USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 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 69 TYR OH : rot 180:sc= -0.238 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.305 K(o=-0.54,f=0.92) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 24 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.23) USER MOD Single : A 26 MET CE :methyl -142:sc= -1.22 (180deg=-3.23!) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.966 (180deg=-1.94!) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -4.7! (180deg=-5.92!) USER MOD Single : A 33 THR OG1 : rot -25:sc= 0.0993 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0.243 X(o=0.24,f=-0.16) USER MOD Single : A 39 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.195 (180deg=-0.959) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 130:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= -1.51 (180deg=-1.64) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= 0.173 (180deg=-0.0888) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.630 5.950 -3.557 1.00 0.00 N ATOM 98 CA VAL A 10 -1.548 5.250 -2.665 1.00 0.00 C ATOM 99 C VAL A 10 -2.099 3.991 -3.323 1.00 0.00 C ATOM 100 O VAL A 10 -2.833 4.062 -4.310 1.00 0.00 O ATOM 101 CB VAL A 10 -2.722 6.154 -2.247 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.543 6.560 -3.462 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.593 5.453 -1.216 1.00 0.00 C ATOM 0 HA VAL A 10 -0.979 4.973 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.317 7.058 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.368 7.199 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.910 7.104 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.939 5.668 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.418 6.106 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.990 4.531 -1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.996 5.218 -0.335 1.00 0.00 H new ATOM 113 N LEU A 11 -1.742 2.837 -2.770 1.00 0.00 N ATOM 114 CA LEU A 11 -2.201 1.558 -3.302 1.00 0.00 C ATOM 115 C LEU A 11 -3.418 1.054 -2.533 1.00 0.00 C ATOM 116 O LEU A 11 -3.302 0.604 -1.393 1.00 0.00 O ATOM 117 CB LEU A 11 -1.077 0.523 -3.237 1.00 0.00 C ATOM 118 CG LEU A 11 -1.504 -0.940 -3.370 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.812 -1.276 -4.821 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.424 -1.862 -2.824 1.00 0.00 C ATOM 0 H LEU A 11 -1.136 2.760 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.488 1.707 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.360 0.745 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.554 0.643 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.411 -1.089 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.114 -2.321 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.620 -0.638 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.923 -1.111 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.745 -2.899 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.500 -1.711 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.252 -1.638 -1.771 1.00 0.00 H new ATOM 132 N ASP A 12 -4.584 1.131 -3.165 1.00 0.00 N ATOM 133 CA ASP A 12 -5.823 0.679 -2.542 1.00 0.00 C ATOM 134 C ASP A 12 -5.856 -0.843 -2.440 1.00 0.00 C ATOM 135 O ASP A 12 -5.957 -1.542 -3.449 1.00 0.00 O ATOM 136 CB ASP A 12 -7.030 1.175 -3.338 1.00 0.00 C ATOM 137 CG ASP A 12 -7.317 0.314 -4.553 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.612 0.473 -5.572 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.245 -0.518 -4.484 1.00 0.00 O ATOM 0 H ASP A 12 -4.697 1.502 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.867 1.094 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.907 1.189 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.853 2.202 -3.658 1.00 0.00 H new ATOM 144 N LEU A 13 -5.770 -1.350 -1.215 1.00 0.00 N ATOM 145 CA LEU A 13 -5.789 -2.790 -0.980 1.00 0.00 C ATOM 146 C LEU A 13 -7.137 -3.232 -0.419 1.00 0.00 C ATOM 147 O LEU A 13 -7.387 -4.425 -0.244 1.00 0.00 O ATOM 148 CB LEU A 13 -4.668 -3.185 -0.017 1.00 0.00 C ATOM 149 CG LEU A 13 -3.247 -2.837 -0.462 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.253 -3.126 0.653 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.879 -3.609 -1.720 1.00 0.00 C ATOM 0 H LEU A 13 -5.686 -0.786 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.632 -3.291 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.855 -2.704 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.722 -4.261 0.150 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.208 -1.772 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.247 -2.872 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.505 -2.529 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.293 -4.184 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.865 -3.349 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.935 -4.679 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.573 -3.353 -2.520 1.00 0.00 H new ATOM 163 N HIS A 14 -8.003 -2.263 -0.141 1.00 0.00 N ATOM 164 CA HIS A 14 -9.327 -2.553 0.397 1.00 0.00 C ATOM 165 C HIS A 14 -10.099 -3.485 -0.532 1.00 0.00 C ATOM 166 O HIS A 14 -10.148 -3.270 -1.742 1.00 0.00 O ATOM 167 CB HIS A 14 -10.111 -1.257 0.605 1.00 0.00 C ATOM 168 CG HIS A 14 -11.588 -1.466 0.744 1.00 0.00 C ATOM 169 ND1 HIS A 14 -12.481 -1.227 -0.279 1.00 0.00 N ATOM 170 CD2 HIS A 14 -12.326 -1.895 1.794 1.00 0.00 C ATOM 171 CE1 HIS A 14 -13.705 -1.499 0.137 1.00 0.00 C ATOM 172 NE2 HIS A 14 -13.639 -1.907 1.391 1.00 0.00 N ATOM 0 H HIS A 14 -7.812 -1.271 -0.279 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.200 -3.051 1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.738 -0.756 1.498 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.924 -0.590 -0.237 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.952 -2.176 2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.607 -1.404 -0.449 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.434 -2.186 1.967 1.00 0.00 H new ATOM 180 N GLY A 15 -10.701 -4.522 0.044 1.00 0.00 N ATOM 181 CA GLY A 15 -11.462 -5.471 -0.747 1.00 0.00 C ATOM 182 C GLY A 15 -10.646 -6.689 -1.134 1.00 0.00 C ATOM 183 O GLY A 15 -11.139 -7.817 -1.086 1.00 0.00 O ATOM 0 H GLY A 15 -10.675 -4.721 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.339 -5.789 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.825 -4.979 -1.649 1.00 0.00 H new ATOM 187 N LEU A 16 -9.395 -6.463 -1.520 1.00 0.00 N ATOM 188 CA LEU A 16 -8.509 -7.551 -1.919 1.00 0.00 C ATOM 189 C LEU A 16 -8.298 -8.530 -0.769 1.00 0.00 C ATOM 190 O LEU A 16 -8.585 -8.217 0.388 1.00 0.00 O ATOM 191 CB LEU A 16 -7.162 -6.993 -2.383 1.00 0.00 C ATOM 192 CG LEU A 16 -7.137 -6.379 -3.783 1.00 0.00 C ATOM 193 CD1 LEU A 16 -5.861 -5.579 -3.992 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.270 -7.461 -4.844 1.00 0.00 C ATOM 0 H LEU A 16 -8.971 -5.536 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.978 -8.085 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.840 -6.234 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.427 -7.797 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.986 -5.702 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.861 -5.150 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.808 -4.779 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.998 -6.235 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.250 -7.005 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.442 -8.164 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.213 -7.990 -4.708 1.00 0.00 H new ATOM 206 N HIS A 17 -7.792 -9.716 -1.093 1.00 0.00 N ATOM 207 CA HIS A 17 -7.539 -10.740 -0.086 1.00 0.00 C ATOM 208 C HIS A 17 -6.140 -10.589 0.503 1.00 0.00 C ATOM 209 O HIS A 17 -5.200 -10.207 -0.193 1.00 0.00 O ATOM 210 CB HIS A 17 -7.701 -12.134 -0.694 1.00 0.00 C ATOM 211 CG HIS A 17 -7.892 -13.214 0.326 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.030 -14.282 0.460 1.00 0.00 N ATOM 213 CD2 HIS A 17 -8.851 -13.386 1.265 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.453 -15.065 1.437 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.556 -14.543 1.942 1.00 0.00 N ATOM 0 H HIS A 17 -7.549 -9.991 -2.045 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.267 -10.614 0.715 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.556 -12.129 -1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.821 -12.364 -1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.692 -12.734 1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.977 -15.977 1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.100 -14.936 2.710 1.00 0.00 H new ATOM 223 N VAL A 18 -6.010 -10.892 1.791 1.00 0.00 N ATOM 224 CA VAL A 18 -4.726 -10.790 2.474 1.00 0.00 C ATOM 225 C VAL A 18 -3.575 -11.139 1.537 1.00 0.00 C ATOM 226 O VAL A 18 -2.617 -10.377 1.403 1.00 0.00 O ATOM 227 CB VAL A 18 -4.669 -11.715 3.704 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.275 -11.711 4.312 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.709 -11.297 4.733 1.00 0.00 C ATOM 0 H VAL A 18 -6.778 -11.210 2.382 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.624 -9.755 2.801 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.896 -12.732 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.255 -12.370 5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.555 -12.062 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.015 -10.698 4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.655 -11.961 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.515 -10.273 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.703 -11.357 4.291 1.00 0.00 H new ATOM 239 N ASP A 19 -3.677 -12.294 0.889 1.00 0.00 N ATOM 240 CA ASP A 19 -2.645 -12.744 -0.039 1.00 0.00 C ATOM 241 C ASP A 19 -2.460 -11.741 -1.173 1.00 0.00 C ATOM 242 O ASP A 19 -1.347 -11.283 -1.433 1.00 0.00 O ATOM 243 CB ASP A 19 -3.006 -14.117 -0.609 1.00 0.00 C ATOM 244 CG ASP A 19 -2.469 -15.254 0.238 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.267 -15.567 0.116 1.00 0.00 O ATOM 246 OD2 ASP A 19 -3.252 -15.832 1.021 1.00 0.00 O ATOM 0 H ASP A 19 -4.463 -12.936 0.989 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.706 -12.822 0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.090 -14.203 -0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.610 -14.203 -1.621 1.00 0.00 H new ATOM 251 N GLU A 20 -3.556 -11.406 -1.845 1.00 0.00 N ATOM 252 CA GLU A 20 -3.513 -10.459 -2.953 1.00 0.00 C ATOM 253 C GLU A 20 -2.813 -9.168 -2.538 1.00 0.00 C ATOM 254 O GLU A 20 -1.769 -8.812 -3.083 1.00 0.00 O ATOM 255 CB GLU A 20 -4.928 -10.150 -3.445 1.00 0.00 C ATOM 256 CG GLU A 20 -5.409 -11.084 -4.542 1.00 0.00 C ATOM 257 CD GLU A 20 -4.951 -10.650 -5.921 1.00 0.00 C ATOM 258 OE1 GLU A 20 -3.808 -10.985 -6.298 1.00 0.00 O ATOM 259 OE2 GLU A 20 -5.734 -9.977 -6.622 1.00 0.00 O ATOM 0 H GLU A 20 -4.485 -11.776 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.946 -10.915 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.617 -10.208 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.960 -9.124 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.044 -12.091 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.498 -11.130 -4.523 1.00 0.00 H new ATOM 266 N ALA A 21 -3.397 -8.471 -1.569 1.00 0.00 N ATOM 267 CA ALA A 21 -2.830 -7.220 -1.079 1.00 0.00 C ATOM 268 C ALA A 21 -1.327 -7.348 -0.859 1.00 0.00 C ATOM 269 O ALA A 21 -0.549 -6.506 -1.308 1.00 0.00 O ATOM 270 CB ALA A 21 -3.520 -6.797 0.209 1.00 0.00 C ATOM 0 H ALA A 21 -4.262 -8.751 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.996 -6.453 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.087 -5.862 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.585 -6.656 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.384 -7.570 0.966 1.00 0.00 H new ATOM 276 N LEU A 22 -0.924 -8.406 -0.164 1.00 0.00 N ATOM 277 CA LEU A 22 0.488 -8.644 0.117 1.00 0.00 C ATOM 278 C LEU A 22 1.293 -8.730 -1.175 1.00 0.00 C ATOM 279 O LEU A 22 2.175 -7.907 -1.424 1.00 0.00 O ATOM 280 CB LEU A 22 0.657 -9.933 0.923 1.00 0.00 C ATOM 281 CG LEU A 22 0.470 -9.809 2.436 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.415 -11.184 3.082 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.589 -8.976 3.045 1.00 0.00 C ATOM 0 H LEU A 22 -1.554 -9.113 0.215 1.00 0.00 H new ATOM 0 HA LEU A 22 0.863 -7.805 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.055 -10.668 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.654 -10.329 0.732 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.477 -9.304 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.282 -11.075 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.421 -11.747 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.345 -11.717 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.440 -8.898 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.548 -9.454 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.581 -7.979 2.605 1.00 0.00 H new ATOM 295 N GLU A 23 0.983 -9.729 -1.995 1.00 0.00 N ATOM 296 CA GLU A 23 1.678 -9.920 -3.263 1.00 0.00 C ATOM 297 C GLU A 23 1.753 -8.611 -4.045 1.00 0.00 C ATOM 298 O GLU A 23 2.745 -8.334 -4.719 1.00 0.00 O ATOM 299 CB GLU A 23 0.972 -10.988 -4.101 1.00 0.00 C ATOM 300 CG GLU A 23 1.032 -12.378 -3.491 1.00 0.00 C ATOM 301 CD GLU A 23 0.422 -13.436 -4.390 1.00 0.00 C ATOM 302 OE1 GLU A 23 -0.822 -13.490 -4.485 1.00 0.00 O ATOM 303 OE2 GLU A 23 1.190 -14.210 -4.999 1.00 0.00 O ATOM 0 H GLU A 23 0.256 -10.418 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 23 2.693 -10.252 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.072 -10.703 -4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.423 -11.016 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.071 -12.636 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.509 -12.374 -2.534 1.00 0.00 H new ATOM 310 N HIS A 24 0.696 -7.810 -3.950 1.00 0.00 N ATOM 311 CA HIS A 24 0.641 -6.531 -4.648 1.00 0.00 C ATOM 312 C HIS A 24 1.529 -5.498 -3.960 1.00 0.00 C ATOM 313 O HIS A 24 2.154 -4.665 -4.617 1.00 0.00 O ATOM 314 CB HIS A 24 -0.799 -6.021 -4.710 1.00 0.00 C ATOM 315 CG HIS A 24 -1.581 -6.576 -5.860 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.101 -6.605 -7.153 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.816 -7.128 -5.907 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.008 -7.148 -7.945 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.058 -7.475 -7.213 1.00 0.00 N ATOM 0 H HIS A 24 -0.134 -8.024 -3.397 1.00 0.00 H new ATOM 0 HA HIS A 24 1.009 -6.683 -5.663 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.306 -6.276 -3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.788 -4.933 -4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.486 -7.269 -5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.908 -7.299 -9.010 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.910 -7.914 -7.562 1.00 0.00 H new ATOM 327 N LEU A 25 1.580 -5.558 -2.633 1.00 0.00 N ATOM 328 CA LEU A 25 2.391 -4.628 -1.856 1.00 0.00 C ATOM 329 C LEU A 25 3.873 -4.800 -2.174 1.00 0.00 C ATOM 330 O LEU A 25 4.628 -3.829 -2.200 1.00 0.00 O ATOM 331 CB LEU A 25 2.151 -4.839 -0.360 1.00 0.00 C ATOM 332 CG LEU A 25 3.127 -4.134 0.583 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.616 -2.746 0.938 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.346 -4.962 1.840 1.00 0.00 C ATOM 0 H LEU A 25 1.069 -6.241 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 25 2.096 -3.614 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.142 -4.503 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.187 -5.909 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 25 4.084 -4.027 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.323 -2.259 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.511 -2.153 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.647 -2.830 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.043 -4.445 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.395 -5.101 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.757 -5.934 1.568 1.00 0.00 H new ATOM 346 N MET A 26 4.280 -6.042 -2.416 1.00 0.00 N ATOM 347 CA MET A 26 5.671 -6.340 -2.736 1.00 0.00 C ATOM 348 C MET A 26 5.976 -6.014 -4.194 1.00 0.00 C ATOM 349 O MET A 26 7.024 -5.449 -4.508 1.00 0.00 O ATOM 350 CB MET A 26 5.977 -7.813 -2.456 1.00 0.00 C ATOM 351 CG MET A 26 5.593 -8.257 -1.054 1.00 0.00 C ATOM 352 SD MET A 26 5.668 -10.047 -0.848 1.00 0.00 S ATOM 353 CE MET A 26 4.043 -10.378 -0.172 1.00 0.00 C ATOM 0 H MET A 26 3.667 -6.857 -2.397 1.00 0.00 H new ATOM 0 HA MET A 26 6.304 -5.718 -2.103 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.447 -8.430 -3.182 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.042 -7.989 -2.605 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.259 -7.784 -0.332 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.584 -7.911 -0.831 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.116 -11.158 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.645 -9.469 0.280 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.378 -10.708 -0.970 1.00 0.00 H new ATOM 363 N ARG A 27 5.054 -6.372 -5.082 1.00 0.00 N ATOM 364 CA ARG A 27 5.225 -6.119 -6.507 1.00 0.00 C ATOM 365 C ARG A 27 5.247 -4.620 -6.794 1.00 0.00 C ATOM 366 O ARG A 27 6.002 -4.151 -7.645 1.00 0.00 O ATOM 367 CB ARG A 27 4.102 -6.785 -7.304 1.00 0.00 C ATOM 368 CG ARG A 27 4.412 -8.215 -7.714 1.00 0.00 C ATOM 369 CD ARG A 27 3.392 -8.743 -8.711 1.00 0.00 C ATOM 370 NE ARG A 27 2.207 -9.281 -8.048 1.00 0.00 N ATOM 371 CZ ARG A 27 1.088 -9.601 -8.688 1.00 0.00 C ATOM 372 NH1 ARG A 27 1.002 -9.437 -10.001 1.00 0.00 N ATOM 373 NH2 ARG A 27 0.052 -10.085 -8.015 1.00 0.00 N ATOM 0 H ARG A 27 4.180 -6.839 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 27 6.180 -6.545 -6.814 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.190 -6.777 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.903 -6.195 -8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.409 -8.261 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.423 -8.854 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.096 -7.940 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.851 -9.521 -9.321 1.00 0.00 H new ATOM 0 HE ARG A 27 2.241 -9.419 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.796 -9.064 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.142 -9.683 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.114 -10.212 -7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.807 -10.330 -8.508 1.00 0.00 H new ATOM 387 N VAL A 28 4.412 -3.874 -6.078 1.00 0.00 N ATOM 388 CA VAL A 28 4.335 -2.428 -6.254 1.00 0.00 C ATOM 389 C VAL A 28 5.531 -1.732 -5.616 1.00 0.00 C ATOM 390 O VAL A 28 5.963 -0.672 -6.071 1.00 0.00 O ATOM 391 CB VAL A 28 3.039 -1.857 -5.649 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.821 -2.543 -6.248 1.00 0.00 C ATOM 393 CG2 VAL A 28 3.051 -2.001 -4.134 1.00 0.00 C ATOM 0 H VAL A 28 3.779 -4.247 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 28 4.339 -2.239 -7.328 1.00 0.00 H new ATOM 0 HB VAL A 28 2.983 -0.796 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.915 -2.126 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.807 -2.384 -7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.866 -3.612 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.128 -1.593 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.131 -3.055 -3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.903 -1.458 -3.724 1.00 0.00 H new ATOM 403 N LEU A 29 6.064 -2.335 -4.558 1.00 0.00 N ATOM 404 CA LEU A 29 7.213 -1.774 -3.856 1.00 0.00 C ATOM 405 C LEU A 29 8.388 -1.573 -4.807 1.00 0.00 C ATOM 406 O LEU A 29 9.178 -0.644 -4.645 1.00 0.00 O ATOM 407 CB LEU A 29 7.627 -2.688 -2.702 1.00 0.00 C ATOM 408 CG LEU A 29 6.971 -2.402 -1.350 1.00 0.00 C ATOM 409 CD1 LEU A 29 7.083 -3.612 -0.436 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.602 -1.180 -0.700 1.00 0.00 C ATOM 0 H LEU A 29 5.719 -3.212 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 29 6.923 -0.802 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.402 -3.717 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.708 -2.619 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 29 5.914 -2.195 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.611 -3.390 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.584 -4.464 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.134 -3.850 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.123 -0.991 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.666 -1.358 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.469 -0.314 -1.348 1.00 0.00 H new ATOM 422 N GLU A 30 8.495 -2.449 -5.801 1.00 0.00 N ATOM 423 CA GLU A 30 9.573 -2.366 -6.780 1.00 0.00 C ATOM 424 C GLU A 30 9.124 -1.600 -8.020 1.00 0.00 C ATOM 425 O GLU A 30 9.825 -0.710 -8.502 1.00 0.00 O ATOM 426 CB GLU A 30 10.042 -3.768 -7.174 1.00 0.00 C ATOM 427 CG GLU A 30 8.998 -4.567 -7.936 1.00 0.00 C ATOM 428 CD GLU A 30 9.481 -5.957 -8.303 1.00 0.00 C ATOM 429 OE1 GLU A 30 10.132 -6.603 -7.455 1.00 0.00 O ATOM 430 OE2 GLU A 30 9.206 -6.399 -9.438 1.00 0.00 O ATOM 0 H GLU A 30 7.849 -3.224 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 30 10.404 -1.828 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.940 -3.683 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.320 -4.315 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.095 -4.648 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.726 -4.029 -8.844 1.00 0.00 H new ATOM 437 N LYS A 31 7.951 -1.953 -8.534 1.00 0.00 N ATOM 438 CA LYS A 31 7.406 -1.300 -9.718 1.00 0.00 C ATOM 439 C LYS A 31 7.171 0.185 -9.461 1.00 0.00 C ATOM 440 O LYS A 31 7.123 0.988 -10.394 1.00 0.00 O ATOM 441 CB LYS A 31 6.095 -1.969 -10.138 1.00 0.00 C ATOM 442 CG LYS A 31 5.567 -1.487 -11.478 1.00 0.00 C ATOM 443 CD LYS A 31 4.339 -2.271 -11.908 1.00 0.00 C ATOM 444 CE LYS A 31 3.059 -1.627 -11.399 1.00 0.00 C ATOM 445 NZ LYS A 31 3.005 -1.601 -9.911 1.00 0.00 N ATOM 0 H LYS A 31 7.359 -2.689 -8.149 1.00 0.00 H new ATOM 0 HA LYS A 31 8.133 -1.401 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.246 -3.048 -10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.341 -1.784 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.319 -0.428 -11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.346 -1.586 -12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.308 -2.333 -12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.408 -3.292 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.987 -0.609 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.199 -2.175 -11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.018 -1.498 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.395 -2.488 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.565 -0.799 -9.557 1.00 0.00 H new ATOM 459 N LYS A 32 7.025 0.545 -8.190 1.00 0.00 N ATOM 460 CA LYS A 32 6.798 1.934 -7.809 1.00 0.00 C ATOM 461 C LYS A 32 8.121 2.678 -7.651 1.00 0.00 C ATOM 462 O LYS A 32 8.311 3.756 -8.216 1.00 0.00 O ATOM 463 CB LYS A 32 6.003 2.003 -6.503 1.00 0.00 C ATOM 464 CG LYS A 32 4.590 1.460 -6.623 1.00 0.00 C ATOM 465 CD LYS A 32 3.628 2.518 -7.139 1.00 0.00 C ATOM 466 CE LYS A 32 2.196 2.219 -6.724 1.00 0.00 C ATOM 467 NZ LYS A 32 1.888 2.754 -5.369 1.00 0.00 N ATOM 0 H LYS A 32 7.060 -0.107 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 32 6.224 2.413 -8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.535 1.443 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.958 3.040 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.585 0.603 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.252 1.103 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.922 3.496 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.690 2.568 -8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.509 2.653 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.032 1.141 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.859 2.856 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.248 2.098 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.342 3.682 -5.251 1.00 0.00 H new ATOM 481 N THR A 33 9.034 2.096 -6.880 1.00 0.00 N ATOM 482 CA THR A 33 10.338 2.703 -6.648 1.00 0.00 C ATOM 483 C THR A 33 11.156 2.756 -7.933 1.00 0.00 C ATOM 484 O THR A 33 12.130 3.501 -8.029 1.00 0.00 O ATOM 485 CB THR A 33 11.134 1.934 -5.577 1.00 0.00 C ATOM 486 OG1 THR A 33 12.311 2.667 -5.220 1.00 0.00 O ATOM 487 CG2 THR A 33 11.524 0.553 -6.081 1.00 0.00 C ATOM 0 H THR A 33 8.894 1.204 -6.405 1.00 0.00 H new ATOM 0 HA THR A 33 10.155 3.718 -6.295 1.00 0.00 H new ATOM 0 HB THR A 33 10.499 1.817 -4.699 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.569 3.253 -5.962 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.085 0.029 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.625 -0.013 -6.324 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.142 0.652 -6.973 1.00 0.00 H new ATOM 495 N GLU A 34 10.754 1.960 -8.919 1.00 0.00 N ATOM 496 CA GLU A 34 11.451 1.916 -10.198 1.00 0.00 C ATOM 497 C GLU A 34 11.468 3.293 -10.856 1.00 0.00 C ATOM 498 O GLU A 34 12.483 3.716 -11.408 1.00 0.00 O ATOM 499 CB GLU A 34 10.788 0.901 -11.132 1.00 0.00 C ATOM 500 CG GLU A 34 9.689 1.496 -11.996 1.00 0.00 C ATOM 501 CD GLU A 34 9.100 0.489 -12.965 1.00 0.00 C ATOM 502 OE1 GLU A 34 9.510 -0.689 -12.919 1.00 0.00 O ATOM 503 OE2 GLU A 34 8.228 0.881 -13.769 1.00 0.00 O ATOM 0 H GLU A 34 9.949 1.337 -8.856 1.00 0.00 H new ATOM 0 HA GLU A 34 12.480 1.608 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.549 0.463 -11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.371 0.090 -10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.897 1.884 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.089 2.342 -12.555 1.00 0.00 H new ATOM 510 N GLU A 35 10.335 3.986 -10.792 1.00 0.00 N ATOM 511 CA GLU A 35 10.219 5.315 -11.383 1.00 0.00 C ATOM 512 C GLU A 35 10.793 6.377 -10.449 1.00 0.00 C ATOM 513 O GLU A 35 11.429 7.333 -10.895 1.00 0.00 O ATOM 514 CB GLU A 35 8.756 5.632 -11.696 1.00 0.00 C ATOM 515 CG GLU A 35 8.191 4.822 -12.851 1.00 0.00 C ATOM 516 CD GLU A 35 9.059 4.893 -14.092 1.00 0.00 C ATOM 517 OE1 GLU A 35 9.303 6.015 -14.583 1.00 0.00 O ATOM 518 OE2 GLU A 35 9.494 3.826 -14.573 1.00 0.00 O ATOM 0 H GLU A 35 9.486 3.650 -10.338 1.00 0.00 H new ATOM 0 HA GLU A 35 10.791 5.324 -12.311 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.155 5.448 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.665 6.693 -11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.087 3.781 -12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.191 5.185 -13.090 1.00 0.00 H new ATOM 525 N PHE A 36 10.563 6.203 -9.152 1.00 0.00 N ATOM 526 CA PHE A 36 11.055 7.146 -8.155 1.00 0.00 C ATOM 527 C PHE A 36 12.552 7.387 -8.326 1.00 0.00 C ATOM 528 O PHE A 36 13.091 8.386 -7.849 1.00 0.00 O ATOM 529 CB PHE A 36 10.768 6.627 -6.745 1.00 0.00 C ATOM 530 CG PHE A 36 11.782 7.065 -5.727 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.842 8.386 -5.314 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.675 6.156 -5.183 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.773 8.793 -4.377 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.608 6.557 -4.246 1.00 0.00 C ATOM 535 CZ PHE A 36 13.658 7.877 -3.843 1.00 0.00 C ATOM 0 H PHE A 36 10.039 5.417 -8.767 1.00 0.00 H new ATOM 0 HA PHE A 36 10.534 8.093 -8.299 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.781 6.970 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.734 5.538 -6.767 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.153 9.107 -5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.641 5.123 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.808 9.826 -4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.298 5.838 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.388 8.192 -3.112 1.00 0.00 H new ATOM 545 N LYS A 37 13.219 6.463 -9.010 1.00 0.00 N ATOM 546 CA LYS A 37 14.654 6.573 -9.246 1.00 0.00 C ATOM 547 C LYS A 37 14.936 7.253 -10.582 1.00 0.00 C ATOM 548 O LYS A 37 15.469 8.362 -10.623 1.00 0.00 O ATOM 549 CB LYS A 37 15.303 5.187 -9.220 1.00 0.00 C ATOM 550 CG LYS A 37 15.312 4.545 -7.843 1.00 0.00 C ATOM 551 CD LYS A 37 16.220 3.328 -7.802 1.00 0.00 C ATOM 552 CE LYS A 37 16.425 2.833 -6.378 1.00 0.00 C ATOM 553 NZ LYS A 37 17.460 3.626 -5.659 1.00 0.00 N ATOM 0 H LYS A 37 12.789 5.630 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 37 15.082 7.183 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.773 4.534 -9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.328 5.268 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.644 5.273 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.298 4.253 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.789 2.530 -8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.185 3.577 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.482 2.889 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.720 1.784 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.570 3.258 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.367 3.552 -6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.167 4.623 -5.618 1.00 0.00 H new ATOM 567 N GLN A 38 14.572 6.583 -11.670 1.00 0.00 N ATOM 568 CA GLN A 38 14.786 7.124 -13.007 1.00 0.00 C ATOM 569 C GLN A 38 14.101 8.478 -13.161 1.00 0.00 C ATOM 570 O GLN A 38 14.719 9.451 -13.591 1.00 0.00 O ATOM 571 CB GLN A 38 14.261 6.151 -14.064 1.00 0.00 C ATOM 572 CG GLN A 38 12.824 5.714 -13.829 1.00 0.00 C ATOM 573 CD GLN A 38 12.404 4.575 -14.737 1.00 0.00 C ATOM 574 OE1 GLN A 38 12.306 4.738 -15.953 1.00 0.00 O ATOM 575 NE2 GLN A 38 12.155 3.410 -14.148 1.00 0.00 N ATOM 0 H GLN A 38 14.128 5.665 -11.652 1.00 0.00 H new ATOM 0 HA GLN A 38 15.858 7.260 -13.150 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.333 6.620 -15.045 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.901 5.269 -14.084 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.707 5.407 -12.790 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.160 6.563 -13.987 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.249 3.320 -13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.870 2.606 -14.708 1.00 0.00 H new ATOM 584 N ASN A 39 12.821 8.532 -12.809 1.00 0.00 N ATOM 585 CA ASN A 39 12.052 9.768 -12.909 1.00 0.00 C ATOM 586 C ASN A 39 12.357 10.695 -11.737 1.00 0.00 C ATOM 587 O ASN A 39 12.955 11.756 -11.910 1.00 0.00 O ATOM 588 CB ASN A 39 10.554 9.459 -12.954 1.00 0.00 C ATOM 589 CG ASN A 39 10.046 9.264 -14.369 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.799 9.391 -15.334 1.00 0.00 O ATOM 591 ND2 ASN A 39 8.761 8.954 -14.499 1.00 0.00 N ATOM 0 H ASN A 39 12.294 7.735 -12.452 1.00 0.00 H new ATOM 0 HA ASN A 39 12.340 10.272 -13.832 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.354 8.559 -12.372 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.004 10.273 -12.482 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.362 8.811 -15.427 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.173 8.859 -13.671 1.00 0.00 H new ATOM 598 N GLY A 40 11.940 10.286 -10.542 1.00 0.00 N ATOM 599 CA GLY A 40 12.178 11.091 -9.358 1.00 0.00 C ATOM 600 C GLY A 40 10.891 11.568 -8.714 1.00 0.00 C ATOM 601 O GLY A 40 10.182 12.404 -9.272 1.00 0.00 O ATOM 0 H GLY A 40 11.442 9.412 -10.373 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.749 10.508 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.789 11.953 -9.625 1.00 0.00 H new ATOM 605 N GLY A 41 10.589 11.034 -7.534 1.00 0.00 N ATOM 606 CA GLY A 41 9.378 11.421 -6.833 1.00 0.00 C ATOM 607 C GLY A 41 9.487 11.224 -5.334 1.00 0.00 C ATOM 608 O GLY A 41 10.583 11.042 -4.802 1.00 0.00 O ATOM 0 H GLY A 41 11.161 10.341 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.159 12.468 -7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.540 10.837 -7.213 1.00 0.00 H new ATOM 612 N LYS A 42 8.349 11.261 -4.650 1.00 0.00 N ATOM 613 CA LYS A 42 8.320 11.085 -3.203 1.00 0.00 C ATOM 614 C LYS A 42 8.977 9.768 -2.801 1.00 0.00 C ATOM 615 O LYS A 42 8.644 8.699 -3.313 1.00 0.00 O ATOM 616 CB LYS A 42 6.878 11.123 -2.693 1.00 0.00 C ATOM 617 CG LYS A 42 6.191 9.768 -2.708 1.00 0.00 C ATOM 618 CD LYS A 42 6.008 9.252 -4.125 1.00 0.00 C ATOM 619 CE LYS A 42 4.685 9.709 -4.719 1.00 0.00 C ATOM 620 NZ LYS A 42 4.796 11.051 -5.355 1.00 0.00 N ATOM 0 H LYS A 42 7.434 11.411 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 42 8.881 11.903 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.872 11.513 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.304 11.819 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.780 9.054 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.220 9.846 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.829 9.603 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.051 8.163 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.349 8.983 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.927 9.740 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.051 11.157 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.686 11.789 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.728 11.145 -5.806 1.00 0.00 H new ATOM 634 N PRO A 43 9.933 9.845 -1.863 1.00 0.00 N ATOM 635 CA PRO A 43 10.655 8.668 -1.371 1.00 0.00 C ATOM 636 C PRO A 43 9.769 7.752 -0.534 1.00 0.00 C ATOM 637 O PRO A 43 10.213 6.707 -0.058 1.00 0.00 O ATOM 638 CB PRO A 43 11.768 9.269 -0.509 1.00 0.00 C ATOM 639 CG PRO A 43 11.238 10.593 -0.077 1.00 0.00 C ATOM 640 CD PRO A 43 10.381 11.086 -1.209 1.00 0.00 C ATOM 0 HA PRO A 43 11.019 8.043 -2.187 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.992 8.634 0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.693 9.378 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.657 10.500 0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.050 11.290 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.539 11.677 -0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.945 11.720 -1.893 1.00 0.00 H new ATOM 648 N TYR A 44 8.514 8.150 -0.358 1.00 0.00 N ATOM 649 CA TYR A 44 7.565 7.365 0.424 1.00 0.00 C ATOM 650 C TYR A 44 6.490 6.759 -0.473 1.00 0.00 C ATOM 651 O TYR A 44 6.486 6.968 -1.687 1.00 0.00 O ATOM 652 CB TYR A 44 6.916 8.236 1.500 1.00 0.00 C ATOM 653 CG TYR A 44 6.300 9.507 0.961 1.00 0.00 C ATOM 654 CD1 TYR A 44 5.059 9.490 0.336 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.959 10.725 1.074 1.00 0.00 C ATOM 656 CE1 TYR A 44 4.492 10.648 -0.159 1.00 0.00 C ATOM 657 CE2 TYR A 44 6.399 11.888 0.583 1.00 0.00 C ATOM 658 CZ TYR A 44 5.166 11.845 -0.033 1.00 0.00 C ATOM 659 OH TYR A 44 4.606 13.002 -0.524 1.00 0.00 O ATOM 0 H TYR A 44 8.130 9.011 -0.746 1.00 0.00 H new ATOM 0 HA TYR A 44 8.112 6.553 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.146 7.656 2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.666 8.494 2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.528 8.555 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.926 10.763 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.527 10.617 -0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.924 12.827 0.681 1.00 0.00 H new ATOM 0 HH TYR A 44 5.209 13.755 -0.353 1.00 0.00 H new ATOM 669 N LEU A 45 5.579 6.007 0.134 1.00 0.00 N ATOM 670 CA LEU A 45 4.496 5.369 -0.608 1.00 0.00 C ATOM 671 C LEU A 45 3.259 5.204 0.269 1.00 0.00 C ATOM 672 O LEU A 45 3.328 4.631 1.356 1.00 0.00 O ATOM 673 CB LEU A 45 4.947 4.006 -1.136 1.00 0.00 C ATOM 674 CG LEU A 45 3.929 3.246 -1.986 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.016 3.681 -3.441 1.00 0.00 C ATOM 676 CD2 LEU A 45 4.146 1.745 -1.863 1.00 0.00 C ATOM 0 H LEU A 45 5.568 5.824 1.137 1.00 0.00 H new ATOM 0 HA LEU A 45 4.238 6.011 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.851 4.149 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.219 3.381 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 45 2.930 3.480 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.284 3.129 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.810 4.749 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.017 3.477 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.412 1.220 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.150 1.493 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.031 1.445 -0.821 1.00 0.00 H new ATOM 688 N SER A 46 2.127 5.709 -0.213 1.00 0.00 N ATOM 689 CA SER A 46 0.874 5.618 0.527 1.00 0.00 C ATOM 690 C SER A 46 0.227 4.250 0.336 1.00 0.00 C ATOM 691 O SER A 46 0.380 3.619 -0.710 1.00 0.00 O ATOM 692 CB SER A 46 -0.089 6.718 0.077 1.00 0.00 C ATOM 693 OG SER A 46 0.428 8.003 0.375 1.00 0.00 O ATOM 0 H SER A 46 2.052 6.185 -1.112 1.00 0.00 H new ATOM 0 HA SER A 46 1.096 5.750 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.266 6.634 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.052 6.587 0.571 1.00 0.00 H new ATOM 0 HG SER A 46 -0.206 8.688 0.076 1.00 0.00 H new ATOM 699 N VAL A 47 -0.496 3.797 1.355 1.00 0.00 N ATOM 700 CA VAL A 47 -1.168 2.504 1.300 1.00 0.00 C ATOM 701 C VAL A 47 -2.468 2.526 2.096 1.00 0.00 C ATOM 702 O VAL A 47 -2.501 2.986 3.238 1.00 0.00 O ATOM 703 CB VAL A 47 -0.266 1.379 1.843 1.00 0.00 C ATOM 704 CG1 VAL A 47 -1.008 0.052 1.843 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.015 1.284 1.027 1.00 0.00 C ATOM 0 H VAL A 47 -0.631 4.306 2.228 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.390 2.307 0.251 1.00 0.00 H new ATOM 0 HB VAL A 47 0.002 1.617 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.355 -0.730 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.893 0.130 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.309 -0.197 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.641 0.485 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.769 1.070 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.554 2.229 1.085 1.00 0.00 H new ATOM 715 N ILE A 48 -3.537 2.026 1.486 1.00 0.00 N ATOM 716 CA ILE A 48 -4.840 1.987 2.139 1.00 0.00 C ATOM 717 C ILE A 48 -5.380 0.562 2.204 1.00 0.00 C ATOM 718 O ILE A 48 -5.784 -0.008 1.190 1.00 0.00 O ATOM 719 CB ILE A 48 -5.862 2.878 1.409 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.443 4.347 1.494 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.251 2.682 1.998 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.275 5.264 0.625 1.00 0.00 C ATOM 0 H ILE A 48 -3.527 1.642 0.541 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.697 2.366 3.151 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.890 2.588 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.515 4.678 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.396 4.435 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.962 3.318 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.548 1.639 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.239 2.948 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.922 6.289 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.184 4.959 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.320 5.205 0.930 1.00 0.00 H new ATOM 734 N THR A 49 -5.384 -0.009 3.405 1.00 0.00 N ATOM 735 CA THR A 49 -5.875 -1.367 3.603 1.00 0.00 C ATOM 736 C THR A 49 -7.396 -1.393 3.702 1.00 0.00 C ATOM 737 O THR A 49 -8.054 -2.223 3.077 1.00 0.00 O ATOM 738 CB THR A 49 -5.278 -1.999 4.875 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.693 -1.262 6.030 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.759 -2.027 4.804 1.00 0.00 C ATOM 0 H THR A 49 -5.053 0.448 4.255 1.00 0.00 H new ATOM 0 HA THR A 49 -5.561 -1.947 2.735 1.00 0.00 H new ATOM 0 HB THR A 49 -5.641 -3.024 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.051 -1.880 6.701 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.361 -2.477 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.446 -2.614 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.380 -1.009 4.707 1.00 0.00 H new ATOM 885 N ARG A 61 -8.367 -8.159 7.391 1.00 0.00 N ATOM 886 CA ARG A 61 -7.099 -8.646 7.921 1.00 0.00 C ATOM 887 C ARG A 61 -5.956 -8.346 6.955 1.00 0.00 C ATOM 888 O ARG A 61 -5.013 -9.128 6.834 1.00 0.00 O ATOM 889 CB ARG A 61 -7.177 -10.150 8.186 1.00 0.00 C ATOM 890 CG ARG A 61 -8.022 -10.513 9.396 1.00 0.00 C ATOM 891 CD ARG A 61 -7.560 -11.817 10.028 1.00 0.00 C ATOM 892 NE ARG A 61 -6.548 -11.597 11.058 1.00 0.00 N ATOM 893 CZ ARG A 61 -6.832 -11.209 12.296 1.00 0.00 C ATOM 894 NH1 ARG A 61 -8.091 -10.998 12.656 1.00 0.00 N ATOM 895 NH2 ARG A 61 -5.857 -11.030 13.177 1.00 0.00 N ATOM 0 HA ARG A 61 -6.903 -8.129 8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.587 -10.645 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.168 -10.538 8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.968 -9.711 10.133 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.067 -10.602 9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.416 -12.332 10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.155 -12.471 9.256 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.570 -11.750 10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.844 -11.134 11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.306 -10.700 13.607 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.887 -11.190 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.077 -10.732 14.127 1.00 0.00 H new ATOM 909 N ILE A 62 -6.048 -7.211 6.271 1.00 0.00 N ATOM 910 CA ILE A 62 -5.022 -6.809 5.318 1.00 0.00 C ATOM 911 C ILE A 62 -3.889 -6.060 6.012 1.00 0.00 C ATOM 912 O ILE A 62 -2.712 -6.335 5.777 1.00 0.00 O ATOM 913 CB ILE A 62 -5.605 -5.918 4.205 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.563 -6.724 3.326 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.487 -5.317 3.367 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.308 -5.882 2.313 1.00 0.00 C ATOM 0 H ILE A 62 -6.823 -6.554 6.359 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.630 -7.723 4.873 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.164 -5.104 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.999 -7.495 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.285 -7.235 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.915 -4.690 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.840 -4.713 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.903 -6.117 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.968 -6.520 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.899 -5.127 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.594 -5.392 1.651 1.00 0.00 H new ATOM 928 N LYS A 63 -4.253 -5.113 6.870 1.00 0.00 N ATOM 929 CA LYS A 63 -3.268 -4.325 7.603 1.00 0.00 C ATOM 930 C LYS A 63 -2.314 -5.229 8.376 1.00 0.00 C ATOM 931 O LYS A 63 -1.096 -5.054 8.349 1.00 0.00 O ATOM 932 CB LYS A 63 -3.969 -3.363 8.565 1.00 0.00 C ATOM 933 CG LYS A 63 -3.238 -2.044 8.745 1.00 0.00 C ATOM 934 CD LYS A 63 -3.734 -1.294 9.970 1.00 0.00 C ATOM 935 CE LYS A 63 -2.842 -0.107 10.297 1.00 0.00 C ATOM 936 NZ LYS A 63 -2.980 0.984 9.292 1.00 0.00 N ATOM 0 H LYS A 63 -5.223 -4.872 7.075 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.689 -3.750 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.976 -3.164 8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.074 -3.846 9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.168 -2.230 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.377 -1.426 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.753 -0.948 9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.767 -1.971 10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.095 0.276 11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.803 -0.434 10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.307 1.746 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.780 0.609 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.949 1.360 9.319 1.00 0.00 H new ATOM 950 N PRO A 64 -2.878 -6.221 9.081 1.00 0.00 N ATOM 951 CA PRO A 64 -2.095 -7.174 9.874 1.00 0.00 C ATOM 952 C PRO A 64 -0.917 -7.747 9.093 1.00 0.00 C ATOM 953 O PRO A 64 0.241 -7.519 9.440 1.00 0.00 O ATOM 954 CB PRO A 64 -3.105 -8.275 10.204 1.00 0.00 C ATOM 955 CG PRO A 64 -4.431 -7.598 10.160 1.00 0.00 C ATOM 956 CD PRO A 64 -4.324 -6.489 9.159 1.00 0.00 C ATOM 0 HA PRO A 64 -1.652 -6.706 10.753 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.052 -9.090 9.482 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.913 -8.707 11.186 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.214 -8.301 9.874 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.697 -7.207 11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.728 -6.784 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.877 -5.606 9.480 1.00 0.00 H new ATOM 964 N ALA A 65 -1.222 -8.493 8.036 1.00 0.00 N ATOM 965 CA ALA A 65 -0.188 -9.098 7.204 1.00 0.00 C ATOM 966 C ALA A 65 0.860 -8.068 6.797 1.00 0.00 C ATOM 967 O ALA A 65 2.049 -8.238 7.068 1.00 0.00 O ATOM 968 CB ALA A 65 -0.810 -9.737 5.971 1.00 0.00 C ATOM 0 H ALA A 65 -2.176 -8.693 7.736 1.00 0.00 H new ATOM 0 HA ALA A 65 0.309 -9.872 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.027 -10.185 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.516 -10.508 6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.333 -8.976 5.392 1.00 0.00 H new ATOM 974 N VAL A 66 0.413 -7.001 6.144 1.00 0.00 N ATOM 975 CA VAL A 66 1.313 -5.943 5.699 1.00 0.00 C ATOM 976 C VAL A 66 2.267 -5.529 6.814 1.00 0.00 C ATOM 977 O VAL A 66 3.487 -5.584 6.653 1.00 0.00 O ATOM 978 CB VAL A 66 0.531 -4.705 5.222 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.486 -3.573 4.872 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.349 -5.058 4.032 1.00 0.00 C ATOM 0 H VAL A 66 -0.568 -6.846 5.911 1.00 0.00 H new ATOM 0 HA VAL A 66 1.887 -6.345 4.864 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.113 -4.367 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.916 -2.707 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.070 -3.305 5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.157 -3.896 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.895 -4.172 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.273 -5.421 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.057 -5.835 4.321 1.00 0.00 H new ATOM 990 N ILE A 67 1.704 -5.116 7.944 1.00 0.00 N ATOM 991 CA ILE A 67 2.505 -4.695 9.087 1.00 0.00 C ATOM 992 C ILE A 67 3.538 -5.755 9.455 1.00 0.00 C ATOM 993 O ILE A 67 4.662 -5.434 9.840 1.00 0.00 O ATOM 994 CB ILE A 67 1.624 -4.404 10.316 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.703 -3.213 10.040 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.490 -4.139 11.538 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.426 -3.079 11.038 1.00 0.00 C ATOM 0 H ILE A 67 0.696 -5.064 8.093 1.00 0.00 H new ATOM 0 HA ILE A 67 3.017 -3.779 8.793 1.00 0.00 H new ATOM 0 HB ILE A 67 1.005 -5.279 10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.294 -2.297 10.047 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.283 -3.313 9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.853 -3.935 12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.107 -5.014 11.743 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.132 -3.278 11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.038 -2.214 10.781 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.041 -3.979 11.015 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.014 -2.947 12.038 1.00 0.00 H new ATOM 1009 N LYS A 68 3.149 -7.019 9.333 1.00 0.00 N ATOM 1010 CA LYS A 68 4.041 -8.128 9.650 1.00 0.00 C ATOM 1011 C LYS A 68 5.158 -8.240 8.617 1.00 0.00 C ATOM 1012 O LYS A 68 6.317 -8.466 8.965 1.00 0.00 O ATOM 1013 CB LYS A 68 3.255 -9.440 9.710 1.00 0.00 C ATOM 1014 CG LYS A 68 4.030 -10.585 10.340 1.00 0.00 C ATOM 1015 CD LYS A 68 4.818 -11.364 9.300 1.00 0.00 C ATOM 1016 CE LYS A 68 5.183 -12.752 9.803 1.00 0.00 C ATOM 1017 NZ LYS A 68 6.328 -12.714 10.754 1.00 0.00 N ATOM 0 H LYS A 68 2.221 -7.301 9.017 1.00 0.00 H new ATOM 0 HA LYS A 68 4.489 -7.934 10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.337 -9.279 10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.961 -9.724 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.711 -10.192 11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.339 -11.255 10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.231 -11.450 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.726 -10.818 9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.318 -13.200 10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.435 -13.390 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.546 -13.679 11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.161 -12.310 10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.078 -12.126 11.574 1.00 0.00 H new ATOM 1031 N TYR A 69 4.803 -8.077 7.348 1.00 0.00 N ATOM 1032 CA TYR A 69 5.776 -8.160 6.265 1.00 0.00 C ATOM 1033 C TYR A 69 6.704 -6.949 6.272 1.00 0.00 C ATOM 1034 O TYR A 69 7.858 -7.033 5.849 1.00 0.00 O ATOM 1035 CB TYR A 69 5.062 -8.262 4.916 1.00 0.00 C ATOM 1036 CG TYR A 69 5.998 -8.205 3.730 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.625 -7.018 3.371 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.255 -9.338 2.968 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.480 -6.962 2.288 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.109 -9.291 1.884 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.719 -8.101 1.547 1.00 0.00 C ATOM 1042 OH TYR A 69 8.571 -8.049 0.468 1.00 0.00 O ATOM 0 H TYR A 69 3.848 -7.887 7.043 1.00 0.00 H new ATOM 0 HA TYR A 69 6.377 -9.056 6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.501 -9.196 4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.337 -7.452 4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.441 -6.124 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.779 -10.272 3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.959 -6.031 2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.298 -10.182 1.303 1.00 0.00 H new ATOM 0 HH TYR A 69 8.631 -8.936 0.055 1.00 0.00 H new ATOM 1052 N LEU A 70 6.192 -5.823 6.756 1.00 0.00 N ATOM 1053 CA LEU A 70 6.973 -4.593 6.820 1.00 0.00 C ATOM 1054 C LEU A 70 8.084 -4.707 7.859 1.00 0.00 C ATOM 1055 O LEU A 70 9.264 -4.561 7.539 1.00 0.00 O ATOM 1056 CB LEU A 70 6.067 -3.407 7.154 1.00 0.00 C ATOM 1057 CG LEU A 70 5.086 -2.983 6.061 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.087 -1.972 6.602 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.833 -2.409 4.866 1.00 0.00 C ATOM 0 H LEU A 70 5.239 -5.736 7.110 1.00 0.00 H new ATOM 0 HA LEU A 70 7.429 -4.430 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.497 -3.652 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.697 -2.552 7.400 1.00 0.00 H new ATOM 0 HG LEU A 70 4.537 -3.865 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.397 -1.682 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.528 -2.417 7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.619 -1.091 6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.118 -2.113 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.409 -1.539 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.508 -3.164 4.462 1.00 0.00 H new ATOM 1071 N ILE A 71 7.699 -4.971 9.103 1.00 0.00 N ATOM 1072 CA ILE A 71 8.663 -5.108 10.188 1.00 0.00 C ATOM 1073 C ILE A 71 9.805 -6.039 9.794 1.00 0.00 C ATOM 1074 O ILE A 71 10.971 -5.761 10.075 1.00 0.00 O ATOM 1075 CB ILE A 71 7.997 -5.645 11.468 1.00 0.00 C ATOM 1076 CG1 ILE A 71 6.883 -4.700 11.924 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.032 -5.822 12.569 1.00 0.00 C ATOM 1078 CD1 ILE A 71 5.928 -5.326 12.916 1.00 0.00 C ATOM 0 H ILE A 71 6.726 -5.094 9.385 1.00 0.00 H new ATOM 0 HA ILE A 71 9.060 -4.112 10.385 1.00 0.00 H new ATOM 0 HB ILE A 71 7.556 -6.618 11.250 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.331 -3.813 12.373 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.321 -4.366 11.052 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.546 -6.202 13.468 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.794 -6.529 12.242 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.498 -4.861 12.788 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.165 -4.599 13.195 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.452 -6.196 12.464 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.478 -5.634 13.805 1.00 0.00 H new ATOM 1090 N SER A 72 9.462 -7.144 9.140 1.00 0.00 N ATOM 1091 CA SER A 72 10.458 -8.117 8.708 1.00 0.00 C ATOM 1092 C SER A 72 11.595 -7.434 7.954 1.00 0.00 C ATOM 1093 O SER A 72 12.762 -7.551 8.328 1.00 0.00 O ATOM 1094 CB SER A 72 9.810 -9.183 7.822 1.00 0.00 C ATOM 1095 OG SER A 72 9.259 -10.229 8.602 1.00 0.00 O ATOM 0 H SER A 72 8.502 -7.388 8.898 1.00 0.00 H new ATOM 0 HA SER A 72 10.871 -8.595 9.596 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.028 -8.728 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.552 -9.590 7.135 1.00 0.00 H new ATOM 0 HG SER A 72 8.850 -10.896 8.012 1.00 0.00 H new ATOM 1101 N HIS A 73 11.244 -6.719 6.889 1.00 0.00 N ATOM 1102 CA HIS A 73 12.234 -6.015 6.082 1.00 0.00 C ATOM 1103 C HIS A 73 12.624 -4.691 6.732 1.00 0.00 C ATOM 1104 O HIS A 73 13.283 -3.855 6.114 1.00 0.00 O ATOM 1105 CB HIS A 73 11.690 -5.765 4.675 1.00 0.00 C ATOM 1106 CG HIS A 73 11.686 -6.987 3.808 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.859 -7.131 2.714 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.416 -8.124 3.878 1.00 0.00 C ATOM 1109 CE1 HIS A 73 11.079 -8.305 2.150 1.00 0.00 C ATOM 1110 NE2 HIS A 73 12.020 -8.927 2.837 1.00 0.00 N ATOM 0 H HIS A 73 10.283 -6.612 6.566 1.00 0.00 H new ATOM 0 HA HIS A 73 13.123 -6.641 6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.673 -5.380 4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.289 -4.991 4.195 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.170 -8.357 4.615 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.575 -8.691 1.276 1.00 0.00 H new ATOM 0 HE2 HIS A 73 12.392 -9.853 2.628 1.00 0.00 H new ATOM 1118 N SER A 74 12.212 -4.508 7.982 1.00 0.00 N ATOM 1119 CA SER A 74 12.514 -3.283 8.715 1.00 0.00 C ATOM 1120 C SER A 74 12.011 -2.059 7.957 1.00 0.00 C ATOM 1121 O SER A 74 12.674 -1.022 7.919 1.00 0.00 O ATOM 1122 CB SER A 74 14.021 -3.166 8.953 1.00 0.00 C ATOM 1123 OG SER A 74 14.467 -4.135 9.886 1.00 0.00 O ATOM 0 H SER A 74 11.668 -5.192 8.509 1.00 0.00 H new ATOM 0 HA SER A 74 12.003 -3.328 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.552 -3.293 8.010 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.258 -2.167 9.320 1.00 0.00 H new ATOM 0 HG SER A 74 15.433 -4.040 10.019 1.00 0.00 H new ATOM 1129 N PHE A 75 10.833 -2.186 7.354 1.00 0.00 N ATOM 1130 CA PHE A 75 10.240 -1.091 6.596 1.00 0.00 C ATOM 1131 C PHE A 75 9.666 -0.031 7.531 1.00 0.00 C ATOM 1132 O PHE A 75 8.673 -0.268 8.220 1.00 0.00 O ATOM 1133 CB PHE A 75 9.142 -1.620 5.670 1.00 0.00 C ATOM 1134 CG PHE A 75 9.643 -2.008 4.308 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.339 -1.100 3.526 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.417 -3.281 3.809 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.799 -1.455 2.273 1.00 0.00 C ATOM 1138 CE2 PHE A 75 9.876 -3.641 2.556 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.569 -2.727 1.787 1.00 0.00 C ATOM 0 H PHE A 75 10.271 -3.037 7.376 1.00 0.00 H new ATOM 0 HA PHE A 75 11.024 -0.632 5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.671 -2.486 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.371 -0.858 5.561 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.524 -0.104 3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.876 -4.000 4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.339 -0.737 1.673 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.693 -4.636 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.930 -3.006 0.808 1.00 0.00 H new ATOM 1149 N ARG A 76 10.297 1.138 7.549 1.00 0.00 N ATOM 1150 CA ARG A 76 9.851 2.235 8.400 1.00 0.00 C ATOM 1151 C ARG A 76 8.521 2.798 7.908 1.00 0.00 C ATOM 1152 O ARG A 76 8.317 2.977 6.707 1.00 0.00 O ATOM 1153 CB ARG A 76 10.905 3.343 8.435 1.00 0.00 C ATOM 1154 CG ARG A 76 10.664 4.377 9.522 1.00 0.00 C ATOM 1155 CD ARG A 76 11.286 3.952 10.844 1.00 0.00 C ATOM 1156 NE ARG A 76 10.379 3.125 11.634 1.00 0.00 N ATOM 1157 CZ ARG A 76 10.677 2.652 12.839 1.00 0.00 C ATOM 1158 NH1 ARG A 76 11.853 2.923 13.389 1.00 0.00 N ATOM 1159 NH2 ARG A 76 9.798 1.906 13.497 1.00 0.00 N ATOM 0 H ARG A 76 11.119 1.350 6.984 1.00 0.00 H new ATOM 0 HA ARG A 76 9.710 1.846 9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.887 2.894 8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.926 3.844 7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.082 5.335 9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.592 4.525 9.654 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.205 3.399 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.561 4.838 11.417 1.00 0.00 H new ATOM 0 HE ARG A 76 9.466 2.898 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.531 3.496 12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.079 2.559 14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.892 1.695 13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.028 1.543 14.422 1.00 0.00 H new ATOM 1173 N PHE A 77 7.619 3.076 8.843 1.00 0.00 N ATOM 1174 CA PHE A 77 6.308 3.618 8.505 1.00 0.00 C ATOM 1175 C PHE A 77 5.714 4.381 9.685 1.00 0.00 C ATOM 1176 O PHE A 77 6.123 4.190 10.831 1.00 0.00 O ATOM 1177 CB PHE A 77 5.362 2.494 8.080 1.00 0.00 C ATOM 1178 CG PHE A 77 5.113 1.481 9.161 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.160 0.752 9.701 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.830 1.256 9.635 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.934 -0.180 10.696 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.598 0.325 10.630 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.651 -0.395 11.160 1.00 0.00 C ATOM 0 H PHE A 77 7.772 2.935 9.842 1.00 0.00 H new ATOM 0 HA PHE A 77 6.433 4.311 7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.410 2.927 7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.779 1.989 7.208 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.165 0.914 9.340 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.003 1.814 9.222 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.760 -0.740 11.110 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.594 0.161 10.993 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.471 -1.125 11.936 1.00 0.00 H new ATOM 1193 N SER A 78 4.746 5.245 9.397 1.00 0.00 N ATOM 1194 CA SER A 78 4.097 6.040 10.433 1.00 0.00 C ATOM 1195 C SER A 78 2.603 6.175 10.158 1.00 0.00 C ATOM 1196 O SER A 78 2.196 6.761 9.155 1.00 0.00 O ATOM 1197 CB SER A 78 4.739 7.426 10.519 1.00 0.00 C ATOM 1198 OG SER A 78 4.668 7.940 11.838 1.00 0.00 O ATOM 0 H SER A 78 4.394 5.412 8.455 1.00 0.00 H new ATOM 0 HA SER A 78 4.228 5.527 11.386 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.781 7.368 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.236 8.107 9.832 1.00 0.00 H new ATOM 0 HG SER A 78 5.086 8.826 11.867 1.00 0.00 H new ATOM 1204 N GLU A 79 1.790 5.628 11.057 1.00 0.00 N ATOM 1205 CA GLU A 79 0.340 5.687 10.911 1.00 0.00 C ATOM 1206 C GLU A 79 -0.169 7.112 11.110 1.00 0.00 C ATOM 1207 O GLU A 79 -0.248 7.602 12.237 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.334 4.748 11.913 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.726 4.308 11.493 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.107 2.954 12.061 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -1.216 2.087 12.178 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.297 2.763 12.389 1.00 0.00 O ATOM 0 H GLU A 79 2.111 5.140 11.893 1.00 0.00 H new ATOM 0 HA GLU A 79 0.089 5.368 9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.291 3.866 12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.396 5.246 12.880 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.452 5.052 11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.778 4.269 10.405 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.512 7.770 10.009 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.015 9.138 10.062 1.00 0.00 C ATOM 1221 C ILE A 80 -2.539 9.165 10.032 1.00 0.00 C ATOM 1222 O ILE A 80 -3.164 10.115 10.505 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.474 9.982 8.893 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.842 9.336 7.555 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.034 10.146 9.011 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.641 10.250 6.367 1.00 0.00 C ATOM 0 H ILE A 80 -0.451 7.379 9.069 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.665 9.567 11.001 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.932 10.970 8.936 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.241 8.437 7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.885 9.020 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.401 10.745 8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.273 10.645 9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.509 9.165 8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.922 9.726 5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.263 11.138 6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.407 10.546 6.309 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.133 8.116 9.474 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.585 8.016 9.384 1.00 0.00 C ATOM 1240 C LYS A 81 -5.052 6.595 9.681 1.00 0.00 C ATOM 1241 O LYS A 81 -4.326 5.622 9.477 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.061 8.440 7.993 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.544 9.802 7.562 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.498 10.914 7.964 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.725 10.947 7.065 1.00 0.00 C ATOM 1246 NZ LYS A 81 -7.818 11.773 7.649 1.00 0.00 N ATOM 0 H LYS A 81 -2.631 7.322 9.077 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.017 8.685 10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.742 7.693 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.151 8.453 7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.567 9.980 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.405 9.814 6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.808 10.773 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.983 11.873 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.450 11.347 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.084 9.931 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.636 11.770 7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.099 11.377 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.484 12.749 7.780 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.294 6.470 10.174 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.886 5.171 10.507 1.00 0.00 C ATOM 1262 C PRO A 82 -7.188 4.336 9.267 1.00 0.00 C ATOM 1263 O PRO A 82 -7.742 3.242 9.364 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.183 5.547 11.228 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.526 6.901 10.708 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.215 7.587 10.442 1.00 0.00 C ATOM 0 HA PRO A 82 -6.212 4.557 11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.976 4.829 11.017 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.045 5.561 12.309 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.121 6.830 9.798 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.118 7.459 11.433 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.282 8.266 9.592 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.890 8.179 11.298 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.820 4.860 8.102 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.060 4.149 6.860 1.00 0.00 C ATOM 1276 C GLY A 83 -5.964 4.381 5.838 1.00 0.00 C ATOM 1277 O GLY A 83 -6.215 4.357 4.633 1.00 0.00 O ATOM 0 H GLY A 83 -6.360 5.764 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.141 3.082 7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.015 4.466 6.442 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.747 4.608 6.320 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.609 4.848 5.439 1.00 0.00 C ATOM 1283 C CYS A 84 -2.302 4.462 6.123 1.00 0.00 C ATOM 1284 O CYS A 84 -2.196 4.497 7.349 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.564 6.318 5.019 1.00 0.00 C ATOM 1286 SG CYS A 84 -2.851 6.597 3.381 1.00 0.00 S ATOM 0 H CYS A 84 -4.523 4.631 7.315 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.731 4.228 4.551 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.577 6.721 5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -2.986 6.877 5.755 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.859 7.870 3.115 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.309 4.091 5.322 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.008 3.696 5.849 1.00 0.00 C ATOM 1294 C LEU A 85 1.122 4.284 5.010 1.00 0.00 C ATOM 1295 O LEU A 85 1.295 3.927 3.844 1.00 0.00 O ATOM 1296 CB LEU A 85 0.109 2.171 5.884 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.678 1.463 6.988 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.795 -0.024 6.691 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.019 1.688 8.341 1.00 0.00 C ATOM 0 H LEU A 85 -1.380 4.056 4.305 1.00 0.00 H new ATOM 0 HA LEU A 85 0.078 4.085 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.221 1.779 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.162 1.910 5.991 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.682 1.886 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.358 -0.511 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.312 -0.166 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.201 -0.462 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.592 1.177 9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.997 1.293 8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.012 2.756 8.558 1.00 0.00 H new ATOM 1311 N LYS A 86 1.890 5.187 5.610 1.00 0.00 N ATOM 1312 CA LYS A 86 3.006 5.823 4.920 1.00 0.00 C ATOM 1313 C LYS A 86 4.280 4.997 5.068 1.00 0.00 C ATOM 1314 O LYS A 86 4.877 4.946 6.143 1.00 0.00 O ATOM 1315 CB LYS A 86 3.234 7.234 5.468 1.00 0.00 C ATOM 1316 CG LYS A 86 4.067 8.114 4.553 1.00 0.00 C ATOM 1317 CD LYS A 86 4.041 9.566 5.001 1.00 0.00 C ATOM 1318 CE LYS A 86 5.082 10.395 4.265 1.00 0.00 C ATOM 1319 NZ LYS A 86 6.467 10.048 4.687 1.00 0.00 N ATOM 0 H LYS A 86 1.760 5.495 6.574 1.00 0.00 H new ATOM 0 HA LYS A 86 2.756 5.887 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.268 7.710 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.727 7.163 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.096 7.755 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.690 8.040 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.050 9.985 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.224 9.620 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.979 10.237 3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.900 11.454 4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.110 10.827 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.488 9.893 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.771 9.181 4.200 1.00 0.00 H new ATOM 1333 N VAL A 87 4.691 4.351 3.981 1.00 0.00 N ATOM 1334 CA VAL A 87 5.895 3.530 3.990 1.00 0.00 C ATOM 1335 C VAL A 87 7.012 4.184 3.185 1.00 0.00 C ATOM 1336 O VAL A 87 6.864 4.437 1.990 1.00 0.00 O ATOM 1337 CB VAL A 87 5.621 2.125 3.420 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.888 1.284 3.439 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.506 1.443 4.198 1.00 0.00 C ATOM 0 H VAL A 87 4.207 4.381 3.083 1.00 0.00 H new ATOM 0 HA VAL A 87 6.207 3.437 5.030 1.00 0.00 H new ATOM 0 HB VAL A 87 5.299 2.229 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.675 0.295 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.655 1.767 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.244 1.186 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.326 0.452 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.797 1.350 5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.596 2.038 4.126 1.00 0.00 H new ATOM 1349 N MET A 88 8.132 4.454 3.849 1.00 0.00 N ATOM 1350 CA MET A 88 9.276 5.078 3.194 1.00 0.00 C ATOM 1351 C MET A 88 9.961 4.098 2.247 1.00 0.00 C ATOM 1352 O MET A 88 10.545 3.104 2.681 1.00 0.00 O ATOM 1353 CB MET A 88 10.276 5.580 4.237 1.00 0.00 C ATOM 1354 CG MET A 88 9.667 6.531 5.255 1.00 0.00 C ATOM 1355 SD MET A 88 9.038 8.044 4.503 1.00 0.00 S ATOM 1356 CE MET A 88 10.529 9.033 4.433 1.00 0.00 C ATOM 0 H MET A 88 8.271 4.251 4.839 1.00 0.00 H new ATOM 0 HA MET A 88 8.913 5.925 2.612 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.702 4.724 4.761 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.098 6.084 3.728 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.855 6.026 5.778 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.418 6.786 6.002 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.302 10.003 3.990 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.918 9.177 5.441 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.276 8.522 3.825 1.00 0.00 H new ATOM 1366 N LEU A 89 9.885 4.383 0.951 1.00 0.00 N ATOM 1367 CA LEU A 89 10.497 3.527 -0.058 1.00 0.00 C ATOM 1368 C LEU A 89 12.014 3.491 0.105 1.00 0.00 C ATOM 1369 O LEU A 89 12.601 4.366 0.742 1.00 0.00 O ATOM 1370 CB LEU A 89 10.135 4.018 -1.461 1.00 0.00 C ATOM 1371 CG LEU A 89 8.666 3.880 -1.861 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.440 4.431 -3.261 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.225 2.426 -1.781 1.00 0.00 C ATOM 0 H LEU A 89 9.405 5.201 0.575 1.00 0.00 H new ATOM 0 HA LEU A 89 10.111 2.516 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.415 5.068 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.741 3.471 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 89 8.063 4.460 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.389 4.324 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.716 5.485 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.054 3.879 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.177 2.347 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.833 1.824 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.349 2.064 -0.760 1.00 0.00 H new