USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 631 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 Single : A 11 GLN : amide:sc= -0.0452 X(o=-0.045,f=-0.3) USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= -0.289 (180deg=-2.47!) USER MOD Single : A 17 ASN : amide:sc= -5.2! C(o=-5.2!,f=-6.8!) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0.13 (180deg=0.13) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.164 USER MOD Single : A 27 ASN : amide:sc= 0.088 K(o=0.088,f=-5.8!) USER MOD Single : A 34 TYR OH : rot -21:sc= 0.122 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= -0.705 USER MOD Single : A 47 THR OG1 : rot -122:sc= 1.09 USER MOD Single : A 57 ASN : amide:sc= -0.672 K(o=-0.67,f=-4.7!) USER MOD Single : A 59 ASN : amide:sc= -0.444 K(o=-0.44,f=-1.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 156:sc= 1.45 USER MOD Single : A 64 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.35) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.023) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 158:sc= -1.74! (180deg=-2.09!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.710 7.879 -5.184 1.00 0.00 N ATOM 67 CA LEU A 8 0.892 7.231 -4.174 1.00 0.00 C ATOM 68 C LEU A 8 0.725 5.752 -4.531 1.00 0.00 C ATOM 69 O LEU A 8 0.976 4.878 -3.702 1.00 0.00 O ATOM 70 CB LEU A 8 -0.434 7.974 -3.999 1.00 0.00 C ATOM 71 CG LEU A 8 -0.332 9.428 -3.532 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.556 10.232 -3.971 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.108 9.502 -2.020 1.00 0.00 C ATOM 0 HA LEU A 8 1.384 7.272 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.966 7.955 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.044 7.425 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 8 0.537 9.881 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.458 11.261 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.629 10.219 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.455 9.790 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.039 10.546 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.943 9.027 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.817 8.986 -1.764 1.00 0.00 H new ATOM 85 N ARG A 9 0.303 5.518 -5.764 1.00 0.00 N ATOM 86 CA ARG A 9 0.100 4.160 -6.241 1.00 0.00 C ATOM 87 C ARG A 9 1.268 3.268 -5.815 1.00 0.00 C ATOM 88 O ARG A 9 1.060 2.197 -5.247 1.00 0.00 O ATOM 89 CB ARG A 9 -0.029 4.125 -7.765 1.00 0.00 C ATOM 90 CG ARG A 9 -0.615 2.792 -8.235 1.00 0.00 C ATOM 91 CD ARG A 9 -0.216 2.498 -9.682 1.00 0.00 C ATOM 92 NE ARG A 9 -0.888 3.449 -10.596 1.00 0.00 N ATOM 93 CZ ARG A 9 -0.532 3.642 -11.874 1.00 0.00 C ATOM 94 NH1 ARG A 9 0.489 2.950 -12.396 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.198 4.526 -12.628 1.00 0.00 N ATOM 0 H ARG A 9 0.096 6.246 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.825 3.789 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.666 4.944 -8.099 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.950 4.277 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.265 1.988 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.701 2.819 -8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.865 2.577 -9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.489 1.476 -9.943 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.671 3.991 -10.231 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.995 2.276 -11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.760 3.097 -13.368 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.976 5.052 -12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.927 4.673 -13.600 1.00 0.00 H new ATOM 109 N GLU A 10 2.471 3.742 -6.105 1.00 0.00 N ATOM 110 CA GLU A 10 3.671 3.001 -5.759 1.00 0.00 C ATOM 111 C GLU A 10 3.776 2.839 -4.240 1.00 0.00 C ATOM 112 O GLU A 10 4.240 1.810 -3.754 1.00 0.00 O ATOM 113 CB GLU A 10 4.918 3.682 -6.325 1.00 0.00 C ATOM 114 CG GLU A 10 5.469 2.910 -7.526 1.00 0.00 C ATOM 115 CD GLU A 10 6.503 1.872 -7.084 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.535 2.302 -6.527 1.00 0.00 O ATOM 117 OE2 GLU A 10 6.236 0.672 -7.312 1.00 0.00 O ATOM 0 H GLU A 10 2.640 4.631 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 10 3.604 2.009 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.675 4.702 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.682 3.750 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.652 2.414 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.925 3.605 -8.231 1.00 0.00 H new ATOM 124 N GLN A 11 3.336 3.871 -3.536 1.00 0.00 N ATOM 125 CA GLN A 11 3.375 3.856 -2.084 1.00 0.00 C ATOM 126 C GLN A 11 2.397 2.813 -1.537 1.00 0.00 C ATOM 127 O GLN A 11 2.722 2.082 -0.603 1.00 0.00 O ATOM 128 CB GLN A 11 3.073 5.243 -1.513 1.00 0.00 C ATOM 129 CG GLN A 11 4.101 6.269 -1.991 1.00 0.00 C ATOM 130 CD GLN A 11 4.306 7.369 -0.947 1.00 0.00 C ATOM 131 OE1 GLN A 11 4.492 7.114 0.232 1.00 0.00 O ATOM 132 NE2 GLN A 11 4.262 8.601 -1.444 1.00 0.00 N ATOM 0 H GLN A 11 2.951 4.723 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 11 4.382 3.581 -1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.074 5.555 -1.817 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.076 5.200 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.050 5.772 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.769 6.712 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.102 8.743 -2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.388 9.404 -0.828 1.00 0.00 H new ATOM 141 N VAL A 12 1.220 2.779 -2.144 1.00 0.00 N ATOM 142 CA VAL A 12 0.193 1.838 -1.730 1.00 0.00 C ATOM 143 C VAL A 12 0.664 0.413 -2.024 1.00 0.00 C ATOM 144 O VAL A 12 0.405 -0.504 -1.247 1.00 0.00 O ATOM 145 CB VAL A 12 -1.134 2.180 -2.408 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.196 1.120 -2.104 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.618 3.573 -1.997 1.00 0.00 C ATOM 0 H VAL A 12 0.955 3.387 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 12 0.022 1.909 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.966 2.187 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.130 1.388 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.857 0.150 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.358 1.066 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.564 3.791 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.760 3.605 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.876 4.316 -2.288 1.00 0.00 H new ATOM 157 N LYS A 13 1.349 0.270 -3.150 1.00 0.00 N ATOM 158 CA LYS A 13 1.860 -1.027 -3.557 1.00 0.00 C ATOM 159 C LYS A 13 2.714 -1.611 -2.428 1.00 0.00 C ATOM 160 O LYS A 13 2.446 -2.713 -1.950 1.00 0.00 O ATOM 161 CB LYS A 13 2.598 -0.919 -4.892 1.00 0.00 C ATOM 162 CG LYS A 13 1.621 -1.011 -6.067 1.00 0.00 C ATOM 163 CD LYS A 13 2.335 -0.750 -7.395 1.00 0.00 C ATOM 164 CE LYS A 13 1.873 0.570 -8.015 1.00 0.00 C ATOM 165 NZ LYS A 13 2.763 0.957 -9.132 1.00 0.00 N ATOM 0 H LYS A 13 1.562 1.033 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 13 1.038 -1.722 -3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.139 0.026 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.339 -1.715 -4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.161 -1.999 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.817 -0.287 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.413 -0.723 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.137 -1.570 -8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.849 0.471 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.869 1.353 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.846 1.993 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.704 0.539 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.365 0.612 -10.029 1.00 0.00 H new ATOM 179 N GLU A 14 3.723 -0.848 -2.038 1.00 0.00 N ATOM 180 CA GLU A 14 4.617 -1.276 -0.975 1.00 0.00 C ATOM 181 C GLU A 14 3.834 -1.496 0.321 1.00 0.00 C ATOM 182 O GLU A 14 4.176 -2.370 1.116 1.00 0.00 O ATOM 183 CB GLU A 14 5.746 -0.265 -0.768 1.00 0.00 C ATOM 184 CG GLU A 14 6.846 -0.449 -1.815 1.00 0.00 C ATOM 185 CD GLU A 14 7.911 -1.432 -1.325 1.00 0.00 C ATOM 186 OE1 GLU A 14 7.712 -2.644 -1.553 1.00 0.00 O ATOM 187 OE2 GLU A 14 8.901 -0.948 -0.733 1.00 0.00 O ATOM 0 H GLU A 14 3.942 0.064 -2.438 1.00 0.00 H new ATOM 0 HA GLU A 14 5.071 -2.223 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.348 0.748 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.166 -0.383 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.410 -0.813 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.308 0.513 -2.035 1.00 0.00 H new ATOM 194 N LEU A 15 2.798 -0.690 0.494 1.00 0.00 N ATOM 195 CA LEU A 15 1.964 -0.785 1.679 1.00 0.00 C ATOM 196 C LEU A 15 1.388 -2.198 1.779 1.00 0.00 C ATOM 197 O LEU A 15 1.722 -2.946 2.696 1.00 0.00 O ATOM 198 CB LEU A 15 0.900 0.314 1.676 1.00 0.00 C ATOM 199 CG LEU A 15 -0.401 -0.009 2.414 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.189 0.005 3.930 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.525 0.935 1.985 1.00 0.00 C ATOM 0 H LEU A 15 2.517 0.033 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 15 2.558 -0.618 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.332 1.212 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.657 0.554 0.641 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.707 -1.019 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.129 -0.228 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.560 -0.740 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.153 0.992 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.438 0.683 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.242 1.963 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.697 0.832 0.914 1.00 0.00 H new ATOM 213 N PHE A 16 0.530 -2.522 0.822 1.00 0.00 N ATOM 214 CA PHE A 16 -0.097 -3.834 0.790 1.00 0.00 C ATOM 215 C PHE A 16 0.953 -4.944 0.866 1.00 0.00 C ATOM 216 O PHE A 16 0.734 -5.968 1.512 1.00 0.00 O ATOM 217 CB PHE A 16 -0.842 -3.941 -0.541 1.00 0.00 C ATOM 218 CG PHE A 16 -2.209 -3.253 -0.546 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.098 -3.499 0.454 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.535 -2.397 -1.551 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.365 -2.860 0.449 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.803 -1.758 -1.555 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.692 -2.004 -0.556 1.00 0.00 C ATOM 0 H PHE A 16 0.254 -1.899 0.063 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.768 -3.947 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.225 -3.506 -1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.976 -4.994 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.840 -4.180 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.830 -2.203 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.070 -3.054 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.061 -1.076 -2.352 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.657 -1.520 -0.561 1.00 0.00 H new ATOM 233 N ASN A 17 2.071 -4.706 0.195 1.00 0.00 N ATOM 234 CA ASN A 17 3.154 -5.672 0.177 1.00 0.00 C ATOM 235 C ASN A 17 3.783 -5.753 1.569 1.00 0.00 C ATOM 236 O ASN A 17 4.172 -6.831 2.016 1.00 0.00 O ATOM 237 CB ASN A 17 4.246 -5.258 -0.812 1.00 0.00 C ATOM 238 CG ASN A 17 3.702 -5.209 -2.241 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.516 -5.048 -2.476 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.633 -5.358 -3.180 1.00 0.00 N ATOM 0 H ASN A 17 2.249 -3.856 -0.341 1.00 0.00 H new ATOM 0 HA ASN A 17 2.741 -6.635 -0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.640 -4.280 -0.535 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.076 -5.963 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.371 -5.341 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.609 -5.489 -2.914 1.00 0.00 H new ATOM 247 N GLU A 18 3.863 -4.600 2.215 1.00 0.00 N ATOM 248 CA GLU A 18 4.438 -4.526 3.547 1.00 0.00 C ATOM 249 C GLU A 18 3.585 -5.321 4.538 1.00 0.00 C ATOM 250 O GLU A 18 4.114 -6.078 5.350 1.00 0.00 O ATOM 251 CB GLU A 18 4.593 -3.073 3.999 1.00 0.00 C ATOM 252 CG GLU A 18 5.713 -2.374 3.226 1.00 0.00 C ATOM 253 CD GLU A 18 6.972 -2.242 4.086 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.194 -3.156 4.911 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.684 -1.233 3.900 1.00 0.00 O ATOM 0 H GLU A 18 3.539 -3.708 1.841 1.00 0.00 H new ATOM 0 HA GLU A 18 5.433 -4.969 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.655 -2.540 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.809 -3.042 5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.943 -2.938 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.379 -1.386 2.909 1.00 0.00 H new ATOM 262 N LYS A 19 2.279 -5.120 4.439 1.00 0.00 N ATOM 263 CA LYS A 19 1.348 -5.809 5.316 1.00 0.00 C ATOM 264 C LYS A 19 1.507 -7.320 5.137 1.00 0.00 C ATOM 265 O LYS A 19 1.706 -8.047 6.109 1.00 0.00 O ATOM 266 CB LYS A 19 -0.079 -5.308 5.082 1.00 0.00 C ATOM 267 CG LYS A 19 -0.198 -3.819 5.409 1.00 0.00 C ATOM 268 CD LYS A 19 -0.241 -3.591 6.920 1.00 0.00 C ATOM 269 CE LYS A 19 0.185 -2.164 7.273 1.00 0.00 C ATOM 270 NZ LYS A 19 0.279 -1.998 8.740 1.00 0.00 N ATOM 0 H LYS A 19 1.844 -4.490 3.765 1.00 0.00 H new ATOM 0 HA LYS A 19 1.572 -5.587 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.363 -5.480 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.774 -5.876 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.647 -3.280 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.100 -3.413 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.249 -3.775 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.416 -4.304 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.148 -1.942 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.534 -1.453 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.586 -1.029 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.652 -2.173 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.970 -2.675 9.122 1.00 0.00 H new ATOM 284 N TYR A 20 1.412 -7.749 3.886 1.00 0.00 N ATOM 285 CA TYR A 20 1.543 -9.159 3.567 1.00 0.00 C ATOM 286 C TYR A 20 2.763 -9.768 4.261 1.00 0.00 C ATOM 287 O TYR A 20 2.655 -10.801 4.922 1.00 0.00 O ATOM 288 CB TYR A 20 1.745 -9.232 2.052 1.00 0.00 C ATOM 289 CG TYR A 20 1.277 -10.547 1.425 1.00 0.00 C ATOM 290 CD1 TYR A 20 0.063 -11.091 1.788 1.00 0.00 C ATOM 291 CD2 TYR A 20 2.071 -11.188 0.495 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.377 -12.329 1.197 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.631 -12.426 -0.096 1.00 0.00 C ATOM 294 CZ TYR A 20 0.428 -12.935 0.284 1.00 0.00 C ATOM 295 OH TYR A 20 0.012 -14.103 -0.274 1.00 0.00 O ATOM 0 H TYR A 20 1.246 -7.144 3.082 1.00 0.00 H new ATOM 0 HA TYR A 20 0.663 -9.710 3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.208 -8.407 1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.803 -9.091 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.558 -10.589 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.022 -10.761 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.325 -12.766 1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.242 -12.938 -0.824 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.967 -14.116 -0.313 1.00 0.00 H new ATOM 305 N GLY A 21 3.895 -9.103 4.089 1.00 0.00 N ATOM 306 CA GLY A 21 5.134 -9.566 4.691 1.00 0.00 C ATOM 307 C GLY A 21 4.963 -9.793 6.194 1.00 0.00 C ATOM 308 O GLY A 21 5.232 -10.882 6.696 1.00 0.00 O ATOM 0 H GLY A 21 3.981 -8.247 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.450 -10.493 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.922 -8.834 4.518 1.00 0.00 H new ATOM 312 N GLU A 22 4.514 -8.746 6.870 1.00 0.00 N ATOM 313 CA GLU A 22 4.303 -8.816 8.305 1.00 0.00 C ATOM 314 C GLU A 22 3.302 -9.923 8.641 1.00 0.00 C ATOM 315 O GLU A 22 3.484 -10.658 9.611 1.00 0.00 O ATOM 316 CB GLU A 22 3.835 -7.468 8.858 1.00 0.00 C ATOM 317 CG GLU A 22 4.781 -6.343 8.434 1.00 0.00 C ATOM 318 CD GLU A 22 5.022 -5.366 9.586 1.00 0.00 C ATOM 319 OE1 GLU A 22 5.647 -5.801 10.578 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.576 -4.206 9.450 1.00 0.00 O ATOM 0 H GLU A 22 4.290 -7.844 6.450 1.00 0.00 H new ATOM 0 HA GLU A 22 5.254 -9.056 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.827 -7.255 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.785 -7.515 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.731 -6.766 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.359 -5.810 7.582 1.00 0.00 H new ATOM 327 N ALA A 23 2.266 -10.009 7.820 1.00 0.00 N ATOM 328 CA ALA A 23 1.236 -11.015 8.017 1.00 0.00 C ATOM 329 C ALA A 23 1.843 -12.406 7.824 1.00 0.00 C ATOM 330 O ALA A 23 1.471 -13.351 8.516 1.00 0.00 O ATOM 331 CB ALA A 23 0.072 -10.748 7.060 1.00 0.00 C ATOM 0 H ALA A 23 2.118 -9.398 7.017 1.00 0.00 H new ATOM 0 HA ALA A 23 0.841 -10.966 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.701 -11.502 7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.343 -9.760 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.430 -10.791 6.031 1.00 0.00 H new ATOM 337 N LEU A 24 2.767 -12.486 6.877 1.00 0.00 N ATOM 338 CA LEU A 24 3.429 -13.745 6.583 1.00 0.00 C ATOM 339 C LEU A 24 4.385 -14.093 7.727 1.00 0.00 C ATOM 340 O LEU A 24 4.958 -15.181 7.753 1.00 0.00 O ATOM 341 CB LEU A 24 4.106 -13.688 5.213 1.00 0.00 C ATOM 342 CG LEU A 24 3.172 -13.716 4.002 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.695 -12.811 2.884 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.943 -15.150 3.519 1.00 0.00 C ATOM 0 H LEU A 24 3.072 -11.699 6.304 1.00 0.00 H new ATOM 0 HA LEU A 24 2.700 -14.552 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.706 -12.779 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.795 -14.529 5.135 1.00 0.00 H new ATOM 0 HG LEU A 24 2.204 -13.321 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.012 -12.850 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.764 -11.786 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.682 -13.152 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.276 -15.141 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.897 -15.595 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.493 -15.736 4.320 1.00 0.00 H new ATOM 356 N GLY A 25 4.528 -13.147 8.644 1.00 0.00 N ATOM 357 CA GLY A 25 5.404 -13.340 9.787 1.00 0.00 C ATOM 358 C GLY A 25 6.868 -13.135 9.397 1.00 0.00 C ATOM 359 O GLY A 25 7.771 -13.581 10.102 1.00 0.00 O ATOM 0 H GLY A 25 4.052 -12.245 8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.134 -12.641 10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.268 -14.344 10.188 1.00 0.00 H new ATOM 363 N LEU A 26 7.058 -12.458 8.273 1.00 0.00 N ATOM 364 CA LEU A 26 8.398 -12.188 7.780 1.00 0.00 C ATOM 365 C LEU A 26 8.833 -10.794 8.235 1.00 0.00 C ATOM 366 O LEU A 26 8.136 -10.146 9.014 1.00 0.00 O ATOM 367 CB LEU A 26 8.461 -12.387 6.264 1.00 0.00 C ATOM 368 CG LEU A 26 7.660 -13.566 5.708 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.782 -13.642 4.185 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.072 -14.875 6.383 1.00 0.00 C ATOM 0 H LEU A 26 6.307 -12.089 7.690 1.00 0.00 H new ATOM 0 HA LEU A 26 9.109 -12.898 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.108 -11.475 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.505 -12.515 5.978 1.00 0.00 H new ATOM 0 HG LEU A 26 6.607 -13.403 5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.203 -14.489 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.401 -12.721 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.829 -13.770 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.488 -15.697 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.132 -15.058 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.891 -14.804 7.455 1.00 0.00 H new ATOM 382 N ASN A 27 9.982 -10.373 7.730 1.00 0.00 N ATOM 383 CA ASN A 27 10.519 -9.067 8.074 1.00 0.00 C ATOM 384 C ASN A 27 10.785 -8.274 6.793 1.00 0.00 C ATOM 385 O ASN A 27 11.586 -7.341 6.791 1.00 0.00 O ATOM 386 CB ASN A 27 11.841 -9.197 8.832 1.00 0.00 C ATOM 387 CG ASN A 27 12.832 -10.070 8.061 1.00 0.00 C ATOM 388 OD1 ASN A 27 12.537 -10.602 7.003 1.00 0.00 O ATOM 389 ND2 ASN A 27 14.020 -10.188 8.646 1.00 0.00 N ATOM 0 H ASN A 27 10.557 -10.914 7.084 1.00 0.00 H new ATOM 0 HA ASN A 27 9.789 -8.559 8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.271 -8.208 8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.659 -9.629 9.816 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.750 -10.750 8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.201 -9.716 9.532 1.00 0.00 H new ATOM 396 N ARG A 28 10.096 -8.675 5.734 1.00 0.00 N ATOM 397 CA ARG A 28 10.248 -8.013 4.450 1.00 0.00 C ATOM 398 C ARG A 28 8.904 -7.954 3.721 1.00 0.00 C ATOM 399 O ARG A 28 8.041 -8.804 3.933 1.00 0.00 O ATOM 400 CB ARG A 28 11.265 -8.745 3.570 1.00 0.00 C ATOM 401 CG ARG A 28 10.944 -10.239 3.488 1.00 0.00 C ATOM 402 CD ARG A 28 11.996 -10.981 2.663 1.00 0.00 C ATOM 403 NE ARG A 28 12.331 -12.270 3.310 1.00 0.00 N ATOM 404 CZ ARG A 28 13.254 -13.124 2.849 1.00 0.00 C ATOM 405 NH1 ARG A 28 13.940 -12.834 1.736 1.00 0.00 N ATOM 406 NH2 ARG A 28 13.490 -14.271 3.501 1.00 0.00 N ATOM 0 H ARG A 28 9.432 -9.449 5.739 1.00 0.00 H new ATOM 0 HA ARG A 28 10.608 -7.002 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.263 -8.313 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.268 -8.606 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.900 -10.661 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.960 -10.379 3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.621 -11.157 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.893 -10.369 2.567 1.00 0.00 H new ATOM 0 HE ARG A 28 11.827 -12.523 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.760 -11.962 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.643 -13.485 1.386 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.967 -14.493 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.193 -14.922 3.150 1.00 0.00 H new ATOM 420 N PRO A 29 8.765 -6.914 2.856 1.00 0.00 N ATOM 421 CA PRO A 29 7.540 -6.731 2.096 1.00 0.00 C ATOM 422 C PRO A 29 7.451 -7.742 0.950 1.00 0.00 C ATOM 423 O PRO A 29 8.422 -7.950 0.225 1.00 0.00 O ATOM 424 CB PRO A 29 7.587 -5.291 1.614 1.00 0.00 C ATOM 425 CG PRO A 29 9.041 -4.860 1.726 1.00 0.00 C ATOM 426 CD PRO A 29 9.766 -5.887 2.579 1.00 0.00 C ATOM 0 HA PRO A 29 6.645 -6.908 2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.234 -5.212 0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.943 -4.655 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.497 -4.794 0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.112 -3.870 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.625 -6.303 2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.142 -5.442 3.500 1.00 0.00 H new ATOM 434 N VAL A 30 6.276 -8.342 0.823 1.00 0.00 N ATOM 435 CA VAL A 30 6.047 -9.326 -0.222 1.00 0.00 C ATOM 436 C VAL A 30 4.809 -8.928 -1.029 1.00 0.00 C ATOM 437 O VAL A 30 3.820 -8.464 -0.465 1.00 0.00 O ATOM 438 CB VAL A 30 5.938 -10.724 0.389 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.490 -11.746 -0.656 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.260 -11.144 1.037 1.00 0.00 C ATOM 0 H VAL A 30 5.473 -8.166 1.426 1.00 0.00 H new ATOM 0 HA VAL A 30 6.890 -9.353 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 30 5.178 -10.690 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.421 -12.731 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.515 -11.460 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.215 -11.776 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.155 -12.142 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.048 -11.152 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.519 -10.437 1.825 1.00 0.00 H new ATOM 450 N LEU A 31 4.906 -9.123 -2.336 1.00 0.00 N ATOM 451 CA LEU A 31 3.807 -8.791 -3.225 1.00 0.00 C ATOM 452 C LEU A 31 2.550 -9.538 -2.777 1.00 0.00 C ATOM 453 O LEU A 31 2.640 -10.565 -2.106 1.00 0.00 O ATOM 454 CB LEU A 31 4.196 -9.059 -4.680 1.00 0.00 C ATOM 455 CG LEU A 31 4.925 -7.923 -5.400 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.785 -8.462 -6.546 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.941 -6.854 -5.877 1.00 0.00 C ATOM 0 H LEU A 31 5.729 -9.507 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 31 3.581 -7.726 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.829 -9.946 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.291 -9.295 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 31 5.599 -7.446 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.292 -7.634 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.526 -9.156 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.150 -8.980 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.486 -6.059 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.224 -7.301 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.410 -6.440 -5.020 1.00 0.00 H new ATOM 469 N VAL A 32 1.406 -8.993 -3.165 1.00 0.00 N ATOM 470 CA VAL A 32 0.132 -9.595 -2.811 1.00 0.00 C ATOM 471 C VAL A 32 -0.468 -10.272 -4.046 1.00 0.00 C ATOM 472 O VAL A 32 -0.740 -9.614 -5.048 1.00 0.00 O ATOM 473 CB VAL A 32 -0.793 -8.542 -2.199 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.227 -9.066 -2.093 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.274 -8.083 -0.834 1.00 0.00 C ATOM 0 H VAL A 32 1.335 -8.141 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 32 0.272 -10.365 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.801 -7.677 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.864 -8.298 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.596 -9.320 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.244 -9.955 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.950 -7.334 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.222 -8.937 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.720 -7.650 -0.949 1.00 0.00 H new ATOM 485 N PRO A 33 -0.661 -11.614 -3.928 1.00 0.00 N ATOM 486 CA PRO A 33 -1.223 -12.387 -5.023 1.00 0.00 C ATOM 487 C PRO A 33 -2.729 -12.146 -5.148 1.00 0.00 C ATOM 488 O PRO A 33 -3.524 -13.071 -4.994 1.00 0.00 O ATOM 489 CB PRO A 33 -0.878 -13.832 -4.701 1.00 0.00 C ATOM 490 CG PRO A 33 -0.545 -13.861 -3.219 1.00 0.00 C ATOM 491 CD PRO A 33 -0.351 -12.426 -2.756 1.00 0.00 C ATOM 0 HA PRO A 33 -0.816 -12.100 -5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.715 -14.493 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.033 -14.174 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.348 -14.338 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.359 -14.445 -3.042 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.011 -12.186 -1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.670 -12.255 -2.414 1.00 0.00 H new ATOM 499 N TYR A 34 -3.075 -10.897 -5.425 1.00 0.00 N ATOM 500 CA TYR A 34 -4.471 -10.523 -5.572 1.00 0.00 C ATOM 501 C TYR A 34 -5.214 -11.517 -6.466 1.00 0.00 C ATOM 502 O TYR A 34 -6.339 -11.912 -6.161 1.00 0.00 O ATOM 503 CB TYR A 34 -4.470 -9.150 -6.247 1.00 0.00 C ATOM 504 CG TYR A 34 -3.713 -8.073 -5.466 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.332 -7.414 -4.423 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.413 -7.761 -5.807 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.619 -6.401 -3.689 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.700 -6.748 -5.072 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.338 -6.117 -4.050 1.00 0.00 C ATOM 510 OH TYR A 34 -1.665 -5.161 -3.357 1.00 0.00 O ATOM 0 H TYR A 34 -2.413 -10.132 -5.551 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.970 -10.513 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.027 -9.244 -7.238 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.501 -8.825 -6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.350 -7.658 -4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.930 -8.276 -6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.090 -5.878 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.681 -6.495 -5.327 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.305 -4.571 -2.907 1.00 0.00 H new ATOM 520 N LYS A 35 -4.555 -11.893 -7.553 1.00 0.00 N ATOM 521 CA LYS A 35 -5.140 -12.835 -8.493 1.00 0.00 C ATOM 522 C LYS A 35 -5.691 -14.039 -7.727 1.00 0.00 C ATOM 523 O LYS A 35 -6.805 -14.488 -7.988 1.00 0.00 O ATOM 524 CB LYS A 35 -4.127 -13.205 -9.578 1.00 0.00 C ATOM 525 CG LYS A 35 -4.591 -12.716 -10.952 1.00 0.00 C ATOM 526 CD LYS A 35 -3.399 -12.301 -11.817 1.00 0.00 C ATOM 527 CE LYS A 35 -3.739 -12.404 -13.304 1.00 0.00 C ATOM 528 NZ LYS A 35 -2.515 -12.644 -14.101 1.00 0.00 N ATOM 0 H LYS A 35 -3.623 -11.563 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.981 -12.380 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.158 -12.766 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.991 -14.286 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.151 -13.506 -11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.269 -11.871 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.109 -11.278 -11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.543 -12.936 -11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.450 -13.215 -13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.222 -11.486 -13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.764 -12.711 -15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.850 -11.857 -13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.070 -13.533 -13.794 1.00 0.00 H new ATOM 542 N LEU A 36 -4.882 -14.529 -6.798 1.00 0.00 N ATOM 543 CA LEU A 36 -5.275 -15.673 -5.992 1.00 0.00 C ATOM 544 C LEU A 36 -6.375 -15.250 -5.017 1.00 0.00 C ATOM 545 O LEU A 36 -7.514 -15.702 -5.126 1.00 0.00 O ATOM 546 CB LEU A 36 -4.053 -16.292 -5.312 1.00 0.00 C ATOM 547 CG LEU A 36 -3.068 -17.017 -6.231 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.788 -17.387 -5.481 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.723 -18.237 -6.884 1.00 0.00 C ATOM 0 H LEU A 36 -3.957 -14.155 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.693 -16.459 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.515 -15.502 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.401 -16.997 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.785 -16.335 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.105 -17.901 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.312 -16.481 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.033 -18.043 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.001 -18.734 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.054 -18.930 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.581 -17.917 -7.475 1.00 0.00 H new ATOM 561 N ILE A 37 -5.996 -14.390 -4.084 1.00 0.00 N ATOM 562 CA ILE A 37 -6.936 -13.901 -3.089 1.00 0.00 C ATOM 563 C ILE A 37 -8.284 -13.628 -3.759 1.00 0.00 C ATOM 564 O ILE A 37 -9.336 -13.880 -3.172 1.00 0.00 O ATOM 565 CB ILE A 37 -6.357 -12.691 -2.354 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.092 -13.071 -1.582 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.409 -12.046 -1.448 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.023 -11.985 -1.712 1.00 0.00 C ATOM 0 H ILE A 37 -5.050 -14.019 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.108 -14.657 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.069 -11.946 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.335 -13.223 -0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.702 -14.017 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.972 -11.188 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.256 -11.717 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.749 -12.773 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.135 -12.280 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.764 -11.853 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.407 -11.047 -1.312 1.00 0.00 H new ATOM 580 N ARG A 38 -8.210 -13.115 -4.978 1.00 0.00 N ATOM 581 CA ARG A 38 -9.410 -12.804 -5.734 1.00 0.00 C ATOM 582 C ARG A 38 -10.265 -14.061 -5.913 1.00 0.00 C ATOM 583 O ARG A 38 -11.452 -14.059 -5.591 1.00 0.00 O ATOM 584 CB ARG A 38 -9.063 -12.232 -7.110 1.00 0.00 C ATOM 585 CG ARG A 38 -10.325 -11.790 -7.855 1.00 0.00 C ATOM 586 CD ARG A 38 -10.587 -10.297 -7.650 1.00 0.00 C ATOM 587 NE ARG A 38 -11.985 -10.085 -7.210 1.00 0.00 N ATOM 588 CZ ARG A 38 -13.054 -10.259 -7.998 1.00 0.00 C ATOM 589 NH1 ARG A 38 -12.895 -10.648 -9.270 1.00 0.00 N ATOM 590 NH2 ARG A 38 -14.285 -10.042 -7.513 1.00 0.00 N ATOM 0 H ARG A 38 -7.336 -12.907 -5.461 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.970 -12.055 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.388 -11.384 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.534 -12.983 -7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.217 -12.001 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.181 -12.365 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.898 -9.897 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.403 -9.756 -8.578 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.144 -9.788 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.959 -10.812 -9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.710 -10.780 -9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.407 -9.745 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.100 -10.174 -8.112 1.00 0.00 H new ATOM 604 N ASP A 39 -9.628 -15.103 -6.426 1.00 0.00 N ATOM 605 CA ASP A 39 -10.316 -16.363 -6.651 1.00 0.00 C ATOM 606 C ASP A 39 -10.559 -17.054 -5.307 1.00 0.00 C ATOM 607 O ASP A 39 -11.597 -17.682 -5.107 1.00 0.00 O ATOM 608 CB ASP A 39 -9.476 -17.301 -7.520 1.00 0.00 C ATOM 609 CG ASP A 39 -9.683 -17.145 -9.027 1.00 0.00 C ATOM 610 OD1 ASP A 39 -9.298 -16.074 -9.545 1.00 0.00 O ATOM 611 OD2 ASP A 39 -10.222 -18.100 -9.628 1.00 0.00 O ATOM 0 H ASP A 39 -8.643 -15.101 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.257 -16.148 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.423 -17.135 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.703 -18.330 -7.242 1.00 0.00 H new ATOM 616 N SER A 40 -9.584 -16.913 -4.421 1.00 0.00 N ATOM 617 CA SER A 40 -9.678 -17.517 -3.102 1.00 0.00 C ATOM 618 C SER A 40 -9.823 -16.427 -2.038 1.00 0.00 C ATOM 619 O SER A 40 -8.833 -15.835 -1.611 1.00 0.00 O ATOM 620 CB SER A 40 -8.456 -18.388 -2.806 1.00 0.00 C ATOM 621 OG SER A 40 -8.472 -18.895 -1.475 1.00 0.00 O ATOM 0 H SER A 40 -8.725 -16.390 -4.590 1.00 0.00 H new ATOM 0 HA SER A 40 -10.560 -18.157 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.424 -19.219 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.549 -17.804 -2.961 1.00 0.00 H new ATOM 0 HG SER A 40 -7.769 -19.570 -1.374 1.00 0.00 H new ATOM 627 N PRO A 41 -11.098 -16.188 -1.630 1.00 0.00 N ATOM 628 CA PRO A 41 -11.385 -15.180 -0.624 1.00 0.00 C ATOM 629 C PRO A 41 -10.994 -15.670 0.772 1.00 0.00 C ATOM 630 O PRO A 41 -10.852 -14.873 1.696 1.00 0.00 O ATOM 631 CB PRO A 41 -12.873 -14.901 -0.760 1.00 0.00 C ATOM 632 CG PRO A 41 -13.453 -16.088 -1.512 1.00 0.00 C ATOM 633 CD PRO A 41 -12.295 -16.868 -2.114 1.00 0.00 C ATOM 0 HA PRO A 41 -10.807 -14.267 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.341 -14.792 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.048 -13.972 -1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.031 -16.721 -0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.133 -15.750 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.313 -17.911 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.339 -16.865 -3.203 1.00 0.00 H new ATOM 641 N ASP A 42 -10.830 -16.981 0.878 1.00 0.00 N ATOM 642 CA ASP A 42 -10.458 -17.588 2.145 1.00 0.00 C ATOM 643 C ASP A 42 -8.966 -17.925 2.125 1.00 0.00 C ATOM 644 O ASP A 42 -8.568 -19.021 2.516 1.00 0.00 O ATOM 645 CB ASP A 42 -11.233 -18.885 2.383 1.00 0.00 C ATOM 646 CG ASP A 42 -12.739 -18.710 2.592 1.00 0.00 C ATOM 647 OD1 ASP A 42 -13.108 -17.710 3.245 1.00 0.00 O ATOM 648 OD2 ASP A 42 -13.485 -19.579 2.095 1.00 0.00 O ATOM 0 H ASP A 42 -10.948 -17.639 0.108 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.690 -16.879 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.074 -19.547 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.816 -19.385 3.257 1.00 0.00 H new ATOM 653 N ALA A 43 -8.180 -16.963 1.665 1.00 0.00 N ATOM 654 CA ALA A 43 -6.740 -17.144 1.589 1.00 0.00 C ATOM 655 C ALA A 43 -6.056 -16.156 2.536 1.00 0.00 C ATOM 656 O ALA A 43 -5.263 -16.556 3.387 1.00 0.00 O ATOM 657 CB ALA A 43 -6.281 -16.977 0.139 1.00 0.00 C ATOM 0 H ALA A 43 -8.513 -16.055 1.341 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.461 -18.149 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.201 -17.113 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.774 -17.721 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.540 -15.978 -0.212 1.00 0.00 H new ATOM 663 N VAL A 44 -6.386 -14.886 2.355 1.00 0.00 N ATOM 664 CA VAL A 44 -5.813 -13.839 3.183 1.00 0.00 C ATOM 665 C VAL A 44 -6.901 -12.824 3.539 1.00 0.00 C ATOM 666 O VAL A 44 -7.748 -12.500 2.709 1.00 0.00 O ATOM 667 CB VAL A 44 -4.615 -13.206 2.471 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.205 -11.897 3.148 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.439 -14.183 2.404 1.00 0.00 C ATOM 0 H VAL A 44 -7.043 -14.558 1.647 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.437 -14.254 4.118 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.915 -12.974 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.352 -11.468 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.039 -11.196 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.932 -12.094 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.601 -13.709 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.139 -14.461 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.739 -15.076 1.856 1.00 0.00 H new ATOM 679 N GLU A 45 -6.842 -12.351 4.776 1.00 0.00 N ATOM 680 CA GLU A 45 -7.812 -11.379 5.252 1.00 0.00 C ATOM 681 C GLU A 45 -7.212 -9.972 5.221 1.00 0.00 C ATOM 682 O GLU A 45 -6.086 -9.763 5.670 1.00 0.00 O ATOM 683 CB GLU A 45 -8.299 -11.737 6.658 1.00 0.00 C ATOM 684 CG GLU A 45 -9.010 -10.548 7.310 1.00 0.00 C ATOM 685 CD GLU A 45 -8.244 -10.060 8.542 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.338 -10.752 9.579 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.583 -9.007 8.417 1.00 0.00 O ATOM 0 H GLU A 45 -6.138 -12.623 5.462 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.675 -11.399 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.978 -12.588 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.453 -12.042 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.103 -9.735 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.021 -10.837 7.597 1.00 0.00 H new ATOM 694 N VAL A 46 -7.991 -9.043 4.686 1.00 0.00 N ATOM 695 CA VAL A 46 -7.552 -7.662 4.590 1.00 0.00 C ATOM 696 C VAL A 46 -8.506 -6.771 5.388 1.00 0.00 C ATOM 697 O VAL A 46 -9.710 -6.767 5.140 1.00 0.00 O ATOM 698 CB VAL A 46 -7.437 -7.250 3.121 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.184 -5.748 2.991 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.347 -8.054 2.410 1.00 0.00 C ATOM 0 H VAL A 46 -8.924 -9.220 4.314 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.559 -7.546 5.025 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.387 -7.472 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.106 -5.482 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.010 -5.199 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.255 -5.490 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.286 -7.742 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.388 -7.878 2.898 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.589 -9.116 2.457 1.00 0.00 H new ATOM 710 N THR A 47 -7.932 -6.038 6.330 1.00 0.00 N ATOM 711 CA THR A 47 -8.716 -5.145 7.166 1.00 0.00 C ATOM 712 C THR A 47 -7.949 -3.847 7.426 1.00 0.00 C ATOM 713 O THR A 47 -6.776 -3.734 7.073 1.00 0.00 O ATOM 714 CB THR A 47 -9.087 -5.898 8.445 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.898 -6.604 8.789 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.117 -7.003 8.197 1.00 0.00 C ATOM 0 H THR A 47 -6.932 -6.044 6.533 1.00 0.00 H new ATOM 0 HA THR A 47 -9.639 -4.846 6.668 1.00 0.00 H new ATOM 0 HB THR A 47 -9.479 -5.194 9.179 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.087 -7.565 8.825 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.345 -7.506 9.137 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.028 -6.566 7.789 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.712 -7.725 7.488 1.00 0.00 H new ATOM 724 N GLY A 48 -8.642 -2.901 8.042 1.00 0.00 N ATOM 725 CA GLY A 48 -8.042 -1.616 8.353 1.00 0.00 C ATOM 726 C GLY A 48 -8.278 -0.611 7.223 1.00 0.00 C ATOM 727 O GLY A 48 -8.272 0.597 7.450 1.00 0.00 O ATOM 0 H GLY A 48 -9.614 -2.999 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.463 -1.230 9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.971 -1.741 8.516 1.00 0.00 H new ATOM 731 N LEU A 49 -8.481 -1.149 6.029 1.00 0.00 N ATOM 732 CA LEU A 49 -8.719 -0.316 4.863 1.00 0.00 C ATOM 733 C LEU A 49 -9.718 0.785 5.224 1.00 0.00 C ATOM 734 O LEU A 49 -10.409 0.694 6.238 1.00 0.00 O ATOM 735 CB LEU A 49 -9.151 -1.172 3.672 1.00 0.00 C ATOM 736 CG LEU A 49 -8.022 -1.757 2.821 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.578 -2.658 1.716 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.126 -0.650 2.262 1.00 0.00 C ATOM 0 H LEU A 49 -8.485 -2.152 5.844 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.798 0.178 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.762 -1.994 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.789 -0.567 3.028 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.400 -2.381 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.755 -3.061 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.139 -3.478 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.237 -2.077 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.332 -1.093 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.720 0.020 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.687 -0.087 3.085 1.00 0.00 H new ATOM 750 N PRO A 50 -9.764 1.827 4.351 1.00 0.00 N ATOM 751 CA PRO A 50 -10.668 2.945 4.568 1.00 0.00 C ATOM 752 C PRO A 50 -12.109 2.557 4.235 1.00 0.00 C ATOM 753 O PRO A 50 -12.343 1.664 3.422 1.00 0.00 O ATOM 754 CB PRO A 50 -10.133 4.060 3.684 1.00 0.00 C ATOM 755 CG PRO A 50 -9.234 3.385 2.661 1.00 0.00 C ATOM 756 CD PRO A 50 -8.961 1.970 3.141 1.00 0.00 C ATOM 0 HA PRO A 50 -10.702 3.263 5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.947 4.596 3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.577 4.791 4.271 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.714 3.370 1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.301 3.937 2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.245 1.235 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.902 1.820 3.349 1.00 0.00 H new ATOM 764 N ASP A 51 -13.038 3.248 4.879 1.00 0.00 N ATOM 765 CA ASP A 51 -14.451 2.986 4.662 1.00 0.00 C ATOM 766 C ASP A 51 -14.829 3.403 3.239 1.00 0.00 C ATOM 767 O ASP A 51 -14.322 4.399 2.724 1.00 0.00 O ATOM 768 CB ASP A 51 -15.316 3.790 5.635 1.00 0.00 C ATOM 769 CG ASP A 51 -14.859 5.231 5.868 1.00 0.00 C ATOM 770 OD1 ASP A 51 -14.851 5.992 4.876 1.00 0.00 O ATOM 771 OD2 ASP A 51 -14.528 5.540 7.033 1.00 0.00 O ATOM 0 H ASP A 51 -12.840 3.989 5.551 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.625 1.922 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.339 3.806 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.336 3.272 6.594 1.00 0.00 H new ATOM 776 N ASP A 52 -15.715 2.620 2.642 1.00 0.00 N ATOM 777 CA ASP A 52 -16.167 2.894 1.289 1.00 0.00 C ATOM 778 C ASP A 52 -15.025 2.618 0.309 1.00 0.00 C ATOM 779 O ASP A 52 -14.887 3.307 -0.700 1.00 0.00 O ATOM 780 CB ASP A 52 -16.578 4.360 1.134 1.00 0.00 C ATOM 781 CG ASP A 52 -17.765 4.602 0.199 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.197 3.617 -0.438 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.214 5.767 0.141 1.00 0.00 O ATOM 0 H ASP A 52 -16.133 1.794 3.071 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.025 2.254 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.822 4.759 2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.722 4.925 0.764 1.00 0.00 H new ATOM 788 N ILE A 53 -14.236 1.606 0.641 1.00 0.00 N ATOM 789 CA ILE A 53 -13.110 1.229 -0.197 1.00 0.00 C ATOM 790 C ILE A 53 -12.827 -0.264 -0.023 1.00 0.00 C ATOM 791 O ILE A 53 -12.519 -0.716 1.080 1.00 0.00 O ATOM 792 CB ILE A 53 -11.903 2.123 0.094 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.206 3.583 -0.247 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.656 1.613 -0.631 1.00 0.00 C ATOM 795 CD1 ILE A 53 -10.973 4.463 -0.032 1.00 0.00 C ATOM 0 H ILE A 53 -14.354 1.036 1.478 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.348 1.387 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.696 2.079 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.534 3.658 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.027 3.943 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.812 2.266 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.429 0.600 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.836 1.609 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.215 5.496 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.662 4.405 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.162 4.116 -0.672 1.00 0.00 H new ATOM 807 N PRO A 54 -12.945 -1.008 -1.154 1.00 0.00 N ATOM 808 CA PRO A 54 -12.706 -2.441 -1.137 1.00 0.00 C ATOM 809 C PRO A 54 -11.209 -2.746 -1.052 1.00 0.00 C ATOM 810 O PRO A 54 -10.414 -1.875 -0.699 1.00 0.00 O ATOM 811 CB PRO A 54 -13.347 -2.963 -2.413 1.00 0.00 C ATOM 812 CG PRO A 54 -13.513 -1.755 -3.320 1.00 0.00 C ATOM 813 CD PRO A 54 -13.310 -0.506 -2.476 1.00 0.00 C ATOM 0 HA PRO A 54 -13.137 -2.929 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.721 -3.721 -2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.310 -3.430 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.789 -1.787 -4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.504 -1.752 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.526 0.128 -2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.218 0.096 -2.434 1.00 0.00 H new ATOM 821 N PHE A 55 -10.869 -3.983 -1.381 1.00 0.00 N ATOM 822 CA PHE A 55 -9.483 -4.413 -1.347 1.00 0.00 C ATOM 823 C PHE A 55 -9.074 -5.056 -2.674 1.00 0.00 C ATOM 824 O PHE A 55 -9.268 -6.254 -2.874 1.00 0.00 O ATOM 825 CB PHE A 55 -9.364 -5.454 -0.232 1.00 0.00 C ATOM 826 CG PHE A 55 -8.138 -6.362 -0.355 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.891 -5.847 -0.184 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.297 -7.683 -0.637 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.754 -6.690 -0.299 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.159 -8.526 -0.752 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.912 -8.011 -0.580 1.00 0.00 C ATOM 0 H PHE A 55 -11.531 -4.702 -1.673 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.833 -3.555 -1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.327 -4.940 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.262 -6.072 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.766 -4.798 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.288 -8.091 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.763 -6.282 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.284 -9.575 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.047 -8.652 -0.667 1.00 0.00 H new ATOM 841 N ARG A 56 -8.517 -4.230 -3.548 1.00 0.00 N ATOM 842 CA ARG A 56 -8.080 -4.703 -4.850 1.00 0.00 C ATOM 843 C ARG A 56 -6.765 -4.029 -5.246 1.00 0.00 C ATOM 844 O ARG A 56 -6.294 -3.126 -4.556 1.00 0.00 O ATOM 845 CB ARG A 56 -9.134 -4.417 -5.922 1.00 0.00 C ATOM 846 CG ARG A 56 -10.503 -4.953 -5.501 1.00 0.00 C ATOM 847 CD ARG A 56 -11.174 -5.707 -6.651 1.00 0.00 C ATOM 848 NE ARG A 56 -12.645 -5.634 -6.516 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.504 -5.816 -7.528 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.042 -6.084 -8.757 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.823 -5.730 -7.312 1.00 0.00 N ATOM 0 H ARG A 56 -8.359 -3.237 -3.380 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.933 -5.781 -4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.198 -3.343 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.834 -4.876 -6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.390 -5.616 -4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.139 -4.127 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.867 -5.279 -7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.852 -6.748 -6.650 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.030 -5.432 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.037 -6.149 -8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.695 -6.223 -9.528 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.174 -5.526 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.476 -5.869 -8.083 1.00 0.00 H new ATOM 865 N ASN A 57 -6.207 -4.495 -6.355 1.00 0.00 N ATOM 866 CA ASN A 57 -4.956 -3.948 -6.849 1.00 0.00 C ATOM 867 C ASN A 57 -4.956 -2.430 -6.659 1.00 0.00 C ATOM 868 O ASN A 57 -5.960 -1.769 -6.918 1.00 0.00 O ATOM 869 CB ASN A 57 -4.780 -4.238 -8.341 1.00 0.00 C ATOM 870 CG ASN A 57 -3.301 -4.388 -8.701 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.662 -3.477 -9.203 1.00 0.00 O ATOM 872 ND2 ASN A 57 -2.793 -5.584 -8.418 1.00 0.00 N ATOM 0 H ASN A 57 -6.599 -5.245 -6.924 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.142 -4.412 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.316 -5.150 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.220 -3.431 -8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.813 -5.783 -8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.383 -6.302 -7.998 1.00 0.00 H new ATOM 879 N PRO A 58 -3.788 -1.909 -6.197 1.00 0.00 N ATOM 880 CA PRO A 58 -3.644 -0.481 -5.969 1.00 0.00 C ATOM 881 C PRO A 58 -3.497 0.273 -7.291 1.00 0.00 C ATOM 882 O PRO A 58 -3.495 1.504 -7.312 1.00 0.00 O ATOM 883 CB PRO A 58 -2.427 -0.347 -5.070 1.00 0.00 C ATOM 884 CG PRO A 58 -1.663 -1.654 -5.205 1.00 0.00 C ATOM 885 CD PRO A 58 -2.578 -2.662 -5.879 1.00 0.00 C ATOM 0 HA PRO A 58 -4.522 -0.040 -5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.810 0.499 -5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.723 -0.173 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.757 -1.508 -5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.351 -2.017 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.120 -3.073 -6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.796 -3.502 -5.219 1.00 0.00 H new ATOM 893 N ASN A 59 -3.378 -0.495 -8.364 1.00 0.00 N ATOM 894 CA ASN A 59 -3.230 0.084 -9.688 1.00 0.00 C ATOM 895 C ASN A 59 -4.609 0.221 -10.336 1.00 0.00 C ATOM 896 O ASN A 59 -4.913 -0.467 -11.309 1.00 0.00 O ATOM 897 CB ASN A 59 -2.371 -0.806 -10.587 1.00 0.00 C ATOM 898 CG ASN A 59 -1.801 -0.011 -11.763 1.00 0.00 C ATOM 899 OD1 ASN A 59 -2.494 0.731 -12.439 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.502 -0.208 -11.970 1.00 0.00 N ATOM 0 H ASN A 59 -3.381 -1.515 -8.343 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.748 1.056 -9.579 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.556 -1.237 -10.006 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.970 -1.637 -10.961 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.028 0.276 -12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.020 -0.843 -11.366 1.00 0.00 H new ATOM 907 N THR A 60 -5.407 1.116 -9.772 1.00 0.00 N ATOM 908 CA THR A 60 -6.746 1.353 -10.283 1.00 0.00 C ATOM 909 C THR A 60 -7.458 2.414 -9.443 1.00 0.00 C ATOM 910 O THR A 60 -8.213 3.228 -9.973 1.00 0.00 O ATOM 911 CB THR A 60 -7.482 0.012 -10.319 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.859 0.373 -10.378 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.355 -0.761 -9.005 1.00 0.00 C ATOM 0 H THR A 60 -5.151 1.686 -8.966 1.00 0.00 H new ATOM 0 HA THR A 60 -6.717 1.752 -11.297 1.00 0.00 H new ATOM 0 HB THR A 60 -7.091 -0.595 -11.136 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.409 -0.438 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.895 -1.704 -9.084 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.303 -0.961 -8.801 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.776 -0.169 -8.192 1.00 0.00 H new ATOM 921 N TYR A 61 -7.192 2.373 -8.145 1.00 0.00 N ATOM 922 CA TYR A 61 -7.798 3.320 -7.226 1.00 0.00 C ATOM 923 C TYR A 61 -7.686 4.750 -7.760 1.00 0.00 C ATOM 924 O TYR A 61 -7.049 4.985 -8.785 1.00 0.00 O ATOM 925 CB TYR A 61 -7.004 3.211 -5.923 1.00 0.00 C ATOM 926 CG TYR A 61 -7.260 1.919 -5.145 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.553 1.484 -4.936 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.197 1.188 -4.654 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.793 0.267 -4.204 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.438 -0.028 -3.921 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.724 -0.429 -3.733 1.00 0.00 C ATOM 932 OH TYR A 61 -7.952 -1.578 -3.041 1.00 0.00 O ATOM 0 H TYR A 61 -6.564 1.698 -7.709 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.857 3.099 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.940 3.281 -6.151 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.251 4.061 -5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.384 2.056 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.185 1.528 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.800 -0.085 -4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.616 -0.609 -3.529 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.162 -2.155 -3.095 1.00 0.00 H new ATOM 942 N ASP A 62 -8.313 5.667 -7.039 1.00 0.00 N ATOM 943 CA ASP A 62 -8.292 7.068 -7.428 1.00 0.00 C ATOM 944 C ASP A 62 -7.460 7.859 -6.417 1.00 0.00 C ATOM 945 O ASP A 62 -7.208 7.388 -5.309 1.00 0.00 O ATOM 946 CB ASP A 62 -9.703 7.657 -7.442 1.00 0.00 C ATOM 947 CG ASP A 62 -10.806 6.709 -6.965 1.00 0.00 C ATOM 948 OD1 ASP A 62 -10.809 5.555 -7.447 1.00 0.00 O ATOM 949 OD2 ASP A 62 -11.619 7.159 -6.131 1.00 0.00 O ATOM 0 H ASP A 62 -8.839 5.468 -6.188 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.864 7.135 -8.428 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.714 8.548 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.936 7.979 -8.457 1.00 0.00 H new ATOM 954 N ILE A 63 -7.054 9.050 -6.835 1.00 0.00 N ATOM 955 CA ILE A 63 -6.256 9.911 -5.981 1.00 0.00 C ATOM 956 C ILE A 63 -6.808 9.862 -4.554 1.00 0.00 C ATOM 957 O ILE A 63 -6.049 9.936 -3.589 1.00 0.00 O ATOM 958 CB ILE A 63 -6.183 11.325 -6.562 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.788 11.925 -6.375 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.275 12.218 -5.970 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.837 13.452 -6.423 1.00 0.00 C ATOM 0 H ILE A 63 -7.264 9.438 -7.755 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.227 9.554 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.364 11.262 -7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.374 11.601 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.122 11.554 -7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.201 13.217 -6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.254 11.796 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.150 12.278 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.832 13.853 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.229 13.773 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.485 13.820 -5.628 1.00 0.00 H new ATOM 973 N HIS A 64 -8.123 9.734 -4.467 1.00 0.00 N ATOM 974 CA HIS A 64 -8.785 9.673 -3.175 1.00 0.00 C ATOM 975 C HIS A 64 -8.430 8.358 -2.478 1.00 0.00 C ATOM 976 O HIS A 64 -7.660 8.349 -1.519 1.00 0.00 O ATOM 977 CB HIS A 64 -10.295 9.875 -3.328 1.00 0.00 C ATOM 978 CG HIS A 64 -10.704 11.312 -3.541 1.00 0.00 C ATOM 979 ND1 HIS A 64 -10.085 12.371 -2.899 1.00 0.00 N ATOM 980 CD2 HIS A 64 -11.674 11.855 -4.331 1.00 0.00 C ATOM 981 CE1 HIS A 64 -10.666 13.495 -3.292 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.650 13.173 -4.179 1.00 0.00 N ATOM 0 H HIS A 64 -8.749 9.671 -5.270 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.431 10.486 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.647 9.279 -4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.794 9.494 -2.437 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -12.348 11.305 -4.972 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.406 14.491 -2.967 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.266 13.836 -4.649 1.00 0.00 H new ATOM 990 N ARG A 65 -9.008 7.281 -2.988 1.00 0.00 N ATOM 991 CA ARG A 65 -8.762 5.963 -2.426 1.00 0.00 C ATOM 992 C ARG A 65 -7.270 5.777 -2.144 1.00 0.00 C ATOM 993 O ARG A 65 -6.891 5.322 -1.065 1.00 0.00 O ATOM 994 CB ARG A 65 -9.235 4.862 -3.378 1.00 0.00 C ATOM 995 CG ARG A 65 -10.750 4.927 -3.582 1.00 0.00 C ATOM 996 CD ARG A 65 -11.288 3.598 -4.114 1.00 0.00 C ATOM 997 NE ARG A 65 -12.754 3.530 -3.917 1.00 0.00 N ATOM 998 CZ ARG A 65 -13.569 2.729 -4.615 1.00 0.00 C ATOM 999 NH1 ARG A 65 -13.069 1.923 -5.562 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -14.887 2.734 -4.368 1.00 0.00 N ATOM 0 H ARG A 65 -9.646 7.293 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.324 5.889 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.730 4.965 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.960 3.887 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.238 5.169 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.993 5.728 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.050 3.498 -5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.805 2.768 -3.599 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.169 4.131 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.067 1.919 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.691 1.313 -6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.269 3.348 -3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -15.508 2.124 -4.900 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.464 6.138 -3.131 1.00 0.00 N ATOM 1015 CA LEU A 66 -5.022 6.016 -3.001 1.00 0.00 C ATOM 1016 C LEU A 66 -4.568 6.715 -1.717 1.00 0.00 C ATOM 1017 O LEU A 66 -3.768 6.170 -0.958 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.325 6.533 -4.262 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.394 5.621 -5.487 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.713 6.270 -6.694 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.815 4.239 -5.177 1.00 0.00 C ATOM 0 H LEU A 66 -6.782 6.515 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.735 4.968 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.762 7.496 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.276 6.713 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.443 5.479 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.777 5.600 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.211 7.210 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.666 6.463 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.877 3.611 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.772 4.341 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.383 3.780 -4.368 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.099 7.913 -1.515 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.758 8.693 -0.337 1.00 0.00 C ATOM 1035 C GLU A 67 -5.374 8.060 0.913 1.00 0.00 C ATOM 1036 O GLU A 67 -4.673 7.798 1.890 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.207 10.147 -0.494 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.169 10.961 -1.268 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.417 11.916 -0.340 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -2.497 11.429 0.352 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -3.778 13.113 -0.344 1.00 0.00 O ATOM 0 H GLU A 67 -5.762 8.362 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.674 8.693 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.164 10.182 -1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.363 10.591 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.462 10.288 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.662 11.528 -2.057 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.677 7.834 0.843 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.394 7.237 1.957 1.00 0.00 C ATOM 1050 C LYS A 68 -6.616 6.024 2.469 1.00 0.00 C ATOM 1051 O LYS A 68 -6.235 5.974 3.636 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.837 6.919 1.556 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.531 8.153 0.978 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.820 8.465 1.739 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.549 9.657 1.117 1.00 0.00 C ATOM 1056 NZ LYS A 68 -10.833 10.917 1.417 1.00 0.00 N ATOM 0 H LYS A 68 -7.255 8.054 0.032 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.465 7.942 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.845 6.115 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.389 6.561 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.859 9.009 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.758 7.987 -0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.472 7.591 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.588 8.680 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.624 9.522 0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.567 9.710 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.385 11.723 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.709 11.010 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.901 10.905 0.956 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.403 5.075 1.568 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.676 3.865 1.913 1.00 0.00 C ATOM 1072 C ILE A 69 -4.382 4.242 2.637 1.00 0.00 C ATOM 1073 O ILE A 69 -4.109 3.742 3.728 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.456 2.999 0.672 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.782 2.438 0.153 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.435 1.894 0.947 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.783 2.359 -1.375 1.00 0.00 C ATOM 0 H ILE A 69 -6.721 5.120 0.600 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.260 3.253 2.600 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.043 3.630 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.950 1.446 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.605 3.070 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.298 1.293 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.483 2.341 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.795 1.259 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.736 1.957 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.639 3.356 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.974 1.707 -1.706 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.620 5.119 2.002 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.361 5.568 2.572 1.00 0.00 C ATOM 1091 C LEU A 70 -2.624 6.213 3.934 1.00 0.00 C ATOM 1092 O LEU A 70 -1.768 6.178 4.817 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.625 6.483 1.591 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.739 5.783 0.558 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.448 6.704 -0.629 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.544 5.256 1.201 1.00 0.00 C ATOM 0 H LEU A 70 -3.850 5.531 1.098 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.697 4.721 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.364 7.083 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.006 7.174 2.163 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.283 4.921 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.183 6.182 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.385 6.988 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.065 7.599 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.154 4.763 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.102 6.087 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.291 4.542 1.985 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.811 6.786 4.062 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.198 7.438 5.302 1.00 0.00 C ATOM 1110 C LYS A 71 -4.506 6.374 6.358 1.00 0.00 C ATOM 1111 O LYS A 71 -4.437 6.645 7.555 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.351 8.414 5.057 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.917 9.855 5.334 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.124 10.794 5.362 1.00 0.00 C ATOM 1115 CE LYS A 71 -6.493 11.170 6.799 1.00 0.00 C ATOM 1116 NZ LYS A 71 -7.611 12.141 6.810 1.00 0.00 N ATOM 0 H LYS A 71 -4.518 6.813 3.327 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.377 8.042 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.694 8.325 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.194 8.155 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.392 9.904 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.215 10.181 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.901 11.696 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.974 10.314 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.775 10.275 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.627 11.598 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.849 12.385 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.329 13.001 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.442 11.719 6.347 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.840 5.186 5.875 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.158 4.081 6.763 1.00 0.00 C ATOM 1132 C ALA A 72 -4.085 2.997 6.626 1.00 0.00 C ATOM 1133 O ALA A 72 -4.351 1.822 6.871 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.559 3.556 6.442 1.00 0.00 C ATOM 0 H ALA A 72 -4.897 4.965 4.881 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.163 4.412 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.798 2.727 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.288 4.355 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.591 3.212 5.408 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.896 3.433 6.237 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.783 2.516 6.065 1.00 0.00 C ATOM 1142 C ARG A 73 -1.435 1.849 7.397 1.00 0.00 C ATOM 1143 O ARG A 73 -1.026 0.689 7.426 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.548 3.243 5.529 1.00 0.00 C ATOM 1145 CG ARG A 73 0.061 4.152 6.599 1.00 0.00 C ATOM 1146 CD ARG A 73 1.319 4.848 6.075 1.00 0.00 C ATOM 1147 NE ARG A 73 2.009 5.546 7.184 1.00 0.00 N ATOM 1148 CZ ARG A 73 3.051 6.371 7.019 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.532 6.606 5.789 1.00 0.00 N ATOM 1150 NH2 ARG A 73 3.615 6.960 8.081 1.00 0.00 N ATOM 0 H ARG A 73 -2.679 4.409 6.036 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.086 1.758 5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.193 2.514 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.821 3.836 4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.671 4.899 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.308 3.564 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.988 4.116 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.052 5.561 5.295 1.00 0.00 H new ATOM 0 HE ARG A 73 1.669 5.389 8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.104 6.156 4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.326 7.234 5.663 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.251 6.781 9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.409 7.588 7.954 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.610 2.610 8.468 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.320 2.106 9.800 1.00 0.00 C ATOM 1166 C GLU A 74 -2.456 1.203 10.284 1.00 0.00 C ATOM 1167 O GLU A 74 -2.223 0.251 11.027 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.079 3.256 10.779 1.00 0.00 C ATOM 1169 CG GLU A 74 0.298 3.887 10.555 1.00 0.00 C ATOM 1170 CD GLU A 74 1.157 3.790 11.817 1.00 0.00 C ATOM 1171 OE1 GLU A 74 1.567 2.654 12.137 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.384 4.854 12.433 1.00 0.00 O ATOM 0 H GLU A 74 -1.949 3.572 8.440 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.406 1.514 9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.854 4.012 10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.153 2.889 11.803 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.802 3.386 9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.181 4.933 10.270 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.661 1.532 9.844 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.833 0.762 10.224 1.00 0.00 C ATOM 1181 C HIS A 75 -4.858 -0.553 9.443 1.00 0.00 C ATOM 1182 O HIS A 75 -5.152 -1.607 10.004 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.108 1.587 10.037 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.495 2.403 11.246 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -7.100 1.851 12.361 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.353 3.736 11.504 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.311 2.817 13.244 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.847 3.984 12.711 1.00 0.00 N ATOM 0 H HIS A 75 -3.851 2.322 9.227 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.782 0.514 11.284 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.974 2.257 9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.929 0.916 9.787 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.913 4.465 10.839 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.770 2.701 14.215 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.875 4.897 13.165 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.546 -0.449 8.159 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.528 -1.617 7.295 1.00 0.00 C ATOM 1198 C VAL A 76 -3.818 -2.766 8.014 1.00 0.00 C ATOM 1199 O VAL A 76 -2.731 -2.584 8.560 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.887 -1.265 5.952 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.479 -2.529 5.191 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.823 -0.397 5.109 1.00 0.00 C ATOM 0 H VAL A 76 -4.304 0.427 7.696 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.544 -1.947 7.078 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.984 -0.688 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.026 -2.251 4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.760 -3.094 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.360 -3.143 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.343 -0.161 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.751 -0.938 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.043 0.527 5.644 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.461 -3.924 7.989 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.904 -5.103 8.631 1.00 0.00 C ATOM 1214 C ARG A 77 -4.295 -6.364 7.858 1.00 0.00 C ATOM 1215 O ARG A 77 -5.462 -6.548 7.511 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.394 -5.227 10.076 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.964 -6.561 10.687 1.00 0.00 C ATOM 1218 CD ARG A 77 -3.303 -6.351 12.050 1.00 0.00 C ATOM 1219 NE ARG A 77 -4.260 -6.669 13.133 1.00 0.00 N ATOM 1220 CZ ARG A 77 -4.040 -6.414 14.430 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -2.894 -5.836 14.814 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -4.966 -6.738 15.344 1.00 0.00 N ATOM 0 H ARG A 77 -5.362 -4.071 7.534 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.819 -4.997 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.996 -4.405 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.480 -5.143 10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.832 -7.212 10.796 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.269 -7.066 10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.420 -6.985 12.136 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.965 -5.319 12.144 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.143 -7.110 12.876 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.189 -5.590 14.119 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.727 -5.642 15.801 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.838 -7.179 15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.798 -6.544 16.331 1.00 0.00 H new ATOM 1236 N MET A 78 -3.299 -7.201 7.608 1.00 0.00 N ATOM 1237 CA MET A 78 -3.524 -8.438 6.882 1.00 0.00 C ATOM 1238 C MET A 78 -3.445 -9.645 7.818 1.00 0.00 C ATOM 1239 O MET A 78 -2.630 -9.668 8.739 1.00 0.00 O ATOM 1240 CB MET A 78 -2.477 -8.579 5.776 1.00 0.00 C ATOM 1241 CG MET A 78 -2.815 -7.684 4.581 1.00 0.00 C ATOM 1242 SD MET A 78 -1.489 -7.729 3.388 1.00 0.00 S ATOM 1243 CE MET A 78 -2.187 -6.700 2.109 1.00 0.00 C ATOM 0 H MET A 78 -2.333 -7.046 7.896 1.00 0.00 H new ATOM 0 HA MET A 78 -4.523 -8.405 6.446 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.494 -8.315 6.166 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.423 -9.618 5.452 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.743 -8.018 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.977 -6.660 4.918 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.387 -6.301 1.486 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.864 -7.293 1.494 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.737 -5.876 2.564 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.300 -10.620 7.549 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.338 -11.828 8.355 1.00 0.00 C ATOM 1255 C VAL A 79 -4.441 -13.047 7.437 1.00 0.00 C ATOM 1256 O VAL A 79 -5.416 -13.193 6.701 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.480 -11.745 9.370 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.564 -13.024 10.207 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.330 -10.514 10.265 1.00 0.00 C ATOM 0 H VAL A 79 -4.973 -10.598 6.783 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.418 -11.932 8.930 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.413 -11.645 8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.384 -12.939 10.920 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.741 -13.877 9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.628 -13.168 10.746 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.155 -10.479 10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.385 -10.570 10.806 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.343 -9.614 9.651 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.422 -13.891 7.509 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.387 -15.092 6.692 1.00 0.00 C ATOM 1271 C ILE A 80 -4.476 -16.057 7.165 1.00 0.00 C ATOM 1272 O ILE A 80 -4.299 -16.762 8.158 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.983 -15.701 6.695 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.929 -14.650 6.338 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.912 -16.921 5.775 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -1.014 -14.270 4.859 1.00 0.00 C ATOM 0 H ILE A 80 -2.615 -13.767 8.120 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.603 -14.851 5.651 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.763 -16.047 7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.072 -13.762 6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.065 -15.036 6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.904 -17.334 5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.621 -17.676 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.161 -16.624 4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.255 -13.522 4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.847 -15.155 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.002 -13.862 4.644 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.580 -16.059 6.431 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.697 -16.925 6.763 1.00 0.00 C ATOM 1290 C ILE A 81 -6.310 -18.380 6.485 1.00 0.00 C ATOM 1291 O ILE A 81 -6.312 -19.211 7.391 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.961 -16.475 6.028 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.359 -15.056 6.440 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -9.102 -17.473 6.235 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.480 -14.941 7.961 1.00 0.00 C ATOM 0 H ILE A 81 -5.724 -15.474 5.608 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.931 -16.854 7.825 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.744 -16.452 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.617 -14.346 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.309 -14.791 5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.988 -17.128 5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.805 -18.450 5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.327 -17.553 7.299 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.764 -13.923 8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.240 -15.635 8.319 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.522 -15.183 8.422 1.00 0.00 H new