USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=15 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 37 GLN : amide:sc= 1.21 K(o=1.9,f=-1.2) USER MOD Set 1.2: A 72 HIS : no HE2:sc= 0.644 K(o=1.9,f=-7.8!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.23) USER MOD Set 2.2: A 24 TYR OH : rot -155:sc= 0.126 USER MOD Single : A 15 CYS SG : rot -81:sc= 0.683 USER MOD Single : A 16 CYS SG : rot 180:sc= -2.06! USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.575 X(o=-0.58,f=-0.86) USER MOD Single : A 29 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-3.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= -0.0654 (180deg=-0.365) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -70:sc= 1.23 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 66 ASN :FLIP amide:sc= 0.0759 F(o=-0.67,f=0.076) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.14! USER MOD Single : A 73 GLN :FLIP amide:sc= -0.153 F(o=-3.7!,f=-0.15) USER MOD Single : A 74 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.54) USER MOD Single : A 77 SER OG : rot 73:sc= 1.22 USER MOD Single : A 84 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 98 GLN : amide:sc= 0.353 X(o=0.35,f=-0.014) USER MOD Single : A 100 GLN : amide:sc= 1.3 K(o=1.3,f=-0.63) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -11.234 -5.969 -2.960 1.00 0.00 N ATOM 107 CA LEU A 11 -9.842 -5.695 -3.303 1.00 0.00 C ATOM 108 C LEU A 11 -9.633 -4.187 -3.513 1.00 0.00 C ATOM 109 O LEU A 11 -9.337 -3.722 -4.613 1.00 0.00 O ATOM 110 CB LEU A 11 -9.410 -6.513 -4.542 1.00 0.00 C ATOM 111 CG LEU A 11 -10.030 -6.124 -5.898 1.00 0.00 C ATOM 112 CD1 LEU A 11 -9.617 -7.119 -6.967 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.541 -6.043 -5.818 1.00 0.00 C ATOM 0 HA LEU A 11 -9.207 -6.007 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.326 -6.440 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.644 -7.561 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.656 -5.135 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.061 -6.834 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.531 -7.124 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.962 -8.115 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.943 -5.766 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.942 -7.012 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.827 -5.292 -5.081 1.00 0.00 H new ATOM 125 N PRO A 12 -9.831 -3.402 -2.436 1.00 0.00 N ATOM 126 CA PRO A 12 -9.651 -1.946 -2.448 1.00 0.00 C ATOM 127 C PRO A 12 -8.306 -1.522 -3.024 1.00 0.00 C ATOM 128 O PRO A 12 -7.289 -2.192 -2.837 1.00 0.00 O ATOM 129 CB PRO A 12 -9.740 -1.559 -0.971 1.00 0.00 C ATOM 130 CG PRO A 12 -10.555 -2.634 -0.344 1.00 0.00 C ATOM 131 CD PRO A 12 -10.268 -3.889 -1.124 1.00 0.00 C ATOM 0 HA PRO A 12 -10.394 -1.458 -3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.750 -1.498 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.209 -0.583 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.291 -2.760 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.616 -2.388 -0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.495 -4.489 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.154 -4.518 -1.207 1.00 0.00 H new ATOM 139 N ARG A 13 -8.312 -0.390 -3.705 1.00 0.00 N ATOM 140 CA ARG A 13 -7.131 0.098 -4.392 1.00 0.00 C ATOM 141 C ARG A 13 -6.384 1.110 -3.538 1.00 0.00 C ATOM 142 O ARG A 13 -6.979 2.042 -2.995 1.00 0.00 O ATOM 143 CB ARG A 13 -7.536 0.727 -5.729 1.00 0.00 C ATOM 144 CG ARG A 13 -8.651 1.759 -5.600 1.00 0.00 C ATOM 145 CD ARG A 13 -9.238 2.132 -6.952 1.00 0.00 C ATOM 146 NE ARG A 13 -10.458 2.923 -6.809 1.00 0.00 N ATOM 147 CZ ARG A 13 -11.689 2.415 -6.894 1.00 0.00 C ATOM 148 NH1 ARG A 13 -11.866 1.123 -7.157 1.00 0.00 N ATOM 149 NH2 ARG A 13 -12.743 3.199 -6.726 1.00 0.00 N ATOM 0 H ARG A 13 -9.130 0.213 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.463 -0.743 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.663 1.200 -6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.857 -0.061 -6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.439 1.364 -4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.263 2.654 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.503 2.697 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.455 1.226 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.363 3.923 -6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.058 0.515 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.809 0.740 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.614 4.192 -6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.684 2.810 -6.791 1.00 0.00 H new ATOM 163 N LEU A 14 -5.083 0.903 -3.393 1.00 0.00 N ATOM 164 CA LEU A 14 -4.232 1.881 -2.743 1.00 0.00 C ATOM 165 C LEU A 14 -3.708 2.844 -3.791 1.00 0.00 C ATOM 166 O LEU A 14 -2.901 2.468 -4.642 1.00 0.00 O ATOM 167 CB LEU A 14 -3.064 1.205 -2.020 1.00 0.00 C ATOM 168 CG LEU A 14 -2.142 2.152 -1.244 1.00 0.00 C ATOM 169 CD1 LEU A 14 -2.888 2.797 -0.088 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.911 1.410 -0.742 1.00 0.00 C ATOM 0 H LEU A 14 -4.597 0.067 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.816 2.419 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.465 0.465 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.468 0.663 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.813 2.941 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.216 3.466 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.734 3.366 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.249 2.023 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.269 2.099 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.219 0.599 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.362 1.000 -1.590 1.00 0.00 H new ATOM 182 N CYS A 15 -4.190 4.070 -3.739 1.00 0.00 N ATOM 183 CA CYS A 15 -3.850 5.066 -4.735 1.00 0.00 C ATOM 184 C CYS A 15 -2.812 6.032 -4.191 1.00 0.00 C ATOM 185 O CYS A 15 -3.049 6.720 -3.200 1.00 0.00 O ATOM 186 CB CYS A 15 -5.108 5.827 -5.154 1.00 0.00 C ATOM 187 SG CYS A 15 -6.407 4.773 -5.836 1.00 0.00 S ATOM 0 H CYS A 15 -4.823 4.402 -3.011 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.428 4.563 -5.605 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.503 6.361 -4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.836 6.578 -5.896 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.149 4.520 -7.085 1.00 0.00 H new ATOM 193 N CYS A 16 -1.656 6.072 -4.828 1.00 0.00 N ATOM 194 CA CYS A 16 -0.614 6.998 -4.429 1.00 0.00 C ATOM 195 C CYS A 16 -0.729 8.279 -5.243 1.00 0.00 C ATOM 196 O CYS A 16 -0.408 8.306 -6.433 1.00 0.00 O ATOM 197 CB CYS A 16 0.764 6.367 -4.619 1.00 0.00 C ATOM 198 SG CYS A 16 0.893 4.691 -3.952 1.00 0.00 S ATOM 0 H CYS A 16 -1.416 5.476 -5.621 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.736 7.236 -3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.000 6.345 -5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.512 6.998 -4.140 1.00 0.00 H new ATOM 0 HG CYS A 16 2.092 4.233 -4.158 1.00 0.00 H new ATOM 204 N LEU A 17 -1.195 9.329 -4.594 1.00 0.00 N ATOM 205 CA LEU A 17 -1.382 10.614 -5.242 1.00 0.00 C ATOM 206 C LEU A 17 -0.110 11.440 -5.126 1.00 0.00 C ATOM 207 O LEU A 17 0.532 11.465 -4.076 1.00 0.00 O ATOM 208 CB LEU A 17 -2.570 11.370 -4.626 1.00 0.00 C ATOM 209 CG LEU A 17 -3.965 10.824 -4.971 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.226 9.485 -4.298 1.00 0.00 C ATOM 211 CD2 LEU A 17 -5.037 11.829 -4.585 1.00 0.00 C ATOM 0 H LEU A 17 -1.454 9.316 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.601 10.443 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.457 11.364 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.519 12.411 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.000 10.664 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.222 9.131 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.482 8.760 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.161 9.603 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.019 11.428 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.986 12.021 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.876 12.760 -5.129 1.00 0.00 H new ATOM 223 N GLU A 18 0.255 12.098 -6.212 1.00 0.00 N ATOM 224 CA GLU A 18 1.491 12.859 -6.265 1.00 0.00 C ATOM 225 C GLU A 18 1.198 14.356 -6.282 1.00 0.00 C ATOM 226 O GLU A 18 0.296 14.813 -6.984 1.00 0.00 O ATOM 227 CB GLU A 18 2.289 12.457 -7.508 1.00 0.00 C ATOM 228 CG GLU A 18 3.686 13.050 -7.564 1.00 0.00 C ATOM 229 CD GLU A 18 4.456 12.592 -8.782 1.00 0.00 C ATOM 230 OE1 GLU A 18 4.820 11.399 -8.844 1.00 0.00 O ATOM 231 OE2 GLU A 18 4.703 13.425 -9.683 1.00 0.00 O ATOM 0 H GLU A 18 -0.290 12.121 -7.074 1.00 0.00 H new ATOM 0 HA GLU A 18 2.081 12.639 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.365 11.370 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.738 12.766 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.617 14.138 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.234 12.770 -6.664 1.00 0.00 H new ATOM 238 N LYS A 19 1.952 15.097 -5.484 1.00 0.00 N ATOM 239 CA LYS A 19 1.821 16.545 -5.391 1.00 0.00 C ATOM 240 C LYS A 19 2.051 17.193 -6.751 1.00 0.00 C ATOM 241 O LYS A 19 3.187 17.340 -7.201 1.00 0.00 O ATOM 242 CB LYS A 19 2.820 17.079 -4.354 1.00 0.00 C ATOM 243 CG LYS A 19 2.716 18.572 -4.070 1.00 0.00 C ATOM 244 CD LYS A 19 1.336 18.972 -3.562 1.00 0.00 C ATOM 245 CE LYS A 19 0.870 18.101 -2.405 1.00 0.00 C ATOM 246 NZ LYS A 19 1.780 18.153 -1.224 1.00 0.00 N ATOM 0 H LYS A 19 2.676 14.709 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 19 0.809 16.796 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.676 16.536 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.831 16.859 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.467 18.852 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.941 19.129 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.357 20.014 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.617 18.903 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.128 18.417 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.787 17.069 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.417 17.526 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.732 17.841 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.827 19.128 -0.865 1.00 0.00 H new ATOM 260 N GLY A 20 0.959 17.557 -7.402 1.00 0.00 N ATOM 261 CA GLY A 20 1.035 18.143 -8.722 1.00 0.00 C ATOM 262 C GLY A 20 1.225 19.644 -8.680 1.00 0.00 C ATOM 263 O GLY A 20 2.140 20.132 -8.015 1.00 0.00 O ATOM 0 H GLY A 20 0.013 17.456 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.862 17.691 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.123 17.911 -9.272 1.00 0.00 H new ATOM 267 N PRO A 21 0.362 20.405 -9.375 1.00 0.00 N ATOM 268 CA PRO A 21 0.456 21.866 -9.432 1.00 0.00 C ATOM 269 C PRO A 21 0.414 22.508 -8.048 1.00 0.00 C ATOM 270 O PRO A 21 1.349 23.201 -7.650 1.00 0.00 O ATOM 271 CB PRO A 21 -0.769 22.291 -10.257 1.00 0.00 C ATOM 272 CG PRO A 21 -1.662 21.097 -10.301 1.00 0.00 C ATOM 273 CD PRO A 21 -0.769 19.897 -10.170 1.00 0.00 C ATOM 0 HA PRO A 21 1.403 22.186 -9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.274 23.141 -9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.477 22.598 -11.261 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.393 21.128 -9.493 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.222 21.065 -11.236 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.275 19.071 -9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.444 19.529 -11.143 1.00 0.00 H new ATOM 281 N ASN A 22 -0.667 22.275 -7.315 1.00 0.00 N ATOM 282 CA ASN A 22 -0.815 22.850 -5.989 1.00 0.00 C ATOM 283 C ASN A 22 -1.605 21.924 -5.077 1.00 0.00 C ATOM 284 O ASN A 22 -2.339 22.379 -4.202 1.00 0.00 O ATOM 285 CB ASN A 22 -1.517 24.203 -6.092 1.00 0.00 C ATOM 286 CG ASN A 22 -0.844 25.250 -5.240 1.00 0.00 C ATOM 287 OD1 ASN A 22 -1.236 25.500 -4.100 1.00 0.00 O ATOM 288 ND2 ASN A 22 0.193 25.848 -5.789 1.00 0.00 N ATOM 0 H ASN A 22 -1.450 21.694 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 22 0.177 22.985 -5.559 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.524 24.530 -7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.557 24.097 -5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.711 26.554 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.478 25.605 -6.738 1.00 0.00 H new ATOM 295 N GLY A 23 -1.430 20.626 -5.267 1.00 0.00 N ATOM 296 CA GLY A 23 -2.209 19.660 -4.522 1.00 0.00 C ATOM 297 C GLY A 23 -2.305 18.342 -5.253 1.00 0.00 C ATOM 298 O GLY A 23 -1.335 17.905 -5.875 1.00 0.00 O ATOM 0 H GLY A 23 -0.762 20.224 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.755 19.502 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.210 20.055 -4.349 1.00 0.00 H new ATOM 302 N TYR A 24 -3.466 17.717 -5.194 1.00 0.00 N ATOM 303 CA TYR A 24 -3.671 16.428 -5.837 1.00 0.00 C ATOM 304 C TYR A 24 -4.811 16.511 -6.839 1.00 0.00 C ATOM 305 O TYR A 24 -4.911 15.691 -7.750 1.00 0.00 O ATOM 306 CB TYR A 24 -3.949 15.351 -4.789 1.00 0.00 C ATOM 307 CG TYR A 24 -2.911 15.323 -3.694 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.608 14.928 -3.962 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.225 15.723 -2.403 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.648 14.923 -2.973 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.271 15.716 -1.406 1.00 0.00 C ATOM 312 CZ TYR A 24 -0.984 15.320 -1.696 1.00 0.00 C ATOM 313 OH TYR A 24 -0.032 15.328 -0.708 1.00 0.00 O ATOM 0 H TYR A 24 -4.285 18.080 -4.707 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.763 16.157 -6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.931 15.523 -4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.984 14.376 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.342 14.619 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.231 16.044 -2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.361 14.610 -3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.532 16.020 -0.403 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.467 15.238 0.166 1.00 0.00 H new ATOM 323 N GLY A 25 -5.676 17.502 -6.656 1.00 0.00 N ATOM 324 CA GLY A 25 -6.687 17.801 -7.649 1.00 0.00 C ATOM 325 C GLY A 25 -8.017 17.124 -7.388 1.00 0.00 C ATOM 326 O GLY A 25 -8.731 16.778 -8.330 1.00 0.00 O ATOM 0 H GLY A 25 -5.694 18.105 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.840 18.880 -7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.321 17.497 -8.630 1.00 0.00 H new ATOM 330 N PHE A 26 -8.369 16.929 -6.126 1.00 0.00 N ATOM 331 CA PHE A 26 -9.669 16.363 -5.807 1.00 0.00 C ATOM 332 C PHE A 26 -10.318 17.105 -4.649 1.00 0.00 C ATOM 333 O PHE A 26 -9.641 17.722 -3.829 1.00 0.00 O ATOM 334 CB PHE A 26 -9.563 14.864 -5.492 1.00 0.00 C ATOM 335 CG PHE A 26 -8.865 14.535 -4.199 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.485 14.559 -4.109 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.599 14.184 -3.076 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.847 14.239 -2.924 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.968 13.866 -1.890 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.591 13.893 -1.812 1.00 0.00 C ATOM 0 H PHE A 26 -7.784 17.150 -5.320 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.301 16.480 -6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.568 14.442 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.034 14.373 -6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.899 14.831 -4.974 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.677 14.159 -3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.769 14.260 -2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.553 13.596 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.096 13.645 -0.885 1.00 0.00 H new ATOM 350 N HIS A 27 -11.634 17.056 -4.612 1.00 0.00 N ATOM 351 CA HIS A 27 -12.401 17.640 -3.525 1.00 0.00 C ATOM 352 C HIS A 27 -12.897 16.539 -2.613 1.00 0.00 C ATOM 353 O HIS A 27 -13.461 15.556 -3.085 1.00 0.00 O ATOM 354 CB HIS A 27 -13.601 18.425 -4.061 1.00 0.00 C ATOM 355 CG HIS A 27 -13.256 19.737 -4.687 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.701 20.937 -4.189 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.526 20.037 -5.787 1.00 0.00 C ATOM 358 CE1 HIS A 27 -13.270 21.920 -4.952 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.552 21.403 -5.929 1.00 0.00 N ATOM 0 H HIS A 27 -12.203 16.612 -5.332 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.754 18.324 -2.976 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.120 17.811 -4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.299 18.600 -3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.019 19.334 -6.432 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.471 22.971 -4.803 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.091 21.931 -6.670 1.00 0.00 H new ATOM 368 N LEU A 28 -12.678 16.686 -1.321 1.00 0.00 N ATOM 369 CA LEU A 28 -13.180 15.717 -0.368 1.00 0.00 C ATOM 370 C LEU A 28 -14.118 16.413 0.608 1.00 0.00 C ATOM 371 O LEU A 28 -13.750 17.411 1.226 1.00 0.00 O ATOM 372 CB LEU A 28 -12.018 15.037 0.369 1.00 0.00 C ATOM 373 CG LEU A 28 -12.357 13.711 1.068 1.00 0.00 C ATOM 374 CD1 LEU A 28 -11.097 12.903 1.316 1.00 0.00 C ATOM 375 CD2 LEU A 28 -13.079 13.950 2.386 1.00 0.00 C ATOM 0 H LEU A 28 -12.159 17.462 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.734 14.940 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.216 14.855 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.629 15.731 1.115 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.019 13.151 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.356 11.967 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.610 12.687 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.418 13.473 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.305 12.993 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.443 14.538 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.007 14.491 2.200 1.00 0.00 H new ATOM 387 N HIS A 29 -15.329 15.893 0.741 1.00 0.00 N ATOM 388 CA HIS A 29 -16.318 16.511 1.609 1.00 0.00 C ATOM 389 C HIS A 29 -16.603 15.623 2.813 1.00 0.00 C ATOM 390 O HIS A 29 -16.640 14.397 2.698 1.00 0.00 O ATOM 391 CB HIS A 29 -17.620 16.821 0.846 1.00 0.00 C ATOM 392 CG HIS A 29 -18.416 15.612 0.444 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.602 15.249 1.050 1.00 0.00 N ATOM 394 CD2 HIS A 29 -18.195 14.690 -0.523 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.068 14.157 0.476 1.00 0.00 C ATOM 396 NE2 HIS A 29 -19.236 13.799 -0.482 1.00 0.00 N ATOM 0 H HIS A 29 -15.648 15.051 0.262 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.906 17.456 1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -18.246 17.461 1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.373 17.391 -0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -17.355 14.662 -1.201 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.978 13.642 0.745 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.349 12.990 -1.093 1.00 0.00 H new ATOM 405 N GLY A 30 -16.784 16.253 3.960 1.00 0.00 N ATOM 406 CA GLY A 30 -17.112 15.530 5.169 1.00 0.00 C ATOM 407 C GLY A 30 -18.278 16.174 5.868 1.00 0.00 C ATOM 408 O GLY A 30 -18.272 17.387 6.093 1.00 0.00 O ATOM 0 H GLY A 30 -16.709 17.264 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.352 14.495 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.248 15.510 5.833 1.00 0.00 H new ATOM 412 N GLU A 31 -19.281 15.384 6.204 1.00 0.00 N ATOM 413 CA GLU A 31 -20.525 15.932 6.713 1.00 0.00 C ATOM 414 C GLU A 31 -20.926 15.278 8.029 1.00 0.00 C ATOM 415 O GLU A 31 -21.141 14.068 8.078 1.00 0.00 O ATOM 416 CB GLU A 31 -21.635 15.756 5.673 1.00 0.00 C ATOM 417 CG GLU A 31 -21.291 16.357 4.317 1.00 0.00 C ATOM 418 CD GLU A 31 -22.429 16.258 3.327 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.415 17.007 3.473 1.00 0.00 O ATOM 420 OE2 GLU A 31 -22.340 15.423 2.400 1.00 0.00 O ATOM 0 H GLU A 31 -19.260 14.367 6.134 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.374 16.994 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.842 14.693 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.549 16.218 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.019 17.404 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.417 15.849 3.911 1.00 0.00 H new ATOM 427 N LYS A 32 -21.005 16.121 9.073 1.00 0.00 N ATOM 428 CA LYS A 32 -21.448 15.764 10.437 1.00 0.00 C ATOM 429 C LYS A 32 -20.664 14.609 11.075 1.00 0.00 C ATOM 430 O LYS A 32 -20.383 13.583 10.455 1.00 0.00 O ATOM 431 CB LYS A 32 -22.967 15.498 10.497 1.00 0.00 C ATOM 432 CG LYS A 32 -23.439 14.240 9.790 1.00 0.00 C ATOM 433 CD LYS A 32 -24.947 14.088 9.875 1.00 0.00 C ATOM 434 CE LYS A 32 -25.402 13.855 11.305 1.00 0.00 C ATOM 435 NZ LYS A 32 -26.882 13.814 11.412 1.00 0.00 N ATOM 0 H LYS A 32 -20.754 17.106 8.990 1.00 0.00 H new ATOM 0 HA LYS A 32 -21.224 16.644 11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -23.267 15.440 11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -23.485 16.353 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.134 14.273 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.959 13.369 10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -25.427 14.984 9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -25.266 13.254 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.985 12.917 11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.013 14.648 11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -27.154 13.653 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -27.279 14.718 11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -27.251 13.041 10.822 1.00 0.00 H new ATOM 449 N GLY A 33 -20.317 14.798 12.340 1.00 0.00 N ATOM 450 CA GLY A 33 -19.611 13.780 13.088 1.00 0.00 C ATOM 451 C GLY A 33 -18.211 13.532 12.567 1.00 0.00 C ATOM 452 O GLY A 33 -17.456 14.472 12.306 1.00 0.00 O ATOM 0 H GLY A 33 -20.515 15.649 12.866 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.556 14.078 14.135 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.178 12.850 13.050 1.00 0.00 H new ATOM 456 N LYS A 34 -17.871 12.264 12.408 1.00 0.00 N ATOM 457 CA LYS A 34 -16.545 11.871 11.958 1.00 0.00 C ATOM 458 C LYS A 34 -16.657 10.995 10.721 1.00 0.00 C ATOM 459 O LYS A 34 -16.041 11.269 9.693 1.00 0.00 O ATOM 460 CB LYS A 34 -15.811 11.100 13.059 1.00 0.00 C ATOM 461 CG LYS A 34 -15.826 11.790 14.412 1.00 0.00 C ATOM 462 CD LYS A 34 -15.162 10.931 15.472 1.00 0.00 C ATOM 463 CE LYS A 34 -15.424 11.467 16.869 1.00 0.00 C ATOM 464 NZ LYS A 34 -16.861 11.377 17.238 1.00 0.00 N ATOM 0 H LYS A 34 -18.501 11.482 12.586 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.981 12.773 11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.263 10.114 13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.776 10.946 12.753 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.311 12.748 14.341 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.855 12.002 14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.533 9.909 15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.088 10.894 15.291 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.829 10.907 17.590 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.099 12.506 16.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.959 11.440 18.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.383 12.158 16.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.248 10.470 16.908 1.00 0.00 H new ATOM 478 N LEU A 35 -17.478 9.957 10.828 1.00 0.00 N ATOM 479 CA LEU A 35 -17.635 8.984 9.757 1.00 0.00 C ATOM 480 C LEU A 35 -18.315 9.607 8.547 1.00 0.00 C ATOM 481 O LEU A 35 -19.455 10.069 8.630 1.00 0.00 O ATOM 482 CB LEU A 35 -18.464 7.792 10.233 1.00 0.00 C ATOM 483 CG LEU A 35 -17.968 7.095 11.499 1.00 0.00 C ATOM 484 CD1 LEU A 35 -18.945 6.011 11.910 1.00 0.00 C ATOM 485 CD2 LEU A 35 -16.583 6.507 11.288 1.00 0.00 C ATOM 0 H LEU A 35 -18.048 9.768 11.652 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.638 8.647 9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -19.486 8.131 10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.503 7.057 9.429 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.902 7.835 12.297 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.584 5.519 12.813 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.921 6.456 12.104 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.033 5.278 11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.253 6.017 12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.617 5.779 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.885 7.304 11.031 1.00 0.00 H new ATOM 497 N GLY A 36 -17.616 9.615 7.428 1.00 0.00 N ATOM 498 CA GLY A 36 -18.204 10.114 6.202 1.00 0.00 C ATOM 499 C GLY A 36 -17.259 10.980 5.396 1.00 0.00 C ATOM 500 O GLY A 36 -17.511 12.169 5.205 1.00 0.00 O ATOM 0 H GLY A 36 -16.654 9.287 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.524 9.270 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.097 10.690 6.443 1.00 0.00 H new ATOM 504 N GLN A 37 -16.170 10.386 4.922 1.00 0.00 N ATOM 505 CA GLN A 37 -15.234 11.092 4.056 1.00 0.00 C ATOM 506 C GLN A 37 -15.398 10.586 2.629 1.00 0.00 C ATOM 507 O GLN A 37 -15.139 9.415 2.347 1.00 0.00 O ATOM 508 CB GLN A 37 -13.789 10.870 4.524 1.00 0.00 C ATOM 509 CG GLN A 37 -13.582 11.092 6.016 1.00 0.00 C ATOM 510 CD GLN A 37 -13.995 12.476 6.482 1.00 0.00 C ATOM 511 OE1 GLN A 37 -13.909 13.460 5.740 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.450 12.560 7.722 1.00 0.00 N ATOM 0 H GLN A 37 -15.914 9.419 5.122 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.447 12.160 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.489 9.853 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.132 11.542 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.151 10.345 6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.531 10.934 6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.505 11.723 8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.745 13.461 8.097 1.00 0.00 H new ATOM 521 N TYR A 38 -15.827 11.461 1.732 1.00 0.00 N ATOM 522 CA TYR A 38 -16.096 11.066 0.355 1.00 0.00 C ATOM 523 C TYR A 38 -15.505 12.065 -0.624 1.00 0.00 C ATOM 524 O TYR A 38 -15.440 13.264 -0.341 1.00 0.00 O ATOM 525 CB TYR A 38 -17.604 10.970 0.107 1.00 0.00 C ATOM 526 CG TYR A 38 -18.343 10.045 1.048 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.231 8.665 0.927 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.161 10.550 2.055 1.00 0.00 C ATOM 529 CE1 TYR A 38 -18.908 7.816 1.781 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.841 9.706 2.912 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.713 8.340 2.769 1.00 0.00 C ATOM 532 OH TYR A 38 -20.390 7.496 3.619 1.00 0.00 O ATOM 0 H TYR A 38 -15.996 12.447 1.931 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.633 10.091 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.036 11.968 0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.769 10.632 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.604 8.249 0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.266 11.619 2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -18.807 6.746 1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.470 10.114 3.690 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.912 8.025 4.258 1.00 0.00 H new ATOM 542 N ILE A 39 -15.081 11.567 -1.778 1.00 0.00 N ATOM 543 CA ILE A 39 -14.603 12.424 -2.845 1.00 0.00 C ATOM 544 C ILE A 39 -15.798 13.072 -3.538 1.00 0.00 C ATOM 545 O ILE A 39 -16.780 12.404 -3.851 1.00 0.00 O ATOM 546 CB ILE A 39 -13.765 11.646 -3.885 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.741 10.738 -3.191 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.062 12.614 -4.827 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.769 11.472 -2.294 1.00 0.00 C ATOM 0 H ILE A 39 -15.060 10.571 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.957 13.182 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.439 11.017 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.274 9.994 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.178 10.196 -3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.475 12.053 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.804 13.218 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.402 13.265 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.080 10.758 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.206 12.196 -2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.319 11.991 -1.509 1.00 0.00 H new ATOM 561 N ARG A 40 -15.711 14.371 -3.753 1.00 0.00 N ATOM 562 CA ARG A 40 -16.827 15.142 -4.279 1.00 0.00 C ATOM 563 C ARG A 40 -16.636 15.458 -5.756 1.00 0.00 C ATOM 564 O ARG A 40 -17.579 15.398 -6.540 1.00 0.00 O ATOM 565 CB ARG A 40 -16.960 16.442 -3.488 1.00 0.00 C ATOM 566 CG ARG A 40 -18.163 17.285 -3.867 1.00 0.00 C ATOM 567 CD ARG A 40 -19.461 16.587 -3.513 1.00 0.00 C ATOM 568 NE ARG A 40 -20.572 17.529 -3.424 1.00 0.00 N ATOM 569 CZ ARG A 40 -21.846 17.168 -3.296 1.00 0.00 C ATOM 570 NH1 ARG A 40 -22.176 15.881 -3.307 1.00 0.00 N ATOM 571 NH2 ARG A 40 -22.791 18.093 -3.171 1.00 0.00 N ATOM 0 H ARG A 40 -14.872 14.921 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.734 14.547 -4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.019 16.203 -2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.056 17.035 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.113 18.245 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.140 17.494 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.684 15.830 -4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.347 16.067 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.359 18.526 -3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.453 15.170 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.153 15.604 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.540 19.082 -3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.767 17.815 -3.073 1.00 0.00 H new ATOM 585 N LEU A 41 -15.412 15.802 -6.123 1.00 0.00 N ATOM 586 CA LEU A 41 -15.105 16.191 -7.492 1.00 0.00 C ATOM 587 C LEU A 41 -13.631 15.957 -7.783 1.00 0.00 C ATOM 588 O LEU A 41 -12.785 16.159 -6.911 1.00 0.00 O ATOM 589 CB LEU A 41 -15.460 17.666 -7.713 1.00 0.00 C ATOM 590 CG LEU A 41 -15.281 18.178 -9.144 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.210 17.441 -10.099 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.536 19.676 -9.206 1.00 0.00 C ATOM 0 H LEU A 41 -14.612 15.820 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.699 15.582 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.498 17.820 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.845 18.273 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.253 17.987 -9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.067 17.820 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.985 16.375 -10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.245 17.600 -9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.405 20.025 -10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.554 19.886 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.832 20.192 -8.554 1.00 0.00 H new ATOM 604 N VAL A 42 -13.329 15.522 -8.998 1.00 0.00 N ATOM 605 CA VAL A 42 -11.955 15.257 -9.397 1.00 0.00 C ATOM 606 C VAL A 42 -11.584 16.080 -10.628 1.00 0.00 C ATOM 607 O VAL A 42 -12.335 16.131 -11.605 1.00 0.00 O ATOM 608 CB VAL A 42 -11.733 13.756 -9.691 1.00 0.00 C ATOM 609 CG1 VAL A 42 -10.285 13.485 -10.062 1.00 0.00 C ATOM 610 CG2 VAL A 42 -12.139 12.904 -8.499 1.00 0.00 C ATOM 0 H VAL A 42 -14.020 15.345 -9.727 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.313 15.545 -8.565 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.363 13.486 -10.539 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.154 12.422 -10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.024 14.058 -10.951 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.637 13.780 -9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.973 11.852 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.541 13.183 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.194 13.065 -8.279 1.00 0.00 H new ATOM 620 N GLU A 43 -10.437 16.739 -10.555 1.00 0.00 N ATOM 621 CA GLU A 43 -9.923 17.545 -11.650 1.00 0.00 C ATOM 622 C GLU A 43 -9.432 16.648 -12.788 1.00 0.00 C ATOM 623 O GLU A 43 -8.795 15.621 -12.555 1.00 0.00 O ATOM 624 CB GLU A 43 -8.789 18.429 -11.116 1.00 0.00 C ATOM 625 CG GLU A 43 -8.034 19.201 -12.181 1.00 0.00 C ATOM 626 CD GLU A 43 -6.938 20.062 -11.596 1.00 0.00 C ATOM 627 OE1 GLU A 43 -7.256 21.108 -10.997 1.00 0.00 O ATOM 628 OE2 GLU A 43 -5.753 19.693 -11.721 1.00 0.00 O ATOM 0 H GLU A 43 -9.835 16.729 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.715 18.178 -12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.205 19.137 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.083 17.802 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.601 18.501 -12.896 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.732 19.830 -12.734 1.00 0.00 H new ATOM 635 N PRO A 44 -9.739 17.024 -14.043 1.00 0.00 N ATOM 636 CA PRO A 44 -9.353 16.245 -15.227 1.00 0.00 C ATOM 637 C PRO A 44 -7.838 16.124 -15.394 1.00 0.00 C ATOM 638 O PRO A 44 -7.351 15.169 -15.997 1.00 0.00 O ATOM 639 CB PRO A 44 -9.953 17.034 -16.395 1.00 0.00 C ATOM 640 CG PRO A 44 -10.169 18.409 -15.862 1.00 0.00 C ATOM 641 CD PRO A 44 -10.498 18.234 -14.409 1.00 0.00 C ATOM 0 HA PRO A 44 -9.711 15.218 -15.157 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.279 17.044 -17.252 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.890 16.590 -16.732 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.278 19.023 -15.990 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.980 18.910 -16.390 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.191 19.097 -13.818 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.568 18.103 -14.250 1.00 0.00 H new ATOM 649 N GLY A 45 -7.104 17.092 -14.865 1.00 0.00 N ATOM 650 CA GLY A 45 -5.658 17.067 -14.963 1.00 0.00 C ATOM 651 C GLY A 45 -4.998 16.714 -13.647 1.00 0.00 C ATOM 652 O GLY A 45 -3.874 17.137 -13.373 1.00 0.00 O ATOM 0 H GLY A 45 -7.485 17.897 -14.368 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.360 16.343 -15.722 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.302 18.042 -15.295 1.00 0.00 H new ATOM 656 N SER A 46 -5.689 15.937 -12.829 1.00 0.00 N ATOM 657 CA SER A 46 -5.181 15.583 -11.517 1.00 0.00 C ATOM 658 C SER A 46 -4.518 14.210 -11.544 1.00 0.00 C ATOM 659 O SER A 46 -4.932 13.317 -12.285 1.00 0.00 O ATOM 660 CB SER A 46 -6.318 15.579 -10.495 1.00 0.00 C ATOM 661 OG SER A 46 -7.244 14.541 -10.765 1.00 0.00 O ATOM 0 H SER A 46 -6.602 15.541 -13.051 1.00 0.00 H new ATOM 0 HA SER A 46 -4.437 16.327 -11.231 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.909 15.454 -9.492 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.830 16.541 -10.513 1.00 0.00 H new ATOM 0 HG SER A 46 -7.742 14.752 -11.582 1.00 0.00 H new ATOM 667 N PRO A 47 -3.462 14.030 -10.741 1.00 0.00 N ATOM 668 CA PRO A 47 -2.854 12.721 -10.521 1.00 0.00 C ATOM 669 C PRO A 47 -3.785 11.809 -9.731 1.00 0.00 C ATOM 670 O PRO A 47 -3.575 10.601 -9.658 1.00 0.00 O ATOM 671 CB PRO A 47 -1.597 13.037 -9.710 1.00 0.00 C ATOM 672 CG PRO A 47 -1.890 14.337 -9.049 1.00 0.00 C ATOM 673 CD PRO A 47 -2.763 15.097 -10.005 1.00 0.00 C ATOM 0 HA PRO A 47 -2.641 12.197 -11.453 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.393 12.257 -8.976 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.719 13.108 -10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.395 14.185 -8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.971 14.885 -8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.462 15.749 -9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.176 15.729 -10.672 1.00 0.00 H new ATOM 681 N ALA A 48 -4.811 12.410 -9.135 1.00 0.00 N ATOM 682 CA ALA A 48 -5.801 11.679 -8.362 1.00 0.00 C ATOM 683 C ALA A 48 -6.565 10.694 -9.239 1.00 0.00 C ATOM 684 O ALA A 48 -6.648 9.509 -8.921 1.00 0.00 O ATOM 685 CB ALA A 48 -6.765 12.648 -7.695 1.00 0.00 C ATOM 0 H ALA A 48 -4.976 13.416 -9.176 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.279 11.111 -7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.502 12.089 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.212 13.312 -7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.273 13.239 -8.457 1.00 0.00 H new ATOM 691 N GLU A 49 -7.096 11.179 -10.359 1.00 0.00 N ATOM 692 CA GLU A 49 -7.894 10.337 -11.247 1.00 0.00 C ATOM 693 C GLU A 49 -7.026 9.265 -11.902 1.00 0.00 C ATOM 694 O GLU A 49 -7.503 8.173 -12.214 1.00 0.00 O ATOM 695 CB GLU A 49 -8.629 11.191 -12.297 1.00 0.00 C ATOM 696 CG GLU A 49 -7.728 11.984 -13.237 1.00 0.00 C ATOM 697 CD GLU A 49 -7.458 11.262 -14.544 1.00 0.00 C ATOM 698 OE1 GLU A 49 -8.205 10.318 -14.876 1.00 0.00 O ATOM 699 OE2 GLU A 49 -6.516 11.646 -15.262 1.00 0.00 O ATOM 0 H GLU A 49 -6.989 12.144 -10.672 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.651 9.828 -10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.263 10.536 -12.894 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.288 11.887 -11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.191 12.948 -13.449 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.781 12.188 -12.738 1.00 0.00 H new ATOM 706 N LYS A 50 -5.750 9.580 -12.092 1.00 0.00 N ATOM 707 CA LYS A 50 -4.801 8.627 -12.656 1.00 0.00 C ATOM 708 C LYS A 50 -4.389 7.594 -11.613 1.00 0.00 C ATOM 709 O LYS A 50 -4.051 6.460 -11.947 1.00 0.00 O ATOM 710 CB LYS A 50 -3.567 9.354 -13.199 1.00 0.00 C ATOM 711 CG LYS A 50 -3.890 10.317 -14.329 1.00 0.00 C ATOM 712 CD LYS A 50 -2.642 10.939 -14.932 1.00 0.00 C ATOM 713 CE LYS A 50 -1.904 11.818 -13.937 1.00 0.00 C ATOM 714 NZ LYS A 50 -0.770 12.535 -14.577 1.00 0.00 N ATOM 0 H LYS A 50 -5.348 10.489 -11.863 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.290 8.108 -13.480 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.090 9.903 -12.387 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.845 8.618 -13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.442 9.789 -15.107 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.542 11.106 -13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.976 10.150 -15.281 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.918 11.532 -15.804 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.596 12.542 -13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.531 11.206 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.289 13.126 -13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.097 11.844 -14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.129 13.138 -15.344 1.00 0.00 H new ATOM 728 N ALA A 51 -4.436 7.992 -10.345 1.00 0.00 N ATOM 729 CA ALA A 51 -4.093 7.101 -9.241 1.00 0.00 C ATOM 730 C ALA A 51 -5.155 6.024 -9.062 1.00 0.00 C ATOM 731 O ALA A 51 -4.901 4.977 -8.465 1.00 0.00 O ATOM 732 CB ALA A 51 -3.928 7.889 -7.948 1.00 0.00 C ATOM 0 H ALA A 51 -4.710 8.931 -10.056 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.146 6.618 -9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.672 7.207 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.132 8.624 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.861 8.400 -7.712 1.00 0.00 H new ATOM 738 N GLY A 52 -6.342 6.287 -9.586 1.00 0.00 N ATOM 739 CA GLY A 52 -7.439 5.352 -9.444 1.00 0.00 C ATOM 740 C GLY A 52 -8.539 5.901 -8.566 1.00 0.00 C ATOM 741 O GLY A 52 -9.547 5.238 -8.332 1.00 0.00 O ATOM 0 H GLY A 52 -6.566 7.134 -10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.844 5.116 -10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.068 4.419 -9.020 1.00 0.00 H new ATOM 745 N LEU A 53 -8.335 7.111 -8.071 1.00 0.00 N ATOM 746 CA LEU A 53 -9.320 7.776 -7.241 1.00 0.00 C ATOM 747 C LEU A 53 -10.511 8.207 -8.088 1.00 0.00 C ATOM 748 O LEU A 53 -10.344 8.887 -9.104 1.00 0.00 O ATOM 749 CB LEU A 53 -8.696 9.001 -6.583 1.00 0.00 C ATOM 750 CG LEU A 53 -9.459 9.560 -5.391 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.965 8.913 -4.110 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.316 11.068 -5.338 1.00 0.00 C ATOM 0 H LEU A 53 -7.487 7.655 -8.233 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.659 7.083 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.687 8.745 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.600 9.786 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.518 9.329 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.516 9.319 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.121 7.836 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.902 9.120 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.866 11.456 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.262 11.330 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.716 11.504 -6.253 1.00 0.00 H new ATOM 764 N LEU A 54 -11.706 7.810 -7.682 1.00 0.00 N ATOM 765 CA LEU A 54 -12.908 8.166 -8.418 1.00 0.00 C ATOM 766 C LEU A 54 -13.705 9.232 -7.680 1.00 0.00 C ATOM 767 O LEU A 54 -13.616 9.362 -6.456 1.00 0.00 O ATOM 768 CB LEU A 54 -13.780 6.930 -8.648 1.00 0.00 C ATOM 769 CG LEU A 54 -13.137 5.834 -9.497 1.00 0.00 C ATOM 770 CD1 LEU A 54 -14.072 4.643 -9.614 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.777 6.370 -10.873 1.00 0.00 C ATOM 0 H LEU A 54 -11.869 7.243 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.602 8.570 -9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.048 6.508 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.708 7.243 -9.127 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.220 5.506 -9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.602 3.870 -10.221 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.282 4.247 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.004 4.957 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.320 5.577 -11.464 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.679 6.722 -11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.073 7.196 -10.769 1.00 0.00 H new ATOM 783 N ALA A 55 -14.477 10.000 -8.442 1.00 0.00 N ATOM 784 CA ALA A 55 -15.295 11.071 -7.886 1.00 0.00 C ATOM 785 C ALA A 55 -16.498 10.509 -7.139 1.00 0.00 C ATOM 786 O ALA A 55 -17.623 10.530 -7.639 1.00 0.00 O ATOM 787 CB ALA A 55 -15.749 12.016 -8.989 1.00 0.00 C ATOM 0 H ALA A 55 -14.553 9.899 -9.454 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.686 11.629 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.359 12.811 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.877 12.451 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.337 11.464 -9.722 1.00 0.00 H new ATOM 793 N GLY A 56 -16.247 10.002 -5.945 1.00 0.00 N ATOM 794 CA GLY A 56 -17.303 9.429 -5.139 1.00 0.00 C ATOM 795 C GLY A 56 -16.785 8.391 -4.165 1.00 0.00 C ATOM 796 O GLY A 56 -17.520 7.943 -3.284 1.00 0.00 O ATOM 0 H GLY A 56 -15.322 9.977 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.807 10.222 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.047 8.972 -5.791 1.00 0.00 H new ATOM 800 N ASP A 57 -15.517 8.011 -4.321 1.00 0.00 N ATOM 801 CA ASP A 57 -14.903 7.007 -3.462 1.00 0.00 C ATOM 802 C ASP A 57 -14.837 7.479 -2.018 1.00 0.00 C ATOM 803 O ASP A 57 -14.767 8.680 -1.741 1.00 0.00 O ATOM 804 CB ASP A 57 -13.489 6.663 -3.946 1.00 0.00 C ATOM 805 CG ASP A 57 -13.484 5.862 -5.232 1.00 0.00 C ATOM 806 OD1 ASP A 57 -14.547 5.329 -5.608 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.411 5.756 -5.869 1.00 0.00 O ATOM 0 H ASP A 57 -14.896 8.387 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.528 6.116 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.928 7.585 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.972 6.098 -3.170 1.00 0.00 H new ATOM 812 N ARG A 58 -14.865 6.525 -1.105 1.00 0.00 N ATOM 813 CA ARG A 58 -14.739 6.814 0.315 1.00 0.00 C ATOM 814 C ARG A 58 -13.328 6.504 0.788 1.00 0.00 C ATOM 815 O ARG A 58 -12.804 5.414 0.539 1.00 0.00 O ATOM 816 CB ARG A 58 -15.769 6.014 1.125 1.00 0.00 C ATOM 817 CG ARG A 58 -15.835 4.541 0.755 1.00 0.00 C ATOM 818 CD ARG A 58 -16.945 3.821 1.501 1.00 0.00 C ATOM 819 NE ARG A 58 -16.623 3.589 2.909 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.407 2.905 3.744 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.603 2.481 3.344 1.00 0.00 N ATOM 822 NH2 ARG A 58 -17.014 2.665 4.990 1.00 0.00 N ATOM 0 H ARG A 58 -14.975 5.535 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.935 7.875 0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.530 6.102 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -16.754 6.459 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.996 4.443 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.879 4.067 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.861 4.407 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.142 2.865 1.016 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.750 3.972 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.923 2.679 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.200 1.958 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.108 3.004 5.313 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.618 2.141 5.623 1.00 0.00 H new ATOM 836 N LEU A 59 -12.710 7.472 1.451 1.00 0.00 N ATOM 837 CA LEU A 59 -11.362 7.297 1.966 1.00 0.00 C ATOM 838 C LEU A 59 -11.411 6.523 3.271 1.00 0.00 C ATOM 839 O LEU A 59 -11.831 7.053 4.300 1.00 0.00 O ATOM 840 CB LEU A 59 -10.681 8.651 2.190 1.00 0.00 C ATOM 841 CG LEU A 59 -9.222 8.572 2.639 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.381 7.857 1.593 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.668 9.961 2.906 1.00 0.00 C ATOM 0 H LEU A 59 -13.121 8.385 1.644 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.781 6.740 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.730 9.224 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.247 9.206 2.938 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.180 8.001 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.345 7.810 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.762 6.846 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.432 8.402 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.628 9.883 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.725 10.557 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.253 10.441 3.691 1.00 0.00 H new ATOM 855 N VAL A 60 -11.004 5.267 3.222 1.00 0.00 N ATOM 856 CA VAL A 60 -11.049 4.424 4.400 1.00 0.00 C ATOM 857 C VAL A 60 -9.751 4.520 5.194 1.00 0.00 C ATOM 858 O VAL A 60 -9.776 4.657 6.417 1.00 0.00 O ATOM 859 CB VAL A 60 -11.360 2.947 4.052 1.00 0.00 C ATOM 860 CG1 VAL A 60 -12.778 2.820 3.517 1.00 0.00 C ATOM 861 CG2 VAL A 60 -10.365 2.390 3.043 1.00 0.00 C ATOM 0 H VAL A 60 -10.641 4.812 2.384 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.866 4.794 5.019 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.269 2.362 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.984 1.777 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.484 3.164 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.884 3.428 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.613 1.352 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.410 2.977 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.358 2.442 3.458 1.00 0.00 H new ATOM 871 N GLU A 61 -8.620 4.492 4.500 1.00 0.00 N ATOM 872 CA GLU A 61 -7.327 4.482 5.169 1.00 0.00 C ATOM 873 C GLU A 61 -6.317 5.351 4.429 1.00 0.00 C ATOM 874 O GLU A 61 -6.423 5.550 3.219 1.00 0.00 O ATOM 875 CB GLU A 61 -6.798 3.046 5.276 1.00 0.00 C ATOM 876 CG GLU A 61 -7.749 2.100 5.993 1.00 0.00 C ATOM 877 CD GLU A 61 -7.123 0.762 6.315 1.00 0.00 C ATOM 878 OE1 GLU A 61 -6.256 0.712 7.210 1.00 0.00 O ATOM 879 OE2 GLU A 61 -7.514 -0.248 5.695 1.00 0.00 O ATOM 0 H GLU A 61 -8.572 4.476 3.481 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.463 4.892 6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.604 2.663 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.844 3.057 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.089 2.567 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.631 1.942 5.373 1.00 0.00 H new ATOM 886 N VAL A 62 -5.342 5.872 5.162 1.00 0.00 N ATOM 887 CA VAL A 62 -4.253 6.630 4.562 1.00 0.00 C ATOM 888 C VAL A 62 -2.921 6.004 4.959 1.00 0.00 C ATOM 889 O VAL A 62 -2.666 5.767 6.140 1.00 0.00 O ATOM 890 CB VAL A 62 -4.286 8.132 4.956 1.00 0.00 C ATOM 891 CG1 VAL A 62 -4.190 8.312 6.458 1.00 0.00 C ATOM 892 CG2 VAL A 62 -3.176 8.911 4.259 1.00 0.00 C ATOM 0 H VAL A 62 -5.283 5.783 6.176 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.375 6.588 3.480 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.245 8.530 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.216 9.375 6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.029 7.810 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.255 7.881 6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.226 9.959 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.208 8.499 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.300 8.833 3.179 1.00 0.00 H new ATOM 902 N ASN A 63 -2.101 5.706 3.953 1.00 0.00 N ATOM 903 CA ASN A 63 -0.809 5.037 4.144 1.00 0.00 C ATOM 904 C ASN A 63 -0.997 3.598 4.621 1.00 0.00 C ATOM 905 O ASN A 63 -0.698 2.658 3.886 1.00 0.00 O ATOM 906 CB ASN A 63 0.111 5.811 5.105 1.00 0.00 C ATOM 907 CG ASN A 63 0.799 7.000 4.451 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.108 7.676 3.543 1.00 0.00 O flip ATOM 909 ND2 ASN A 63 1.942 7.320 4.768 1.00 0.00 N flip ATOM 0 H ASN A 63 -2.312 5.921 2.978 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.319 5.017 3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.475 6.161 5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.868 5.132 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.447 6.779 5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.386 8.127 4.329 1.00 0.00 H new ATOM 916 N GLY A 64 -1.492 3.425 5.842 1.00 0.00 N ATOM 917 CA GLY A 64 -1.755 2.092 6.349 1.00 0.00 C ATOM 918 C GLY A 64 -2.581 2.085 7.625 1.00 0.00 C ATOM 919 O GLY A 64 -2.575 1.095 8.356 1.00 0.00 O ATOM 0 H GLY A 64 -1.715 4.182 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.276 1.516 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.807 1.588 6.536 1.00 0.00 H new ATOM 923 N GLU A 65 -3.252 3.193 7.926 1.00 0.00 N ATOM 924 CA GLU A 65 -4.136 3.255 9.084 1.00 0.00 C ATOM 925 C GLU A 65 -5.528 3.741 8.681 1.00 0.00 C ATOM 926 O GLU A 65 -5.663 4.644 7.847 1.00 0.00 O ATOM 927 CB GLU A 65 -3.533 4.157 10.160 1.00 0.00 C ATOM 928 CG GLU A 65 -3.342 5.595 9.723 1.00 0.00 C ATOM 929 CD GLU A 65 -2.631 6.421 10.769 1.00 0.00 C ATOM 930 OE1 GLU A 65 -3.266 6.771 11.787 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.440 6.733 10.572 1.00 0.00 O ATOM 0 H GLU A 65 -3.200 4.057 7.386 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.241 2.251 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.178 4.138 11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.569 3.749 10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.771 5.618 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.314 6.040 9.510 1.00 0.00 H new ATOM 938 N ASN A 66 -6.554 3.144 9.278 1.00 0.00 N ATOM 939 CA ASN A 66 -7.940 3.495 8.976 1.00 0.00 C ATOM 940 C ASN A 66 -8.283 4.863 9.551 1.00 0.00 C ATOM 941 O ASN A 66 -8.076 5.117 10.739 1.00 0.00 O ATOM 942 CB ASN A 66 -8.884 2.426 9.534 1.00 0.00 C ATOM 943 CG ASN A 66 -10.330 2.629 9.115 1.00 0.00 C ATOM 944 OD1 ASN A 66 -11.116 3.273 9.963 1.00 0.00 O flip ATOM 945 ND2 ASN A 66 -10.746 2.176 8.052 1.00 0.00 N flip ATOM 0 H ASN A 66 -6.452 2.410 9.979 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.062 3.541 7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.550 1.444 9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.824 2.429 10.622 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.110 1.685 7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.727 2.291 7.798 1.00 0.00 H new ATOM 952 N VAL A 67 -8.809 5.741 8.709 1.00 0.00 N ATOM 953 CA VAL A 67 -9.047 7.125 9.102 1.00 0.00 C ATOM 954 C VAL A 67 -10.512 7.516 8.992 1.00 0.00 C ATOM 955 O VAL A 67 -10.847 8.694 9.079 1.00 0.00 O ATOM 956 CB VAL A 67 -8.201 8.109 8.269 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.727 7.916 8.570 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.475 7.945 6.776 1.00 0.00 C ATOM 0 H VAL A 67 -9.079 5.521 7.750 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.748 7.189 10.148 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.484 9.124 8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.140 8.616 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.545 8.097 9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.435 6.896 8.321 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.864 8.652 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.227 6.928 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.529 8.137 6.576 1.00 0.00 H new ATOM 968 N GLU A 68 -11.385 6.533 8.813 1.00 0.00 N ATOM 969 CA GLU A 68 -12.820 6.799 8.781 1.00 0.00 C ATOM 970 C GLU A 68 -13.278 7.419 10.095 1.00 0.00 C ATOM 971 O GLU A 68 -14.245 8.174 10.138 1.00 0.00 O ATOM 972 CB GLU A 68 -13.609 5.509 8.561 1.00 0.00 C ATOM 973 CG GLU A 68 -13.218 4.734 7.319 1.00 0.00 C ATOM 974 CD GLU A 68 -14.042 3.475 7.172 1.00 0.00 C ATOM 975 OE1 GLU A 68 -13.936 2.588 8.048 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.812 3.370 6.197 1.00 0.00 O ATOM 0 H GLU A 68 -11.130 5.553 8.689 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.005 7.488 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.478 4.866 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.670 5.753 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.352 5.363 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.160 4.475 7.368 1.00 0.00 H new ATOM 983 N LYS A 69 -12.561 7.091 11.160 1.00 0.00 N ATOM 984 CA LYS A 69 -12.969 7.469 12.503 1.00 0.00 C ATOM 985 C LYS A 69 -12.438 8.853 12.860 1.00 0.00 C ATOM 986 O LYS A 69 -12.765 9.403 13.911 1.00 0.00 O ATOM 987 CB LYS A 69 -12.457 6.437 13.509 1.00 0.00 C ATOM 988 CG LYS A 69 -12.516 4.995 13.010 1.00 0.00 C ATOM 989 CD LYS A 69 -13.939 4.532 12.729 1.00 0.00 C ATOM 990 CE LYS A 69 -13.947 3.135 12.116 1.00 0.00 C ATOM 991 NZ LYS A 69 -15.324 2.644 11.839 1.00 0.00 N ATOM 0 H LYS A 69 -11.690 6.562 11.118 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.058 7.500 12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.426 6.678 13.768 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.043 6.517 14.425 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.922 4.904 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.064 4.338 13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.514 4.530 13.655 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.427 5.233 12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.375 3.145 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.446 2.442 12.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.276 1.692 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.865 2.608 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.795 3.289 11.173 1.00 0.00 H new ATOM 1005 N GLU A 70 -11.610 9.406 11.981 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.058 10.737 12.173 1.00 0.00 C ATOM 1007 C GLU A 70 -12.070 11.782 11.729 1.00 0.00 C ATOM 1008 O GLU A 70 -12.966 11.485 10.937 1.00 0.00 O ATOM 1009 CB GLU A 70 -9.774 10.894 11.358 1.00 0.00 C ATOM 1010 CG GLU A 70 -8.687 9.897 11.719 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.134 10.119 13.111 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -7.219 10.959 13.266 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -8.605 9.458 14.055 1.00 0.00 O ATOM 0 H GLU A 70 -11.306 8.947 11.123 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.831 10.876 13.230 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.013 10.788 10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.388 11.904 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.088 8.886 11.648 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.876 9.970 10.994 1.00 0.00 H new ATOM 1020 N THR A 71 -11.941 12.995 12.240 1.00 0.00 N ATOM 1021 CA THR A 71 -12.805 14.073 11.804 1.00 0.00 C ATOM 1022 C THR A 71 -12.414 14.505 10.400 1.00 0.00 C ATOM 1023 O THR A 71 -11.294 14.232 9.961 1.00 0.00 O ATOM 1024 CB THR A 71 -12.744 15.301 12.741 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.514 16.016 12.550 1.00 0.00 O ATOM 1026 CG2 THR A 71 -12.860 14.874 14.193 1.00 0.00 C ATOM 0 H THR A 71 -11.254 13.254 12.949 1.00 0.00 H new ATOM 0 HA THR A 71 -13.826 13.691 11.823 1.00 0.00 H new ATOM 0 HB THR A 71 -13.582 15.954 12.495 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.490 16.792 13.148 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.815 15.753 14.836 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.809 14.361 14.347 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.039 14.201 14.441 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.308 15.182 9.700 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.021 15.633 8.345 1.00 0.00 C ATOM 1036 C HIS A 72 -11.747 16.474 8.316 1.00 0.00 C ATOM 1037 O HIS A 72 -10.926 16.343 7.408 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.204 16.430 7.792 1.00 0.00 C ATOM 1039 CG HIS A 72 -13.974 16.974 6.418 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -13.807 16.175 5.308 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.870 18.248 5.982 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.607 16.938 4.250 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.643 18.199 4.632 1.00 0.00 N ATOM 0 H HIS A 72 -14.235 15.432 10.044 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.865 14.758 7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.086 15.790 7.777 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.422 17.257 8.468 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -13.834 15.155 5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.951 19.140 6.586 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.442 16.588 3.242 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.576 17.315 9.327 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.380 18.139 9.441 1.00 0.00 C ATOM 1054 C GLN A 73 -9.133 17.270 9.575 1.00 0.00 C ATOM 1055 O GLN A 73 -8.137 17.491 8.886 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.504 19.078 10.649 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.222 19.832 10.992 1.00 0.00 C ATOM 1058 CD GLN A 73 -8.951 21.035 10.102 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -9.417 20.997 8.861 1.00 0.00 O flip ATOM 1060 NE2 GLN A 73 -8.328 22.004 10.537 1.00 0.00 N flip ATOM 0 H GLN A 73 -12.251 17.445 10.081 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.284 18.735 8.534 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.296 19.801 10.453 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.813 18.496 11.517 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.276 20.165 12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.379 19.144 10.922 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.984 22.000 11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.156 22.811 9.937 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.203 16.269 10.450 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.071 15.384 10.702 1.00 0.00 C ATOM 1071 C GLN A 74 -7.676 14.638 9.433 1.00 0.00 C ATOM 1072 O GLN A 74 -6.501 14.588 9.071 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.405 14.382 11.810 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.706 15.031 13.151 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.536 15.819 13.705 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.372 15.485 13.467 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.840 16.877 14.437 1.00 0.00 N ATOM 0 H GLN A 74 -10.036 16.051 10.998 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.230 15.999 11.024 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.266 13.788 11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.568 13.694 11.929 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.564 15.694 13.043 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.988 14.259 13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.817 17.115 14.608 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.098 17.455 14.831 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.673 14.083 8.752 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.445 13.306 7.537 1.00 0.00 C ATOM 1088 C VAL A 75 -7.752 14.144 6.463 1.00 0.00 C ATOM 1089 O VAL A 75 -6.756 13.718 5.877 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.767 12.743 6.973 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.506 11.884 5.748 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.505 11.942 8.034 1.00 0.00 C ATOM 0 H VAL A 75 -9.654 14.157 9.023 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.795 12.475 7.811 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.394 13.584 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.451 11.497 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.023 12.486 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.856 11.052 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.434 11.554 7.616 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.880 11.112 8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.730 12.585 8.884 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.265 15.349 6.226 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.703 16.224 5.200 1.00 0.00 C ATOM 1104 C VAL A 76 -6.282 16.646 5.573 1.00 0.00 C ATOM 1105 O VAL A 76 -5.404 16.742 4.712 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.582 17.477 4.969 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.984 18.380 3.901 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.992 17.068 4.576 1.00 0.00 C ATOM 0 H VAL A 76 -9.063 15.740 6.726 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.676 15.656 4.270 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.620 18.036 5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.624 19.251 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.992 18.705 4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.908 17.832 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.598 17.960 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.958 16.483 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.432 16.467 5.372 1.00 0.00 H new ATOM 1118 N SER A 77 -6.053 16.868 6.863 1.00 0.00 N ATOM 1119 CA SER A 77 -4.734 17.249 7.351 1.00 0.00 C ATOM 1120 C SER A 77 -3.716 16.142 7.085 1.00 0.00 C ATOM 1121 O SER A 77 -2.553 16.417 6.797 1.00 0.00 O ATOM 1122 CB SER A 77 -4.789 17.571 8.846 1.00 0.00 C ATOM 1123 OG SER A 77 -5.724 18.607 9.106 1.00 0.00 O ATOM 0 H SER A 77 -6.765 16.790 7.589 1.00 0.00 H new ATOM 0 HA SER A 77 -4.418 18.142 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.066 16.677 9.405 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.801 17.871 9.194 1.00 0.00 H new ATOM 0 HG SER A 77 -6.634 18.259 9.005 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.166 14.891 7.172 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.304 13.742 6.911 1.00 0.00 C ATOM 1131 C ARG A 78 -2.905 13.674 5.441 1.00 0.00 C ATOM 1132 O ARG A 78 -1.774 13.315 5.111 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.005 12.445 7.305 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.338 12.346 8.781 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.977 11.009 9.096 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.222 10.818 10.522 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.595 9.900 11.256 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.556 9.250 10.755 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -4.969 9.671 12.505 1.00 0.00 N ATOM 0 H ARG A 78 -5.125 14.648 7.422 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.404 13.865 7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.926 12.352 6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.370 11.603 7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.431 12.470 9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.014 13.153 9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.920 10.927 8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.332 10.209 8.733 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.908 11.418 10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.236 9.452 9.808 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.075 8.547 11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.742 10.199 12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.485 8.967 13.061 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.839 14.011 4.563 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.567 14.032 3.129 1.00 0.00 C ATOM 1155 C ILE A 79 -2.584 15.154 2.803 1.00 0.00 C ATOM 1156 O ILE A 79 -1.674 14.993 1.989 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.864 14.227 2.312 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.915 13.189 2.722 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.574 14.122 0.821 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.246 13.363 2.020 1.00 0.00 C ATOM 0 H ILE A 79 -4.792 14.274 4.816 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.133 13.070 2.856 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.257 15.222 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.530 12.191 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.071 13.249 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.498 14.262 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.856 14.891 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.160 13.138 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.940 12.594 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.654 14.347 2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.104 13.273 0.943 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.776 16.286 3.464 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.893 17.434 3.311 1.00 0.00 C ATOM 1174 C ARG A 80 -0.536 17.171 3.968 1.00 0.00 C ATOM 1175 O ARG A 80 0.470 17.770 3.595 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.548 18.677 3.915 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.780 19.141 3.150 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.566 20.192 3.920 1.00 0.00 C ATOM 1179 NE ARG A 80 -3.779 21.391 4.202 1.00 0.00 N ATOM 1180 CZ ARG A 80 -3.638 21.916 5.416 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -4.193 21.322 6.470 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -2.932 23.026 5.579 1.00 0.00 N ATOM 0 H ARG A 80 -3.544 16.435 4.118 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.724 17.603 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.828 18.466 4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.819 19.487 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.476 19.549 2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.423 18.285 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.451 20.470 3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.916 19.763 4.859 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.310 21.852 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.728 20.462 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.083 21.727 7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.497 23.477 4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.823 23.429 6.510 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.529 16.272 4.952 1.00 0.00 N ATOM 1197 CA ALA A 81 0.688 15.904 5.676 1.00 0.00 C ATOM 1198 C ALA A 81 1.734 15.307 4.739 1.00 0.00 C ATOM 1199 O ALA A 81 2.930 15.321 5.035 1.00 0.00 O ATOM 1200 CB ALA A 81 0.363 14.919 6.791 1.00 0.00 C ATOM 0 H ALA A 81 -1.364 15.780 5.269 1.00 0.00 H new ATOM 0 HA ALA A 81 1.104 16.813 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.278 14.654 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.340 15.376 7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.082 14.020 6.364 1.00 0.00 H new ATOM 1206 N ALA A 82 1.282 14.771 3.615 1.00 0.00 N ATOM 1207 CA ALA A 82 2.186 14.236 2.614 1.00 0.00 C ATOM 1208 C ALA A 82 2.748 15.368 1.761 1.00 0.00 C ATOM 1209 O ALA A 82 2.010 16.081 1.078 1.00 0.00 O ATOM 1210 CB ALA A 82 1.470 13.212 1.755 1.00 0.00 C ATOM 0 H ALA A 82 0.293 14.696 3.375 1.00 0.00 H new ATOM 0 HA ALA A 82 3.017 13.738 3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.159 12.818 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.111 12.397 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.624 13.684 1.255 1.00 0.00 H new ATOM 1216 N LEU A 83 4.059 15.540 1.823 1.00 0.00 N ATOM 1217 CA LEU A 83 4.719 16.628 1.121 1.00 0.00 C ATOM 1218 C LEU A 83 4.700 16.401 -0.387 1.00 0.00 C ATOM 1219 O LEU A 83 4.441 17.328 -1.154 1.00 0.00 O ATOM 1220 CB LEU A 83 6.158 16.787 1.614 1.00 0.00 C ATOM 1221 CG LEU A 83 6.311 17.050 3.115 1.00 0.00 C ATOM 1222 CD1 LEU A 83 7.781 17.148 3.492 1.00 0.00 C ATOM 1223 CD2 LEU A 83 5.573 18.319 3.519 1.00 0.00 C ATOM 0 H LEU A 83 4.688 14.938 2.354 1.00 0.00 H new ATOM 0 HA LEU A 83 4.170 17.546 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.713 15.883 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.623 17.609 1.069 1.00 0.00 H new ATOM 0 HG LEU A 83 5.870 16.212 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.870 17.335 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.283 16.213 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.244 17.966 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.695 18.486 4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.981 19.168 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.513 18.213 3.287 1.00 0.00 H new ATOM 1235 N ASN A 84 4.959 15.169 -0.813 1.00 0.00 N ATOM 1236 CA ASN A 84 4.993 14.866 -2.238 1.00 0.00 C ATOM 1237 C ASN A 84 4.026 13.742 -2.598 1.00 0.00 C ATOM 1238 O ASN A 84 3.115 13.942 -3.395 1.00 0.00 O ATOM 1239 CB ASN A 84 6.413 14.502 -2.682 1.00 0.00 C ATOM 1240 CG ASN A 84 6.526 14.344 -4.190 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.772 15.313 -4.909 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.360 13.124 -4.678 1.00 0.00 N ATOM 0 H ASN A 84 5.146 14.375 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 84 4.677 15.764 -2.768 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.105 15.275 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.715 13.573 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.435 12.962 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.157 12.347 -4.050 1.00 0.00 H new ATOM 1249 N ALA A 85 4.211 12.564 -2.019 1.00 0.00 N ATOM 1250 CA ALA A 85 3.368 11.425 -2.365 1.00 0.00 C ATOM 1251 C ALA A 85 2.510 10.987 -1.185 1.00 0.00 C ATOM 1252 O ALA A 85 2.996 10.867 -0.058 1.00 0.00 O ATOM 1253 CB ALA A 85 4.222 10.266 -2.859 1.00 0.00 C ATOM 0 H ALA A 85 4.926 12.372 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 85 2.697 11.737 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.579 9.423 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.780 10.576 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.919 9.968 -2.076 1.00 0.00 H new ATOM 1259 N VAL A 86 1.232 10.739 -1.450 1.00 0.00 N ATOM 1260 CA VAL A 86 0.306 10.310 -0.412 1.00 0.00 C ATOM 1261 C VAL A 86 -0.454 9.064 -0.858 1.00 0.00 C ATOM 1262 O VAL A 86 -1.000 9.013 -1.955 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.691 11.430 -0.019 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.594 11.815 -1.181 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.512 11.019 1.195 1.00 0.00 C ATOM 0 H VAL A 86 0.815 10.828 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 86 0.899 10.074 0.471 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.107 12.312 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.278 12.603 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.986 12.174 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.166 10.944 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.205 11.820 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.073 10.113 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.846 10.829 2.037 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.464 8.052 -0.014 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.124 6.802 -0.346 1.00 0.00 C ATOM 1277 C ARG A 87 -2.503 6.742 0.293 1.00 0.00 C ATOM 1278 O ARG A 87 -2.630 6.650 1.513 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.259 5.625 0.102 1.00 0.00 C ATOM 1280 CG ARG A 87 1.127 5.657 -0.519 1.00 0.00 C ATOM 1281 CD ARG A 87 2.051 4.613 0.079 1.00 0.00 C ATOM 1282 NE ARG A 87 3.398 4.712 -0.481 1.00 0.00 N ATOM 1283 CZ ARG A 87 4.515 4.741 0.242 1.00 0.00 C ATOM 1284 NH1 ARG A 87 4.455 4.672 1.568 1.00 0.00 N ATOM 1285 NH2 ARG A 87 5.692 4.845 -0.365 1.00 0.00 N ATOM 0 H ARG A 87 -0.024 8.069 0.906 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.255 6.743 -1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.168 5.637 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.753 4.691 -0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.045 5.493 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.562 6.647 -0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.094 4.740 1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.649 3.618 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 87 3.488 4.762 -1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.551 4.597 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.313 4.694 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.738 4.902 -1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.550 4.868 0.186 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.529 6.813 -0.536 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.904 6.803 -0.067 1.00 0.00 C ATOM 1301 C LEU A 88 -5.556 5.467 -0.395 1.00 0.00 C ATOM 1302 O LEU A 88 -5.552 5.042 -1.547 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.705 7.931 -0.734 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.128 9.344 -0.590 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -6.083 10.365 -1.190 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -4.853 9.662 0.873 1.00 0.00 C ATOM 0 H LEU A 88 -3.434 6.879 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.900 6.954 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.797 7.705 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.713 7.928 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.184 9.392 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.662 11.365 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.232 10.147 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.040 10.316 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.444 10.669 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.782 9.600 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.136 8.945 1.273 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.089 4.795 0.612 1.00 0.00 N ATOM 1319 CA LEU A 89 -6.833 3.570 0.379 1.00 0.00 C ATOM 1320 C LEU A 89 -8.306 3.905 0.218 1.00 0.00 C ATOM 1321 O LEU A 89 -8.915 4.514 1.102 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.643 2.569 1.519 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.254 1.189 1.260 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.571 0.514 0.083 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.159 0.317 2.498 1.00 0.00 C ATOM 0 H LEU A 89 -6.021 5.075 1.591 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.454 3.104 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.576 2.450 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.083 2.983 2.426 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.308 1.325 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.019 -0.465 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.694 1.127 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.509 0.395 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.599 -0.658 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.112 0.191 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.697 0.791 3.319 1.00 0.00 H new ATOM 1337 N VAL A 90 -8.873 3.509 -0.903 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.235 3.901 -1.249 1.00 0.00 C ATOM 1339 C VAL A 90 -11.025 2.730 -1.810 1.00 0.00 C ATOM 1340 O VAL A 90 -10.455 1.779 -2.355 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.262 5.068 -2.266 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.766 6.354 -1.625 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.436 4.739 -3.503 1.00 0.00 C ATOM 0 H VAL A 90 -8.416 2.915 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.701 4.236 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.297 5.213 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.794 7.160 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.406 6.610 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.743 6.216 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.474 5.577 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.402 4.556 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.841 3.849 -3.985 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.338 2.801 -1.661 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.224 1.767 -2.158 1.00 0.00 C ATOM 1355 C VAL A 91 -14.556 2.383 -2.581 1.00 0.00 C ATOM 1356 O VAL A 91 -15.022 3.349 -1.970 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.449 0.666 -1.088 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.150 1.221 0.144 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.221 -0.511 -1.670 1.00 0.00 C ATOM 0 H VAL A 91 -12.815 3.573 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.758 1.300 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.469 0.307 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.291 0.423 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.541 2.011 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.120 1.628 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.365 -1.268 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.192 -0.168 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.659 -0.940 -2.500 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.137 1.850 -3.650 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.446 2.290 -4.118 1.00 0.00 C ATOM 1371 C ASP A 92 -17.502 2.031 -3.057 1.00 0.00 C ATOM 1372 O ASP A 92 -17.631 0.910 -2.564 1.00 0.00 O ATOM 1373 CB ASP A 92 -16.843 1.547 -5.396 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.098 2.020 -6.622 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -14.925 1.626 -6.804 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.696 2.772 -7.422 1.00 0.00 O ATOM 0 H ASP A 92 -14.719 1.108 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.383 3.359 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -16.662 0.481 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -17.913 1.670 -5.561 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.280 3.069 -2.704 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.363 2.962 -1.717 1.00 0.00 C ATOM 1383 C PRO A 93 -20.380 1.895 -2.099 1.00 0.00 C ATOM 1384 O PRO A 93 -21.006 1.280 -1.236 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.009 4.353 -1.735 1.00 0.00 C ATOM 1386 CG PRO A 93 -18.946 5.256 -2.247 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.156 4.441 -3.231 1.00 0.00 C ATOM 0 HA PRO A 93 -18.993 2.669 -0.735 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -20.889 4.373 -2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.336 4.651 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.377 6.136 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.311 5.612 -1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.561 4.524 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.116 4.763 -3.278 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.533 1.685 -3.402 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.426 0.658 -3.920 1.00 0.00 C ATOM 1397 C GLU A 94 -20.867 -0.729 -3.635 1.00 0.00 C ATOM 1398 O GLU A 94 -21.582 -1.621 -3.180 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.612 0.828 -5.427 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.123 2.197 -5.830 1.00 0.00 C ATOM 1401 CD GLU A 94 -23.434 2.546 -5.162 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -24.455 1.891 -5.463 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -23.452 3.480 -4.341 1.00 0.00 O ATOM 0 H GLU A 94 -20.046 2.218 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.390 0.764 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.659 0.645 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.309 0.070 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.377 2.949 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.250 2.230 -6.912 1.00 0.00 H new ATOM 1410 N THR A 95 -19.581 -0.896 -3.904 1.00 0.00 N ATOM 1411 CA THR A 95 -18.919 -2.176 -3.739 1.00 0.00 C ATOM 1412 C THR A 95 -18.742 -2.525 -2.259 1.00 0.00 C ATOM 1413 O THR A 95 -18.814 -3.691 -1.881 1.00 0.00 O ATOM 1414 CB THR A 95 -17.546 -2.159 -4.433 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.684 -1.652 -5.768 1.00 0.00 O ATOM 1416 CG2 THR A 95 -16.945 -3.551 -4.483 1.00 0.00 C ATOM 0 H THR A 95 -18.972 -0.151 -4.241 1.00 0.00 H new ATOM 0 HA THR A 95 -19.550 -2.937 -4.199 1.00 0.00 H new ATOM 0 HB THR A 95 -16.882 -1.514 -3.858 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.807 -1.641 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.975 -3.511 -4.978 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.819 -3.930 -3.469 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.609 -4.214 -5.038 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.537 -1.503 -1.426 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.270 -1.705 0.003 1.00 0.00 C ATOM 1426 C ASP A 96 -19.409 -2.453 0.688 1.00 0.00 C ATOM 1427 O ASP A 96 -19.173 -3.299 1.549 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.043 -0.363 0.705 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.770 -0.523 2.193 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.603 -0.754 2.565 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -18.724 -0.409 2.998 1.00 0.00 O ATOM 0 H ASP A 96 -18.550 -0.525 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.367 -2.311 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.203 0.150 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.920 0.269 0.566 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.638 -2.159 0.280 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.809 -2.817 0.846 1.00 0.00 C ATOM 1438 C GLU A 97 -21.722 -4.331 0.627 1.00 0.00 C ATOM 1439 O GLU A 97 -22.067 -5.126 1.507 1.00 0.00 O ATOM 1440 CB GLU A 97 -23.083 -2.242 0.217 1.00 0.00 C ATOM 1441 CG GLU A 97 -24.367 -2.716 0.878 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.588 -1.968 0.384 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -26.189 -2.396 -0.625 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.962 -0.954 1.008 1.00 0.00 O ATOM 0 H GLU A 97 -20.849 -1.469 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.842 -2.633 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -23.041 -1.154 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.109 -2.512 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -24.497 -3.781 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -24.282 -2.593 1.958 1.00 0.00 H new ATOM 1451 N GLN A 98 -21.235 -4.715 -0.547 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.994 -6.116 -0.871 1.00 0.00 C ATOM 1453 C GLN A 98 -19.805 -6.648 -0.070 1.00 0.00 C ATOM 1454 O GLN A 98 -19.815 -7.786 0.400 1.00 0.00 O ATOM 1455 CB GLN A 98 -20.729 -6.269 -2.376 1.00 0.00 C ATOM 1456 CG GLN A 98 -20.420 -7.691 -2.821 1.00 0.00 C ATOM 1457 CD GLN A 98 -21.572 -8.650 -2.598 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -22.437 -8.809 -3.460 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -21.587 -9.308 -1.449 1.00 0.00 N ATOM 0 H GLN A 98 -20.997 -4.067 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.879 -6.695 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -21.601 -5.912 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.894 -5.626 -2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -20.160 -7.685 -3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -19.545 -8.052 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -20.852 -9.148 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -22.334 -9.975 -1.253 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.792 -5.801 0.084 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.526 -6.191 0.705 1.00 0.00 C ATOM 1470 C LEU A 99 -17.694 -6.551 2.173 1.00 0.00 C ATOM 1471 O LEU A 99 -17.064 -7.489 2.660 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.497 -5.076 0.565 1.00 0.00 C ATOM 1473 CG LEU A 99 -16.190 -4.656 -0.870 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.811 -4.042 -0.941 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -16.301 -5.839 -1.819 1.00 0.00 C ATOM 0 H LEU A 99 -18.823 -4.827 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 99 -17.175 -7.080 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.852 -4.204 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.570 -5.397 1.040 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.924 -3.912 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.598 -3.744 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.769 -3.167 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -14.070 -4.772 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.078 -5.513 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -15.592 -6.612 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -17.313 -6.242 -1.782 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.548 -5.814 2.871 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.785 -6.058 4.290 1.00 0.00 C ATOM 1489 C GLN A 100 -19.253 -7.494 4.515 1.00 0.00 C ATOM 1490 O GLN A 100 -18.898 -8.128 5.507 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.827 -5.078 4.835 1.00 0.00 C ATOM 1492 CG GLN A 100 -19.434 -3.615 4.688 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.490 -2.664 5.217 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -21.224 -2.981 6.155 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -20.579 -1.488 4.620 1.00 0.00 N ATOM 0 H GLN A 100 -19.088 -5.043 2.479 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.847 -5.907 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.772 -5.244 4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -19.998 -5.294 5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.497 -3.441 5.218 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.251 -3.397 3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.954 -1.260 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.272 -0.808 4.933 1.00 0.00 H new ATOM 1504 N LYS A 101 -20.054 -7.998 3.582 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.567 -9.361 3.656 1.00 0.00 C ATOM 1506 C LYS A 101 -19.478 -10.397 3.374 1.00 0.00 C ATOM 1507 O LYS A 101 -19.604 -11.563 3.758 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.741 -9.536 2.692 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.925 -8.649 3.041 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.375 -8.880 4.477 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.464 -7.905 4.893 1.00 0.00 C ATOM 1512 NZ LYS A 101 -24.879 -8.124 6.304 1.00 0.00 N ATOM 0 H LYS A 101 -20.364 -7.479 2.760 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.916 -9.529 4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -21.410 -9.310 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -22.059 -10.579 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.652 -7.602 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.751 -8.854 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.742 -9.901 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.521 -8.777 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -24.105 -6.883 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -25.327 -8.019 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.623 -7.443 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -25.244 -9.092 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.060 -7.991 6.931 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.412 -9.972 2.710 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.317 -10.875 2.370 1.00 0.00 C ATOM 1528 C LEU A 102 -16.416 -11.093 3.576 1.00 0.00 C ATOM 1529 O LEU A 102 -16.007 -12.216 3.866 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.510 -10.333 1.187 1.00 0.00 C ATOM 1531 CG LEU A 102 -17.323 -10.061 -0.083 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -16.421 -9.575 -1.204 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -18.080 -11.307 -0.512 1.00 0.00 C ATOM 0 H LEU A 102 -18.281 -9.010 2.396 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.744 -11.834 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -16.023 -9.407 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.720 -11.045 0.949 1.00 0.00 H new ATOM 0 HG LEU A 102 -18.048 -9.277 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.018 -9.388 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -15.926 -8.653 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -15.671 -10.335 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -18.651 -11.093 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -17.373 -12.112 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -18.760 -11.611 0.283 1.00 0.00 H new ATOM 1545 N GLY A 103 -16.118 -10.003 4.277 1.00 0.00 N ATOM 1546 CA GLY A 103 -15.424 -10.090 5.551 1.00 0.00 C ATOM 1547 C GLY A 103 -13.952 -10.424 5.425 1.00 0.00 C ATOM 1548 O GLY A 103 -13.295 -10.727 6.423 1.00 0.00 O ATOM 0 H GLY A 103 -16.347 -9.053 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.528 -9.140 6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.908 -10.849 6.166 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.428 -10.370 4.214 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.019 -10.658 3.987 1.00 0.00 C ATOM 1554 C VAL A 104 -11.164 -9.454 4.392 1.00 0.00 C ATOM 1555 O VAL A 104 -11.450 -8.321 4.007 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.746 -11.017 2.507 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -10.335 -11.556 2.335 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -12.768 -12.025 1.999 1.00 0.00 C ATOM 0 H VAL A 104 -13.953 -10.130 3.373 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.752 -11.519 4.601 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.839 -10.106 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.165 -11.802 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.616 -10.801 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.211 -12.452 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.557 -12.263 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.711 -12.934 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.769 -11.600 2.079 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.121 -9.701 5.176 1.00 0.00 N ATOM 1569 CA GLN A 105 -9.247 -8.630 5.658 1.00 0.00 C ATOM 1570 C GLN A 105 -8.295 -8.162 4.554 1.00 0.00 C ATOM 1571 O GLN A 105 -7.077 -8.239 4.685 1.00 0.00 O ATOM 1572 CB GLN A 105 -8.449 -9.109 6.873 1.00 0.00 C ATOM 1573 CG GLN A 105 -9.308 -9.505 8.068 1.00 0.00 C ATOM 1574 CD GLN A 105 -10.034 -8.331 8.707 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -10.398 -7.360 8.041 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -10.239 -8.409 10.013 1.00 0.00 N ATOM 0 H GLN A 105 -9.857 -10.634 5.494 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.871 -7.786 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.839 -9.963 6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.764 -8.318 7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.041 -10.246 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.677 -9.983 8.817 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.923 -9.229 10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.713 -7.649 10.501 1.00 0.00 H new ATOM 1585 N VAL A 106 -8.864 -7.670 3.468 1.00 0.00 N ATOM 1586 CA VAL A 106 -8.083 -7.257 2.310 1.00 0.00 C ATOM 1587 C VAL A 106 -7.495 -5.863 2.487 1.00 0.00 C ATOM 1588 O VAL A 106 -6.569 -5.484 1.774 1.00 0.00 O ATOM 1589 CB VAL A 106 -8.938 -7.274 1.033 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -9.390 -8.689 0.719 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -10.128 -6.341 1.181 1.00 0.00 C ATOM 0 H VAL A 106 -9.871 -7.545 3.361 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.267 -7.974 2.217 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.332 -6.919 0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.995 -8.685 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.517 -9.325 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.983 -9.074 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.724 -6.364 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.741 -6.664 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.774 -5.325 1.358 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.020 -5.121 3.455 1.00 0.00 N ATOM 1602 CA ARG A 107 -7.645 -3.721 3.633 1.00 0.00 C ATOM 1603 C ARG A 107 -6.163 -3.573 3.965 1.00 0.00 C ATOM 1604 O ARG A 107 -5.482 -2.727 3.397 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.507 -3.061 4.717 1.00 0.00 C ATOM 1606 CG ARG A 107 -8.616 -3.866 6.003 1.00 0.00 C ATOM 1607 CD ARG A 107 -9.268 -3.061 7.114 1.00 0.00 C ATOM 1608 NE ARG A 107 -8.417 -1.959 7.556 1.00 0.00 N ATOM 1609 CZ ARG A 107 -8.198 -1.654 8.833 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -8.843 -2.306 9.795 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -7.355 -0.682 9.143 1.00 0.00 N ATOM 0 H ARG A 107 -8.705 -5.463 4.128 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.825 -3.212 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.091 -2.081 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.508 -2.896 4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.197 -4.770 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.623 -4.184 6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.222 -2.666 6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.484 -3.715 7.959 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.963 -1.389 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.507 -3.042 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.673 -2.071 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.875 -0.168 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.186 -0.446 10.121 1.00 0.00 H new ATOM 1625 N GLU A 108 -5.657 -4.404 4.863 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.248 -4.348 5.210 1.00 0.00 C ATOM 1627 C GLU A 108 -3.544 -5.662 4.919 1.00 0.00 C ATOM 1628 O GLU A 108 -2.452 -5.669 4.370 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.056 -4.013 6.680 1.00 0.00 C ATOM 1630 CG GLU A 108 -4.584 -2.656 7.090 1.00 0.00 C ATOM 1631 CD GLU A 108 -4.279 -2.385 8.546 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -5.099 -2.759 9.412 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -3.189 -1.858 8.837 1.00 0.00 O ATOM 0 H GLU A 108 -6.194 -5.116 5.358 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.811 -3.563 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.549 -4.777 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.993 -4.061 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.135 -1.882 6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.660 -2.613 6.924 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.165 -6.772 5.292 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.506 -8.071 5.204 1.00 0.00 C ATOM 1642 C GLU A 109 -3.177 -8.421 3.754 1.00 0.00 C ATOM 1643 O GLU A 109 -2.106 -8.953 3.458 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.372 -9.169 5.825 1.00 0.00 C ATOM 1645 CG GLU A 109 -5.013 -8.778 7.151 1.00 0.00 C ATOM 1646 CD GLU A 109 -4.036 -8.179 8.143 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -3.211 -8.930 8.702 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -4.104 -6.954 8.375 1.00 0.00 O ATOM 0 H GLU A 109 -5.117 -6.802 5.656 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.574 -8.005 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.157 -9.440 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.760 -10.058 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.812 -8.061 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.475 -9.659 7.596 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.109 -8.129 2.853 1.00 0.00 N ATOM 1656 CA LEU A 110 -3.891 -8.362 1.430 1.00 0.00 C ATOM 1657 C LEU A 110 -3.062 -7.239 0.813 1.00 0.00 C ATOM 1658 O LEU A 110 -2.148 -7.490 0.026 1.00 0.00 O ATOM 1659 CB LEU A 110 -5.223 -8.491 0.689 1.00 0.00 C ATOM 1660 CG LEU A 110 -5.097 -8.706 -0.821 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -4.324 -9.983 -1.117 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.472 -8.747 -1.472 1.00 0.00 C ATOM 0 H LEU A 110 -5.020 -7.732 3.082 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.341 -9.298 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.781 -9.324 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.810 -7.590 0.866 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.544 -7.867 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.245 -10.119 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.325 -9.912 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.847 -10.834 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.362 -8.901 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.052 -9.566 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.988 -7.804 -1.291 1.00 0.00 H new ATOM 1850 N THR B 3 -13.714 20.833 0.331 1.00 0.00 N ATOM 1851 CA THR B 3 -12.398 21.435 0.190 1.00 0.00 C ATOM 1852 C THR B 3 -11.622 20.740 -0.926 1.00 0.00 C ATOM 1853 O THR B 3 -11.861 19.564 -1.223 1.00 0.00 O ATOM 1854 CB THR B 3 -11.595 21.368 1.516 1.00 0.00 C ATOM 1855 OG1 THR B 3 -10.376 22.120 1.403 1.00 0.00 O ATOM 1856 CG2 THR B 3 -11.267 19.927 1.892 1.00 0.00 C ATOM 0 HA THR B 3 -12.537 22.486 -0.064 1.00 0.00 H new ATOM 0 HB THR B 3 -12.218 21.800 2.299 1.00 0.00 H new ATOM 0 HG1 THR B 3 -9.881 22.070 2.247 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.704 19.914 2.825 1.00 0.00 H new ATOM 0 HG22 THR B 3 -12.192 19.364 2.018 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.670 19.472 1.102 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.711 21.469 -1.554 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.898 20.916 -2.623 1.00 0.00 C ATOM 1866 C ARG B 4 -8.501 20.605 -2.113 1.00 0.00 C ATOM 1867 O ARG B 4 -7.877 21.429 -1.444 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.806 21.892 -3.797 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.168 21.294 -5.045 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.042 22.169 -5.574 1.00 0.00 C ATOM 1871 NE ARG B 4 -6.880 22.150 -4.688 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.288 23.238 -4.199 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -6.761 24.448 -4.482 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.227 23.105 -3.418 1.00 0.00 N ATOM 0 H ARG B 4 -10.517 22.447 -1.340 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.372 19.997 -2.966 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.808 22.243 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.230 22.764 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -8.781 20.301 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.926 21.170 -5.818 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -7.749 21.825 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -8.398 23.193 -5.685 1.00 0.00 H new ATOM 0 HE ARG B 4 -6.496 21.242 -4.426 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.583 24.548 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -6.302 25.276 -4.103 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -4.870 22.175 -3.196 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -4.766 23.932 -3.038 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.029 19.413 -2.416 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.675 19.017 -2.083 1.00 0.00 C ATOM 1890 C LEU B 5 -5.746 19.367 -3.233 1.00 0.00 C ATOM 1891 O LEU B 5 -5.036 20.387 -3.142 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.609 17.514 -1.790 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.009 17.087 -0.370 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.148 17.791 0.665 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.487 17.353 -0.109 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.759 18.637 -4.243 1.00 0.00 O ATOM 0 H LEU B 5 -8.570 18.694 -2.898 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.360 19.554 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.255 16.997 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.591 17.172 -1.978 1.00 0.00 H new ATOM 0 HG LEU B 5 -6.842 16.013 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.448 17.474 1.664 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.101 17.535 0.502 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.276 18.869 0.572 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -8.740 17.040 0.904 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.690 18.418 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.089 16.791 -0.823 1.00 0.00 H new