USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 825 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 72 HIS : no HD1:sc= -0.457 K(o=0.91,f=-8.6!) USER MOD Set 1.2: B 3 THR OG1 : rot 19:sc= 1.36 USER MOD Single : A 15 CYS SG : rot -90:sc= 0.213 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.751 USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= -0.235 (180deg=-2.82!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.393 F(o=-2.8!,f=-0.39) USER MOD Single : A 24 TYR OH : rot -165:sc= -0.256 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.172 F(o=-0.79,f=-0.17) USER MOD Single : A 29 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.5!) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= -0.0146 (180deg=-0.134) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0669) USER MOD Single : A 37 GLN : amide:sc= -1.12! C(o=-1.1!,f=-6.9!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -75:sc= 1.17 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.4! C(o=-1.4!,f=-14!) USER MOD Single : A 66 ASN :FLIP amide:sc=-0.00674 F(o=-2.2!,f=-0.0067) USER MOD Single : A 69 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.416) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 73 GLN : amide:sc= -0.0457 K(o=-0.046,f=-0.58) USER MOD Single : A 74 GLN : amide:sc= 0.169 K(o=0.17,f=-3.4!) USER MOD Single : A 77 SER OG : rot 77:sc= 1.3 USER MOD Single : A 84 ASN : amide:sc= 0.773 K(o=0.77,f=-0.25) USER MOD Single : A 95 THR OG1 : rot 174:sc= -1.44! USER MOD Single : A 98 GLN : amide:sc= 0.303 X(o=0.3,f=-0.094) USER MOD Single : A 100 GLN : amide:sc= 0.178 K(o=0.18,f=-2.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN :FLIP amide:sc=-0.00195 F(o=-1.2!,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -11.564 -6.659 -4.191 1.00 0.00 N ATOM 107 CA LEU A 11 -10.853 -6.172 -3.011 1.00 0.00 C ATOM 108 C LEU A 11 -10.369 -4.728 -3.211 1.00 0.00 C ATOM 109 O LEU A 11 -10.256 -4.260 -4.345 1.00 0.00 O ATOM 110 CB LEU A 11 -9.690 -7.122 -2.676 1.00 0.00 C ATOM 111 CG LEU A 11 -8.885 -7.648 -3.870 1.00 0.00 C ATOM 112 CD1 LEU A 11 -7.947 -6.585 -4.418 1.00 0.00 C ATOM 113 CD2 LEU A 11 -8.109 -8.890 -3.471 1.00 0.00 C ATOM 0 HA LEU A 11 -11.540 -6.159 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.007 -6.604 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.091 -7.976 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.587 -7.909 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.391 -6.991 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.527 -5.722 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.249 -6.279 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.541 -9.255 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.424 -8.646 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.803 -9.662 -3.141 1.00 0.00 H new ATOM 125 N PRO A 12 -10.090 -3.999 -2.116 1.00 0.00 N ATOM 126 CA PRO A 12 -9.732 -2.574 -2.175 1.00 0.00 C ATOM 127 C PRO A 12 -8.413 -2.316 -2.898 1.00 0.00 C ATOM 128 O PRO A 12 -7.621 -3.231 -3.123 1.00 0.00 O ATOM 129 CB PRO A 12 -9.604 -2.160 -0.702 1.00 0.00 C ATOM 130 CG PRO A 12 -10.259 -3.249 0.076 1.00 0.00 C ATOM 131 CD PRO A 12 -10.087 -4.500 -0.734 1.00 0.00 C ATOM 0 HA PRO A 12 -10.480 -2.011 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.558 -2.047 -0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.089 -1.201 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.801 -3.355 1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.315 -3.032 0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.156 -5.013 -0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.896 -5.209 -0.559 1.00 0.00 H new ATOM 139 N ARG A 13 -8.181 -1.059 -3.246 1.00 0.00 N ATOM 140 CA ARG A 13 -6.957 -0.671 -3.923 1.00 0.00 C ATOM 141 C ARG A 13 -6.355 0.559 -3.258 1.00 0.00 C ATOM 142 O ARG A 13 -7.076 1.471 -2.846 1.00 0.00 O ATOM 143 CB ARG A 13 -7.222 -0.392 -5.409 1.00 0.00 C ATOM 144 CG ARG A 13 -8.226 0.722 -5.659 1.00 0.00 C ATOM 145 CD ARG A 13 -8.417 0.980 -7.146 1.00 0.00 C ATOM 146 NE ARG A 13 -7.182 1.411 -7.801 1.00 0.00 N ATOM 147 CZ ARG A 13 -7.003 1.417 -9.122 1.00 0.00 C ATOM 148 NH1 ARG A 13 -7.981 1.039 -9.936 1.00 0.00 N ATOM 149 NH2 ARG A 13 -5.841 1.814 -9.624 1.00 0.00 N ATOM 0 H ARG A 13 -8.827 -0.290 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.248 -1.496 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.280 -0.134 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.583 -1.306 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.183 0.458 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.886 1.636 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.781 0.072 -7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.183 1.743 -7.284 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.411 1.726 -7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.878 0.741 -9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.836 1.047 -10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.091 2.112 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.697 1.821 -10.634 1.00 0.00 H new ATOM 163 N LEU A 14 -5.040 0.568 -3.133 1.00 0.00 N ATOM 164 CA LEU A 14 -4.339 1.705 -2.566 1.00 0.00 C ATOM 165 C LEU A 14 -3.911 2.636 -3.691 1.00 0.00 C ATOM 166 O LEU A 14 -3.291 2.207 -4.664 1.00 0.00 O ATOM 167 CB LEU A 14 -3.129 1.226 -1.747 1.00 0.00 C ATOM 168 CG LEU A 14 -2.406 2.297 -0.915 1.00 0.00 C ATOM 169 CD1 LEU A 14 -1.670 1.647 0.247 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.423 3.086 -1.769 1.00 0.00 C ATOM 0 H LEU A 14 -4.435 -0.202 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.999 2.250 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.462 0.436 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.408 0.779 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.157 2.987 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.161 2.414 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.384 1.122 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.937 0.938 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.927 3.836 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.678 2.408 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.959 3.579 -2.580 1.00 0.00 H new ATOM 182 N CYS A 15 -4.262 3.898 -3.566 1.00 0.00 N ATOM 183 CA CYS A 15 -3.926 4.877 -4.577 1.00 0.00 C ATOM 184 C CYS A 15 -2.928 5.881 -4.024 1.00 0.00 C ATOM 185 O CYS A 15 -3.262 6.685 -3.157 1.00 0.00 O ATOM 186 CB CYS A 15 -5.192 5.590 -5.049 1.00 0.00 C ATOM 187 SG CYS A 15 -6.468 4.469 -5.676 1.00 0.00 S ATOM 0 H CYS A 15 -4.782 4.271 -2.771 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.470 4.369 -5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.603 6.167 -4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.928 6.300 -5.833 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.302 4.293 -6.953 1.00 0.00 H new ATOM 193 N CYS A 16 -1.699 5.821 -4.504 1.00 0.00 N ATOM 194 CA CYS A 16 -0.688 6.770 -4.082 1.00 0.00 C ATOM 195 C CYS A 16 -0.787 8.028 -4.929 1.00 0.00 C ATOM 196 O CYS A 16 -0.436 8.026 -6.112 1.00 0.00 O ATOM 197 CB CYS A 16 0.710 6.158 -4.194 1.00 0.00 C ATOM 198 SG CYS A 16 2.025 7.185 -3.497 1.00 0.00 S ATOM 0 H CYS A 16 -1.379 5.129 -5.182 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.859 7.027 -3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.713 5.192 -3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.929 5.970 -5.245 1.00 0.00 H new ATOM 0 HG CYS A 16 3.168 6.581 -3.638 1.00 0.00 H new ATOM 204 N LEU A 17 -1.284 9.093 -4.331 1.00 0.00 N ATOM 205 CA LEU A 17 -1.435 10.351 -5.035 1.00 0.00 C ATOM 206 C LEU A 17 -0.150 11.160 -4.940 1.00 0.00 C ATOM 207 O LEU A 17 0.536 11.143 -3.915 1.00 0.00 O ATOM 208 CB LEU A 17 -2.638 11.142 -4.500 1.00 0.00 C ATOM 209 CG LEU A 17 -3.985 10.796 -5.144 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.416 9.384 -4.795 1.00 0.00 C ATOM 211 CD2 LEU A 17 -5.047 11.787 -4.710 1.00 0.00 C ATOM 0 H LEU A 17 -1.590 9.112 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.629 10.141 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.714 10.975 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.447 12.205 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.863 10.855 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.375 9.169 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.668 8.676 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.515 9.291 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.998 11.528 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.153 11.755 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.754 12.791 -5.016 1.00 0.00 H new ATOM 223 N GLU A 18 0.184 11.831 -6.029 1.00 0.00 N ATOM 224 CA GLU A 18 1.419 12.590 -6.127 1.00 0.00 C ATOM 225 C GLU A 18 1.137 14.081 -6.020 1.00 0.00 C ATOM 226 O GLU A 18 0.094 14.559 -6.470 1.00 0.00 O ATOM 227 CB GLU A 18 2.103 12.283 -7.463 1.00 0.00 C ATOM 228 CG GLU A 18 3.424 13.006 -7.672 1.00 0.00 C ATOM 229 CD GLU A 18 4.493 12.556 -6.702 1.00 0.00 C ATOM 230 OE1 GLU A 18 4.882 11.368 -6.751 1.00 0.00 O ATOM 231 OE2 GLU A 18 4.970 13.387 -5.905 1.00 0.00 O ATOM 0 H GLU A 18 -0.393 11.865 -6.870 1.00 0.00 H new ATOM 0 HA GLU A 18 2.077 12.303 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.276 11.209 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.425 12.548 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.769 12.836 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.268 14.079 -7.563 1.00 0.00 H new ATOM 238 N LYS A 19 2.057 14.798 -5.396 1.00 0.00 N ATOM 239 CA LYS A 19 1.988 16.248 -5.328 1.00 0.00 C ATOM 240 C LYS A 19 2.009 16.853 -6.726 1.00 0.00 C ATOM 241 O LYS A 19 3.018 16.797 -7.433 1.00 0.00 O ATOM 242 CB LYS A 19 3.149 16.797 -4.491 1.00 0.00 C ATOM 243 CG LYS A 19 3.297 18.316 -4.545 1.00 0.00 C ATOM 244 CD LYS A 19 2.090 19.043 -3.969 1.00 0.00 C ATOM 245 CE LYS A 19 1.846 18.671 -2.519 1.00 0.00 C ATOM 246 NZ LYS A 19 0.889 19.599 -1.861 1.00 0.00 N ATOM 0 H LYS A 19 2.867 14.395 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 19 1.050 16.526 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.009 16.494 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.077 16.340 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.190 18.610 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.444 18.626 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.243 20.119 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.206 18.803 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.459 17.653 -2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.792 18.681 -1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.388 20.160 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.478 20.236 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.130 19.051 -1.408 1.00 0.00 H new ATOM 260 N GLY A 20 0.876 17.404 -7.122 1.00 0.00 N ATOM 261 CA GLY A 20 0.772 18.073 -8.400 1.00 0.00 C ATOM 262 C GLY A 20 1.023 19.562 -8.280 1.00 0.00 C ATOM 263 O GLY A 20 1.987 19.975 -7.637 1.00 0.00 O ATOM 0 H GLY A 20 0.016 17.400 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.489 17.639 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.220 17.905 -8.818 1.00 0.00 H new ATOM 267 N PRO A 21 0.150 20.398 -8.871 1.00 0.00 N ATOM 268 CA PRO A 21 0.313 21.858 -8.870 1.00 0.00 C ATOM 269 C PRO A 21 0.446 22.437 -7.461 1.00 0.00 C ATOM 270 O PRO A 21 1.409 23.145 -7.158 1.00 0.00 O ATOM 271 CB PRO A 21 -0.963 22.377 -9.550 1.00 0.00 C ATOM 272 CG PRO A 21 -1.910 21.224 -9.558 1.00 0.00 C ATOM 273 CD PRO A 21 -1.059 19.988 -9.596 1.00 0.00 C ATOM 0 HA PRO A 21 1.228 22.155 -9.382 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.381 23.224 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.755 22.721 -10.563 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.544 21.234 -8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.571 21.269 -10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.552 19.144 -9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.833 19.684 -10.618 1.00 0.00 H new ATOM 281 N ASN A 22 -0.520 22.130 -6.603 1.00 0.00 N ATOM 282 CA ASN A 22 -0.495 22.605 -5.225 1.00 0.00 C ATOM 283 C ASN A 22 -1.210 21.629 -4.303 1.00 0.00 C ATOM 284 O ASN A 22 -1.813 22.023 -3.307 1.00 0.00 O ATOM 285 CB ASN A 22 -1.114 24.014 -5.115 1.00 0.00 C ATOM 286 CG ASN A 22 -2.530 24.146 -5.678 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.382 23.159 -5.462 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -2.870 25.168 -6.274 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.329 21.555 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 22 0.547 22.669 -4.911 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.128 24.307 -4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.466 24.720 -5.634 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.195 25.917 -6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.827 25.266 -6.613 1.00 0.00 H new ATOM 295 N GLY A 23 -1.118 20.350 -4.626 1.00 0.00 N ATOM 296 CA GLY A 23 -1.873 19.350 -3.905 1.00 0.00 C ATOM 297 C GLY A 23 -2.019 18.076 -4.702 1.00 0.00 C ATOM 298 O GLY A 23 -1.042 17.586 -5.262 1.00 0.00 O ATOM 0 H GLY A 23 -0.532 19.986 -5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.377 19.132 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.861 19.744 -3.664 1.00 0.00 H new ATOM 302 N TYR A 24 -3.232 17.552 -4.774 1.00 0.00 N ATOM 303 CA TYR A 24 -3.470 16.272 -5.432 1.00 0.00 C ATOM 304 C TYR A 24 -4.620 16.374 -6.433 1.00 0.00 C ATOM 305 O TYR A 24 -4.732 15.551 -7.341 1.00 0.00 O ATOM 306 CB TYR A 24 -3.739 15.193 -4.382 1.00 0.00 C ATOM 307 CG TYR A 24 -2.690 15.180 -3.294 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.390 14.781 -3.566 1.00 0.00 C ATOM 309 CD2 TYR A 24 -2.990 15.603 -2.008 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.418 14.802 -2.585 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.024 15.633 -1.023 1.00 0.00 C ATOM 312 CZ TYR A 24 -0.741 15.230 -1.315 1.00 0.00 C ATOM 313 OH TYR A 24 0.220 15.262 -0.334 1.00 0.00 O ATOM 0 H TYR A 24 -4.067 17.990 -4.386 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.578 15.994 -5.994 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.720 15.359 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.770 14.217 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.134 14.448 -4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.997 15.914 -1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.589 14.485 -2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.274 15.971 -0.028 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.210 15.354 0.542 1.00 0.00 H new ATOM 323 N GLY A 25 -5.477 17.377 -6.261 1.00 0.00 N ATOM 324 CA GLY A 25 -6.451 17.698 -7.291 1.00 0.00 C ATOM 325 C GLY A 25 -7.834 17.113 -7.067 1.00 0.00 C ATOM 326 O GLY A 25 -8.578 16.903 -8.027 1.00 0.00 O ATOM 0 H GLY A 25 -5.515 17.970 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.538 18.782 -7.363 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.074 17.344 -8.250 1.00 0.00 H new ATOM 330 N PHE A 26 -8.209 16.868 -5.820 1.00 0.00 N ATOM 331 CA PHE A 26 -9.560 16.407 -5.534 1.00 0.00 C ATOM 332 C PHE A 26 -10.170 17.198 -4.390 1.00 0.00 C ATOM 333 O PHE A 26 -9.459 17.784 -3.574 1.00 0.00 O ATOM 334 CB PHE A 26 -9.599 14.900 -5.228 1.00 0.00 C ATOM 335 CG PHE A 26 -8.844 14.475 -4.000 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.459 14.435 -3.992 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.526 14.094 -2.852 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.770 14.027 -2.868 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.839 13.681 -1.726 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.459 13.649 -1.734 1.00 0.00 C ATOM 0 H PHE A 26 -7.609 16.978 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.155 16.576 -6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.640 14.595 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.197 14.361 -6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.912 14.727 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.606 14.121 -2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.690 14.004 -2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.381 13.384 -0.841 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.920 13.329 -0.855 1.00 0.00 H new ATOM 350 N HIS A 27 -11.493 17.237 -4.365 1.00 0.00 N ATOM 351 CA HIS A 27 -12.232 17.954 -3.335 1.00 0.00 C ATOM 352 C HIS A 27 -12.932 16.954 -2.429 1.00 0.00 C ATOM 353 O HIS A 27 -13.756 16.166 -2.895 1.00 0.00 O ATOM 354 CB HIS A 27 -13.285 18.884 -3.956 1.00 0.00 C ATOM 355 CG HIS A 27 -12.733 19.996 -4.801 1.00 0.00 C ATOM 356 ND1 HIS A 27 -12.007 19.971 -5.944 1.00 0.00 N flip ATOM 357 CD2 HIS A 27 -12.956 21.325 -4.524 1.00 0.00 C flip ATOM 358 CE1 HIS A 27 -11.810 21.274 -6.329 1.00 0.00 C flip ATOM 359 NE2 HIS A 27 -12.395 22.070 -5.455 1.00 0.00 N flip ATOM 0 H HIS A 27 -12.084 16.774 -5.055 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.525 18.557 -2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -13.961 18.286 -4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -13.881 19.319 -3.154 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.506 21.700 -3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.265 21.595 -7.204 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.411 23.089 -5.493 1.00 0.00 H new ATOM 368 N LEU A 28 -12.607 16.969 -1.148 1.00 0.00 N ATOM 369 CA LEU A 28 -13.236 16.050 -0.214 1.00 0.00 C ATOM 370 C LEU A 28 -14.348 16.743 0.561 1.00 0.00 C ATOM 371 O LEU A 28 -14.212 17.900 0.969 1.00 0.00 O ATOM 372 CB LEU A 28 -12.219 15.476 0.771 1.00 0.00 C ATOM 373 CG LEU A 28 -12.783 14.399 1.700 1.00 0.00 C ATOM 374 CD1 LEU A 28 -12.391 13.011 1.219 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.334 14.630 3.128 1.00 0.00 C ATOM 0 H LEU A 28 -11.920 17.599 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.658 15.234 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.385 15.055 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.818 16.289 1.377 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.871 14.466 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.803 12.262 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.784 12.849 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.305 12.925 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.747 13.852 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.245 14.600 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.686 15.605 3.467 1.00 0.00 H new ATOM 387 N HIS A 29 -15.449 16.036 0.743 1.00 0.00 N ATOM 388 CA HIS A 29 -16.551 16.523 1.551 1.00 0.00 C ATOM 389 C HIS A 29 -16.624 15.722 2.839 1.00 0.00 C ATOM 390 O HIS A 29 -16.350 14.524 2.838 1.00 0.00 O ATOM 391 CB HIS A 29 -17.867 16.382 0.796 1.00 0.00 C ATOM 392 CG HIS A 29 -18.767 17.570 0.933 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.848 17.621 1.786 1.00 0.00 N ATOM 394 CD2 HIS A 29 -18.734 18.764 0.302 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.442 18.795 1.669 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.783 19.509 0.773 1.00 0.00 N ATOM 0 H HIS A 29 -15.603 15.113 0.337 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.383 17.576 1.776 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.654 16.218 -0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -18.390 15.497 1.157 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -20.143 16.870 2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.012 19.075 -0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.318 19.117 2.213 1.00 0.00 H new ATOM 405 N GLY A 30 -16.957 16.382 3.934 1.00 0.00 N ATOM 406 CA GLY A 30 -17.120 15.679 5.183 1.00 0.00 C ATOM 407 C GLY A 30 -18.473 15.950 5.790 1.00 0.00 C ATOM 408 O GLY A 30 -18.861 17.107 5.953 1.00 0.00 O ATOM 0 H GLY A 30 -17.117 17.388 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.000 14.608 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.339 15.984 5.879 1.00 0.00 H new ATOM 412 N GLU A 31 -19.187 14.890 6.127 1.00 0.00 N ATOM 413 CA GLU A 31 -20.514 15.013 6.703 1.00 0.00 C ATOM 414 C GLU A 31 -20.446 14.820 8.213 1.00 0.00 C ATOM 415 O GLU A 31 -19.594 14.084 8.708 1.00 0.00 O ATOM 416 CB GLU A 31 -21.463 13.977 6.084 1.00 0.00 C ATOM 417 CG GLU A 31 -21.427 13.933 4.560 1.00 0.00 C ATOM 418 CD GLU A 31 -21.779 15.260 3.919 1.00 0.00 C ATOM 419 OE1 GLU A 31 -22.982 15.527 3.714 1.00 0.00 O ATOM 420 OE2 GLU A 31 -20.855 16.044 3.611 1.00 0.00 O ATOM 0 H GLU A 31 -18.867 13.929 6.010 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.897 16.010 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.209 12.990 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.481 14.194 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.431 13.632 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -22.122 13.170 4.208 1.00 0.00 H new ATOM 427 N LYS A 32 -21.323 15.516 8.937 1.00 0.00 N ATOM 428 CA LYS A 32 -21.431 15.378 10.392 1.00 0.00 C ATOM 429 C LYS A 32 -20.108 15.660 11.102 1.00 0.00 C ATOM 430 O LYS A 32 -19.885 15.204 12.225 1.00 0.00 O ATOM 431 CB LYS A 32 -21.939 13.981 10.760 1.00 0.00 C ATOM 432 CG LYS A 32 -23.449 13.904 10.889 1.00 0.00 C ATOM 433 CD LYS A 32 -23.918 14.606 12.152 1.00 0.00 C ATOM 434 CE LYS A 32 -25.434 14.666 12.248 1.00 0.00 C ATOM 435 NZ LYS A 32 -26.063 13.325 12.132 1.00 0.00 N ATOM 0 H LYS A 32 -21.976 16.188 8.535 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.148 16.125 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.610 13.271 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.485 13.674 11.702 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.917 14.362 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.764 12.861 10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -23.521 14.085 13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.514 15.618 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.717 15.116 13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.820 15.314 11.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -27.076 13.396 12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -25.946 12.969 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.608 12.669 12.799 1.00 0.00 H new ATOM 449 N GLY A 33 -19.232 16.400 10.440 1.00 0.00 N ATOM 450 CA GLY A 33 -17.955 16.748 11.028 1.00 0.00 C ATOM 451 C GLY A 33 -16.930 15.637 10.919 1.00 0.00 C ATOM 452 O GLY A 33 -15.763 15.898 10.628 1.00 0.00 O ATOM 0 H GLY A 33 -19.384 16.768 9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.567 17.642 10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.101 16.998 12.079 1.00 0.00 H new ATOM 456 N LYS A 34 -17.359 14.399 11.142 1.00 0.00 N ATOM 457 CA LYS A 34 -16.443 13.272 11.166 1.00 0.00 C ATOM 458 C LYS A 34 -16.863 12.210 10.161 1.00 0.00 C ATOM 459 O LYS A 34 -16.189 11.989 9.163 1.00 0.00 O ATOM 460 CB LYS A 34 -16.388 12.648 12.567 1.00 0.00 C ATOM 461 CG LYS A 34 -16.128 13.648 13.682 1.00 0.00 C ATOM 462 CD LYS A 34 -15.806 12.949 14.991 1.00 0.00 C ATOM 463 CE LYS A 34 -15.676 13.937 16.137 1.00 0.00 C ATOM 464 NZ LYS A 34 -16.991 14.513 16.528 1.00 0.00 N ATOM 0 H LYS A 34 -18.335 14.154 11.308 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.454 13.645 10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.331 12.138 12.763 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.606 11.889 12.585 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.300 14.299 13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.003 14.284 13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.589 12.227 15.220 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.877 12.389 14.886 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.229 13.438 16.997 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.000 14.741 15.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.883 15.061 17.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.336 15.136 15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.675 13.745 16.682 1.00 0.00 H new ATOM 478 N LEU A 35 -17.995 11.574 10.423 1.00 0.00 N ATOM 479 CA LEU A 35 -18.409 10.414 9.650 1.00 0.00 C ATOM 480 C LEU A 35 -19.017 10.803 8.312 1.00 0.00 C ATOM 481 O LEU A 35 -20.072 11.437 8.254 1.00 0.00 O ATOM 482 CB LEU A 35 -19.419 9.580 10.431 1.00 0.00 C ATOM 483 CG LEU A 35 -18.941 9.073 11.790 1.00 0.00 C ATOM 484 CD1 LEU A 35 -20.062 8.328 12.485 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.724 8.175 11.631 1.00 0.00 C ATOM 0 H LEU A 35 -18.642 11.842 11.164 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.510 9.828 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.318 10.177 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.704 8.722 9.822 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.653 9.929 12.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.714 7.969 13.454 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.910 8.998 12.629 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.370 7.480 11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.400 7.825 12.611 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.982 7.319 11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.917 8.736 11.161 1.00 0.00 H new ATOM 497 N GLY A 36 -18.365 10.390 7.241 1.00 0.00 N ATOM 498 CA GLY A 36 -18.894 10.630 5.915 1.00 0.00 C ATOM 499 C GLY A 36 -17.983 11.489 5.068 1.00 0.00 C ATOM 500 O GLY A 36 -18.374 12.567 4.625 1.00 0.00 O ATOM 0 H GLY A 36 -17.476 9.891 7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.055 9.675 5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.867 11.113 5.999 1.00 0.00 H new ATOM 504 N GLN A 37 -16.765 11.027 4.855 1.00 0.00 N ATOM 505 CA GLN A 37 -15.843 11.720 3.976 1.00 0.00 C ATOM 506 C GLN A 37 -15.810 11.054 2.606 1.00 0.00 C ATOM 507 O GLN A 37 -15.424 9.893 2.465 1.00 0.00 O ATOM 508 CB GLN A 37 -14.429 11.818 4.580 1.00 0.00 C ATOM 509 CG GLN A 37 -13.916 10.569 5.294 1.00 0.00 C ATOM 510 CD GLN A 37 -14.593 10.326 6.632 1.00 0.00 C ATOM 511 OE1 GLN A 37 -15.564 9.571 6.725 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.113 11.002 7.662 1.00 0.00 N ATOM 0 H GLN A 37 -16.392 10.177 5.278 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.207 12.741 3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.731 12.068 3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.414 12.648 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.071 9.702 4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.841 10.662 5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.307 11.615 7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.548 10.910 8.580 1.00 0.00 H new ATOM 521 N TYR A 38 -16.226 11.808 1.602 1.00 0.00 N ATOM 522 CA TYR A 38 -16.321 11.303 0.241 1.00 0.00 C ATOM 523 C TYR A 38 -15.620 12.246 -0.718 1.00 0.00 C ATOM 524 O TYR A 38 -15.475 13.442 -0.438 1.00 0.00 O ATOM 525 CB TYR A 38 -17.785 11.164 -0.184 1.00 0.00 C ATOM 526 CG TYR A 38 -18.595 10.200 0.654 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.435 8.828 0.518 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.534 10.665 1.567 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.185 7.946 1.271 1.00 0.00 C ATOM 530 CE2 TYR A 38 -20.285 9.789 2.327 1.00 0.00 C ATOM 531 CZ TYR A 38 -20.109 8.431 2.173 1.00 0.00 C ATOM 532 OH TYR A 38 -20.865 7.554 2.919 1.00 0.00 O ATOM 0 H TYR A 38 -16.506 12.783 1.706 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.843 10.324 0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.257 12.146 -0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.819 10.838 -1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.713 8.444 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.679 11.729 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.049 6.881 1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -21.006 10.166 3.037 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.466 8.058 3.506 1.00 0.00 H new ATOM 542 N ILE A 39 -15.188 11.707 -1.846 1.00 0.00 N ATOM 543 CA ILE A 39 -14.592 12.515 -2.894 1.00 0.00 C ATOM 544 C ILE A 39 -15.698 13.179 -3.700 1.00 0.00 C ATOM 545 O ILE A 39 -16.503 12.499 -4.331 1.00 0.00 O ATOM 546 CB ILE A 39 -13.717 11.671 -3.845 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.785 10.743 -3.058 1.00 0.00 C ATOM 548 CG2 ILE A 39 -12.912 12.576 -4.765 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.855 11.463 -2.106 1.00 0.00 C ATOM 0 H ILE A 39 -15.240 10.711 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.954 13.261 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.377 11.051 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.389 10.034 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.189 10.163 -3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.300 11.967 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.591 13.189 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.268 13.221 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.230 10.736 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.223 12.152 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.442 12.021 -1.376 1.00 0.00 H new ATOM 561 N ARG A 40 -15.734 14.504 -3.684 1.00 0.00 N ATOM 562 CA ARG A 40 -16.809 15.235 -4.341 1.00 0.00 C ATOM 563 C ARG A 40 -16.506 15.406 -5.821 1.00 0.00 C ATOM 564 O ARG A 40 -17.382 15.233 -6.665 1.00 0.00 O ATOM 565 CB ARG A 40 -17.019 16.611 -3.691 1.00 0.00 C ATOM 566 CG ARG A 40 -18.123 17.431 -4.349 1.00 0.00 C ATOM 567 CD ARG A 40 -18.217 18.834 -3.769 1.00 0.00 C ATOM 568 NE ARG A 40 -19.221 19.641 -4.464 1.00 0.00 N ATOM 569 CZ ARG A 40 -19.164 20.970 -4.592 1.00 0.00 C ATOM 570 NH1 ARG A 40 -18.156 21.651 -4.056 1.00 0.00 N ATOM 571 NH2 ARG A 40 -20.112 21.619 -5.257 1.00 0.00 N ATOM 0 H ARG A 40 -15.037 15.092 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.725 14.656 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.259 16.473 -2.637 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.085 17.171 -3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.937 17.494 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.078 16.921 -4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.468 18.774 -2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.245 19.323 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.017 19.157 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.423 21.159 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.116 22.665 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.888 21.103 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.065 22.633 -5.352 1.00 0.00 H new ATOM 585 N LEU A 41 -15.257 15.729 -6.130 1.00 0.00 N ATOM 586 CA LEU A 41 -14.859 15.981 -7.504 1.00 0.00 C ATOM 587 C LEU A 41 -13.347 15.892 -7.650 1.00 0.00 C ATOM 588 O LEU A 41 -12.605 16.390 -6.798 1.00 0.00 O ATOM 589 CB LEU A 41 -15.341 17.368 -7.943 1.00 0.00 C ATOM 590 CG LEU A 41 -15.184 17.676 -9.432 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.091 16.777 -10.257 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.485 19.142 -9.702 1.00 0.00 C ATOM 0 H LEU A 41 -14.505 15.822 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.316 15.222 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.393 17.469 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.795 18.121 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.152 17.479 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.968 17.008 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.828 15.734 -10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.129 16.943 -9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.369 19.347 -10.766 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.508 19.365 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.794 19.766 -9.135 1.00 0.00 H new ATOM 604 N VAL A 42 -12.899 15.240 -8.716 1.00 0.00 N ATOM 605 CA VAL A 42 -11.485 15.209 -9.058 1.00 0.00 C ATOM 606 C VAL A 42 -11.269 15.928 -10.381 1.00 0.00 C ATOM 607 O VAL A 42 -12.081 15.812 -11.302 1.00 0.00 O ATOM 608 CB VAL A 42 -10.912 13.773 -9.159 1.00 0.00 C ATOM 609 CG1 VAL A 42 -11.039 13.042 -7.836 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.578 12.978 -10.273 1.00 0.00 C ATOM 0 H VAL A 42 -13.498 14.724 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.953 15.709 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.854 13.865 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.629 12.037 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.489 13.584 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.090 12.979 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.149 11.977 -10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.648 12.907 -10.080 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.414 13.480 -11.226 1.00 0.00 H new ATOM 620 N GLU A 43 -10.201 16.695 -10.459 1.00 0.00 N ATOM 621 CA GLU A 43 -9.880 17.427 -11.668 1.00 0.00 C ATOM 622 C GLU A 43 -9.353 16.460 -12.729 1.00 0.00 C ATOM 623 O GLU A 43 -8.543 15.584 -12.431 1.00 0.00 O ATOM 624 CB GLU A 43 -8.842 18.499 -11.342 1.00 0.00 C ATOM 625 CG GLU A 43 -8.738 19.588 -12.388 1.00 0.00 C ATOM 626 CD GLU A 43 -7.889 20.750 -11.926 1.00 0.00 C ATOM 627 OE1 GLU A 43 -8.402 21.596 -11.163 1.00 0.00 O ATOM 628 OE2 GLU A 43 -6.709 20.824 -12.322 1.00 0.00 O ATOM 0 H GLU A 43 -9.537 16.828 -9.696 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.773 17.912 -12.062 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.091 18.952 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.867 18.025 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.313 19.172 -13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.737 19.947 -12.636 1.00 0.00 H new ATOM 635 N PRO A 44 -9.824 16.599 -13.983 1.00 0.00 N ATOM 636 CA PRO A 44 -9.449 15.702 -15.087 1.00 0.00 C ATOM 637 C PRO A 44 -7.947 15.689 -15.345 1.00 0.00 C ATOM 638 O PRO A 44 -7.419 14.754 -15.950 1.00 0.00 O ATOM 639 CB PRO A 44 -10.192 16.280 -16.297 1.00 0.00 C ATOM 640 CG PRO A 44 -10.535 17.674 -15.910 1.00 0.00 C ATOM 641 CD PRO A 44 -10.765 17.638 -14.430 1.00 0.00 C ATOM 0 HA PRO A 44 -9.709 14.667 -14.867 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.567 16.261 -17.190 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.088 15.702 -16.523 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.728 18.361 -16.164 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.425 18.019 -16.436 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.556 18.601 -13.964 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.796 17.383 -14.186 1.00 0.00 H new ATOM 649 N GLY A 45 -7.271 16.738 -14.899 1.00 0.00 N ATOM 650 CA GLY A 45 -5.827 16.793 -15.000 1.00 0.00 C ATOM 651 C GLY A 45 -5.161 16.787 -13.639 1.00 0.00 C ATOM 652 O GLY A 45 -4.335 17.650 -13.341 1.00 0.00 O ATOM 0 H GLY A 45 -7.700 17.556 -14.467 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.472 15.942 -15.581 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.536 17.693 -15.542 1.00 0.00 H new ATOM 656 N SER A 46 -5.525 15.817 -12.809 1.00 0.00 N ATOM 657 CA SER A 46 -4.953 15.706 -11.479 1.00 0.00 C ATOM 658 C SER A 46 -4.438 14.290 -11.235 1.00 0.00 C ATOM 659 O SER A 46 -4.928 13.324 -11.824 1.00 0.00 O ATOM 660 CB SER A 46 -6.000 16.067 -10.419 1.00 0.00 C ATOM 661 OG SER A 46 -7.049 15.115 -10.379 1.00 0.00 O ATOM 0 H SER A 46 -6.213 15.099 -13.036 1.00 0.00 H new ATOM 0 HA SER A 46 -4.117 16.402 -11.406 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.523 16.126 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.411 17.054 -10.633 1.00 0.00 H new ATOM 0 HG SER A 46 -7.638 15.245 -11.151 1.00 0.00 H new ATOM 667 N PRO A 47 -3.420 14.161 -10.370 1.00 0.00 N ATOM 668 CA PRO A 47 -2.863 12.863 -9.966 1.00 0.00 C ATOM 669 C PRO A 47 -3.885 11.955 -9.285 1.00 0.00 C ATOM 670 O PRO A 47 -3.641 10.761 -9.122 1.00 0.00 O ATOM 671 CB PRO A 47 -1.751 13.234 -8.979 1.00 0.00 C ATOM 672 CG PRO A 47 -1.415 14.649 -9.295 1.00 0.00 C ATOM 673 CD PRO A 47 -2.701 15.280 -9.737 1.00 0.00 C ATOM 0 HA PRO A 47 -2.520 12.298 -10.833 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.087 13.129 -7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.883 12.585 -9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.008 15.159 -8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.660 14.707 -10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.258 15.693 -8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.529 16.097 -10.438 1.00 0.00 H new ATOM 681 N ALA A 48 -5.024 12.515 -8.881 1.00 0.00 N ATOM 682 CA ALA A 48 -6.042 11.739 -8.193 1.00 0.00 C ATOM 683 C ALA A 48 -6.631 10.681 -9.117 1.00 0.00 C ATOM 684 O ALA A 48 -6.635 9.492 -8.793 1.00 0.00 O ATOM 685 CB ALA A 48 -7.138 12.655 -7.669 1.00 0.00 C ATOM 0 H ALA A 48 -5.260 13.498 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.575 11.232 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.894 12.061 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.708 13.375 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.598 13.186 -8.503 1.00 0.00 H new ATOM 691 N GLU A 49 -7.079 11.111 -10.291 1.00 0.00 N ATOM 692 CA GLU A 49 -7.702 10.206 -11.245 1.00 0.00 C ATOM 693 C GLU A 49 -6.664 9.264 -11.851 1.00 0.00 C ATOM 694 O GLU A 49 -6.978 8.131 -12.218 1.00 0.00 O ATOM 695 CB GLU A 49 -8.461 10.990 -12.328 1.00 0.00 C ATOM 696 CG GLU A 49 -7.594 11.886 -13.198 1.00 0.00 C ATOM 697 CD GLU A 49 -7.410 11.322 -14.591 1.00 0.00 C ATOM 698 OE1 GLU A 49 -8.426 11.065 -15.269 1.00 0.00 O ATOM 699 OE2 GLU A 49 -6.257 11.139 -15.022 1.00 0.00 O ATOM 0 H GLU A 49 -7.022 12.080 -10.603 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.432 9.594 -10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.983 10.281 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.222 11.603 -11.845 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.048 12.875 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.619 12.014 -12.727 1.00 0.00 H new ATOM 706 N LYS A 50 -5.420 9.732 -11.933 1.00 0.00 N ATOM 707 CA LYS A 50 -4.325 8.920 -12.456 1.00 0.00 C ATOM 708 C LYS A 50 -3.912 7.841 -11.456 1.00 0.00 C ATOM 709 O LYS A 50 -3.277 6.852 -11.818 1.00 0.00 O ATOM 710 CB LYS A 50 -3.118 9.795 -12.795 1.00 0.00 C ATOM 711 CG LYS A 50 -3.387 10.822 -13.883 1.00 0.00 C ATOM 712 CD LYS A 50 -2.112 11.533 -14.319 1.00 0.00 C ATOM 713 CE LYS A 50 -1.500 12.352 -13.192 1.00 0.00 C ATOM 714 NZ LYS A 50 -0.186 12.927 -13.580 1.00 0.00 N ATOM 0 H LYS A 50 -5.146 10.671 -11.643 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.681 8.435 -13.365 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.792 10.313 -11.893 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.294 9.154 -13.110 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.841 10.330 -14.743 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.106 11.556 -13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.387 10.797 -14.666 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.332 12.186 -15.163 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.182 13.156 -12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.376 11.722 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.200 13.478 -12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.472 12.158 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.309 13.548 -14.405 1.00 0.00 H new ATOM 728 N ALA A 51 -4.262 8.040 -10.194 1.00 0.00 N ATOM 729 CA ALA A 51 -3.970 7.056 -9.162 1.00 0.00 C ATOM 730 C ALA A 51 -5.095 6.038 -9.056 1.00 0.00 C ATOM 731 O ALA A 51 -4.934 4.974 -8.456 1.00 0.00 O ATOM 732 CB ALA A 51 -3.753 7.741 -7.823 1.00 0.00 C ATOM 0 H ALA A 51 -4.748 8.872 -9.860 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.056 6.531 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.536 6.992 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.915 8.433 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.653 8.290 -7.545 1.00 0.00 H new ATOM 738 N GLY A 52 -6.231 6.375 -9.651 1.00 0.00 N ATOM 739 CA GLY A 52 -7.390 5.504 -9.596 1.00 0.00 C ATOM 740 C GLY A 52 -8.465 6.036 -8.672 1.00 0.00 C ATOM 741 O GLY A 52 -9.499 5.401 -8.484 1.00 0.00 O ATOM 0 H GLY A 52 -6.372 7.240 -10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.801 5.386 -10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.082 4.514 -9.260 1.00 0.00 H new ATOM 745 N LEU A 53 -8.217 7.207 -8.101 1.00 0.00 N ATOM 746 CA LEU A 53 -9.162 7.848 -7.198 1.00 0.00 C ATOM 747 C LEU A 53 -10.167 8.675 -7.996 1.00 0.00 C ATOM 748 O LEU A 53 -9.787 9.532 -8.796 1.00 0.00 O ATOM 749 CB LEU A 53 -8.393 8.720 -6.194 1.00 0.00 C ATOM 750 CG LEU A 53 -9.217 9.365 -5.076 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.371 9.487 -3.824 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.716 10.739 -5.492 1.00 0.00 C ATOM 0 H LEU A 53 -7.358 7.737 -8.250 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.718 7.091 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.616 8.108 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.889 9.513 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.081 8.731 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.960 9.946 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.045 8.496 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.499 10.106 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.298 11.176 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.865 11.383 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.343 10.645 -6.379 1.00 0.00 H new ATOM 764 N LEU A 54 -11.445 8.411 -7.782 1.00 0.00 N ATOM 765 CA LEU A 54 -12.504 9.054 -8.548 1.00 0.00 C ATOM 766 C LEU A 54 -13.485 9.775 -7.630 1.00 0.00 C ATOM 767 O LEU A 54 -13.500 9.560 -6.418 1.00 0.00 O ATOM 768 CB LEU A 54 -13.248 8.018 -9.396 1.00 0.00 C ATOM 769 CG LEU A 54 -12.404 7.319 -10.465 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.227 6.262 -11.184 1.00 0.00 C ATOM 771 CD2 LEU A 54 -11.852 8.333 -11.461 1.00 0.00 C ATOM 0 H LEU A 54 -11.778 7.751 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.044 9.792 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.664 7.260 -8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.089 8.509 -9.885 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.564 6.829 -9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.612 5.775 -11.941 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.574 5.520 -10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.086 6.733 -11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.255 7.817 -12.213 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.678 8.852 -11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.228 9.056 -10.936 1.00 0.00 H new ATOM 783 N ALA A 55 -14.295 10.643 -8.224 1.00 0.00 N ATOM 784 CA ALA A 55 -15.270 11.421 -7.478 1.00 0.00 C ATOM 785 C ALA A 55 -16.456 10.555 -7.074 1.00 0.00 C ATOM 786 O ALA A 55 -17.448 10.462 -7.798 1.00 0.00 O ATOM 787 CB ALA A 55 -15.734 12.612 -8.302 1.00 0.00 C ATOM 0 H ALA A 55 -14.293 10.825 -9.228 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.795 11.790 -6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.464 13.187 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.879 13.245 -8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.192 12.259 -9.226 1.00 0.00 H new ATOM 793 N GLY A 56 -16.340 9.927 -5.916 1.00 0.00 N ATOM 794 CA GLY A 56 -17.388 9.051 -5.435 1.00 0.00 C ATOM 795 C GLY A 56 -16.844 7.930 -4.574 1.00 0.00 C ATOM 796 O GLY A 56 -17.608 7.174 -3.972 1.00 0.00 O ATOM 0 H GLY A 56 -15.534 10.008 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.109 9.632 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.924 8.628 -6.284 1.00 0.00 H new ATOM 800 N ASP A 57 -15.521 7.818 -4.516 1.00 0.00 N ATOM 801 CA ASP A 57 -14.879 6.795 -3.704 1.00 0.00 C ATOM 802 C ASP A 57 -14.913 7.170 -2.233 1.00 0.00 C ATOM 803 O ASP A 57 -14.933 8.353 -1.876 1.00 0.00 O ATOM 804 CB ASP A 57 -13.423 6.586 -4.133 1.00 0.00 C ATOM 805 CG ASP A 57 -13.298 5.914 -5.482 1.00 0.00 C ATOM 806 OD1 ASP A 57 -13.802 4.781 -5.637 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.686 6.510 -6.390 1.00 0.00 O ATOM 0 H ASP A 57 -14.874 8.423 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.433 5.868 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.917 7.551 -4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.912 5.982 -3.383 1.00 0.00 H new ATOM 812 N ARG A 58 -14.932 6.154 -1.387 1.00 0.00 N ATOM 813 CA ARG A 58 -14.842 6.348 0.052 1.00 0.00 C ATOM 814 C ARG A 58 -13.389 6.388 0.478 1.00 0.00 C ATOM 815 O ARG A 58 -12.620 5.488 0.144 1.00 0.00 O ATOM 816 CB ARG A 58 -15.538 5.213 0.800 1.00 0.00 C ATOM 817 CG ARG A 58 -17.049 5.292 0.805 1.00 0.00 C ATOM 818 CD ARG A 58 -17.653 4.053 1.444 1.00 0.00 C ATOM 819 NE ARG A 58 -16.987 3.694 2.701 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.541 2.930 3.641 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.808 2.549 3.526 1.00 0.00 N ATOM 822 NH2 ARG A 58 -16.838 2.568 4.713 1.00 0.00 N ATOM 0 H ARG A 58 -15.010 5.178 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.332 7.291 0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.239 4.265 0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.185 5.205 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.369 6.180 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.415 5.395 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.713 4.224 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.584 3.217 0.747 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.045 4.050 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.357 2.841 2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.232 1.964 4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.871 2.876 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.267 1.983 5.430 1.00 0.00 H new ATOM 836 N LEU A 59 -13.014 7.423 1.208 1.00 0.00 N ATOM 837 CA LEU A 59 -11.673 7.505 1.749 1.00 0.00 C ATOM 838 C LEU A 59 -11.626 6.771 3.079 1.00 0.00 C ATOM 839 O LEU A 59 -12.097 7.272 4.100 1.00 0.00 O ATOM 840 CB LEU A 59 -11.241 8.963 1.914 1.00 0.00 C ATOM 841 CG LEU A 59 -9.797 9.163 2.375 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.840 8.397 1.475 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.446 10.641 2.381 1.00 0.00 C ATOM 0 H LEU A 59 -13.617 8.213 1.438 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.976 7.034 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.376 9.476 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.905 9.444 2.632 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.701 8.777 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.817 8.551 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.079 7.334 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.937 8.756 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.415 10.769 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.558 11.046 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.113 11.171 3.061 1.00 0.00 H new ATOM 855 N VAL A 60 -11.069 5.570 3.052 1.00 0.00 N ATOM 856 CA VAL A 60 -11.080 4.697 4.216 1.00 0.00 C ATOM 857 C VAL A 60 -9.879 4.968 5.110 1.00 0.00 C ATOM 858 O VAL A 60 -10.026 5.240 6.304 1.00 0.00 O ATOM 859 CB VAL A 60 -11.079 3.212 3.797 1.00 0.00 C ATOM 860 CG1 VAL A 60 -11.080 2.300 5.015 1.00 0.00 C ATOM 861 CG2 VAL A 60 -12.269 2.910 2.898 1.00 0.00 C ATOM 0 H VAL A 60 -10.603 5.177 2.235 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.994 4.908 4.771 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.165 3.020 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.079 1.259 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.191 2.494 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.971 2.493 5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.252 1.858 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.194 3.125 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.215 3.530 2.003 1.00 0.00 H new ATOM 871 N GLU A 61 -8.692 4.909 4.530 1.00 0.00 N ATOM 872 CA GLU A 61 -7.474 5.117 5.294 1.00 0.00 C ATOM 873 C GLU A 61 -6.523 6.053 4.563 1.00 0.00 C ATOM 874 O GLU A 61 -6.533 6.130 3.333 1.00 0.00 O ATOM 875 CB GLU A 61 -6.764 3.784 5.569 1.00 0.00 C ATOM 876 CG GLU A 61 -7.607 2.776 6.332 1.00 0.00 C ATOM 877 CD GLU A 61 -6.793 1.624 6.886 1.00 0.00 C ATOM 878 OE1 GLU A 61 -5.976 1.049 6.142 1.00 0.00 O ATOM 879 OE2 GLU A 61 -6.988 1.272 8.072 1.00 0.00 O ATOM 0 H GLU A 61 -8.546 4.720 3.538 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.760 5.571 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.462 3.343 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.853 3.980 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.115 3.282 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.380 2.383 5.672 1.00 0.00 H new ATOM 886 N VAL A 62 -5.703 6.753 5.331 1.00 0.00 N ATOM 887 CA VAL A 62 -4.673 7.617 4.777 1.00 0.00 C ATOM 888 C VAL A 62 -3.309 7.158 5.270 1.00 0.00 C ATOM 889 O VAL A 62 -3.015 7.236 6.460 1.00 0.00 O ATOM 890 CB VAL A 62 -4.888 9.101 5.167 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.747 9.972 4.658 1.00 0.00 C ATOM 892 CG2 VAL A 62 -6.216 9.612 4.633 1.00 0.00 C ATOM 0 H VAL A 62 -5.732 6.739 6.350 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.729 7.547 3.691 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.904 9.159 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.924 11.008 4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.807 9.630 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.692 9.902 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.346 10.656 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.227 9.529 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.029 9.018 5.050 1.00 0.00 H new ATOM 902 N ASN A 63 -2.501 6.651 4.350 1.00 0.00 N ATOM 903 CA ASN A 63 -1.148 6.177 4.656 1.00 0.00 C ATOM 904 C ASN A 63 -1.159 4.959 5.581 1.00 0.00 C ATOM 905 O ASN A 63 -0.139 4.622 6.180 1.00 0.00 O ATOM 906 CB ASN A 63 -0.298 7.298 5.269 1.00 0.00 C ATOM 907 CG ASN A 63 0.057 8.379 4.267 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.279 8.107 3.091 1.00 0.00 O ATOM 909 ND2 ASN A 63 0.090 9.618 4.717 1.00 0.00 N ATOM 0 H ASN A 63 -2.760 6.554 3.368 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.701 5.871 3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.840 7.745 6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.618 6.872 5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.305 10.386 4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.100 9.808 5.701 1.00 0.00 H new ATOM 916 N GLY A 64 -2.306 4.295 5.692 1.00 0.00 N ATOM 917 CA GLY A 64 -2.371 3.067 6.468 1.00 0.00 C ATOM 918 C GLY A 64 -3.127 3.214 7.774 1.00 0.00 C ATOM 919 O GLY A 64 -3.197 2.271 8.564 1.00 0.00 O ATOM 0 H GLY A 64 -3.186 4.582 5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.847 2.292 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.357 2.727 6.681 1.00 0.00 H new ATOM 923 N GLU A 65 -3.675 4.393 8.026 1.00 0.00 N ATOM 924 CA GLU A 65 -4.487 4.604 9.217 1.00 0.00 C ATOM 925 C GLU A 65 -5.918 4.950 8.826 1.00 0.00 C ATOM 926 O GLU A 65 -6.144 5.752 7.917 1.00 0.00 O ATOM 927 CB GLU A 65 -3.886 5.714 10.082 1.00 0.00 C ATOM 928 CG GLU A 65 -3.727 7.035 9.355 1.00 0.00 C ATOM 929 CD GLU A 65 -3.061 8.096 10.199 1.00 0.00 C ATOM 930 OE1 GLU A 65 -1.814 8.122 10.257 1.00 0.00 O ATOM 931 OE2 GLU A 65 -3.779 8.913 10.805 1.00 0.00 O ATOM 0 H GLU A 65 -3.574 5.213 7.428 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.499 3.682 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.520 5.864 10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.911 5.391 10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.140 6.877 8.450 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.708 7.391 9.041 1.00 0.00 H new ATOM 938 N ASN A 66 -6.876 4.344 9.518 1.00 0.00 N ATOM 939 CA ASN A 66 -8.290 4.549 9.223 1.00 0.00 C ATOM 940 C ASN A 66 -8.701 5.974 9.552 1.00 0.00 C ATOM 941 O ASN A 66 -8.450 6.463 10.655 1.00 0.00 O ATOM 942 CB ASN A 66 -9.151 3.558 10.013 1.00 0.00 C ATOM 943 CG ASN A 66 -10.617 3.591 9.605 1.00 0.00 C ATOM 944 OD1 ASN A 66 -11.415 4.406 10.281 1.00 0.00 O flip ATOM 945 ND2 ASN A 66 -11.035 2.879 8.693 1.00 0.00 N flip ATOM 0 H ASN A 66 -6.698 3.703 10.291 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.446 4.377 8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.761 2.550 9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.070 3.782 11.077 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.394 2.263 8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.022 2.905 8.437 1.00 0.00 H new ATOM 952 N VAL A 67 -9.321 6.643 8.593 1.00 0.00 N ATOM 953 CA VAL A 67 -9.717 8.031 8.777 1.00 0.00 C ATOM 954 C VAL A 67 -11.229 8.208 8.681 1.00 0.00 C ATOM 955 O VAL A 67 -11.726 9.330 8.721 1.00 0.00 O ATOM 956 CB VAL A 67 -9.024 8.961 7.759 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.528 9.029 8.028 1.00 0.00 C ATOM 958 CG2 VAL A 67 -9.293 8.499 6.334 1.00 0.00 C ATOM 0 H VAL A 67 -9.560 6.250 7.683 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.398 8.309 9.781 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.439 9.962 7.875 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.057 9.689 7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.356 9.415 9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.098 8.031 7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.795 9.170 5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.911 7.487 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.366 8.509 6.145 1.00 0.00 H new ATOM 968 N GLU A 68 -11.954 7.099 8.569 1.00 0.00 N ATOM 969 CA GLU A 68 -13.413 7.146 8.463 1.00 0.00 C ATOM 970 C GLU A 68 -14.051 7.815 9.673 1.00 0.00 C ATOM 971 O GLU A 68 -15.044 8.528 9.546 1.00 0.00 O ATOM 972 CB GLU A 68 -14.000 5.744 8.331 1.00 0.00 C ATOM 973 CG GLU A 68 -13.795 5.089 6.980 1.00 0.00 C ATOM 974 CD GLU A 68 -14.577 3.798 6.868 1.00 0.00 C ATOM 975 OE1 GLU A 68 -15.365 3.495 7.796 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.409 3.076 5.866 1.00 0.00 O ATOM 0 H GLU A 68 -11.559 6.159 8.549 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.634 7.731 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.558 5.108 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.069 5.793 8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.106 5.774 6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.734 4.888 6.828 1.00 0.00 H new ATOM 983 N LYS A 69 -13.494 7.577 10.851 1.00 0.00 N ATOM 984 CA LYS A 69 -14.132 8.036 12.075 1.00 0.00 C ATOM 985 C LYS A 69 -13.486 9.325 12.562 1.00 0.00 C ATOM 986 O LYS A 69 -13.843 9.853 13.619 1.00 0.00 O ATOM 987 CB LYS A 69 -14.056 6.970 13.174 1.00 0.00 C ATOM 988 CG LYS A 69 -14.092 5.528 12.670 1.00 0.00 C ATOM 989 CD LYS A 69 -15.305 5.232 11.793 1.00 0.00 C ATOM 990 CE LYS A 69 -15.321 3.771 11.363 1.00 0.00 C ATOM 991 NZ LYS A 69 -16.340 3.491 10.311 1.00 0.00 N ATOM 0 H LYS A 69 -12.615 7.077 10.985 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.182 8.225 11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -13.138 7.119 13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.886 7.120 13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.183 5.324 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.094 4.851 13.524 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.219 5.465 12.339 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.288 5.874 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.335 3.496 10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.520 3.143 12.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.700 2.522 10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.126 4.166 10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.905 3.590 9.371 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.533 9.825 11.785 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.833 11.052 12.126 1.00 0.00 C ATOM 1007 C GLU A 70 -12.613 12.241 11.591 1.00 0.00 C ATOM 1008 O GLU A 70 -13.516 12.074 10.773 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.430 11.051 11.522 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.669 9.754 11.733 1.00 0.00 C ATOM 1011 CD GLU A 70 -9.481 9.402 13.194 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.835 10.188 13.921 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.952 8.327 13.613 1.00 0.00 O ATOM 0 H GLU A 70 -12.228 9.396 10.911 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.748 11.121 13.211 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.506 11.246 10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.858 11.871 11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.202 8.943 11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.692 9.832 11.256 1.00 0.00 H new ATOM 1020 N THR A 71 -12.269 13.439 12.036 1.00 0.00 N ATOM 1021 CA THR A 71 -12.955 14.628 11.569 1.00 0.00 C ATOM 1022 C THR A 71 -12.504 14.976 10.157 1.00 0.00 C ATOM 1023 O THR A 71 -11.412 14.587 9.737 1.00 0.00 O ATOM 1024 CB THR A 71 -12.708 15.840 12.493 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.329 16.225 12.451 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.096 15.515 13.926 1.00 0.00 C ATOM 0 H THR A 71 -11.526 13.611 12.713 1.00 0.00 H new ATOM 0 HA THR A 71 -14.022 14.406 11.577 1.00 0.00 H new ATOM 0 HB THR A 71 -13.326 16.664 12.137 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.186 16.995 13.040 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.913 16.384 14.558 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.153 15.253 13.966 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.500 14.675 14.283 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.333 15.703 9.429 1.00 0.00 N ATOM 1035 CA HIS A 72 -12.987 16.139 8.086 1.00 0.00 C ATOM 1036 C HIS A 72 -11.665 16.908 8.104 1.00 0.00 C ATOM 1037 O HIS A 72 -10.831 16.746 7.212 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.126 16.991 7.513 1.00 0.00 C ATOM 1039 CG HIS A 72 -13.803 17.697 6.225 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.010 17.139 4.981 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.299 18.933 5.999 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.648 18.003 4.049 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.213 19.096 4.641 1.00 0.00 N ATOM 0 H HIS A 72 -14.254 16.005 9.746 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.854 15.270 7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -14.993 16.351 7.352 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.413 17.735 8.256 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.017 19.656 6.750 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.700 17.840 2.983 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.868 19.930 4.165 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.473 17.724 9.135 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.234 18.469 9.302 1.00 0.00 C ATOM 1054 C GLN A 73 -9.056 17.514 9.493 1.00 0.00 C ATOM 1055 O GLN A 73 -8.002 17.691 8.881 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.346 19.421 10.498 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.107 20.271 10.725 1.00 0.00 C ATOM 1058 CD GLN A 73 -8.810 21.215 9.571 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -9.717 21.673 8.870 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -7.536 21.512 9.366 1.00 0.00 N ATOM 0 H GLN A 73 -12.163 17.885 9.869 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.059 19.057 8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.203 20.078 10.348 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.544 18.838 11.397 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.235 20.852 11.638 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.249 19.617 10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.816 21.113 9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.275 22.140 8.606 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.251 16.490 10.321 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.207 15.506 10.585 1.00 0.00 C ATOM 1071 C GLN A 74 -7.793 14.796 9.307 1.00 0.00 C ATOM 1072 O GLN A 74 -6.606 14.676 9.014 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.680 14.460 11.599 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.676 14.948 13.036 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.283 15.250 13.544 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.306 14.623 13.124 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.186 16.217 14.441 1.00 0.00 N ATOM 0 H GLN A 74 -10.124 16.321 10.821 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.353 16.046 10.994 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.690 14.144 11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.041 13.580 11.523 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.289 15.846 13.113 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.135 14.193 13.674 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.024 16.706 14.757 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.273 16.474 14.817 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.782 14.343 8.550 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.530 13.584 7.331 1.00 0.00 C ATOM 1088 C VAL A 75 -7.719 14.404 6.332 1.00 0.00 C ATOM 1089 O VAL A 75 -6.690 13.948 5.830 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.847 13.129 6.664 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.565 12.222 5.479 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.745 12.427 7.670 1.00 0.00 C ATOM 0 H VAL A 75 -9.770 14.488 8.758 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.959 12.702 7.620 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.366 14.016 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.507 11.914 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.966 12.760 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.020 11.341 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.667 12.115 7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.231 11.552 8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.982 13.110 8.486 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.165 15.630 6.082 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.530 16.486 5.086 1.00 0.00 C ATOM 1104 C VAL A 76 -6.104 16.849 5.498 1.00 0.00 C ATOM 1105 O VAL A 76 -5.192 16.877 4.668 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.347 17.776 4.852 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.647 18.694 3.861 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.743 17.433 4.358 1.00 0.00 C ATOM 0 H VAL A 76 -8.963 16.054 6.555 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.494 15.921 4.155 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.428 18.303 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.244 19.594 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.666 18.968 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.529 18.178 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.308 18.351 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.672 16.882 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.252 16.820 5.102 1.00 0.00 H new ATOM 1118 N SER A 77 -5.913 17.102 6.786 1.00 0.00 N ATOM 1119 CA SER A 77 -4.605 17.485 7.302 1.00 0.00 C ATOM 1120 C SER A 77 -3.582 16.372 7.092 1.00 0.00 C ATOM 1121 O SER A 77 -2.430 16.636 6.761 1.00 0.00 O ATOM 1122 CB SER A 77 -4.702 17.835 8.784 1.00 0.00 C ATOM 1123 OG SER A 77 -5.648 18.871 8.992 1.00 0.00 O ATOM 0 H SER A 77 -6.647 17.049 7.493 1.00 0.00 H new ATOM 0 HA SER A 77 -4.270 18.363 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.991 16.952 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.725 18.147 9.154 1.00 0.00 H new ATOM 0 HG SER A 77 -6.554 18.504 8.930 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.017 15.130 7.267 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.142 13.974 7.108 1.00 0.00 C ATOM 1131 C ARG A 78 -2.743 13.790 5.648 1.00 0.00 C ATOM 1132 O ARG A 78 -1.610 13.417 5.350 1.00 0.00 O ATOM 1133 CB ARG A 78 -3.831 12.725 7.653 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.209 12.875 9.117 1.00 0.00 C ATOM 1135 CD ARG A 78 -5.050 11.720 9.629 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.653 12.048 10.918 1.00 0.00 N ATOM 1137 CZ ARG A 78 -6.280 11.177 11.704 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -6.296 9.885 11.396 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -6.848 11.600 12.827 1.00 0.00 N ATOM 0 H ARG A 78 -4.977 14.896 7.521 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.228 14.143 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.727 12.520 7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.170 11.866 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.301 12.951 9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.759 13.806 9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.831 11.485 8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.430 10.829 9.729 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.589 13.014 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.826 9.556 10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.778 9.222 12.003 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.802 12.587 13.082 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.331 10.938 13.435 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.674 14.063 4.742 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.388 14.001 3.314 1.00 0.00 C ATOM 1155 C ILE A 79 -2.387 15.094 2.934 1.00 0.00 C ATOM 1156 O ILE A 79 -1.425 14.849 2.201 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.673 14.170 2.474 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.736 13.163 2.916 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.369 14.002 0.991 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.080 13.374 2.251 1.00 0.00 C ATOM 0 H ILE A 79 -4.632 14.329 4.970 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.964 13.019 3.102 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.059 15.177 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.384 12.155 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.860 13.228 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.286 14.124 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.643 14.754 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.960 13.007 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.786 12.625 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.453 14.369 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.970 13.280 1.171 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.613 16.295 3.458 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.727 17.431 3.205 1.00 0.00 C ATOM 1174 C ARG A 80 -0.383 17.261 3.908 1.00 0.00 C ATOM 1175 O ARG A 80 0.617 17.844 3.495 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.392 18.740 3.640 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.442 19.234 2.657 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.140 20.497 3.145 1.00 0.00 C ATOM 1179 NE ARG A 80 -3.198 21.575 3.459 1.00 0.00 N ATOM 1180 CZ ARG A 80 -3.080 22.700 2.750 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -3.763 22.863 1.626 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -2.256 23.658 3.156 1.00 0.00 N ATOM 0 H ARG A 80 -3.405 16.509 4.063 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.541 17.470 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.856 18.598 4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.626 19.507 3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.971 19.431 1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.183 18.451 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.838 20.840 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.728 20.263 4.032 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.593 21.458 4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.385 22.125 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.666 23.726 1.091 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.712 23.535 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.166 24.517 2.614 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.374 16.466 4.975 1.00 0.00 N ATOM 1197 CA ALA A 81 0.844 16.197 5.740 1.00 0.00 C ATOM 1198 C ALA A 81 1.889 15.479 4.891 1.00 0.00 C ATOM 1199 O ALA A 81 3.078 15.478 5.219 1.00 0.00 O ATOM 1200 CB ALA A 81 0.517 15.366 6.971 1.00 0.00 C ATOM 0 H ALA A 81 -1.203 15.992 5.333 1.00 0.00 H new ATOM 0 HA ALA A 81 1.261 17.155 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.431 15.172 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.187 15.910 7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.072 14.420 6.663 1.00 0.00 H new ATOM 1206 N ALA A 82 1.438 14.851 3.815 1.00 0.00 N ATOM 1207 CA ALA A 82 2.336 14.181 2.892 1.00 0.00 C ATOM 1208 C ALA A 82 3.106 15.207 2.073 1.00 0.00 C ATOM 1209 O ALA A 82 2.533 16.171 1.562 1.00 0.00 O ATOM 1210 CB ALA A 82 1.556 13.250 1.982 1.00 0.00 C ATOM 0 H ALA A 82 0.452 14.793 3.561 1.00 0.00 H new ATOM 0 HA ALA A 82 3.049 13.587 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.242 12.754 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.040 12.501 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.825 13.825 1.413 1.00 0.00 H new ATOM 1216 N LEU A 83 4.413 15.002 1.976 1.00 0.00 N ATOM 1217 CA LEU A 83 5.294 15.936 1.285 1.00 0.00 C ATOM 1218 C LEU A 83 5.101 15.861 -0.224 1.00 0.00 C ATOM 1219 O LEU A 83 5.036 16.886 -0.898 1.00 0.00 O ATOM 1220 CB LEU A 83 6.764 15.670 1.637 1.00 0.00 C ATOM 1221 CG LEU A 83 7.184 16.019 3.071 1.00 0.00 C ATOM 1222 CD1 LEU A 83 6.634 15.013 4.072 1.00 0.00 C ATOM 1223 CD2 LEU A 83 8.698 16.090 3.168 1.00 0.00 C ATOM 0 H LEU A 83 4.890 14.191 2.370 1.00 0.00 H new ATOM 0 HA LEU A 83 5.030 16.939 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.973 14.614 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.391 16.236 0.948 1.00 0.00 H new ATOM 0 HG LEU A 83 6.765 16.994 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.950 15.290 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.545 15.009 4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.012 14.019 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.986 16.338 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 83 9.126 15.125 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.070 16.857 2.489 1.00 0.00 H new ATOM 1235 N ASN A 84 5.013 14.651 -0.755 1.00 0.00 N ATOM 1236 CA ASN A 84 4.822 14.471 -2.191 1.00 0.00 C ATOM 1237 C ASN A 84 3.953 13.253 -2.472 1.00 0.00 C ATOM 1238 O ASN A 84 3.170 13.246 -3.416 1.00 0.00 O ATOM 1239 CB ASN A 84 6.170 14.337 -2.919 1.00 0.00 C ATOM 1240 CG ASN A 84 6.716 12.917 -2.922 1.00 0.00 C ATOM 1241 OD1 ASN A 84 7.375 12.492 -1.976 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.455 12.178 -3.992 1.00 0.00 N ATOM 0 H ASN A 84 5.070 13.784 -0.221 1.00 0.00 H new ATOM 0 HA ASN A 84 4.315 15.358 -2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.054 14.676 -3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.897 14.997 -2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.805 11.222 -4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.904 12.566 -4.758 1.00 0.00 H new ATOM 1249 N ALA A 85 4.093 12.219 -1.652 1.00 0.00 N ATOM 1250 CA ALA A 85 3.334 11.000 -1.851 1.00 0.00 C ATOM 1251 C ALA A 85 2.479 10.694 -0.633 1.00 0.00 C ATOM 1252 O ALA A 85 2.946 10.775 0.503 1.00 0.00 O ATOM 1253 CB ALA A 85 4.271 9.838 -2.145 1.00 0.00 C ATOM 0 H ALA A 85 4.722 12.204 -0.849 1.00 0.00 H new ATOM 0 HA ALA A 85 2.673 11.143 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.688 8.929 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.844 10.052 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.953 9.700 -1.306 1.00 0.00 H new ATOM 1259 N VAL A 86 1.230 10.349 -0.885 1.00 0.00 N ATOM 1260 CA VAL A 86 0.290 10.001 0.168 1.00 0.00 C ATOM 1261 C VAL A 86 -0.525 8.788 -0.268 1.00 0.00 C ATOM 1262 O VAL A 86 -0.923 8.682 -1.430 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.642 11.193 0.500 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.289 11.746 -0.759 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.702 10.800 1.520 1.00 0.00 C ATOM 0 H VAL A 86 0.837 10.302 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 86 0.847 9.758 1.073 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.027 11.978 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.938 12.582 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.515 12.089 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.879 10.965 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.340 11.658 1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.308 9.987 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.218 10.472 2.440 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.734 7.857 0.646 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.441 6.630 0.327 1.00 0.00 C ATOM 1277 C ARG A 87 -2.929 6.802 0.608 1.00 0.00 C ATOM 1278 O ARG A 87 -3.347 6.871 1.763 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.899 5.465 1.161 1.00 0.00 C ATOM 1280 CG ARG A 87 0.596 5.537 1.454 1.00 0.00 C ATOM 1281 CD ARG A 87 1.445 5.549 0.194 1.00 0.00 C ATOM 1282 NE ARG A 87 2.850 5.803 0.509 1.00 0.00 N ATOM 1283 CZ ARG A 87 3.866 5.548 -0.314 1.00 0.00 C ATOM 1284 NH1 ARG A 87 3.648 5.023 -1.511 1.00 0.00 N ATOM 1285 NH2 ARG A 87 5.108 5.824 0.057 1.00 0.00 N ATOM 0 H ARG A 87 -0.424 7.928 1.615 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.290 6.410 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.440 5.429 2.107 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.109 4.532 0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.804 6.435 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.882 4.685 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.351 4.593 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.078 6.315 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 87 3.067 6.203 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.696 4.811 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.432 4.831 -2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.287 6.232 0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.884 5.628 -0.575 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.720 6.864 -0.445 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.159 7.010 -0.312 1.00 0.00 C ATOM 1301 C LEU A 88 -5.828 5.658 -0.493 1.00 0.00 C ATOM 1302 O LEU A 88 -5.809 5.091 -1.587 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.717 8.004 -1.351 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.397 9.491 -1.126 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.931 9.965 0.215 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -3.909 9.752 -1.222 1.00 0.00 C ATOM 0 H LEU A 88 -3.389 6.815 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.371 7.399 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.338 7.719 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.801 7.890 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.893 10.057 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.692 11.020 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.012 9.832 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.473 9.384 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.714 10.812 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.387 9.166 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.553 9.466 -2.212 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.386 5.119 0.577 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.134 3.882 0.470 1.00 0.00 C ATOM 1320 C LEU A 89 -8.584 4.218 0.189 1.00 0.00 C ATOM 1321 O LEU A 89 -9.237 4.918 0.968 1.00 0.00 O ATOM 1322 CB LEU A 89 -7.008 3.039 1.742 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.362 1.548 1.593 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -8.852 1.331 1.375 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -6.561 0.917 0.464 1.00 0.00 C ATOM 0 H LEU A 89 -6.336 5.513 1.517 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.726 3.286 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.984 3.116 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.652 3.472 2.508 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.097 1.059 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.054 0.264 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.406 1.727 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.166 1.846 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.826 -0.137 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.786 1.428 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.496 1.007 0.679 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.085 3.703 -0.916 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.414 4.060 -1.381 1.00 0.00 C ATOM 1339 C VAL A 90 -11.182 2.830 -1.841 1.00 0.00 C ATOM 1340 O VAL A 90 -10.589 1.833 -2.258 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.365 5.093 -2.534 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.864 6.441 -2.039 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.498 4.594 -3.683 1.00 0.00 C ATOM 0 H VAL A 90 -8.593 3.036 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.929 4.512 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.382 5.220 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.840 7.147 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.532 6.815 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.860 6.328 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.482 5.340 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.483 4.424 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.908 3.661 -4.069 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.497 2.904 -1.739 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.367 1.826 -2.176 1.00 0.00 C ATOM 1355 C VAL A 91 -14.704 2.390 -2.658 1.00 0.00 C ATOM 1356 O VAL A 91 -15.207 3.375 -2.105 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.597 0.796 -1.040 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.319 1.427 0.142 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.357 -0.420 -1.549 1.00 0.00 C ATOM 0 H VAL A 91 -12.990 3.709 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.879 1.311 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.618 0.464 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.465 0.679 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.722 2.249 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.288 1.805 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.504 -1.126 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.326 -0.107 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.786 -0.900 -2.344 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.257 1.788 -3.707 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.581 2.159 -4.193 1.00 0.00 C ATOM 1371 C ASP A 92 -17.621 1.834 -3.134 1.00 0.00 C ATOM 1372 O ASP A 92 -17.555 0.773 -2.520 1.00 0.00 O ATOM 1373 CB ASP A 92 -16.935 1.397 -5.473 1.00 0.00 C ATOM 1374 CG ASP A 92 -15.900 1.545 -6.566 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -14.919 0.770 -6.565 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.073 2.420 -7.441 1.00 0.00 O ATOM 0 H ASP A 92 -14.808 1.041 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.572 3.228 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.054 0.340 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -17.897 1.751 -5.843 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.595 2.725 -2.907 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.631 2.518 -1.887 1.00 0.00 C ATOM 1383 C PRO A 93 -20.330 1.165 -2.025 1.00 0.00 C ATOM 1384 O PRO A 93 -20.562 0.473 -1.035 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.613 3.663 -2.141 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.798 4.726 -2.793 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.757 4.011 -3.611 1.00 0.00 C ATOM 0 HA PRO A 93 -19.214 2.513 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.434 3.345 -2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -21.055 4.019 -1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.420 5.362 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.333 5.372 -2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.084 3.867 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.822 4.569 -3.648 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.632 0.783 -3.259 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.298 -0.487 -3.523 1.00 0.00 C ATOM 1397 C GLU A 94 -20.342 -1.655 -3.307 1.00 0.00 C ATOM 1398 O GLU A 94 -20.708 -2.670 -2.715 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.838 -0.520 -4.951 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.718 0.666 -5.308 1.00 0.00 C ATOM 1401 CD GLU A 94 -23.428 0.475 -6.628 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -22.747 0.376 -7.670 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -24.675 0.390 -6.629 1.00 0.00 O ATOM 0 H GLU A 94 -20.427 1.334 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.130 -0.582 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.998 -0.558 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.409 -1.438 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.455 0.819 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.108 1.568 -5.353 1.00 0.00 H new ATOM 1410 N THR A 95 -19.116 -1.496 -3.789 1.00 0.00 N ATOM 1411 CA THR A 95 -18.094 -2.521 -3.650 1.00 0.00 C ATOM 1412 C THR A 95 -17.769 -2.762 -2.176 1.00 0.00 C ATOM 1413 O THR A 95 -17.528 -3.893 -1.756 1.00 0.00 O ATOM 1414 CB THR A 95 -16.816 -2.111 -4.404 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.147 -1.739 -5.748 1.00 0.00 O ATOM 1416 CG2 THR A 95 -15.801 -3.240 -4.430 1.00 0.00 C ATOM 0 H THR A 95 -18.805 -0.659 -4.283 1.00 0.00 H new ATOM 0 HA THR A 95 -18.480 -3.445 -4.080 1.00 0.00 H new ATOM 0 HB THR A 95 -16.373 -1.264 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.350 -1.386 -6.196 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.911 -2.917 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.529 -3.508 -3.409 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.234 -4.107 -4.930 1.00 0.00 H new ATOM 1424 N ASP A 96 -17.817 -1.689 -1.396 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.522 -1.738 0.033 1.00 0.00 C ATOM 1426 C ASP A 96 -18.452 -2.702 0.752 1.00 0.00 C ATOM 1427 O ASP A 96 -18.021 -3.469 1.605 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.655 -0.334 0.636 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.845 -0.344 2.142 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.840 -0.410 2.874 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -19.009 -0.265 2.597 1.00 0.00 O ATOM 0 H ASP A 96 -18.062 -0.759 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.500 -2.095 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.764 0.244 0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.501 0.174 0.173 1.00 0.00 H new ATOM 1436 N GLU A 97 -19.719 -2.684 0.369 1.00 0.00 N ATOM 1437 CA GLU A 97 -20.726 -3.516 1.014 1.00 0.00 C ATOM 1438 C GLU A 97 -20.384 -4.997 0.863 1.00 0.00 C ATOM 1439 O GLU A 97 -20.589 -5.791 1.781 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.106 -3.217 0.428 1.00 0.00 C ATOM 1441 CG GLU A 97 -22.548 -1.779 0.651 1.00 0.00 C ATOM 1442 CD GLU A 97 -23.957 -1.515 0.174 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -24.903 -1.720 0.964 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -24.129 -1.101 -0.994 1.00 0.00 O ATOM 0 H GLU A 97 -20.077 -2.101 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 97 -20.740 -3.282 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.093 -3.425 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.838 -3.890 0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -22.480 -1.544 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -21.863 -1.109 0.132 1.00 0.00 H new ATOM 1451 N GLN A 98 -19.844 -5.352 -0.297 1.00 0.00 N ATOM 1452 CA GLN A 98 -19.401 -6.715 -0.551 1.00 0.00 C ATOM 1453 C GLN A 98 -18.146 -7.023 0.262 1.00 0.00 C ATOM 1454 O GLN A 98 -17.993 -8.118 0.803 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.134 -6.907 -2.048 1.00 0.00 C ATOM 1456 CG GLN A 98 -18.706 -8.317 -2.429 1.00 0.00 C ATOM 1457 CD GLN A 98 -19.734 -9.370 -2.056 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -20.641 -9.678 -2.832 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -19.595 -9.938 -0.868 1.00 0.00 N ATOM 0 H GLN A 98 -19.703 -4.711 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 98 -20.186 -7.406 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.037 -6.651 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.359 -6.207 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -18.525 -8.358 -3.503 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.761 -8.549 -1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.831 -9.656 -0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -20.252 -10.658 -0.567 1.00 0.00 H new ATOM 1468 N LEU A 99 -17.259 -6.040 0.350 1.00 0.00 N ATOM 1469 CA LEU A 99 -15.994 -6.193 1.064 1.00 0.00 C ATOM 1470 C LEU A 99 -16.222 -6.359 2.564 1.00 0.00 C ATOM 1471 O LEU A 99 -15.595 -7.199 3.212 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.092 -4.992 0.808 1.00 0.00 C ATOM 1473 CG LEU A 99 -14.839 -4.679 -0.664 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -13.565 -3.887 -0.803 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -14.773 -5.948 -1.495 1.00 0.00 C ATOM 0 H LEU A 99 -17.393 -5.119 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.508 -7.094 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -15.537 -4.115 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.134 -5.165 1.297 1.00 0.00 H new ATOM 0 HG LEU A 99 -15.673 -4.085 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.387 -3.665 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.654 -2.955 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.731 -4.467 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.592 -5.691 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.963 -6.580 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -15.717 -6.486 -1.413 1.00 0.00 H new ATOM 1487 N GLN A 100 -17.123 -5.549 3.104 1.00 0.00 N ATOM 1488 CA GLN A 100 -17.484 -5.606 4.518 1.00 0.00 C ATOM 1489 C GLN A 100 -18.119 -6.952 4.849 1.00 0.00 C ATOM 1490 O GLN A 100 -17.956 -7.474 5.953 1.00 0.00 O ATOM 1491 CB GLN A 100 -18.435 -4.458 4.862 1.00 0.00 C ATOM 1492 CG GLN A 100 -17.858 -3.088 4.531 1.00 0.00 C ATOM 1493 CD GLN A 100 -16.855 -2.583 5.552 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -16.250 -3.357 6.295 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -16.621 -1.282 5.544 1.00 0.00 N ATOM 0 H GLN A 100 -17.625 -4.834 2.577 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.581 -5.499 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -19.370 -4.593 4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.675 -4.498 5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.377 -3.133 3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.674 -2.370 4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.143 -0.674 4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.918 -0.886 6.168 1.00 0.00 H new ATOM 1504 N LYS A 101 -18.855 -7.499 3.882 1.00 0.00 N ATOM 1505 CA LYS A 101 -19.445 -8.819 4.009 1.00 0.00 C ATOM 1506 C LYS A 101 -18.361 -9.873 4.203 1.00 0.00 C ATOM 1507 O LYS A 101 -18.559 -10.860 4.911 1.00 0.00 O ATOM 1508 CB LYS A 101 -20.252 -9.129 2.752 1.00 0.00 C ATOM 1509 CG LYS A 101 -21.673 -9.570 3.027 1.00 0.00 C ATOM 1510 CD LYS A 101 -21.733 -10.972 3.617 1.00 0.00 C ATOM 1511 CE LYS A 101 -21.089 -11.995 2.692 1.00 0.00 C ATOM 1512 NZ LYS A 101 -21.245 -13.385 3.200 1.00 0.00 N ATOM 0 H LYS A 101 -19.055 -7.037 2.995 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.099 -8.835 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.274 -8.242 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -19.742 -9.911 2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.144 -8.867 3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.247 -9.542 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -21.227 -10.984 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.772 -11.247 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -21.536 -11.919 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -20.029 -11.767 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -20.792 -14.049 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -20.796 -13.466 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -22.256 -13.613 3.281 1.00 0.00 H new ATOM 1526 N LEU A 102 -17.216 -9.660 3.565 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.081 -10.556 3.713 1.00 0.00 C ATOM 1528 C LEU A 102 -15.466 -10.361 5.093 1.00 0.00 C ATOM 1529 O LEU A 102 -15.345 -11.299 5.879 1.00 0.00 O ATOM 1530 CB LEU A 102 -15.034 -10.296 2.626 1.00 0.00 C ATOM 1531 CG LEU A 102 -15.586 -10.150 1.203 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -14.459 -9.905 0.211 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -16.393 -11.377 0.805 1.00 0.00 C ATOM 0 H LEU A 102 -17.051 -8.872 2.939 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.426 -11.585 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.488 -9.388 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -14.314 -11.114 2.636 1.00 0.00 H new ATOM 0 HG LEU A 102 -16.251 -9.287 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.873 -9.804 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.931 -8.990 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.765 -10.745 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.774 -11.249 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.755 -12.260 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -17.229 -11.502 1.494 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.112 -9.104 5.370 1.00 0.00 N ATOM 1546 CA GLY A 103 -14.741 -8.676 6.709 1.00 0.00 C ATOM 1547 C GLY A 103 -13.561 -9.413 7.309 1.00 0.00 C ATOM 1548 O GLY A 103 -13.406 -9.426 8.529 1.00 0.00 O ATOM 0 H GLY A 103 -15.076 -8.361 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.511 -7.611 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.601 -8.801 7.366 1.00 0.00 H new ATOM 1552 N VAL A 104 -12.728 -10.017 6.474 1.00 0.00 N ATOM 1553 CA VAL A 104 -11.569 -10.738 6.970 1.00 0.00 C ATOM 1554 C VAL A 104 -10.303 -10.371 6.189 1.00 0.00 C ATOM 1555 O VAL A 104 -10.082 -10.840 5.071 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.800 -12.272 6.948 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -12.228 -12.759 5.570 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -10.556 -13.011 7.421 1.00 0.00 C ATOM 0 H VAL A 104 -12.833 -10.022 5.459 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.424 -10.435 8.007 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.615 -12.490 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.380 -13.838 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.158 -12.269 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.453 -12.519 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.740 -14.085 7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.719 -12.772 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.317 -12.706 8.440 1.00 0.00 H new ATOM 1568 N GLN A 105 -9.494 -9.494 6.783 1.00 0.00 N ATOM 1569 CA GLN A 105 -8.188 -9.118 6.233 1.00 0.00 C ATOM 1570 C GLN A 105 -8.316 -8.485 4.848 1.00 0.00 C ATOM 1571 O GLN A 105 -7.384 -8.525 4.051 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.267 -10.342 6.166 1.00 0.00 C ATOM 1573 CG GLN A 105 -7.036 -11.002 7.514 1.00 0.00 C ATOM 1574 CD GLN A 105 -6.197 -12.263 7.417 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -6.302 -12.967 6.298 1.00 0.00 O flip ATOM 1576 NE2 GLN A 105 -5.468 -12.609 8.344 1.00 0.00 N flip ATOM 0 H GLN A 105 -9.724 -9.023 7.658 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.754 -8.374 6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.697 -11.073 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.306 -10.041 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.543 -10.294 8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.999 -11.246 7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.414 -12.041 9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.917 -13.464 8.268 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.463 -7.891 4.575 1.00 0.00 N ATOM 1586 CA VAL A 106 -9.761 -7.372 3.248 1.00 0.00 C ATOM 1587 C VAL A 106 -9.171 -5.984 3.020 1.00 0.00 C ATOM 1588 O VAL A 106 -8.808 -5.642 1.896 1.00 0.00 O ATOM 1589 CB VAL A 106 -11.289 -7.341 3.001 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -11.624 -6.749 1.640 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -11.857 -8.741 3.115 1.00 0.00 C ATOM 0 H VAL A 106 -10.209 -7.754 5.257 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.293 -8.051 2.535 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.740 -6.702 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.705 -6.743 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.246 -5.728 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.161 -7.351 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.933 -8.713 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.386 -9.386 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.662 -9.133 4.113 1.00 0.00 H new ATOM 1601 N ARG A 107 -9.034 -5.207 4.086 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.742 -3.783 3.954 1.00 0.00 C ATOM 1603 C ARG A 107 -7.393 -3.528 3.283 1.00 0.00 C ATOM 1604 O ARG A 107 -7.300 -2.715 2.364 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.774 -3.114 5.324 1.00 0.00 C ATOM 1606 CG ARG A 107 -8.728 -1.599 5.256 1.00 0.00 C ATOM 1607 CD ARG A 107 -8.656 -0.986 6.641 1.00 0.00 C ATOM 1608 NE ARG A 107 -9.789 -1.365 7.484 1.00 0.00 N ATOM 1609 CZ ARG A 107 -9.960 -0.930 8.731 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -9.120 -0.041 9.250 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -10.983 -1.367 9.454 1.00 0.00 N ATOM 0 H ARG A 107 -9.120 -5.535 5.048 1.00 0.00 H new ATOM 0 HA ARG A 107 -9.512 -3.352 3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -9.680 -3.419 5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -7.929 -3.470 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.863 -1.285 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.613 -1.229 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.729 -1.296 7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.621 0.100 6.552 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.488 -1.998 7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.341 0.310 8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.254 0.290 10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.640 -2.037 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.112 -1.033 10.409 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.357 -4.226 3.724 1.00 0.00 N ATOM 1626 CA GLU A 108 -5.041 -4.086 3.112 1.00 0.00 C ATOM 1627 C GLU A 108 -4.291 -5.409 3.147 1.00 0.00 C ATOM 1628 O GLU A 108 -3.426 -5.671 2.313 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.222 -3.012 3.832 1.00 0.00 C ATOM 1630 CG GLU A 108 -2.928 -2.655 3.116 1.00 0.00 C ATOM 1631 CD GLU A 108 -1.996 -1.824 3.972 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -2.292 -0.637 4.210 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -0.960 -2.362 4.422 1.00 0.00 O ATOM 0 H GLU A 108 -6.399 -4.890 4.497 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.184 -3.786 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.829 -2.113 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.988 -3.359 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.419 -3.571 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.162 -2.107 2.203 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.633 -6.240 4.119 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.992 -7.532 4.302 1.00 0.00 C ATOM 1642 C GLU A 109 -4.152 -8.408 3.054 1.00 0.00 C ATOM 1643 O GLU A 109 -3.283 -9.217 2.737 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.569 -8.249 5.533 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.594 -7.403 6.807 1.00 0.00 C ATOM 1646 CD GLU A 109 -5.792 -6.467 6.883 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -5.728 -5.357 6.310 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -6.802 -6.840 7.507 1.00 0.00 O ATOM 0 H GLU A 109 -5.362 -6.038 4.803 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.928 -7.360 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.585 -8.572 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.983 -9.149 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.602 -8.064 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.678 -6.815 6.863 1.00 0.00 H new ATOM 1655 N LEU A 110 -5.275 -8.251 2.360 1.00 0.00 N ATOM 1656 CA LEU A 110 -5.496 -8.940 1.094 1.00 0.00 C ATOM 1657 C LEU A 110 -4.792 -8.227 -0.048 1.00 0.00 C ATOM 1658 O LEU A 110 -4.294 -8.866 -0.974 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.987 -9.067 0.785 1.00 0.00 C ATOM 1660 CG LEU A 110 -7.703 -10.198 1.515 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -9.161 -10.246 1.095 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -7.015 -11.529 1.238 1.00 0.00 C ATOM 0 H LEU A 110 -6.047 -7.652 2.654 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.075 -9.941 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.476 -8.126 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.109 -9.213 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.658 -10.011 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.665 -11.057 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.642 -9.299 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.225 -10.416 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.538 -12.326 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.032 -11.731 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.982 -11.483 1.582 1.00 0.00 H new ATOM 1850 N THR B 3 -13.111 20.889 0.606 1.00 0.00 N ATOM 1851 CA THR B 3 -11.690 21.162 0.678 1.00 0.00 C ATOM 1852 C THR B 3 -10.962 20.555 -0.514 1.00 0.00 C ATOM 1853 O THR B 3 -10.988 19.337 -0.713 1.00 0.00 O ATOM 1854 CB THR B 3 -11.084 20.617 1.985 1.00 0.00 C ATOM 1855 OG1 THR B 3 -11.960 20.907 3.086 1.00 0.00 O ATOM 1856 CG2 THR B 3 -9.725 21.245 2.245 1.00 0.00 C ATOM 0 HA THR B 3 -11.564 22.245 0.659 1.00 0.00 H new ATOM 0 HB THR B 3 -10.963 19.538 1.886 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.857 21.106 2.746 1.00 0.00 H new ATOM 0 HG21 THR B 3 -9.312 20.848 3.172 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.053 21.012 1.419 1.00 0.00 H new ATOM 0 HG23 THR B 3 -9.834 22.326 2.330 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.351 21.407 -1.325 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.522 20.946 -2.425 1.00 0.00 C ATOM 1866 C ARG B 4 -8.139 20.604 -1.909 1.00 0.00 C ATOM 1867 O ARG B 4 -7.522 21.395 -1.194 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.400 22.010 -3.518 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.631 21.524 -4.738 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.304 22.658 -5.697 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.310 23.573 -5.139 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.871 24.668 -5.758 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -7.281 24.952 -6.988 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.996 25.461 -5.151 1.00 0.00 N ATOM 0 H ARG B 4 -10.415 22.421 -1.240 1.00 0.00 H new ATOM 0 HA ARG B 4 -9.995 20.063 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.398 22.323 -3.825 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -8.902 22.889 -3.108 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.707 21.044 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.218 20.768 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -7.932 22.245 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -9.214 23.210 -5.931 1.00 0.00 H new ATOM 0 HE ARG B 4 -6.928 23.360 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.935 24.331 -7.464 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -6.942 25.792 -7.457 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -5.663 25.231 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -5.657 26.300 -5.621 1.00 0.00 H new ATOM 1888 N LEU B 5 -7.667 19.425 -2.257 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.326 19.012 -1.902 1.00 0.00 C ATOM 1890 C LEU B 5 -5.344 19.516 -2.945 1.00 0.00 C ATOM 1891 O LEU B 5 -4.620 20.490 -2.657 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.235 17.488 -1.772 1.00 0.00 C ATOM 1893 CG LEU B 5 -6.778 16.894 -0.467 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.067 17.502 0.728 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.284 17.088 -0.357 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.330 18.963 -4.064 1.00 0.00 O ATOM 0 H LEU B 5 -8.196 18.733 -2.788 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.074 19.443 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.775 17.039 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.190 17.196 -1.875 1.00 0.00 H new ATOM 0 HG LEU B 5 -6.583 15.822 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.464 17.070 1.646 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -4.999 17.293 0.661 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.226 18.580 0.736 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -8.639 16.656 0.579 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.516 18.153 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -8.777 16.594 -1.194 1.00 0.00 H new