG A 65 14.536 -8.314 6.930 1.00 0.00 H new ATOM 0 HA ARG A 65 16.935 -8.541 8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.951 -7.989 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.100 -6.458 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.397 -5.630 7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.755 -7.228 8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 65 20.221 -7.673 6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.868 -6.071 6.003 1.00 0.00 H new ATOM 0 HE ARG A 65 21.951 -6.567 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.657 -5.859 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.935 -4.126 10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.998 -3.869 7.206 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.249 -3.009 8.556 1.00 0.00 H new ATOM 1073 N MET A 66 14.702 -6.233 7.898 1.00 0.00 N ATOM 1074 CA MET A 66 13.941 -5.146 8.575 1.00 0.00 C ATOM 1075 C MET A 66 12.443 -5.334 8.331 1.00 0.00 C ATOM 1076 O MET A 66 11.976 -6.424 8.071 1.00 0.00 O ATOM 1077 CB MET A 66 14.382 -3.793 8.016 1.00 0.00 C ATOM 1078 CG MET A 66 15.873 -3.842 7.675 1.00 0.00 C ATOM 1079 SD MET A 66 16.355 -2.303 6.853 1.00 0.00 S ATOM 1080 CE MET A 66 16.992 -1.455 8.320 1.00 0.00 C ATOM 0 H MET A 66 14.346 -6.507 6.982 1.00 0.00 H new ATOM 0 HA MET A 66 14.138 -5.181 9.646 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.802 -3.549 7.126 1.00 0.00 H new ATOM 0 HB3 MET A 66 14.191 -3.006 8.746 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.460 -3.981 8.583 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.081 -4.693 7.027 1.00 0.00 H new ATOM 0 HE1 MET A 66 17.351 -0.464 8.041 1.00 0.00 H new ATOM 0 HE2 MET A 66 16.196 -1.358 9.058 1.00 0.00 H new ATOM 0 HE3 MET A 66 17.813 -2.031 8.746 1.00 0.00 H new ATOM 1090 N PHE A 67 11.684 -4.275 8.417 1.00 0.00 N ATOM 1091 CA PHE A 67 10.214 -4.387 8.193 1.00 0.00 C ATOM 1092 C PHE A 67 9.905 -4.097 6.723 1.00 0.00 C ATOM 1093 O PHE A 67 9.262 -3.121 6.395 1.00 0.00 O ATOM 1094 CB PHE A 67 9.476 -3.375 9.077 1.00 0.00 C ATOM 1095 CG PHE A 67 10.315 -3.038 10.289 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.209 -3.811 11.453 1.00 0.00 C ATOM 1097 CD2 PHE A 67 11.203 -1.954 10.246 1.00 0.00 C ATOM 1098 CE1 PHE A 67 10.990 -3.499 12.574 1.00 0.00 C ATOM 1099 CE2 PHE A 67 11.983 -1.643 11.368 1.00 0.00 C ATOM 1100 CZ PHE A 67 11.876 -2.416 12.531 1.00 0.00 C ATOM 0 H PHE A 67 12.019 -3.336 8.633 1.00 0.00 H new ATOM 0 HA PHE A 67 9.885 -5.394 8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.264 -2.470 8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.517 -3.786 9.391 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.526 -4.647 11.486 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.286 -1.359 9.349 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.908 -4.094 13.471 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.666 -0.807 11.336 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.478 -2.176 13.395 1.00 0.00 H new ATOM 1110 N VAL A 68 10.367 -4.937 5.836 1.00 0.00 N ATOM 1111 CA VAL A 68 10.110 -4.709 4.386 1.00 0.00 C ATOM 1112 C VAL A 68 9.254 -5.852 3.829 1.00 0.00 C ATOM 1113 O VAL A 68 9.574 -7.014 3.989 1.00 0.00 O ATOM 1114 CB VAL A 68 11.457 -4.643 3.648 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.442 -5.623 4.288 1.00 0.00 C ATOM 1116 CG2 VAL A 68 11.273 -5.001 2.167 1.00 0.00 C ATOM 0 H VAL A 68 10.912 -5.772 6.054 1.00 0.00 H new ATOM 0 HA VAL A 68 9.573 -3.771 4.244 1.00 0.00 H new ATOM 0 HB VAL A 68 11.847 -3.628 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.396 -5.575 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.590 -5.359 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.043 -6.635 4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.235 -4.950 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.872 -6.011 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.581 -4.297 1.706 1.00 0.00 H new ATOM 1126 N PHE A 69 8.173 -5.532 3.170 1.00 0.00 N ATOM 1127 CA PHE A 69 7.306 -6.603 2.597 1.00 0.00 C ATOM 1128 C PHE A 69 7.210 -6.429 1.078 1.00 0.00 C ATOM 1129 O PHE A 69 7.690 -5.459 0.520 1.00 0.00 O ATOM 1130 CB PHE A 69 5.905 -6.526 3.215 1.00 0.00 C ATOM 1131 CG PHE A 69 5.195 -5.284 2.731 1.00 0.00 C ATOM 1132 CD1 PHE A 69 4.733 -5.205 1.409 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.992 -4.211 3.607 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.072 -4.053 0.964 1.00 0.00 C ATOM 1135 CE2 PHE A 69 4.331 -3.059 3.164 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.870 -2.980 1.839 1.00 0.00 C ATOM 0 H PHE A 69 7.853 -4.578 3.004 1.00 0.00 H new ATOM 0 HA PHE A 69 7.743 -7.576 2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.330 -7.412 2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.978 -6.513 4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.887 -6.033 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.346 -4.272 4.626 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.718 -3.993 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.176 -2.231 3.840 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.360 -2.092 1.496 1.00 0.00 H new ATOM 1146 N LYS A 70 6.589 -7.363 0.408 1.00 0.00 N ATOM 1147 CA LYS A 70 6.455 -7.265 -1.074 1.00 0.00 C ATOM 1148 C LYS A 70 4.990 -7.490 -1.469 1.00 0.00 C ATOM 1149 O LYS A 70 4.483 -8.591 -1.401 1.00 0.00 O ATOM 1150 CB LYS A 70 7.343 -8.333 -1.726 1.00 0.00 C ATOM 1151 CG LYS A 70 6.885 -8.596 -3.163 1.00 0.00 C ATOM 1152 CD LYS A 70 7.736 -9.711 -3.774 1.00 0.00 C ATOM 1153 CE LYS A 70 7.029 -11.056 -3.595 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.552 -12.025 -4.598 1.00 0.00 N ATOM 0 H LYS A 70 6.167 -8.193 0.825 1.00 0.00 H new ATOM 0 HA LYS A 70 6.767 -6.277 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.382 -8.004 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.299 -9.256 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.833 -8.880 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.977 -7.687 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.903 -9.515 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.715 -9.738 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.194 -11.435 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.953 -10.933 -3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.772 -12.353 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.275 -11.561 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.974 -12.839 -4.107 1.00 0.00 H new ATOM 1168 N ILE A 71 4.307 -6.456 -1.888 1.00 0.00 N ATOM 1169 CA ILE A 71 2.879 -6.617 -2.287 1.00 0.00 C ATOM 1170 C ILE A 71 2.804 -6.970 -3.775 1.00 0.00 C ATOM 1171 O ILE A 71 3.757 -6.818 -4.514 1.00 0.00 O ATOM 1172 CB ILE A 71 2.117 -5.304 -2.011 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.509 -5.364 -0.607 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.989 -5.098 -3.034 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.544 -4.191 -0.417 1.00 0.00 C ATOM 0 H ILE A 71 4.677 -5.509 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 71 2.422 -7.420 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 71 2.818 -4.473 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.982 -6.308 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.298 -5.325 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.467 -4.166 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.412 -5.053 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.287 -5.929 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.111 -4.234 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.084 -3.252 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.252 -4.250 -1.160 1.00 0.00 H new ATOM 1187 N THR A 72 1.668 -7.432 -4.213 1.00 0.00 N ATOM 1188 CA THR A 72 1.502 -7.792 -5.644 1.00 0.00 C ATOM 1189 C THR A 72 0.073 -7.451 -6.063 1.00 0.00 C ATOM 1190 O THR A 72 -0.833 -8.251 -5.932 1.00 0.00 O ATOM 1191 CB THR A 72 1.762 -9.290 -5.831 1.00 0.00 C ATOM 1192 OG1 THR A 72 3.161 -9.534 -5.783 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.208 -9.749 -7.182 1.00 0.00 C ATOM 0 H THR A 72 0.841 -7.576 -3.634 1.00 0.00 H new ATOM 0 HA THR A 72 2.211 -7.237 -6.259 1.00 0.00 H new ATOM 0 HB THR A 72 1.266 -9.845 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.628 -8.711 -5.527 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.396 -10.815 -7.309 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.135 -9.563 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.698 -9.196 -7.983 1.00 0.00 H new ATOM 1201 N THR A 73 -0.138 -6.263 -6.554 1.00 0.00 N ATOM 1202 CA THR A 73 -1.514 -5.865 -6.967 1.00 0.00 C ATOM 1203 C THR A 73 -2.146 -6.995 -7.780 1.00 0.00 C ATOM 1204 O THR A 73 -1.466 -7.874 -8.271 1.00 0.00 O ATOM 1205 CB THR A 73 -1.460 -4.591 -7.815 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.180 -4.933 -9.166 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.371 -3.655 -7.287 1.00 0.00 C ATOM 0 H THR A 73 0.580 -5.551 -6.688 1.00 0.00 H new ATOM 0 HA THR A 73 -2.114 -5.673 -6.077 1.00 0.00 H new ATOM 0 HB THR A 73 -2.423 -4.083 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.131 -4.117 -9.707 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.340 -2.752 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.591 -3.388 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.595 -4.158 -7.334 1.00 0.00 H new ATOM 1215 N THR A 74 -3.443 -6.985 -7.921 1.00 0.00 N ATOM 1216 CA THR A 74 -4.116 -8.063 -8.698 1.00 0.00 C ATOM 1217 C THR A 74 -3.611 -8.049 -10.143 1.00 0.00 C ATOM 1218 O THR A 74 -3.833 -8.976 -10.896 1.00 0.00 O ATOM 1219 CB THR A 74 -5.631 -7.838 -8.683 1.00 0.00 C ATOM 1220 OG1 THR A 74 -6.218 -8.514 -9.786 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.933 -6.342 -8.781 1.00 0.00 C ATOM 0 H THR A 74 -4.065 -6.277 -7.532 1.00 0.00 H new ATOM 0 HA THR A 74 -3.888 -9.028 -8.245 1.00 0.00 H new ATOM 0 HB THR A 74 -6.045 -8.227 -7.753 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.533 -9.040 -10.249 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.012 -6.187 -8.770 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.483 -5.824 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.519 -5.947 -9.709 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.932 -7.005 -10.536 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.415 -6.936 -11.932 1.00 0.00 C ATOM 1231 C LYS A 75 -1.045 -7.617 -12.004 1.00 0.00 C ATOM 1232 O LYS A 75 -0.305 -7.444 -12.952 1.00 0.00 O ATOM 1233 CB LYS A 75 -2.280 -5.472 -12.352 1.00 0.00 C ATOM 1234 CG LYS A 75 -3.593 -4.998 -12.980 1.00 0.00 C ATOM 1235 CD LYS A 75 -3.436 -4.923 -14.500 1.00 0.00 C ATOM 1236 CE LYS A 75 -4.036 -3.611 -15.010 1.00 0.00 C ATOM 1237 NZ LYS A 75 -5.150 -3.907 -15.955 1.00 0.00 N ATOM 0 H LYS A 75 -2.714 -6.198 -9.951 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.108 -7.444 -12.602 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.035 -4.856 -11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.463 -5.361 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.400 -5.683 -12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.865 -4.020 -12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.382 -4.983 -14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.935 -5.771 -14.970 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.403 -3.017 -14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.270 -3.018 -15.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.558 -3.015 -16.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.786 -4.457 -16.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.885 -4.456 -15.465 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.704 -8.390 -11.010 1.00 0.00 N ATOM 1252 CA GLN A 76 0.615 -9.082 -11.021 1.00 0.00 C ATOM 1253 C GLN A 76 1.735 -8.052 -10.859 1.00 0.00 C ATOM 1254 O GLN A 76 2.821 -8.214 -11.378 1.00 0.00 O ATOM 1255 CB GLN A 76 0.789 -9.826 -12.347 1.00 0.00 C ATOM 1256 CG GLN A 76 1.222 -11.268 -12.073 1.00 0.00 C ATOM 1257 CD GLN A 76 0.447 -12.217 -12.992 1.00 0.00 C ATOM 1258 OE1 GLN A 76 0.314 -11.964 -14.173 1.00 0.00 O ATOM 1259 NE2 GLN A 76 -0.072 -13.307 -12.497 1.00 0.00 N ATOM 0 H GLN A 76 -1.283 -8.572 -10.190 1.00 0.00 H new ATOM 0 HA GLN A 76 0.659 -9.795 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.146 -9.816 -12.906 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.534 -9.323 -12.963 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.293 -11.376 -12.242 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.036 -11.523 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.039 -13.520 -11.506 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.589 -13.946 -13.101 1.00 0.00 H new ATOM 1268 N GLN A 77 1.480 -6.995 -10.136 1.00 0.00 N ATOM 1269 CA GLN A 77 2.529 -5.958 -9.933 1.00 0.00 C ATOM 1270 C GLN A 77 3.341 -6.302 -8.691 1.00 0.00 C ATOM 1271 O GLN A 77 3.148 -7.330 -8.074 1.00 0.00 O ATOM 1272 CB GLN A 77 1.869 -4.591 -9.743 1.00 0.00 C ATOM 1273 CG GLN A 77 2.377 -3.623 -10.813 1.00 0.00 C ATOM 1274 CD GLN A 77 3.349 -2.627 -10.179 1.00 0.00 C ATOM 1275 OE1 GLN A 77 4.526 -2.903 -10.054 1.00 0.00 O ATOM 1276 NE2 GLN A 77 2.902 -1.471 -9.769 1.00 0.00 N ATOM 0 H GLN A 77 0.589 -6.806 -9.677 1.00 0.00 H new ATOM 0 HA GLN A 77 3.183 -5.927 -10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.785 -4.687 -9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.094 -4.202 -8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.874 -4.174 -11.611 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.539 -3.092 -11.266 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.914 -1.240 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.541 -0.799 -9.344 1.00 0.00 H new ATOM 1285 N ASP A 78 4.249 -5.450 -8.325 1.00 0.00 N ATOM 1286 CA ASP A 78 5.079 -5.718 -7.118 1.00 0.00 C ATOM 1287 C ASP A 78 5.313 -4.408 -6.360 1.00 0.00 C ATOM 1288 O ASP A 78 5.415 -3.350 -6.950 1.00 0.00 O ATOM 1289 CB ASP A 78 6.423 -6.312 -7.544 1.00 0.00 C ATOM 1290 CG ASP A 78 6.209 -7.269 -8.718 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.316 -8.096 -8.627 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.941 -7.159 -9.687 1.00 0.00 O ATOM 0 H ASP A 78 4.456 -4.576 -8.809 1.00 0.00 H new ATOM 0 HA ASP A 78 4.561 -6.425 -6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.110 -5.516 -7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.880 -6.842 -6.708 1.00 0.00 H new ATOM 1297 N HIS A 79 5.396 -4.468 -5.059 1.00 0.00 N ATOM 1298 CA HIS A 79 5.619 -3.222 -4.270 1.00 0.00 C ATOM 1299 C HIS A 79 6.482 -3.530 -3.044 1.00 0.00 C ATOM 1300 O HIS A 79 5.982 -3.892 -1.997 1.00 0.00 O ATOM 1301 CB HIS A 79 4.270 -2.662 -3.813 1.00 0.00 C ATOM 1302 CG HIS A 79 3.576 -2.015 -4.979 1.00 0.00 C ATOM 1303 ND1 HIS A 79 3.957 -0.776 -5.470 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.524 -2.421 -5.762 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.147 -0.483 -6.503 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.255 -1.452 -6.723 1.00 0.00 N ATOM 0 H HIS A 79 5.319 -5.323 -4.509 1.00 0.00 H new ATOM 0 HA HIS A 79 6.130 -2.489 -4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.651 -3.462 -3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.418 -1.935 -3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.987 -3.351 -5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.210 0.425 -7.084 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.532 -1.476 -7.442 1.00 0.00 H new ATOM 1314 N PHE A 80 7.773 -3.382 -3.159 1.00 0.00 N ATOM 1315 CA PHE A 80 8.662 -3.659 -1.996 1.00 0.00 C ATOM 1316 C PHE A 80 8.853 -2.374 -1.188 1.00 0.00 C ATOM 1317 O PHE A 80 9.503 -1.449 -1.632 1.00 0.00 O ATOM 1318 CB PHE A 80 10.029 -4.138 -2.492 1.00 0.00 C ATOM 1319 CG PHE A 80 9.874 -5.425 -3.263 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.325 -5.408 -4.552 1.00 0.00 C ATOM 1321 CD2 PHE A 80 10.291 -6.636 -2.694 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.189 -6.604 -5.271 1.00 0.00 C ATOM 1323 CE2 PHE A 80 10.158 -7.830 -3.414 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.608 -7.814 -4.703 1.00 0.00 C ATOM 0 H PHE A 80 8.251 -3.081 -4.008 1.00 0.00 H new ATOM 0 HA PHE A 80 8.207 -4.429 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.483 -3.376 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.700 -4.289 -1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.007 -4.474 -4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.715 -6.649 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.761 -6.592 -6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 80 10.479 -8.763 -2.976 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.507 -8.735 -5.258 1.00 0.00 H new ATOM 1334 N PHE A 81 8.302 -2.303 -0.007 1.00 0.00 N ATOM 1335 CA PHE A 81 8.477 -1.065 0.807 1.00 0.00 C ATOM 1336 C PHE A 81 8.574 -1.432 2.290 1.00 0.00 C ATOM 1337 O PHE A 81 7.947 -2.362 2.758 1.00 0.00 O ATOM 1338 CB PHE A 81 7.300 -0.092 0.530 1.00 0.00 C ATOM 1339 CG PHE A 81 6.355 0.032 1.715 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.808 0.558 2.934 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.020 -0.373 1.585 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.932 0.674 4.018 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.141 -0.254 2.672 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.597 0.268 3.887 1.00 0.00 C ATOM 0 H PHE A 81 7.744 -3.039 0.426 1.00 0.00 H new ATOM 0 HA PHE A 81 9.402 -0.561 0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.697 0.892 0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.743 -0.439 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.836 0.874 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.667 -0.777 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.284 1.077 4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.112 -0.566 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.920 0.358 4.724 1.00 0.00 H new ATOM 1354 N GLN A 82 9.354 -0.694 3.032 1.00 0.00 N ATOM 1355 CA GLN A 82 9.495 -0.973 4.486 1.00 0.00 C ATOM 1356 C GLN A 82 8.885 0.187 5.276 1.00 0.00 C ATOM 1357 O GLN A 82 9.041 1.340 4.922 1.00 0.00 O ATOM 1358 CB GLN A 82 10.977 -1.108 4.840 1.00 0.00 C ATOM 1359 CG GLN A 82 11.124 -1.353 6.342 1.00 0.00 C ATOM 1360 CD GLN A 82 12.095 -0.330 6.934 1.00 0.00 C ATOM 1361 OE1 GLN A 82 11.925 0.860 6.754 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.112 -0.746 7.637 1.00 0.00 N ATOM 0 H GLN A 82 9.902 0.095 2.689 1.00 0.00 H new ATOM 0 HA GLN A 82 8.980 -1.901 4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.421 -1.932 4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.514 -0.203 4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.153 -1.274 6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.490 -2.364 6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.254 -1.745 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.766 -0.072 8.036 1.00 0.00 H new ATOM 1371 N ALA A 83 8.188 -0.105 6.339 1.00 0.00 N ATOM 1372 CA ALA A 83 7.568 0.984 7.145 1.00 0.00 C ATOM 1373 C ALA A 83 8.550 1.442 8.226 1.00 0.00 C ATOM 1374 O ALA A 83 9.749 1.293 8.094 1.00 0.00 O ATOM 1375 CB ALA A 83 6.289 0.466 7.804 1.00 0.00 C ATOM 0 H ALA A 83 8.021 -1.050 6.684 1.00 0.00 H new ATOM 0 HA ALA A 83 7.327 1.825 6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.835 1.263 8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.589 0.141 7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.530 -0.375 8.454 1.00 0.00 H new ATOM 1381 N ALA A 84 8.050 1.999 9.295 1.00 0.00 N ATOM 1382 CA ALA A 84 8.951 2.469 10.385 1.00 0.00 C ATOM 1383 C ALA A 84 9.457 1.270 11.187 1.00 0.00 C ATOM 1384 O ALA A 84 10.463 0.670 10.865 1.00 0.00 O ATOM 1385 CB ALA A 84 8.182 3.419 11.307 1.00 0.00 C ATOM 0 H ALA A 84 7.055 2.149 9.461 1.00 0.00 H new ATOM 0 HA ALA A 84 9.802 2.995 9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.840 3.764 12.105 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.828 4.276 10.733 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.330 2.895 11.740 1.00 0.00 H new ATOM 1391 N PHE A 85 8.763 0.920 12.227 1.00 0.00 N ATOM 1392 CA PHE A 85 9.189 -0.241 13.061 1.00 0.00 C ATOM 1393 C PHE A 85 8.259 -1.414 12.776 1.00 0.00 C ATOM 1394 O PHE A 85 7.301 -1.290 12.044 1.00 0.00 O ATOM 1395 CB PHE A 85 9.109 0.119 14.551 1.00 0.00 C ATOM 1396 CG PHE A 85 9.123 1.620 14.727 1.00 0.00 C ATOM 1397 CD1 PHE A 85 10.332 2.324 14.653 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.925 2.308 14.962 1.00 0.00 C ATOM 1399 CE1 PHE A 85 10.343 3.715 14.816 1.00 0.00 C ATOM 1400 CE2 PHE A 85 7.936 3.699 15.124 1.00 0.00 C ATOM 1401 CZ PHE A 85 9.145 4.403 15.050 1.00 0.00 C ATOM 0 H PHE A 85 7.913 1.388 12.541 1.00 0.00 H new ATOM 0 HA PHE A 85 10.218 -0.505 12.817 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.200 -0.297 14.985 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.949 -0.325 15.085 1.00 0.00 H new ATOM 0 HD1 PHE A 85 11.255 1.794 14.470 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.993 1.765 15.018 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.275 4.258 14.761 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.013 4.229 15.306 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.154 5.476 15.173 1.00 0.00 H new ATOM 1411 N LEU A 86 8.525 -2.552 13.348 1.00 0.00 N ATOM 1412 CA LEU A 86 7.639 -3.722 13.099 1.00 0.00 C ATOM 1413 C LEU A 86 6.204 -3.353 13.478 1.00 0.00 C ATOM 1414 O LEU A 86 5.255 -3.945 13.005 1.00 0.00 O ATOM 1415 CB LEU A 86 8.092 -4.912 13.942 1.00 0.00 C ATOM 1416 CG LEU A 86 7.031 -6.011 13.864 1.00 0.00 C ATOM 1417 CD1 LEU A 86 6.764 -6.360 12.400 1.00 0.00 C ATOM 1418 CD2 LEU A 86 7.527 -7.255 14.599 1.00 0.00 C ATOM 0 H LEU A 86 9.312 -2.724 13.974 1.00 0.00 H new ATOM 0 HA LEU A 86 7.690 -3.992 12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.049 -5.287 13.580 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.241 -4.605 14.977 1.00 0.00 H new ATOM 0 HG LEU A 86 6.111 -5.657 14.328 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.008 -7.143 12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.408 -5.474 11.874 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.685 -6.712 11.936 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.770 -8.037 14.543 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.449 -7.608 14.136 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.717 -7.009 15.644 1.00 0.00 H new ATOM 1430 N GLU A 87 6.037 -2.376 14.329 1.00 0.00 N ATOM 1431 CA GLU A 87 4.662 -1.971 14.736 1.00 0.00 C ATOM 1432 C GLU A 87 3.949 -1.338 13.541 1.00 0.00 C ATOM 1433 O GLU A 87 2.987 -1.873 13.027 1.00 0.00 O ATOM 1434 CB GLU A 87 4.745 -0.955 15.878 1.00 0.00 C ATOM 1435 CG GLU A 87 3.887 -1.434 17.052 1.00 0.00 C ATOM 1436 CD GLU A 87 2.485 -0.833 16.938 1.00 0.00 C ATOM 1437 OE1 GLU A 87 2.374 0.379 17.015 1.00 0.00 O ATOM 1438 OE2 GLU A 87 1.547 -1.595 16.776 1.00 0.00 O ATOM 0 H GLU A 87 6.793 -1.842 14.759 1.00 0.00 H new ATOM 0 HA GLU A 87 4.107 -2.847 15.072 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.780 -0.834 16.196 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.400 0.021 15.536 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.829 -2.522 17.053 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.345 -1.138 17.996 1.00 0.00 H new ATOM 1445 N GLU A 88 4.415 -0.205 13.092 1.00 0.00 N ATOM 1446 CA GLU A 88 3.765 0.458 11.928 1.00 0.00 C ATOM 1447 C GLU A 88 3.882 -0.450 10.704 1.00 0.00 C ATOM 1448 O GLU A 88 3.181 -0.286 9.725 1.00 0.00 O ATOM 1449 CB GLU A 88 4.461 1.791 11.643 1.00 0.00 C ATOM 1450 CG GLU A 88 3.816 2.454 10.426 1.00 0.00 C ATOM 1451 CD GLU A 88 4.191 3.937 10.393 1.00 0.00 C ATOM 1452 OE1 GLU A 88 3.900 4.622 11.361 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.760 4.362 9.402 1.00 0.00 O ATOM 0 H GLU A 88 5.218 0.290 13.481 1.00 0.00 H new ATOM 0 HA GLU A 88 2.714 0.641 12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.384 2.446 12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.523 1.627 11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.150 1.963 9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.733 2.343 10.470 1.00 0.00 H new ATOM 1460 N ARG A 89 4.762 -1.411 10.754 1.00 0.00 N ATOM 1461 CA ARG A 89 4.925 -2.335 9.597 1.00 0.00 C ATOM 1462 C ARG A 89 3.706 -3.254 9.510 1.00 0.00 C ATOM 1463 O ARG A 89 2.955 -3.212 8.558 1.00 0.00 O ATOM 1464 CB ARG A 89 6.187 -3.179 9.780 1.00 0.00 C ATOM 1465 CG ARG A 89 6.384 -4.069 8.551 1.00 0.00 C ATOM 1466 CD ARG A 89 6.731 -5.490 8.999 1.00 0.00 C ATOM 1467 NE ARG A 89 5.492 -6.315 9.038 1.00 0.00 N ATOM 1468 CZ ARG A 89 5.153 -7.033 8.001 1.00 0.00 C ATOM 1469 NH1 ARG A 89 5.456 -6.627 6.799 1.00 0.00 N ATOM 1470 NH2 ARG A 89 4.512 -8.158 8.168 1.00 0.00 N ATOM 0 H ARG A 89 5.376 -1.597 11.547 1.00 0.00 H new ATOM 0 HA ARG A 89 5.014 -1.753 8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.054 -2.532 9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.101 -3.792 10.677 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.477 -4.078 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.181 -3.669 7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.454 -5.932 8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.197 -5.468 9.984 1.00 0.00 H new ATOM 0 HE ARG A 89 4.908 -6.319 9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.958 -5.749 6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.191 -7.188 5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.276 -8.476 9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.247 -8.719 7.358 1.00 0.00 H new ATOM 1484 N ASP A 90 3.497 -4.082 10.499 1.00 0.00 N ATOM 1485 CA ASP A 90 2.318 -4.993 10.464 1.00 0.00 C ATOM 1486 C ASP A 90 1.036 -4.154 10.445 1.00 0.00 C ATOM 1487 O ASP A 90 -0.041 -4.652 10.177 1.00 0.00 O ATOM 1488 CB ASP A 90 2.324 -5.890 11.704 1.00 0.00 C ATOM 1489 CG ASP A 90 1.714 -7.249 11.354 1.00 0.00 C ATOM 1490 OD1 ASP A 90 1.255 -7.398 10.234 1.00 0.00 O ATOM 1491 OD2 ASP A 90 1.718 -8.116 12.212 1.00 0.00 O ATOM 0 H ASP A 90 4.089 -4.166 11.325 1.00 0.00 H new ATOM 0 HA ASP A 90 2.363 -5.616 9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.344 -6.020 12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.757 -5.421 12.508 1.00 0.00 H new ATOM 1496 N ALA A 91 1.142 -2.882 10.717 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.068 -2.013 10.698 1.00 0.00 C ATOM 1498 C ALA A 91 -0.346 -1.593 9.255 1.00 0.00 C ATOM 1499 O ALA A 91 -1.476 -1.393 8.858 1.00 0.00 O ATOM 1500 CB ALA A 91 0.178 -0.772 11.558 1.00 0.00 C ATOM 0 H ALA A 91 2.014 -2.407 10.951 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.924 -2.557 11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.708 -0.137 11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.389 -1.076 12.583 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.028 -0.217 11.161 1.00 0.00 H new ATOM 1506 N TRP A 92 0.685 -1.469 8.463 1.00 0.00 N ATOM 1507 CA TRP A 92 0.505 -1.077 7.041 1.00 0.00 C ATOM 1508 C TRP A 92 0.180 -2.331 6.223 1.00 0.00 C ATOM 1509 O TRP A 92 -0.487 -2.273 5.209 1.00 0.00 O ATOM 1510 CB TRP A 92 1.810 -0.469 6.528 1.00 0.00 C ATOM 1511 CG TRP A 92 1.699 1.022 6.474 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.149 1.866 7.431 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.125 1.859 5.427 1.00 0.00 C ATOM 1514 NE1 TRP A 92 1.888 3.166 7.041 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.257 3.215 5.815 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.506 1.579 4.194 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 0.793 4.255 5.006 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.039 2.624 3.377 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.183 3.959 3.783 1.00 0.00 C ATOM 0 H TRP A 92 1.652 -1.625 8.746 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.303 -0.352 6.948 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.635 -0.756 7.180 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.037 -0.860 5.536 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.633 1.572 8.350 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.132 3.989 7.592 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.389 0.554 3.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 0.905 5.281 5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.433 2.398 2.432 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.177 4.758 3.151 1.00 0.00 H new ATOM 1530 N VAL A 93 0.658 -3.465 6.663 1.00 0.00 N ATOM 1531 CA VAL A 93 0.394 -4.734 5.928 1.00 0.00 C ATOM 1532 C VAL A 93 -1.047 -5.180 6.179 1.00 0.00 C ATOM 1533 O VAL A 93 -1.706 -5.706 5.304 1.00 0.00 O ATOM 1534 CB VAL A 93 1.360 -5.814 6.427 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.782 -5.251 6.470 1.00 0.00 C ATOM 1536 CG2 VAL A 93 0.948 -6.255 7.830 1.00 0.00 C ATOM 0 H VAL A 93 1.224 -3.566 7.506 1.00 0.00 H new ATOM 0 HA VAL A 93 0.541 -4.577 4.859 1.00 0.00 H new ATOM 0 HB VAL A 93 1.328 -6.668 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.467 -6.021 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.078 -4.934 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.815 -4.396 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.634 -7.023 8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.980 -5.399 8.504 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.065 -6.658 7.802 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.541 -4.976 7.370 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.939 -5.389 7.680 1.00 0.00 C ATOM 1548 C ARG A 94 -3.907 -4.296 7.225 1.00 0.00 C ATOM 1549 O ARG A 94 -5.065 -4.553 6.959 1.00 0.00 O ATOM 1550 CB ARG A 94 -3.086 -5.603 9.187 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.987 -4.256 9.907 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.274 -4.452 11.395 1.00 0.00 C ATOM 1553 NE ARG A 94 -2.099 -5.096 12.047 1.00 0.00 N ATOM 1554 CZ ARG A 94 -2.136 -6.364 12.355 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -3.007 -6.799 13.222 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -1.302 -7.195 11.794 1.00 0.00 N ATOM 0 H ARG A 94 -1.036 -4.541 8.142 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.167 -6.318 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.044 -6.075 9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.309 -6.277 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.993 -3.831 9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.698 -3.549 9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.483 -3.491 11.866 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.161 -5.071 11.527 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.265 -4.546 12.253 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.660 -6.149 13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.036 -7.790 13.463 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.621 -6.854 11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.330 -8.186 12.034 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.448 -3.079 7.136 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.349 -1.976 6.700 1.00 0.00 C ATOM 1572 C ASP A 95 -4.538 -2.042 5.183 1.00 0.00 C ATOM 1573 O ASP A 95 -5.639 -1.932 4.681 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.736 -0.628 7.082 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.832 0.440 7.096 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.642 0.442 6.185 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.840 1.239 8.019 1.00 0.00 O ATOM 0 H ASP A 95 -2.489 -2.801 7.346 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.316 -2.083 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.265 -0.695 8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.956 -0.356 6.371 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.475 -2.220 4.446 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.604 -2.292 2.963 1.00 0.00 C ATOM 1584 C ILE A 96 -4.157 -3.665 2.564 1.00 0.00 C ATOM 1585 O ILE A 96 -5.005 -3.774 1.703 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.232 -2.082 2.313 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.797 -0.623 2.505 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.323 -2.395 0.817 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.478 -0.369 1.767 1.00 0.00 C ATOM 0 H ILE A 96 -2.526 -2.318 4.806 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.285 -1.513 2.622 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.502 -2.745 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.569 0.048 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.677 -0.407 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.348 -2.246 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.635 -3.430 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.051 -1.732 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.176 0.669 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.294 -1.029 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.612 -0.566 0.703 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.680 -4.712 3.181 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.178 -6.074 2.831 1.00 0.00 C ATOM 1603 C ASN A 97 -5.627 -6.234 3.301 1.00 0.00 C ATOM 1604 O ASN A 97 -6.409 -6.938 2.696 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.303 -7.129 3.511 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.869 -8.522 3.229 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.529 -9.104 4.066 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.638 -9.085 2.074 1.00 0.00 N ATOM 0 H ASN A 97 -2.968 -4.684 3.911 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.134 -6.205 1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.279 -7.060 3.143 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.268 -6.950 4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.012 -10.013 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.084 -8.597 1.370 1.00 0.00 H new ATOM 1615 N LYS A 98 -5.992 -5.586 4.373 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.391 -5.706 4.872 1.00 0.00 C ATOM 1617 C LYS A 98 -8.319 -4.881 3.979 1.00 0.00 C ATOM 1618 O LYS A 98 -9.329 -5.362 3.505 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.469 -5.185 6.308 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.914 -5.268 6.803 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.521 -3.864 6.843 1.00 0.00 C ATOM 1622 CE LYS A 98 -10.828 -3.895 7.638 1.00 0.00 C ATOM 1623 NZ LYS A 98 -10.582 -4.505 8.975 1.00 0.00 N ATOM 0 H LYS A 98 -5.384 -4.980 4.924 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.697 -6.752 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.817 -5.772 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.117 -4.154 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.499 -5.910 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.944 -5.717 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.820 -3.166 7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.708 -3.508 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.220 -2.884 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.581 -4.469 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.183 -4.040 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.809 -5.519 8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.582 -4.382 9.234 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.984 -3.643 3.746 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.846 -2.787 2.883 1.00 0.00 C ATOM 1639 C ALA A 99 -9.063 -3.480 1.536 1.00 0.00 C ATOM 1640 O ALA A 99 -10.155 -3.492 1.003 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.160 -1.438 2.659 1.00 0.00 C ATOM 0 H ALA A 99 -7.150 -3.186 4.116 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.808 -2.629 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.789 -0.810 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.003 -0.946 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.198 -1.595 2.171 1.00 0.00 H new ATOM 1647 N ILE A 100 -8.033 -4.059 0.983 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.181 -4.752 -0.328 1.00 0.00 C ATOM 1649 C ILE A 100 -9.009 -6.025 -0.135 1.00 0.00 C ATOM 1650 O ILE A 100 -9.836 -6.368 -0.956 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.796 -5.115 -0.870 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -6.078 -3.843 -1.324 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.942 -6.066 -2.059 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.627 -3.871 -0.839 1.00 0.00 C ATOM 0 H ILE A 100 -7.095 -4.082 1.382 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.685 -4.095 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.218 -5.602 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.107 -3.765 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.588 -2.965 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.955 -6.323 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.454 -6.973 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.522 -5.581 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.117 -2.964 -1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.608 -3.928 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.120 -4.741 -1.257 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.796 -6.727 0.944 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.575 -7.973 1.186 1.00 0.00 C ATOM 1668 C LYS A 101 -11.020 -7.608 1.527 1.00 0.00 C ATOM 1669 O LYS A 101 -11.895 -8.450 1.557 1.00 0.00 O ATOM 1670 CB LYS A 101 -8.954 -8.749 2.348 1.00 0.00 C ATOM 1671 CG LYS A 101 -9.501 -10.177 2.361 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.657 -11.038 3.301 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.884 -12.077 2.487 1.00 0.00 C ATOM 1674 NZ LYS A 101 -8.776 -13.231 2.183 1.00 0.00 N ATOM 0 H LYS A 101 -8.117 -6.492 1.668 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.558 -8.593 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.869 -8.765 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.180 -8.253 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.541 -10.176 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.483 -10.594 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.964 -10.411 3.861 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.298 -11.535 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.519 -11.632 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.010 -12.415 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.252 -13.938 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.104 -13.660 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.596 -12.901 1.635 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.274 -6.356 1.780 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.661 -5.928 2.115 1.00 0.00 C ATOM 1690 C CYS A 102 -13.355 -5.431 0.847 1.00 0.00 C ATOM 1691 O CYS A 102 -14.545 -5.599 0.671 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.611 -4.801 3.148 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.280 -5.397 4.721 1.00 0.00 S ATOM 0 H CYS A 102 -10.580 -5.608 1.769 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.216 -6.771 2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.584 -4.461 3.282 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -13.187 -3.945 2.796 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.236 -4.441 5.601 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.619 -4.820 -0.042 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.236 -4.318 -1.300 1.00 0.00 C ATOM 1701 C ILE A 103 -13.673 -5.511 -2.154 1.00 0.00 C ATOM 1702 O ILE A 103 -14.464 -5.378 -3.067 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.212 -3.472 -2.067 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.113 -2.088 -1.423 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.653 -3.315 -3.524 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.491 -1.426 -1.429 1.00 0.00 C ATOM 0 H ILE A 103 -11.618 -4.648 0.050 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.105 -3.702 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.242 -3.968 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.744 -2.176 -0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.399 -1.471 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.921 -2.713 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.728 -4.298 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.625 -2.822 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.423 -0.440 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.842 -1.325 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.192 -2.041 -0.865 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.166 -6.677 -1.861 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.555 -7.879 -2.652 1.00 0.00 C ATOM 1720 C GLU A 104 -14.980 -8.296 -2.281 1.00 0.00 C ATOM 1721 O GLU A 104 -15.532 -9.223 -2.838 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.593 -9.029 -2.342 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.195 -8.682 -2.863 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.390 -9.968 -3.060 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -10.593 -10.895 -2.293 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.583 -10.003 -3.975 1.00 0.00 O ATOM 0 H GLU A 104 -12.499 -6.849 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.509 -7.642 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.558 -9.208 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.948 -9.949 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.271 -8.140 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.685 -8.026 -2.158 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.580 -7.618 -1.341 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.968 -7.973 -0.932 1.00 0.00 C ATOM 1735 C GLY A 105 -17.684 -6.723 -0.424 1.00 0.00 C ATOM 1736 O GLY A 105 -18.690 -6.798 0.252 1.00 0.00 O ATOM 0 H GLY A 105 -15.168 -6.832 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.510 -8.398 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.945 -8.734 -0.152 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.164 -5.574 -0.743 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.802 -4.310 -0.283 1.00 0.00 C ATOM 1742 C LEU A 106 -18.411 -3.584 -1.478 1.00 0.00 C ATOM 1743 O LEU A 106 -18.048 -2.470 -1.796 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.749 -3.419 0.378 1.00 0.00 C ATOM 1745 CG LEU A 106 -16.892 -3.497 1.899 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -18.180 -2.794 2.327 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -16.945 -4.964 2.331 1.00 0.00 C ATOM 0 H LEU A 106 -16.321 -5.454 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.586 -4.539 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.750 -3.737 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.868 -2.388 0.044 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.038 -3.009 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -18.282 -2.850 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.144 -1.749 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.034 -3.281 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.047 -5.021 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -17.799 -5.451 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.027 -5.466 2.026 1.00 0.00 H new