USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 224 ASN : amide:sc= -1.81! C(o=-2.5!,f=-2.6!) USER MOD Set 1.2: A 232 THR OG1 : rot -82:sc= -0.693 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -1.59 X(o=-1.8,f=-1.5) USER MOD Set 2.2: A 197 TYR OH : rot 59:sc= -0.175 USER MOD Set 3.1: A 182 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Set 3.2: A 186 MET CE :methyl 151:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ -137:sc= 0.712 (180deg=0.0633) USER MOD Single : A 181 GLN : amide:sc= -4.39! C(o=-4.4!,f=-3.4!) USER MOD Single : A 189 SER OG : rot -48:sc= 0.312 USER MOD Single : A 193 LYS NZ :NH3+ 160:sc= -0.0951 (180deg=-0.575) USER MOD Single : A 195 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.15) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -3.24! C(o=-3.2!,f=-16!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -52:sc= 0.533 USER MOD Single : A 207 LYS NZ :NH3+ 162:sc= -0.0587 (180deg=-0.379) USER MOD Single : A 208 GLN : amide:sc= -3.76! C(o=-3.8!,f=-4.3!) USER MOD Single : A 212 TYR OH : rot 52:sc= 1.23 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -12.1! C(o=-12!,f=-1.6!) USER MOD Single : A 226 LYS NZ :NH3+ 155:sc= -2.47 (180deg=-3.67!) USER MOD Single : A 229 HIS : no HD1:sc= -4.27! C(o=-4.3!,f=-2.8!) USER MOD Single : A 230 LYS NZ :NH3+ 153:sc= -0.148 (180deg=-0.662) USER MOD Single : A 231 ASN : amide:sc= -0.0912 X(o=-0.091,f=-0.091) USER MOD Single : A 236 LYS NZ :NH3+ 130:sc= -1.06 (180deg=-1.61) USER MOD Single : A 239 TYR OH : rot -22:sc= -2.03! USER MOD Single : A 241 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 242 TYR OH : rot 163:sc= 1.26 USER MOD Single : A 243 GLN : amide:sc= 0.552 K(o=0.55,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 4.946 -13.296 -11.015 1.00 0.00 N ATOM 2 CA ARG A 175 3.582 -12.721 -11.216 1.00 0.00 C ATOM 3 C ARG A 175 3.602 -11.228 -10.883 1.00 0.00 C ATOM 4 O ARG A 175 4.558 -10.711 -10.342 1.00 0.00 O ATOM 5 CB ARG A 175 2.588 -13.433 -10.278 1.00 0.00 C ATOM 6 CG ARG A 175 1.110 -13.168 -10.708 1.00 0.00 C ATOM 7 CD ARG A 175 0.366 -12.350 -9.641 1.00 0.00 C ATOM 8 NE ARG A 175 -1.057 -12.188 -10.045 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.931 -11.737 -9.193 1.00 0.00 C ATOM 10 NH1 ARG A 175 -1.570 -11.427 -7.977 1.00 0.00 N ATOM 11 NH2 ARG A 175 -3.170 -11.588 -9.558 1.00 0.00 N ATOM 0 HA ARG A 175 3.278 -12.860 -12.254 1.00 0.00 H new ATOM 0 HB2 ARG A 175 2.784 -14.505 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 175 2.739 -13.087 -9.255 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.094 -12.634 -11.658 1.00 0.00 H new ATOM 0 HG3 ARG A 175 0.598 -14.117 -10.867 1.00 0.00 H new ATOM 0 HD2 ARG A 175 0.426 -12.851 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.835 -11.373 -9.523 1.00 0.00 H new ATOM 0 HE ARG A 175 -1.348 -12.431 -10.992 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -0.598 -11.538 -7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -2.260 -11.074 -7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -3.453 -11.824 -10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.858 -11.235 -8.893 1.00 0.00 H new ATOM 25 N ALA A 176 2.543 -10.537 -11.186 1.00 0.00 N ATOM 26 CA ALA A 176 2.490 -9.089 -10.868 1.00 0.00 C ATOM 27 C ALA A 176 2.503 -8.929 -9.350 1.00 0.00 C ATOM 28 O ALA A 176 2.455 -7.834 -8.827 1.00 0.00 O ATOM 29 CB ALA A 176 1.200 -8.493 -11.435 1.00 0.00 C ATOM 0 H ALA A 176 1.711 -10.914 -11.641 1.00 0.00 H new ATOM 0 HA ALA A 176 3.345 -8.574 -11.306 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.158 -7.429 -11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.181 -8.630 -12.516 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.341 -8.995 -10.990 1.00 0.00 H new ATOM 35 N ARG A 177 2.553 -10.022 -8.638 1.00 0.00 N ATOM 36 CA ARG A 177 2.558 -9.942 -7.152 1.00 0.00 C ATOM 37 C ARG A 177 3.910 -9.429 -6.673 1.00 0.00 C ATOM 38 O ARG A 177 4.067 -9.056 -5.530 1.00 0.00 O ATOM 39 CB ARG A 177 2.279 -11.326 -6.567 1.00 0.00 C ATOM 40 CG ARG A 177 2.216 -11.247 -5.038 1.00 0.00 C ATOM 41 CD ARG A 177 1.547 -12.513 -4.501 1.00 0.00 C ATOM 42 NE ARG A 177 1.714 -12.587 -3.022 1.00 0.00 N ATOM 43 CZ ARG A 177 0.957 -13.391 -2.330 1.00 0.00 C ATOM 44 NH1 ARG A 177 0.093 -14.146 -2.943 1.00 0.00 N ATOM 45 NH2 ARG A 177 1.076 -13.459 -1.035 1.00 0.00 N ATOM 0 H ARG A 177 2.591 -10.966 -9.022 1.00 0.00 H new ATOM 0 HA ARG A 177 1.782 -9.253 -6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.338 -11.712 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.060 -12.023 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.220 -11.147 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.655 -10.365 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 177 0.487 -12.511 -4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.986 -13.394 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 177 2.416 -12.013 -2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 177 0.011 -14.106 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -0.503 -14.778 -2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 177 1.765 -12.880 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 177 0.480 -14.091 -0.501 1.00 0.00 H new ATOM 59 N ALA A 178 4.883 -9.380 -7.540 1.00 0.00 N ATOM 60 CA ALA A 178 6.205 -8.856 -7.118 1.00 0.00 C ATOM 61 C ALA A 178 6.004 -7.400 -6.747 1.00 0.00 C ATOM 62 O ALA A 178 6.373 -6.949 -5.681 1.00 0.00 O ATOM 63 CB ALA A 178 7.180 -8.943 -8.285 1.00 0.00 C ATOM 0 H ALA A 178 4.818 -9.678 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 178 6.604 -9.428 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.152 -8.558 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.283 -9.983 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.803 -8.351 -9.119 1.00 0.00 H new ATOM 69 N ASP A 179 5.384 -6.674 -7.626 1.00 0.00 N ATOM 70 CA ASP A 179 5.103 -5.250 -7.350 1.00 0.00 C ATOM 71 C ASP A 179 4.209 -5.152 -6.117 1.00 0.00 C ATOM 72 O ASP A 179 4.388 -4.313 -5.277 1.00 0.00 O ATOM 73 CB ASP A 179 4.387 -4.636 -8.553 1.00 0.00 C ATOM 74 CG ASP A 179 5.385 -4.462 -9.699 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.514 -4.097 -9.421 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.006 -4.704 -10.831 1.00 0.00 O ATOM 0 H ASP A 179 5.058 -7.012 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 179 6.035 -4.713 -7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.563 -5.277 -8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 179 3.956 -3.673 -8.281 1.00 0.00 H new ATOM 81 N LYS A 180 3.239 -6.007 -6.003 1.00 0.00 N ATOM 82 CA LYS A 180 2.339 -5.934 -4.820 1.00 0.00 C ATOM 83 C LYS A 180 3.146 -5.870 -3.528 1.00 0.00 C ATOM 84 O LYS A 180 3.087 -4.906 -2.802 1.00 0.00 O ATOM 85 CB LYS A 180 1.446 -7.170 -4.789 1.00 0.00 C ATOM 86 CG LYS A 180 0.557 -7.132 -3.543 1.00 0.00 C ATOM 87 CD LYS A 180 -0.532 -8.199 -3.660 1.00 0.00 C ATOM 88 CE LYS A 180 -1.541 -8.023 -2.523 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.625 -9.032 -2.663 1.00 0.00 N ATOM 0 H LYS A 180 3.029 -6.749 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 180 1.733 -5.031 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 180 0.829 -7.208 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.057 -8.072 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.157 -7.306 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.105 -6.146 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -1.035 -8.117 -4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.088 -9.194 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.044 -8.139 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.960 -7.017 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.545 -8.581 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.613 -9.423 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.476 -9.799 -1.977 1.00 0.00 H new ATOM 103 N GLN A 181 3.895 -6.893 -3.233 1.00 0.00 N ATOM 104 CA GLN A 181 4.690 -6.894 -1.972 1.00 0.00 C ATOM 105 C GLN A 181 5.634 -5.692 -1.955 1.00 0.00 C ATOM 106 O GLN A 181 5.748 -4.985 -0.972 1.00 0.00 O ATOM 107 CB GLN A 181 5.513 -8.188 -1.918 1.00 0.00 C ATOM 108 CG GLN A 181 6.216 -8.308 -0.559 1.00 0.00 C ATOM 109 CD GLN A 181 7.500 -7.472 -0.567 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.495 -7.870 -1.139 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.514 -6.320 0.042 1.00 0.00 N ATOM 0 H GLN A 181 3.992 -7.729 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 181 4.023 -6.834 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 181 4.863 -9.049 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.251 -8.193 -2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.553 -7.966 0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.451 -9.352 -0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.678 -5.987 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.361 -5.752 0.039 1.00 0.00 H new ATOM 120 N HIS A 182 6.297 -5.453 -3.045 1.00 0.00 N ATOM 121 CA HIS A 182 7.233 -4.304 -3.127 1.00 0.00 C ATOM 122 C HIS A 182 6.457 -2.987 -3.043 1.00 0.00 C ATOM 123 O HIS A 182 6.925 -2.005 -2.495 1.00 0.00 O ATOM 124 CB HIS A 182 7.979 -4.410 -4.450 1.00 0.00 C ATOM 125 CG HIS A 182 8.920 -3.260 -4.623 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.791 -2.838 -3.632 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.127 -2.430 -5.687 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.474 -1.786 -4.121 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.108 -1.497 -5.372 1.00 0.00 N ATOM 0 H HIS A 182 6.230 -6.013 -3.895 1.00 0.00 H new ATOM 0 HA HIS A 182 7.940 -4.322 -2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.533 -5.348 -4.486 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.266 -4.429 -5.274 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.607 -2.489 -6.632 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.226 -1.242 -3.569 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.470 -0.752 -5.968 1.00 0.00 H new ATOM 137 N VAL A 183 5.272 -2.962 -3.573 1.00 0.00 N ATOM 138 CA VAL A 183 4.456 -1.722 -3.525 1.00 0.00 C ATOM 139 C VAL A 183 4.050 -1.443 -2.082 1.00 0.00 C ATOM 140 O VAL A 183 4.058 -0.313 -1.642 1.00 0.00 O ATOM 141 CB VAL A 183 3.210 -1.912 -4.405 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.199 -0.782 -4.144 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.625 -1.897 -5.895 1.00 0.00 C ATOM 0 H VAL A 183 4.829 -3.753 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 183 5.032 -0.875 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 183 2.746 -2.868 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.321 -0.927 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.901 -0.795 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.658 0.178 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.742 -2.032 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.095 -0.943 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.330 -2.706 -6.084 1.00 0.00 H new ATOM 153 N LEU A 184 3.705 -2.454 -1.328 1.00 0.00 N ATOM 154 CA LEU A 184 3.311 -2.195 0.080 1.00 0.00 C ATOM 155 C LEU A 184 4.436 -1.442 0.766 1.00 0.00 C ATOM 156 O LEU A 184 4.204 -0.529 1.533 1.00 0.00 O ATOM 157 CB LEU A 184 3.072 -3.512 0.810 1.00 0.00 C ATOM 158 CG LEU A 184 1.879 -4.249 0.193 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.742 -5.612 0.867 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.584 -3.440 0.389 1.00 0.00 C ATOM 0 H LEU A 184 3.680 -3.430 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 184 2.392 -1.609 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.964 -4.136 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.885 -3.322 1.867 1.00 0.00 H new ATOM 0 HG LEU A 184 2.047 -4.374 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.896 -6.147 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.654 -6.189 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.579 -5.475 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.253 -3.979 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.400 -3.300 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.686 -2.468 -0.093 1.00 0.00 H new ATOM 172 N ASP A 185 5.659 -1.797 0.491 1.00 0.00 N ATOM 173 CA ASP A 185 6.773 -1.063 1.136 1.00 0.00 C ATOM 174 C ASP A 185 6.620 0.416 0.785 1.00 0.00 C ATOM 175 O ASP A 185 6.770 1.282 1.624 1.00 0.00 O ATOM 176 CB ASP A 185 8.116 -1.576 0.615 1.00 0.00 C ATOM 177 CG ASP A 185 8.363 -2.999 1.118 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.772 -3.367 2.120 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.143 -3.697 0.490 1.00 0.00 O ATOM 0 H ASP A 185 5.930 -2.550 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 185 6.745 -1.210 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.123 -1.560 -0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.920 -0.919 0.948 1.00 0.00 H new ATOM 184 N MET A 186 6.305 0.713 -0.450 1.00 0.00 N ATOM 185 CA MET A 186 6.128 2.137 -0.842 1.00 0.00 C ATOM 186 C MET A 186 4.978 2.731 -0.036 1.00 0.00 C ATOM 187 O MET A 186 5.023 3.870 0.383 1.00 0.00 O ATOM 188 CB MET A 186 5.816 2.226 -2.342 1.00 0.00 C ATOM 189 CG MET A 186 6.988 1.642 -3.131 1.00 0.00 C ATOM 190 SD MET A 186 8.454 2.667 -2.863 1.00 0.00 S ATOM 191 CE MET A 186 9.551 1.787 -3.992 1.00 0.00 C ATOM 0 H MET A 186 6.164 0.033 -1.197 1.00 0.00 H new ATOM 0 HA MET A 186 7.043 2.693 -0.640 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.900 1.680 -2.569 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.648 3.264 -2.630 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.182 0.618 -2.812 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.745 1.605 -4.193 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.296 2.477 -4.387 1.00 0.00 H new ATOM 0 HE2 MET A 186 10.051 0.979 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 186 8.969 1.372 -4.815 1.00 0.00 H new ATOM 201 N LEU A 187 3.945 1.964 0.196 1.00 0.00 N ATOM 202 CA LEU A 187 2.799 2.494 0.986 1.00 0.00 C ATOM 203 C LEU A 187 3.259 2.749 2.420 1.00 0.00 C ATOM 204 O LEU A 187 2.989 3.786 2.991 1.00 0.00 O ATOM 205 CB LEU A 187 1.658 1.472 1.014 1.00 0.00 C ATOM 206 CG LEU A 187 1.234 1.090 -0.407 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.028 0.148 -0.324 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.857 2.346 -1.205 1.00 0.00 C ATOM 0 H LEU A 187 3.847 1.001 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 187 2.447 3.417 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.975 0.581 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.806 1.886 1.553 1.00 0.00 H new ATOM 0 HG LEU A 187 2.062 0.594 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.285 -0.132 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.303 -0.747 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.794 0.653 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.558 2.060 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.030 2.856 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.716 3.015 -1.258 1.00 0.00 H new ATOM 220 N PHE A 188 3.959 1.818 3.009 1.00 0.00 N ATOM 221 CA PHE A 188 4.427 2.025 4.405 1.00 0.00 C ATOM 222 C PHE A 188 5.306 3.271 4.463 1.00 0.00 C ATOM 223 O PHE A 188 5.211 4.064 5.377 1.00 0.00 O ATOM 224 CB PHE A 188 5.226 0.805 4.887 1.00 0.00 C ATOM 225 CG PHE A 188 4.277 -0.292 5.304 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.561 -0.156 6.495 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.106 -1.433 4.509 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.674 -1.156 6.901 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.217 -2.438 4.914 1.00 0.00 C ATOM 230 CZ PHE A 188 2.503 -2.298 6.111 1.00 0.00 C ATOM 0 H PHE A 188 4.225 0.929 2.586 1.00 0.00 H new ATOM 0 HA PHE A 188 3.562 2.155 5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.881 0.450 4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.865 1.084 5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.693 0.726 7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.658 -1.538 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.121 -1.048 7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.083 -3.319 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.819 -3.073 6.425 1.00 0.00 H new ATOM 240 N SER A 189 6.153 3.463 3.496 1.00 0.00 N ATOM 241 CA SER A 189 7.013 4.676 3.526 1.00 0.00 C ATOM 242 C SER A 189 6.112 5.909 3.514 1.00 0.00 C ATOM 243 O SER A 189 6.303 6.854 4.261 1.00 0.00 O ATOM 244 CB SER A 189 7.909 4.705 2.287 1.00 0.00 C ATOM 245 OG SER A 189 7.100 4.821 1.123 1.00 0.00 O ATOM 0 H SER A 189 6.288 2.844 2.697 1.00 0.00 H new ATOM 0 HA SER A 189 7.635 4.665 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.603 5.543 2.346 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.509 3.797 2.237 1.00 0.00 H new ATOM 0 HG SER A 189 6.370 4.169 1.166 1.00 0.00 H new ATOM 251 N ALA A 190 5.116 5.890 2.671 1.00 0.00 N ATOM 252 CA ALA A 190 4.169 7.037 2.586 1.00 0.00 C ATOM 253 C ALA A 190 3.353 7.106 3.872 1.00 0.00 C ATOM 254 O ALA A 190 3.241 8.142 4.496 1.00 0.00 O ATOM 255 CB ALA A 190 3.229 6.834 1.393 1.00 0.00 C ATOM 0 H ALA A 190 4.916 5.121 2.031 1.00 0.00 H new ATOM 0 HA ALA A 190 4.725 7.965 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.535 7.672 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.814 6.776 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.668 5.909 1.525 1.00 0.00 H new ATOM 261 N PHE A 191 2.789 6.000 4.276 1.00 0.00 N ATOM 262 CA PHE A 191 1.982 6.001 5.527 1.00 0.00 C ATOM 263 C PHE A 191 2.888 6.287 6.717 1.00 0.00 C ATOM 264 O PHE A 191 2.439 6.745 7.746 1.00 0.00 O ATOM 265 CB PHE A 191 1.263 4.654 5.708 1.00 0.00 C ATOM 266 CG PHE A 191 0.012 4.630 4.858 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.084 5.427 5.219 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.055 3.826 3.718 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.248 5.414 4.442 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.216 3.814 2.935 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.314 4.608 3.298 1.00 0.00 C ATOM 0 H PHE A 191 2.852 5.102 3.797 1.00 0.00 H new ATOM 0 HA PHE A 191 1.224 6.781 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.924 3.836 5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 191 1.006 4.505 6.757 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.030 6.052 6.098 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.789 3.213 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.094 6.024 4.724 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.266 3.194 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.210 4.598 2.696 1.00 0.00 H new ATOM 281 N GLU A 192 4.161 6.050 6.586 1.00 0.00 N ATOM 282 CA GLU A 192 5.078 6.352 7.716 1.00 0.00 C ATOM 283 C GLU A 192 5.194 7.874 7.833 1.00 0.00 C ATOM 284 O GLU A 192 5.526 8.410 8.872 1.00 0.00 O ATOM 285 CB GLU A 192 6.456 5.735 7.444 1.00 0.00 C ATOM 286 CG GLU A 192 7.406 6.033 8.604 1.00 0.00 C ATOM 287 CD GLU A 192 6.863 5.396 9.880 1.00 0.00 C ATOM 288 OE1 GLU A 192 6.811 4.178 9.932 1.00 0.00 O ATOM 289 OE2 GLU A 192 6.499 6.137 10.781 1.00 0.00 O ATOM 0 H GLU A 192 4.604 5.663 5.752 1.00 0.00 H new ATOM 0 HA GLU A 192 4.693 5.932 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.360 4.657 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.865 6.136 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 192 8.400 5.643 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 192 7.509 7.110 8.737 1.00 0.00 H new ATOM 296 N LYS A 193 4.932 8.565 6.753 1.00 0.00 N ATOM 297 CA LYS A 193 5.030 10.056 6.754 1.00 0.00 C ATOM 298 C LYS A 193 3.689 10.681 7.158 1.00 0.00 C ATOM 299 O LYS A 193 3.645 11.737 7.758 1.00 0.00 O ATOM 300 CB LYS A 193 5.385 10.513 5.340 1.00 0.00 C ATOM 301 CG LYS A 193 6.744 9.916 4.916 1.00 0.00 C ATOM 302 CD LYS A 193 7.890 10.800 5.425 1.00 0.00 C ATOM 303 CE LYS A 193 9.235 10.264 4.923 1.00 0.00 C ATOM 304 NZ LYS A 193 9.288 10.342 3.436 1.00 0.00 N ATOM 0 H LYS A 193 4.652 8.156 5.862 1.00 0.00 H new ATOM 0 HA LYS A 193 5.792 10.370 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.608 10.200 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.429 11.601 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 193 6.847 8.907 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.792 9.835 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 193 7.748 11.825 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.884 10.824 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 193 10.051 10.842 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 193 9.369 9.232 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.279 10.308 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.768 9.540 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.855 11.233 3.119 1.00 0.00 H new ATOM 318 N HIS A 194 2.593 10.046 6.836 1.00 0.00 N ATOM 319 CA HIS A 194 1.262 10.614 7.208 1.00 0.00 C ATOM 320 C HIS A 194 0.234 9.481 7.356 1.00 0.00 C ATOM 321 O HIS A 194 0.283 8.479 6.684 1.00 0.00 O ATOM 322 CB HIS A 194 0.803 11.610 6.135 1.00 0.00 C ATOM 323 CG HIS A 194 1.562 12.900 6.284 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.319 13.450 5.259 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.671 13.765 7.336 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.841 14.604 5.717 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.479 14.843 6.980 1.00 0.00 N ATOM 0 H HIS A 194 2.561 9.160 6.332 1.00 0.00 H new ATOM 0 HA HIS A 194 1.348 11.137 8.160 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.969 11.192 5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.267 11.793 6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 194 1.201 13.633 8.299 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.475 15.256 5.134 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.738 15.642 7.559 1.00 0.00 H new ATOM 335 N GLN A 195 -0.678 9.636 8.265 1.00 0.00 N ATOM 336 CA GLN A 195 -1.704 8.582 8.516 1.00 0.00 C ATOM 337 C GLN A 195 -2.671 8.434 7.322 1.00 0.00 C ATOM 338 O GLN A 195 -3.285 7.397 7.154 1.00 0.00 O ATOM 339 CB GLN A 195 -2.484 8.988 9.771 1.00 0.00 C ATOM 340 CG GLN A 195 -3.387 7.844 10.240 1.00 0.00 C ATOM 341 CD GLN A 195 -2.539 6.730 10.863 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.317 6.716 12.060 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.055 5.791 10.100 1.00 0.00 N ATOM 0 H GLN A 195 -0.762 10.461 8.858 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.211 7.619 8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.789 9.259 10.566 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.087 9.871 9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.108 8.214 10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -3.957 7.451 9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.241 5.802 9.097 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.490 5.045 10.506 1.00 0.00 H new ATOM 352 N TYR A 196 -2.850 9.464 6.517 1.00 0.00 N ATOM 353 CA TYR A 196 -3.832 9.376 5.371 1.00 0.00 C ATOM 354 C TYR A 196 -3.207 9.701 4.003 1.00 0.00 C ATOM 355 O TYR A 196 -2.317 10.519 3.880 1.00 0.00 O ATOM 356 CB TYR A 196 -4.943 10.386 5.630 1.00 0.00 C ATOM 357 CG TYR A 196 -5.689 10.000 6.881 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.749 9.090 6.807 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.331 10.564 8.111 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.449 8.737 7.960 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.033 10.209 9.268 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.096 9.299 9.191 1.00 0.00 C ATOM 363 OH TYR A 196 -7.787 8.945 10.331 1.00 0.00 O ATOM 0 H TYR A 196 -2.364 10.357 6.601 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.192 8.348 5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.523 11.386 5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.626 10.417 4.781 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.025 8.660 5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.516 11.270 8.167 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.263 8.030 7.902 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.756 10.636 10.220 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.416 9.424 11.101 1.00 0.00 H new ATOM 373 N TYR A 197 -3.729 9.075 2.969 1.00 0.00 N ATOM 374 CA TYR A 197 -3.257 9.336 1.568 1.00 0.00 C ATOM 375 C TYR A 197 -4.429 9.120 0.601 1.00 0.00 C ATOM 376 O TYR A 197 -5.088 8.100 0.637 1.00 0.00 O ATOM 377 CB TYR A 197 -2.108 8.385 1.184 1.00 0.00 C ATOM 378 CG TYR A 197 -0.803 8.903 1.735 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.447 8.650 3.060 1.00 0.00 C ATOM 380 CD2 TYR A 197 0.048 9.647 0.908 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.758 9.148 3.560 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.253 10.140 1.408 1.00 0.00 C ATOM 383 CZ TYR A 197 1.606 9.894 2.735 1.00 0.00 C ATOM 384 OH TYR A 197 2.785 10.392 3.234 1.00 0.00 O ATOM 0 H TYR A 197 -4.475 8.383 3.040 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.892 10.361 1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.306 7.386 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.045 8.297 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.100 8.072 3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.229 9.839 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 197 1.036 8.957 4.586 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.911 10.711 0.770 1.00 0.00 H new ATOM 0 HH TYR A 197 3.341 9.653 3.559 1.00 0.00 H new ATOM 394 N ASN A 198 -4.680 10.057 -0.275 1.00 0.00 N ATOM 395 CA ASN A 198 -5.797 9.881 -1.254 1.00 0.00 C ATOM 396 C ASN A 198 -5.254 9.136 -2.484 1.00 0.00 C ATOM 397 O ASN A 198 -4.058 9.000 -2.650 1.00 0.00 O ATOM 398 CB ASN A 198 -6.354 11.253 -1.659 1.00 0.00 C ATOM 399 CG ASN A 198 -5.364 11.989 -2.551 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.188 11.685 -2.555 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.797 12.950 -3.320 1.00 0.00 N ATOM 0 H ASN A 198 -4.164 10.933 -0.356 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.605 9.304 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.301 11.127 -2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.560 11.846 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.147 13.449 -3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.785 13.202 -3.314 1.00 0.00 H new ATOM 408 N LEU A 199 -6.108 8.639 -3.342 1.00 0.00 N ATOM 409 CA LEU A 199 -5.609 7.892 -4.541 1.00 0.00 C ATOM 410 C LEU A 199 -4.645 8.768 -5.356 1.00 0.00 C ATOM 411 O LEU A 199 -3.628 8.302 -5.831 1.00 0.00 O ATOM 412 CB LEU A 199 -6.788 7.496 -5.442 1.00 0.00 C ATOM 413 CG LEU A 199 -7.686 6.455 -4.752 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.866 6.129 -5.675 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.888 5.169 -4.455 1.00 0.00 C ATOM 0 H LEU A 199 -7.122 8.716 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.088 7.000 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.375 8.381 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.412 7.091 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.051 6.861 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.510 5.391 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.437 7.037 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.491 5.727 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.537 4.442 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.512 4.750 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.050 5.404 -3.799 1.00 0.00 H new ATOM 427 N LYS A 200 -4.963 10.019 -5.547 1.00 0.00 N ATOM 428 CA LYS A 200 -4.070 10.899 -6.359 1.00 0.00 C ATOM 429 C LYS A 200 -2.664 11.001 -5.755 1.00 0.00 C ATOM 430 O LYS A 200 -1.680 11.038 -6.466 1.00 0.00 O ATOM 431 CB LYS A 200 -4.670 12.295 -6.489 1.00 0.00 C ATOM 432 CG LYS A 200 -3.724 13.153 -7.340 1.00 0.00 C ATOM 433 CD LYS A 200 -4.407 14.460 -7.760 1.00 0.00 C ATOM 434 CE LYS A 200 -5.301 14.236 -8.991 1.00 0.00 C ATOM 435 NZ LYS A 200 -5.757 15.558 -9.513 1.00 0.00 N ATOM 0 H LYS A 200 -5.800 10.471 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.984 10.444 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.655 12.243 -6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.805 12.743 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -2.819 13.375 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -3.418 12.596 -8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -5.006 14.844 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -3.653 15.214 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -4.750 13.697 -9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -6.160 13.621 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -6.362 15.412 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -6.296 16.055 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -4.930 16.129 -9.781 1.00 0.00 H new ATOM 449 N ASP A 201 -2.543 11.074 -4.460 1.00 0.00 N ATOM 450 CA ASP A 201 -1.179 11.194 -3.863 1.00 0.00 C ATOM 451 C ASP A 201 -0.401 9.899 -4.096 1.00 0.00 C ATOM 452 O ASP A 201 0.779 9.913 -4.381 1.00 0.00 O ATOM 453 CB ASP A 201 -1.287 11.438 -2.353 1.00 0.00 C ATOM 454 CG ASP A 201 -1.806 12.850 -2.082 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.686 13.686 -2.961 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.317 13.069 -0.996 1.00 0.00 O ATOM 0 H ASP A 201 -3.316 11.056 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.662 12.030 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -1.958 10.704 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.312 11.305 -1.885 1.00 0.00 H new ATOM 461 N LEU A 202 -1.049 8.781 -3.958 1.00 0.00 N ATOM 462 CA LEU A 202 -0.349 7.481 -4.149 1.00 0.00 C ATOM 463 C LEU A 202 0.230 7.362 -5.565 1.00 0.00 C ATOM 464 O LEU A 202 1.321 6.860 -5.744 1.00 0.00 O ATOM 465 CB LEU A 202 -1.340 6.340 -3.916 1.00 0.00 C ATOM 466 CG LEU A 202 -1.761 6.274 -2.440 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.861 5.221 -2.307 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.567 5.886 -1.546 1.00 0.00 C ATOM 0 H LEU A 202 -2.038 8.709 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 202 0.474 7.426 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.220 6.483 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -0.888 5.394 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.120 7.252 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.178 5.155 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.711 5.503 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.479 4.253 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.889 5.846 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.189 4.909 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.224 6.629 -1.652 1.00 0.00 H new ATOM 480 N VAL A 203 -0.471 7.798 -6.580 1.00 0.00 N ATOM 481 CA VAL A 203 0.095 7.665 -7.956 1.00 0.00 C ATOM 482 C VAL A 203 1.346 8.529 -8.105 1.00 0.00 C ATOM 483 O VAL A 203 2.305 8.138 -8.741 1.00 0.00 O ATOM 484 CB VAL A 203 -0.937 8.044 -9.020 1.00 0.00 C ATOM 485 CG1 VAL A 203 -1.994 6.946 -9.113 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.622 9.351 -8.646 1.00 0.00 C ATOM 0 H VAL A 203 -1.392 8.232 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 203 0.367 6.620 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.429 8.162 -9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.731 7.213 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.518 6.005 -9.387 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.489 6.835 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.354 9.610 -9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.125 9.236 -7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.878 10.144 -8.573 1.00 0.00 H new ATOM 496 N ASP A 204 1.365 9.694 -7.523 1.00 0.00 N ATOM 497 CA ASP A 204 2.581 10.542 -7.648 1.00 0.00 C ATOM 498 C ASP A 204 3.766 9.767 -7.089 1.00 0.00 C ATOM 499 O ASP A 204 4.848 9.776 -7.641 1.00 0.00 O ATOM 500 CB ASP A 204 2.382 11.821 -6.842 1.00 0.00 C ATOM 501 CG ASP A 204 3.597 12.732 -7.006 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.520 12.338 -7.698 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.588 13.806 -6.427 1.00 0.00 O ATOM 0 H ASP A 204 0.603 10.092 -6.974 1.00 0.00 H new ATOM 0 HA ASP A 204 2.762 10.798 -8.692 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.482 12.336 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.237 11.579 -5.789 1.00 0.00 H new ATOM 508 N ILE A 205 3.559 9.084 -6.005 1.00 0.00 N ATOM 509 CA ILE A 205 4.658 8.285 -5.413 1.00 0.00 C ATOM 510 C ILE A 205 4.939 7.098 -6.332 1.00 0.00 C ATOM 511 O ILE A 205 6.048 6.609 -6.413 1.00 0.00 O ATOM 512 CB ILE A 205 4.235 7.785 -4.034 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.804 8.980 -3.189 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.415 7.090 -3.353 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.318 8.493 -1.823 1.00 0.00 C ATOM 0 H ILE A 205 2.673 9.044 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 205 5.556 8.894 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 205 3.411 7.079 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.638 9.670 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 205 3.009 9.528 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 205 5.109 6.734 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.739 6.244 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.239 7.795 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.010 9.348 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.471 7.820 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.126 7.964 -1.317 1.00 0.00 H new ATOM 527 N THR A 206 3.925 6.626 -7.024 1.00 0.00 N ATOM 528 CA THR A 206 4.102 5.459 -7.940 1.00 0.00 C ATOM 529 C THR A 206 3.314 5.677 -9.237 1.00 0.00 C ATOM 530 O THR A 206 2.124 5.871 -9.231 1.00 0.00 O ATOM 531 CB THR A 206 3.571 4.203 -7.250 1.00 0.00 C ATOM 532 OG1 THR A 206 2.209 4.395 -6.889 1.00 0.00 O ATOM 533 CG2 THR A 206 4.399 3.920 -6.001 1.00 0.00 C ATOM 0 H THR A 206 2.978 7.004 -6.990 1.00 0.00 H new ATOM 0 HA THR A 206 5.160 5.349 -8.176 1.00 0.00 H new ATOM 0 HB THR A 206 3.645 3.356 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 206 2.119 5.231 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.020 3.024 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.441 3.767 -6.282 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.328 4.767 -5.318 1.00 0.00 H new ATOM 541 N LYS A 207 3.972 5.623 -10.352 1.00 0.00 N ATOM 542 CA LYS A 207 3.268 5.818 -11.651 1.00 0.00 C ATOM 543 C LYS A 207 2.544 4.527 -12.045 1.00 0.00 C ATOM 544 O LYS A 207 2.313 4.267 -13.209 1.00 0.00 O ATOM 545 CB LYS A 207 4.283 6.183 -12.746 1.00 0.00 C ATOM 546 CG LYS A 207 4.901 7.576 -12.482 1.00 0.00 C ATOM 547 CD LYS A 207 6.150 7.452 -11.593 1.00 0.00 C ATOM 548 CE LYS A 207 6.756 8.838 -11.347 1.00 0.00 C ATOM 549 NZ LYS A 207 5.782 9.688 -10.602 1.00 0.00 N ATOM 0 H LYS A 207 4.975 5.451 -10.426 1.00 0.00 H new ATOM 0 HA LYS A 207 2.544 6.626 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 207 5.072 5.431 -12.782 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.792 6.177 -13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 207 5.166 8.048 -13.428 1.00 0.00 H new ATOM 0 HG3 LYS A 207 4.166 8.221 -11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 207 5.886 6.987 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 207 6.885 6.804 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 207 7.681 8.745 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 207 7.011 9.308 -12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 6.281 10.494 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 5.055 10.039 -11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 5.330 9.124 -9.854 1.00 0.00 H new ATOM 563 N GLN A 208 2.187 3.707 -11.092 1.00 0.00 N ATOM 564 CA GLN A 208 1.489 2.438 -11.437 1.00 0.00 C ATOM 565 C GLN A 208 -0.021 2.718 -11.602 1.00 0.00 C ATOM 566 O GLN A 208 -0.553 3.590 -10.944 1.00 0.00 O ATOM 567 CB GLN A 208 1.701 1.440 -10.302 1.00 0.00 C ATOM 568 CG GLN A 208 3.194 1.158 -10.159 1.00 0.00 C ATOM 569 CD GLN A 208 3.435 0.398 -8.859 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.001 -0.728 -8.714 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.110 0.968 -7.899 1.00 0.00 N ATOM 0 H GLN A 208 2.348 3.861 -10.097 1.00 0.00 H new ATOM 0 HA GLN A 208 1.885 2.031 -12.367 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.303 1.840 -9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.162 0.516 -10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.549 0.574 -11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.755 2.093 -10.158 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.473 1.913 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.274 0.469 -7.025 1.00 0.00 H new ATOM 580 N PRO A 209 -0.717 1.992 -12.463 1.00 0.00 N ATOM 581 CA PRO A 209 -2.185 2.204 -12.676 1.00 0.00 C ATOM 582 C PRO A 209 -2.966 2.198 -11.348 1.00 0.00 C ATOM 583 O PRO A 209 -2.751 1.355 -10.500 1.00 0.00 O ATOM 584 CB PRO A 209 -2.617 1.023 -13.572 1.00 0.00 C ATOM 585 CG PRO A 209 -1.363 0.526 -14.229 1.00 0.00 C ATOM 586 CD PRO A 209 -0.190 0.911 -13.318 1.00 0.00 C ATOM 0 HA PRO A 209 -2.391 3.174 -13.128 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -3.087 0.236 -12.982 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.347 1.343 -14.315 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.404 -0.554 -14.368 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.244 0.970 -15.217 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.143 0.062 -12.722 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.668 1.249 -13.899 1.00 0.00 H new ATOM 594 N VAL A 210 -3.873 3.123 -11.158 1.00 0.00 N ATOM 595 CA VAL A 210 -4.653 3.145 -9.887 1.00 0.00 C ATOM 596 C VAL A 210 -5.418 1.838 -9.746 1.00 0.00 C ATOM 597 O VAL A 210 -5.519 1.273 -8.677 1.00 0.00 O ATOM 598 CB VAL A 210 -5.629 4.320 -9.900 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.833 5.615 -9.973 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.546 4.225 -11.119 1.00 0.00 C ATOM 0 H VAL A 210 -4.105 3.859 -11.825 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.973 3.260 -9.043 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.236 4.299 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.518 6.463 -9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.177 5.688 -9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.233 5.622 -10.883 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.238 5.067 -11.120 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.946 4.248 -12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.109 3.292 -11.079 1.00 0.00 H new ATOM 610 N VAL A 211 -5.956 1.355 -10.824 1.00 0.00 N ATOM 611 CA VAL A 211 -6.722 0.087 -10.769 1.00 0.00 C ATOM 612 C VAL A 211 -5.876 -0.970 -10.069 1.00 0.00 C ATOM 613 O VAL A 211 -6.369 -1.764 -9.296 1.00 0.00 O ATOM 614 CB VAL A 211 -7.036 -0.367 -12.194 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.956 -1.589 -12.161 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.724 0.772 -12.944 1.00 0.00 C ATOM 0 H VAL A 211 -5.898 1.787 -11.746 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.653 0.232 -10.221 1.00 0.00 H new ATOM 0 HB VAL A 211 -6.109 -0.634 -12.701 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.175 -1.907 -13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -7.464 -2.401 -11.626 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -8.885 -1.331 -11.653 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -7.950 0.453 -13.962 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -8.649 1.038 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -7.064 1.639 -12.974 1.00 0.00 H new ATOM 626 N TYR A 212 -4.602 -0.979 -10.323 1.00 0.00 N ATOM 627 CA TYR A 212 -3.733 -1.983 -9.656 1.00 0.00 C ATOM 628 C TYR A 212 -3.616 -1.625 -8.178 1.00 0.00 C ATOM 629 O TYR A 212 -3.764 -2.459 -7.308 1.00 0.00 O ATOM 630 CB TYR A 212 -2.348 -1.973 -10.302 1.00 0.00 C ATOM 631 CG TYR A 212 -1.494 -3.034 -9.657 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.690 -4.376 -9.994 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.505 -2.679 -8.731 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.898 -5.367 -9.408 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.285 -3.672 -8.141 1.00 0.00 C ATOM 636 CZ TYR A 212 0.088 -5.016 -8.483 1.00 0.00 C ATOM 637 OH TYR A 212 0.875 -5.994 -7.917 1.00 0.00 O ATOM 0 H TYR A 212 -4.126 -0.340 -10.959 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.165 -2.978 -9.762 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.432 -2.158 -11.373 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.885 -0.994 -10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.454 -4.647 -10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.352 -1.641 -8.473 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.048 -6.404 -9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.045 -3.403 -7.423 1.00 0.00 H new ATOM 0 HH TYR A 212 1.267 -6.549 -8.624 1.00 0.00 H new ATOM 647 N LEU A 213 -3.363 -0.382 -7.891 1.00 0.00 N ATOM 648 CA LEU A 213 -3.248 0.052 -6.470 1.00 0.00 C ATOM 649 C LEU A 213 -4.607 -0.104 -5.774 1.00 0.00 C ATOM 650 O LEU A 213 -4.687 -0.526 -4.637 1.00 0.00 O ATOM 651 CB LEU A 213 -2.822 1.522 -6.429 1.00 0.00 C ATOM 652 CG LEU A 213 -1.423 1.680 -7.047 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.126 3.169 -7.254 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.352 1.076 -6.123 1.00 0.00 C ATOM 0 H LEU A 213 -3.230 0.357 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.507 -0.562 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.541 2.133 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.816 1.879 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.401 1.156 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.135 3.285 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.871 3.599 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.161 3.684 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.631 1.198 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.372 1.587 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.555 0.015 -5.976 1.00 0.00 H new ATOM 666 N LYS A 214 -5.674 0.233 -6.446 1.00 0.00 N ATOM 667 CA LYS A 214 -7.019 0.105 -5.812 1.00 0.00 C ATOM 668 C LYS A 214 -7.262 -1.352 -5.409 1.00 0.00 C ATOM 669 O LYS A 214 -7.854 -1.630 -4.385 1.00 0.00 O ATOM 670 CB LYS A 214 -8.113 0.577 -6.788 1.00 0.00 C ATOM 671 CG LYS A 214 -8.048 2.112 -6.953 1.00 0.00 C ATOM 672 CD LYS A 214 -9.399 2.653 -7.438 1.00 0.00 C ATOM 673 CE LYS A 214 -9.670 2.163 -8.862 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.821 2.917 -9.431 1.00 0.00 N ATOM 0 H LYS A 214 -5.674 0.590 -7.402 1.00 0.00 H new ATOM 0 HA LYS A 214 -7.055 0.732 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.982 0.093 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -9.095 0.284 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.783 2.576 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.266 2.375 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -10.195 2.321 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.396 3.743 -7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.785 2.305 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.887 1.095 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -11.008 2.586 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.664 2.760 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.596 3.932 -9.449 1.00 0.00 H new ATOM 688 N GLU A 215 -6.812 -2.286 -6.196 1.00 0.00 N ATOM 689 CA GLU A 215 -7.026 -3.719 -5.840 1.00 0.00 C ATOM 690 C GLU A 215 -6.263 -4.056 -4.549 1.00 0.00 C ATOM 691 O GLU A 215 -6.778 -4.722 -3.672 1.00 0.00 O ATOM 692 CB GLU A 215 -6.523 -4.602 -6.980 1.00 0.00 C ATOM 693 CG GLU A 215 -7.467 -4.478 -8.176 1.00 0.00 C ATOM 694 CD GLU A 215 -6.795 -5.066 -9.419 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.662 -5.502 -9.302 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.423 -5.066 -10.465 1.00 0.00 O ATOM 0 H GLU A 215 -6.307 -2.123 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.089 -3.898 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.514 -4.304 -7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.468 -5.640 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.401 -5.002 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.720 -3.431 -8.347 1.00 0.00 H new ATOM 703 N ILE A 216 -5.044 -3.595 -4.420 1.00 0.00 N ATOM 704 CA ILE A 216 -4.258 -3.883 -3.183 1.00 0.00 C ATOM 705 C ILE A 216 -4.892 -3.134 -2.015 1.00 0.00 C ATOM 706 O ILE A 216 -5.035 -3.660 -0.928 1.00 0.00 O ATOM 707 CB ILE A 216 -2.813 -3.415 -3.390 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.161 -4.285 -4.470 1.00 0.00 C ATOM 709 CG2 ILE A 216 -2.015 -3.518 -2.077 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.851 -3.641 -4.921 1.00 0.00 C ATOM 0 H ILE A 216 -4.560 -3.031 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.259 -4.952 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.814 -2.371 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.972 -5.285 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.835 -4.396 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.992 -3.181 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.483 -2.892 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -2.005 -4.554 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.387 -4.260 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -1.054 -2.650 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.176 -3.553 -4.069 1.00 0.00 H new ATOM 722 N LEU A 217 -5.293 -1.915 -2.239 1.00 0.00 N ATOM 723 CA LEU A 217 -5.944 -1.134 -1.150 1.00 0.00 C ATOM 724 C LEU A 217 -7.310 -1.752 -0.846 1.00 0.00 C ATOM 725 O LEU A 217 -7.793 -1.725 0.263 1.00 0.00 O ATOM 726 CB LEU A 217 -6.150 0.312 -1.599 1.00 0.00 C ATOM 727 CG LEU A 217 -4.796 1.011 -1.800 1.00 0.00 C ATOM 728 CD1 LEU A 217 -5.029 2.419 -2.380 1.00 0.00 C ATOM 729 CD2 LEU A 217 -4.041 1.122 -0.457 1.00 0.00 C ATOM 0 H LEU A 217 -5.199 -1.425 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.310 -1.153 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.718 0.333 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.737 0.850 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.193 0.422 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.070 2.917 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.542 2.337 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.640 3.000 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -3.084 1.619 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.637 1.701 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.868 0.124 -0.053 1.00 0.00 H new ATOM 741 N LYS A 218 -7.950 -2.303 -1.829 1.00 0.00 N ATOM 742 CA LYS A 218 -9.283 -2.899 -1.590 1.00 0.00 C ATOM 743 C LYS A 218 -9.179 -4.010 -0.544 1.00 0.00 C ATOM 744 O LYS A 218 -10.049 -4.169 0.291 1.00 0.00 O ATOM 745 CB LYS A 218 -9.810 -3.469 -2.906 1.00 0.00 C ATOM 746 CG LYS A 218 -11.221 -4.026 -2.698 1.00 0.00 C ATOM 747 CD LYS A 218 -11.915 -4.182 -4.055 1.00 0.00 C ATOM 748 CE LYS A 218 -13.325 -4.747 -3.856 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.949 -4.997 -5.189 1.00 0.00 N ATOM 0 H LYS A 218 -7.608 -2.367 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.967 -2.136 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.824 -2.692 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.147 -4.256 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.172 -4.989 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.797 -3.357 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.968 -3.217 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.335 -4.846 -4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.281 -5.673 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.932 -4.046 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.907 -5.381 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -14.004 -4.104 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -13.372 -5.680 -5.720 1.00 0.00 H new ATOM 763 N GLU A 219 -8.133 -4.788 -0.580 1.00 0.00 N ATOM 764 CA GLU A 219 -8.004 -5.892 0.409 1.00 0.00 C ATOM 765 C GLU A 219 -7.564 -5.356 1.781 1.00 0.00 C ATOM 766 O GLU A 219 -8.250 -5.536 2.768 1.00 0.00 O ATOM 767 CB GLU A 219 -6.970 -6.897 -0.104 1.00 0.00 C ATOM 768 CG GLU A 219 -7.540 -7.633 -1.318 1.00 0.00 C ATOM 769 CD GLU A 219 -6.486 -8.589 -1.882 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.408 -8.125 -2.212 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.777 -9.771 -1.976 1.00 0.00 O ATOM 0 H GLU A 219 -7.366 -4.707 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.975 -6.373 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -6.049 -6.382 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.717 -7.609 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.433 -8.188 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.841 -6.916 -2.082 1.00 0.00 H new ATOM 778 N ILE A 220 -6.418 -4.723 1.862 1.00 0.00 N ATOM 779 CA ILE A 220 -5.929 -4.210 3.186 1.00 0.00 C ATOM 780 C ILE A 220 -6.181 -2.714 3.336 1.00 0.00 C ATOM 781 O ILE A 220 -5.974 -2.157 4.385 1.00 0.00 O ATOM 782 CB ILE A 220 -4.420 -4.475 3.295 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.662 -3.754 2.158 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.167 -5.980 3.184 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.153 -3.759 2.439 1.00 0.00 C ATOM 0 H ILE A 220 -5.800 -4.539 1.072 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.474 -4.728 3.975 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.064 -4.099 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.864 -4.247 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.019 -2.728 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.097 -6.176 3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.689 -6.497 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.534 -6.341 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.631 -3.248 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.956 -3.245 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.799 -4.788 2.507 1.00 0.00 H new ATOM 797 N GLY A 221 -6.587 -2.048 2.297 1.00 0.00 N ATOM 798 CA GLY A 221 -6.804 -0.572 2.407 1.00 0.00 C ATOM 799 C GLY A 221 -8.181 -0.258 2.999 1.00 0.00 C ATOM 800 O GLY A 221 -8.961 -1.136 3.311 1.00 0.00 O ATOM 0 H GLY A 221 -6.779 -2.452 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.027 -0.133 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.716 -0.114 1.422 1.00 0.00 H new ATOM 804 N VAL A 222 -8.472 1.008 3.140 1.00 0.00 N ATOM 805 CA VAL A 222 -9.783 1.457 3.691 1.00 0.00 C ATOM 806 C VAL A 222 -10.173 2.721 2.933 1.00 0.00 C ATOM 807 O VAL A 222 -9.387 3.245 2.187 1.00 0.00 O ATOM 808 CB VAL A 222 -9.636 1.776 5.184 1.00 0.00 C ATOM 809 CG1 VAL A 222 -10.960 2.317 5.741 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.225 0.503 5.930 1.00 0.00 C ATOM 0 H VAL A 222 -7.839 1.768 2.890 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.541 0.682 3.579 1.00 0.00 H new ATOM 0 HB VAL A 222 -8.869 2.539 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -10.844 2.540 6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.235 3.226 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.742 1.569 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.119 0.722 6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -9.989 -0.262 5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.275 0.142 5.537 1.00 0.00 H new ATOM 820 N GLN A 223 -11.368 3.218 3.103 1.00 0.00 N ATOM 821 CA GLN A 223 -11.780 4.452 2.356 1.00 0.00 C ATOM 822 C GLN A 223 -12.584 5.367 3.275 1.00 0.00 C ATOM 823 O GLN A 223 -13.263 4.923 4.178 1.00 0.00 O ATOM 824 CB GLN A 223 -12.646 4.050 1.153 1.00 0.00 C ATOM 825 CG GLN A 223 -13.132 5.298 0.401 1.00 0.00 C ATOM 826 CD GLN A 223 -11.942 6.158 -0.030 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.197 5.791 -0.916 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.737 7.298 0.569 1.00 0.00 N ATOM 0 H GLN A 223 -12.078 2.828 3.723 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.891 4.980 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.072 3.413 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.502 3.466 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.710 5.001 -0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.797 5.880 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.365 7.603 1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.949 7.884 0.294 1.00 0.00 H new ATOM 837 N ASN A 224 -12.505 6.653 3.047 1.00 0.00 N ATOM 838 CA ASN A 224 -13.253 7.615 3.900 1.00 0.00 C ATOM 839 C ASN A 224 -13.562 8.874 3.080 1.00 0.00 C ATOM 840 O ASN A 224 -12.671 9.611 2.694 1.00 0.00 O ATOM 841 CB ASN A 224 -12.385 7.999 5.105 1.00 0.00 C ATOM 842 CG ASN A 224 -11.606 6.772 5.579 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.047 6.056 6.454 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.453 6.502 5.026 1.00 0.00 N ATOM 0 H ASN A 224 -11.951 7.077 2.303 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.182 7.161 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.696 8.798 4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.011 8.380 5.912 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.920 5.687 5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.086 7.106 4.291 1.00 0.00 H new ATOM 851 N VAL A 225 -14.822 9.132 2.826 1.00 0.00 N ATOM 852 CA VAL A 225 -15.206 10.354 2.053 1.00 0.00 C ATOM 853 C VAL A 225 -15.581 11.449 3.052 1.00 0.00 C ATOM 854 O VAL A 225 -16.351 11.236 3.967 1.00 0.00 O ATOM 855 CB VAL A 225 -16.400 10.052 1.133 1.00 0.00 C ATOM 856 CG1 VAL A 225 -15.991 9.055 0.049 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.542 9.450 1.950 1.00 0.00 C ATOM 0 H VAL A 225 -15.603 8.547 3.122 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.372 10.678 1.430 1.00 0.00 H new ATOM 0 HB VAL A 225 -16.725 10.983 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -16.845 8.849 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.180 9.476 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.656 8.128 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.386 9.238 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.206 8.526 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.850 10.157 2.720 1.00 0.00 H new ATOM 867 N LYS A 226 -15.012 12.609 2.905 1.00 0.00 N ATOM 868 CA LYS A 226 -15.295 13.725 3.858 1.00 0.00 C ATOM 869 C LYS A 226 -16.339 14.677 3.264 1.00 0.00 C ATOM 870 O LYS A 226 -17.024 14.345 2.318 1.00 0.00 O ATOM 871 CB LYS A 226 -13.995 14.483 4.129 1.00 0.00 C ATOM 872 CG LYS A 226 -12.830 13.495 4.297 1.00 0.00 C ATOM 873 CD LYS A 226 -13.094 12.501 5.440 1.00 0.00 C ATOM 874 CE LYS A 226 -13.313 13.236 6.777 1.00 0.00 C ATOM 875 NZ LYS A 226 -14.761 13.554 6.962 1.00 0.00 N ATOM 0 H LYS A 226 -14.355 12.839 2.159 1.00 0.00 H new ATOM 0 HA LYS A 226 -15.689 13.318 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.786 15.167 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.100 15.089 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -12.678 12.949 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -11.911 14.045 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -13.971 11.898 5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -12.251 11.816 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.961 12.617 7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -12.727 14.155 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -14.969 13.646 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -14.984 14.448 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -15.339 12.789 6.558 1.00 0.00 H new ATOM 889 N GLY A 227 -16.468 15.856 3.831 1.00 0.00 N ATOM 890 CA GLY A 227 -17.472 16.845 3.322 1.00 0.00 C ATOM 891 C GLY A 227 -17.497 16.834 1.788 1.00 0.00 C ATOM 892 O GLY A 227 -18.340 16.204 1.182 1.00 0.00 O ATOM 0 H GLY A 227 -15.918 16.176 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.461 16.603 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -17.224 17.844 3.682 1.00 0.00 H new ATOM 896 N ILE A 228 -16.575 17.514 1.151 1.00 0.00 N ATOM 897 CA ILE A 228 -16.562 17.515 -0.346 1.00 0.00 C ATOM 898 C ILE A 228 -16.177 16.126 -0.846 1.00 0.00 C ATOM 899 O ILE A 228 -16.028 15.899 -2.027 1.00 0.00 O ATOM 900 CB ILE A 228 -15.583 18.559 -0.897 1.00 0.00 C ATOM 901 CG1 ILE A 228 -14.176 18.313 -0.360 1.00 0.00 C ATOM 902 CG2 ILE A 228 -16.030 19.960 -0.489 1.00 0.00 C ATOM 903 CD1 ILE A 228 -13.206 19.290 -1.039 1.00 0.00 C ATOM 0 H ILE A 228 -15.839 18.062 1.596 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.559 17.776 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.573 18.475 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -14.156 18.452 0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.873 17.284 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -15.329 20.695 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -17.025 20.155 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -16.056 20.031 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -12.197 19.122 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -13.222 19.128 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -13.509 20.314 -0.821 1.00 0.00 H new ATOM 915 N HIS A 229 -16.036 15.199 0.066 1.00 0.00 N ATOM 916 CA HIS A 229 -15.684 13.790 -0.284 1.00 0.00 C ATOM 917 C HIS A 229 -14.180 13.636 -0.512 1.00 0.00 C ATOM 918 O HIS A 229 -13.759 13.001 -1.457 1.00 0.00 O ATOM 919 CB HIS A 229 -16.427 13.340 -1.548 1.00 0.00 C ATOM 920 CG HIS A 229 -17.818 13.891 -1.535 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.453 14.285 -2.696 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.704 14.133 -0.517 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.671 14.738 -2.357 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.878 14.667 -1.038 1.00 0.00 N ATOM 0 H HIS A 229 -16.153 15.365 1.066 1.00 0.00 H new ATOM 0 HA HIS A 229 -15.984 13.165 0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.897 13.685 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.457 12.251 -1.597 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.519 13.939 0.529 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.395 15.114 -3.064 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.715 14.944 -0.525 1.00 0.00 H new ATOM 932 N LYS A 230 -13.363 14.167 0.354 1.00 0.00 N ATOM 933 CA LYS A 230 -11.898 13.975 0.164 1.00 0.00 C ATOM 934 C LYS A 230 -11.604 12.476 0.249 1.00 0.00 C ATOM 935 O LYS A 230 -11.891 11.834 1.237 1.00 0.00 O ATOM 936 CB LYS A 230 -11.107 14.730 1.254 1.00 0.00 C ATOM 937 CG LYS A 230 -10.948 16.239 0.901 1.00 0.00 C ATOM 938 CD LYS A 230 -11.890 17.111 1.747 1.00 0.00 C ATOM 939 CE LYS A 230 -11.322 17.316 3.152 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.093 18.145 3.058 1.00 0.00 N ATOM 0 H LYS A 230 -13.638 14.715 1.169 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.594 14.370 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.619 14.631 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.123 14.277 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -9.916 16.547 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -11.160 16.392 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -12.032 18.077 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -12.870 16.639 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.059 17.805 3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.093 16.354 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -9.956 18.664 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -9.272 17.530 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.190 18.822 2.274 1.00 0.00 H new ATOM 954 N ASN A 231 -11.054 11.904 -0.788 1.00 0.00 N ATOM 955 CA ASN A 231 -10.775 10.442 -0.756 1.00 0.00 C ATOM 956 C ASN A 231 -9.520 10.164 0.066 1.00 0.00 C ATOM 957 O ASN A 231 -8.454 10.634 -0.253 1.00 0.00 O ATOM 958 CB ASN A 231 -10.550 9.935 -2.185 1.00 0.00 C ATOM 959 CG ASN A 231 -11.532 10.619 -3.127 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.730 10.450 -3.013 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.063 11.407 -4.056 1.00 0.00 N ATOM 0 H ASN A 231 -10.788 12.382 -1.649 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.626 9.932 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.526 10.140 -2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.685 8.854 -2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.703 11.884 -4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.057 11.545 -4.147 1.00 0.00 H new ATOM 968 N THR A 232 -9.627 9.377 1.105 1.00 0.00 N ATOM 969 CA THR A 232 -8.418 9.040 1.917 1.00 0.00 C ATOM 970 C THR A 232 -8.373 7.538 2.128 1.00 0.00 C ATOM 971 O THR A 232 -9.367 6.912 2.452 1.00 0.00 O ATOM 972 CB THR A 232 -8.483 9.735 3.264 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.680 9.381 3.924 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.434 11.237 3.057 1.00 0.00 C ATOM 0 H THR A 232 -10.497 8.953 1.427 1.00 0.00 H new ATOM 0 HA THR A 232 -7.524 9.373 1.391 1.00 0.00 H new ATOM 0 HB THR A 232 -7.635 9.426 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 232 -10.414 9.938 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.481 11.739 4.023 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.505 11.505 2.553 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.281 11.548 2.445 1.00 0.00 H new ATOM 982 N TRP A 233 -7.218 6.957 1.931 1.00 0.00 N ATOM 983 CA TRP A 233 -7.055 5.483 2.094 1.00 0.00 C ATOM 984 C TRP A 233 -6.127 5.182 3.273 1.00 0.00 C ATOM 985 O TRP A 233 -5.196 5.919 3.548 1.00 0.00 O ATOM 986 CB TRP A 233 -6.462 4.896 0.805 1.00 0.00 C ATOM 987 CG TRP A 233 -7.512 4.870 -0.265 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.808 5.890 -1.111 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.410 3.778 -0.614 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.840 5.490 -1.945 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.245 4.197 -1.675 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.582 2.479 -0.109 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.216 3.351 -2.216 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.556 1.626 -0.648 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.375 2.062 -1.697 1.00 0.00 C ATOM 0 H TRP A 233 -6.368 7.451 1.660 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.028 5.033 2.290 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.611 5.494 0.479 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.091 3.888 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.320 6.853 -1.131 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.251 6.079 -2.670 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.958 2.134 0.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.840 3.690 -3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.675 0.628 -0.252 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.128 1.404 -2.105 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.381 4.094 3.966 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.523 3.706 5.131 1.00 0.00 C ATOM 1008 C GLU A 234 -5.320 2.192 5.125 1.00 0.00 C ATOM 1009 O GLU A 234 -6.251 1.435 4.928 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.212 4.083 6.437 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.344 5.596 6.542 1.00 0.00 C ATOM 1012 CD GLU A 234 -6.802 5.947 7.954 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -7.942 5.653 8.278 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.005 6.505 8.690 1.00 0.00 O ATOM 0 H GLU A 234 -7.152 3.455 3.772 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.568 4.225 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.198 3.620 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.640 3.701 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.390 6.075 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.061 5.965 5.809 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.117 1.740 5.358 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.866 0.272 5.380 1.00 0.00 C ATOM 1023 C LEU A 235 -4.495 -0.327 6.635 1.00 0.00 C ATOM 1024 O LEU A 235 -4.124 0.014 7.734 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.364 0.005 5.418 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.690 0.552 4.157 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.176 0.347 4.283 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.215 -0.177 2.904 1.00 0.00 C ATOM 0 H LEU A 235 -3.299 2.324 5.534 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.299 -0.177 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.928 0.471 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.181 -1.066 5.500 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.918 1.613 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.319 0.732 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.191 0.879 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.040 -0.716 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.725 0.225 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.000 -1.242 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.292 -0.030 2.822 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.430 -1.223 6.487 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.064 -1.832 7.685 1.00 0.00 C ATOM 1042 C LYS A 236 -4.974 -2.417 8.608 1.00 0.00 C ATOM 1043 O LYS A 236 -4.347 -3.401 8.266 1.00 0.00 O ATOM 1044 CB LYS A 236 -6.979 -2.986 7.258 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.235 -2.453 6.571 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.171 -3.629 6.278 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.472 -3.121 5.656 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.216 -2.290 6.644 1.00 0.00 N ATOM 0 H LYS A 236 -5.781 -1.558 5.590 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.636 -1.062 8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -6.442 -3.651 6.581 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.258 -3.577 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.734 -1.723 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -7.971 -1.941 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -8.685 -4.331 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.386 -4.171 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.254 -2.533 4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -11.087 -3.963 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -11.489 -1.388 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -12.070 -2.797 6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -10.609 -2.104 7.468 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.760 -1.855 9.779 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.749 -2.387 10.738 1.00 0.00 C ATOM 1064 C PRO A 237 -4.332 -3.547 11.550 1.00 0.00 C ATOM 1065 O PRO A 237 -3.678 -4.154 12.374 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.466 -1.189 11.645 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.759 -0.434 11.690 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.441 -0.661 10.333 1.00 0.00 C ATOM 0 HA PRO A 237 -2.857 -2.778 10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.159 -1.510 12.641 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.661 -0.572 11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.389 -0.790 12.505 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.583 0.628 11.863 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.511 -0.831 10.449 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.324 0.203 9.679 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.590 -3.797 11.344 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.313 -4.848 12.110 1.00 0.00 C ATOM 1078 C GLU A 238 -5.673 -6.242 11.971 1.00 0.00 C ATOM 1079 O GLU A 238 -5.549 -6.953 12.950 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.753 -4.895 11.586 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.486 -3.603 11.973 1.00 0.00 C ATOM 1082 CD GLU A 238 -8.695 -3.568 13.489 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -9.384 -4.440 13.990 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -8.161 -2.674 14.124 1.00 0.00 O ATOM 0 H GLU A 238 -6.164 -3.305 10.659 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.271 -4.592 13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.752 -5.014 10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.273 -5.758 12.001 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -7.908 -2.735 11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.447 -3.551 11.462 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.295 -6.661 10.783 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.702 -8.039 10.620 1.00 0.00 C ATOM 1093 C TYR A 239 -3.399 -8.019 9.808 1.00 0.00 C ATOM 1094 O TYR A 239 -3.045 -9.007 9.193 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.723 -8.926 9.909 1.00 0.00 C ATOM 1096 CG TYR A 239 -5.964 -8.401 8.517 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.839 -7.328 8.321 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.313 -8.985 7.425 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.067 -6.840 7.034 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.543 -8.500 6.135 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.421 -7.425 5.938 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.656 -6.949 4.668 1.00 0.00 O ATOM 0 H TYR A 239 -5.369 -6.116 9.924 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.464 -8.426 11.611 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.359 -9.953 9.864 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.658 -8.943 10.469 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.338 -6.877 9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.633 -9.810 7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.742 -6.011 6.883 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.045 -8.953 5.290 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.514 -6.477 4.649 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.663 -6.935 9.797 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.380 -6.952 9.015 1.00 0.00 C ATOM 1114 C ARG A 240 -0.299 -7.674 9.817 1.00 0.00 C ATOM 1115 O ARG A 240 0.229 -7.156 10.783 1.00 0.00 O ATOM 1116 CB ARG A 240 -0.884 -5.529 8.677 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.618 -4.966 7.436 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.795 -5.226 6.148 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.723 -6.689 5.853 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.318 -7.097 4.679 1.00 0.00 C ATOM 1121 NH1 ARG A 240 0.068 -6.225 3.789 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.299 -8.374 4.400 1.00 0.00 N ATOM 0 H ARG A 240 -2.882 -6.063 10.278 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.578 -7.473 8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.047 -4.871 9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.190 -5.549 8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.600 -5.431 7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.782 -3.895 7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.251 -4.703 5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 240 0.211 -4.824 6.266 1.00 0.00 H new ATOM 0 HE ARG A 240 -0.989 -7.368 6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.053 -5.229 4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.385 -6.539 2.872 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.600 -9.053 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.017 -8.691 3.484 1.00 0.00 H new ATOM 1136 N HIS A 241 0.057 -8.854 9.392 1.00 0.00 N ATOM 1137 CA HIS A 241 1.130 -9.617 10.084 1.00 0.00 C ATOM 1138 C HIS A 241 2.478 -9.035 9.649 1.00 0.00 C ATOM 1139 O HIS A 241 3.497 -9.241 10.278 1.00 0.00 O ATOM 1140 CB HIS A 241 1.044 -11.088 9.667 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.323 -11.626 9.995 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.612 -12.239 11.206 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.491 -11.651 9.275 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -1.908 -12.603 11.175 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.489 -12.267 10.021 1.00 0.00 N ATOM 0 H HIS A 241 -0.354 -9.326 8.587 1.00 0.00 H new ATOM 0 HA HIS A 241 1.021 -9.545 11.166 1.00 0.00 H new ATOM 0 HB2 HIS A 241 1.238 -11.186 8.599 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.808 -11.668 10.184 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.616 -11.252 8.279 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.416 -13.106 11.985 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.458 -12.428 9.746 1.00 0.00 H new ATOM 1153 N TYR A 242 2.474 -8.293 8.571 1.00 0.00 N ATOM 1154 CA TYR A 242 3.729 -7.664 8.062 1.00 0.00 C ATOM 1155 C TYR A 242 3.712 -6.174 8.421 1.00 0.00 C ATOM 1156 O TYR A 242 2.827 -5.439 8.030 1.00 0.00 O ATOM 1157 CB TYR A 242 3.791 -7.842 6.541 1.00 0.00 C ATOM 1158 CG TYR A 242 4.894 -6.986 5.967 1.00 0.00 C ATOM 1159 CD1 TYR A 242 6.228 -7.388 6.069 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.572 -5.785 5.328 1.00 0.00 C ATOM 1161 CE1 TYR A 242 7.244 -6.588 5.530 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.579 -4.985 4.791 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.919 -5.384 4.891 1.00 0.00 C ATOM 1164 OH TYR A 242 7.917 -4.593 4.356 1.00 0.00 O ATOM 0 H TYR A 242 1.642 -8.094 8.015 1.00 0.00 H new ATOM 0 HA TYR A 242 4.604 -8.133 8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.967 -8.889 6.296 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.835 -7.566 6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.476 -8.316 6.563 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.540 -5.476 5.250 1.00 0.00 H new ATOM 0 HE1 TYR A 242 8.276 -6.899 5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.327 -4.058 4.298 1.00 0.00 H new ATOM 0 HH TYR A 242 7.525 -3.953 3.726 1.00 0.00 H new ATOM 1174 N GLN A 243 4.684 -5.725 9.170 1.00 0.00 N ATOM 1175 CA GLN A 243 4.728 -4.286 9.566 1.00 0.00 C ATOM 1176 C GLN A 243 6.184 -3.840 9.696 1.00 0.00 C ATOM 1177 O GLN A 243 7.039 -4.275 8.956 1.00 0.00 O ATOM 1178 CB GLN A 243 4.030 -4.104 10.916 1.00 0.00 C ATOM 1179 CG GLN A 243 2.523 -4.324 10.757 1.00 0.00 C ATOM 1180 CD GLN A 243 1.830 -4.019 12.087 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.095 -3.003 12.700 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.947 -4.853 12.567 1.00 0.00 N ATOM 0 H GLN A 243 5.452 -6.294 9.526 1.00 0.00 H new ATOM 0 HA GLN A 243 4.223 -3.688 8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 243 4.435 -4.809 11.642 1.00 0.00 H new ATOM 0 HB3 GLN A 243 4.221 -3.103 11.302 1.00 0.00 H new ATOM 0 HG2 GLN A 243 2.130 -3.679 9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.323 -5.352 10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.721 -5.707 12.056 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.483 -4.651 13.453 1.00 0.00 H new TER 1191 GLN A 243