USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 17 ASN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.017 K(o=-0.017,f=-1.5!) USER MOD Single : A 30 THR OG1 : rot 159:sc= 2.26 USER MOD Single : A 31 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.46) USER MOD Single : A 36 GLN : amide:sc= -0.227 K(o=-0.23,f=-2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.3) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 150:sc= -1.25 USER MOD Single : A 60 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 61 CYS SG : rot -118:sc= 0.52 USER MOD Single : A 65 LYS NZ :NH3+ -123:sc= -0.0206 (180deg=-2.43!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -159:sc= -0.0195 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 8.156 -2.635 2.050 1.00 0.00 N ATOM 69 CA PHE A 8 7.013 -1.817 2.438 1.00 0.00 C ATOM 70 C PHE A 8 6.351 -2.370 3.696 1.00 0.00 C ATOM 71 O PHE A 8 6.407 -3.570 3.962 1.00 0.00 O ATOM 72 CB PHE A 8 5.996 -1.752 1.298 1.00 0.00 C ATOM 73 CG PHE A 8 6.521 -1.081 0.061 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.024 0.209 0.118 1.00 0.00 C ATOM 75 CD2 PHE A 8 6.513 -1.741 -1.157 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.508 0.829 -1.018 1.00 0.00 C ATOM 77 CE2 PHE A 8 6.996 -1.125 -2.296 1.00 0.00 C ATOM 78 CZ PHE A 8 7.494 0.161 -2.227 1.00 0.00 C ATOM 0 HA PHE A 8 7.373 -0.811 2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.680 -2.764 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.110 -1.218 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.038 0.736 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.125 -2.747 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.897 1.835 -0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.984 -1.649 -3.240 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.872 0.644 -3.116 1.00 0.00 H new ATOM 88 N ARG A 9 5.724 -1.486 4.465 1.00 0.00 N ATOM 89 CA ARG A 9 5.050 -1.885 5.694 1.00 0.00 C ATOM 90 C ARG A 9 3.751 -1.110 5.878 1.00 0.00 C ATOM 91 O ARG A 9 3.540 -0.074 5.247 1.00 0.00 O ATOM 92 CB ARG A 9 5.967 -1.662 6.898 1.00 0.00 C ATOM 93 CG ARG A 9 7.338 -2.295 6.745 1.00 0.00 C ATOM 94 CD ARG A 9 8.047 -2.423 8.084 1.00 0.00 C ATOM 95 NE ARG A 9 7.495 -3.504 8.896 1.00 0.00 N ATOM 96 CZ ARG A 9 7.677 -3.613 10.209 1.00 0.00 C ATOM 97 NH1 ARG A 9 8.395 -2.708 10.864 1.00 0.00 N ATOM 98 NH2 ARG A 9 7.138 -4.628 10.872 1.00 0.00 N ATOM 0 H ARG A 9 5.669 -0.489 4.258 1.00 0.00 H new ATOM 0 HA ARG A 9 4.811 -2.946 5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.087 -0.591 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.487 -2.066 7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.236 -3.281 6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.944 -1.693 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.109 -2.602 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.965 -1.482 8.629 1.00 0.00 H new ATOM 0 HE ARG A 9 6.937 -4.218 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.810 -1.924 10.360 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.531 -2.797 11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.584 -5.325 10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.278 -4.711 11.879 1.00 0.00 H new ATOM 112 N VAL A 10 2.883 -1.617 6.747 1.00 0.00 N ATOM 113 CA VAL A 10 1.604 -0.971 7.014 1.00 0.00 C ATOM 114 C VAL A 10 1.798 0.342 7.763 1.00 0.00 C ATOM 115 O VAL A 10 2.201 0.351 8.927 1.00 0.00 O ATOM 116 CB VAL A 10 0.673 -1.885 7.834 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.715 -1.270 7.950 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.599 -3.273 7.212 1.00 0.00 C ATOM 0 H VAL A 10 3.042 -2.473 7.278 1.00 0.00 H new ATOM 0 HA VAL A 10 1.143 -0.770 6.047 1.00 0.00 H new ATOM 0 HB VAL A 10 1.086 -1.984 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.358 -1.930 8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.644 -0.302 8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.138 -1.137 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.063 -3.903 7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.212 -3.196 6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.595 -3.715 7.188 1.00 0.00 H new ATOM 128 N GLY A 11 1.511 1.451 7.089 1.00 0.00 N ATOM 129 CA GLY A 11 1.661 2.755 7.707 1.00 0.00 C ATOM 130 C GLY A 11 2.798 3.557 7.104 1.00 0.00 C ATOM 131 O GLY A 11 3.386 4.409 7.770 1.00 0.00 O ATOM 0 H GLY A 11 1.177 1.470 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.731 3.313 7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.836 2.629 8.775 1.00 0.00 H new ATOM 135 N GLU A 12 3.110 3.282 5.841 1.00 0.00 N ATOM 136 CA GLU A 12 4.184 3.984 5.149 1.00 0.00 C ATOM 137 C GLU A 12 3.657 4.692 3.904 1.00 0.00 C ATOM 138 O GLU A 12 2.570 4.383 3.417 1.00 0.00 O ATOM 139 CB GLU A 12 5.295 3.007 4.761 1.00 0.00 C ATOM 140 CG GLU A 12 6.254 2.694 5.899 1.00 0.00 C ATOM 141 CD GLU A 12 7.705 2.708 5.459 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.306 3.803 5.432 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.241 1.625 5.142 1.00 0.00 O ATOM 0 H GLU A 12 2.634 2.578 5.277 1.00 0.00 H new ATOM 0 HA GLU A 12 4.590 4.734 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.845 2.078 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.858 3.423 3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.113 3.422 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.013 1.715 6.313 1.00 0.00 H new ATOM 150 N ARG A 13 4.434 5.642 3.396 1.00 0.00 N ATOM 151 CA ARG A 13 4.045 6.393 2.209 1.00 0.00 C ATOM 152 C ARG A 13 4.682 5.801 0.956 1.00 0.00 C ATOM 153 O ARG A 13 5.890 5.910 0.751 1.00 0.00 O ATOM 154 CB ARG A 13 4.446 7.863 2.354 1.00 0.00 C ATOM 155 CG ARG A 13 3.740 8.787 1.375 1.00 0.00 C ATOM 156 CD ARG A 13 2.497 9.407 1.993 1.00 0.00 C ATOM 157 NE ARG A 13 2.737 10.770 2.457 1.00 0.00 N ATOM 158 CZ ARG A 13 3.015 11.791 1.650 1.00 0.00 C ATOM 159 NH1 ARG A 13 3.087 11.606 0.337 1.00 0.00 N ATOM 160 NH2 ARG A 13 3.220 12.999 2.155 1.00 0.00 N ATOM 0 H ARG A 13 5.337 5.910 3.788 1.00 0.00 H new ATOM 0 HA ARG A 13 2.962 6.328 2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.230 8.191 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.523 7.953 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.423 9.576 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.463 8.229 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.691 9.411 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.164 8.793 2.830 1.00 0.00 H new ATOM 0 HE ARG A 13 2.689 10.951 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.929 10.678 -0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.300 12.391 -0.278 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.165 13.147 3.163 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.433 13.781 1.536 1.00 0.00 H new ATOM 174 N VAL A 14 3.859 5.175 0.120 1.00 0.00 N ATOM 175 CA VAL A 14 4.342 4.566 -1.113 1.00 0.00 C ATOM 176 C VAL A 14 3.905 5.373 -2.330 1.00 0.00 C ATOM 177 O VAL A 14 3.229 6.393 -2.200 1.00 0.00 O ATOM 178 CB VAL A 14 3.834 3.120 -1.261 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.584 2.190 -0.320 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.335 3.051 -1.011 1.00 0.00 C ATOM 0 H VAL A 14 2.856 5.077 0.275 1.00 0.00 H new ATOM 0 HA VAL A 14 5.431 4.557 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 14 4.023 2.792 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.211 1.173 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.648 2.216 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.432 2.514 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.995 2.021 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.118 3.400 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.816 3.683 -1.732 1.00 0.00 H new ATOM 190 N TRP A 15 4.296 4.912 -3.513 1.00 0.00 N ATOM 191 CA TRP A 15 3.944 5.592 -4.754 1.00 0.00 C ATOM 192 C TRP A 15 3.546 4.588 -5.831 1.00 0.00 C ATOM 193 O TRP A 15 4.391 3.869 -6.366 1.00 0.00 O ATOM 194 CB TRP A 15 5.115 6.448 -5.241 1.00 0.00 C ATOM 195 CG TRP A 15 4.865 7.920 -5.123 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.504 8.773 -6.126 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.955 8.714 -3.934 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.366 10.049 -5.634 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.638 10.038 -4.290 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.275 8.433 -2.602 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.629 11.078 -3.364 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.266 9.466 -1.683 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.945 10.774 -2.068 1.00 0.00 C ATOM 0 H TRP A 15 4.857 4.070 -3.639 1.00 0.00 H new ATOM 0 HA TRP A 15 3.090 6.239 -4.555 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.006 6.191 -4.668 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.325 6.205 -6.283 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.349 8.487 -7.156 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.104 10.870 -6.180 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.525 7.428 -2.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.382 12.087 -3.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.511 9.261 -0.651 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.947 11.559 -1.326 1.00 0.00 H new ATOM 214 N VAL A 16 2.256 4.543 -6.145 1.00 0.00 N ATOM 215 CA VAL A 16 1.747 3.627 -7.159 1.00 0.00 C ATOM 216 C VAL A 16 2.001 4.167 -8.562 1.00 0.00 C ATOM 217 O VAL A 16 1.610 5.288 -8.887 1.00 0.00 O ATOM 218 CB VAL A 16 0.238 3.376 -6.982 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.232 2.269 -7.914 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.081 3.036 -5.534 1.00 0.00 C ATOM 0 H VAL A 16 1.543 5.130 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 16 2.281 2.685 -7.033 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.297 4.290 -7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.301 2.106 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.041 2.558 -8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.308 1.350 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.152 2.862 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.463 2.137 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.217 3.865 -4.892 1.00 0.00 H new ATOM 230 N ASN A 17 2.660 3.362 -9.388 1.00 0.00 N ATOM 231 CA ASN A 17 2.970 3.758 -10.759 1.00 0.00 C ATOM 232 C ASN A 17 3.890 4.976 -10.788 1.00 0.00 C ATOM 233 O ASN A 17 4.004 5.652 -11.810 1.00 0.00 O ATOM 234 CB ASN A 17 1.680 4.060 -11.527 1.00 0.00 C ATOM 235 CG ASN A 17 1.211 2.880 -12.356 1.00 0.00 C ATOM 236 OD1 ASN A 17 1.683 2.665 -13.473 1.00 0.00 O ATOM 237 ND2 ASN A 17 0.279 2.108 -11.813 1.00 0.00 N ATOM 0 H ASN A 17 2.990 2.431 -9.133 1.00 0.00 H new ATOM 0 HA ASN A 17 3.488 2.928 -11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.897 4.339 -10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.841 4.918 -12.180 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.075 1.299 -12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.084 2.323 -10.884 1.00 0.00 H new ATOM 244 N GLY A 18 4.547 5.251 -9.664 1.00 0.00 N ATOM 245 CA GLY A 18 5.447 6.387 -9.591 1.00 0.00 C ATOM 246 C GLY A 18 4.744 7.708 -9.837 1.00 0.00 C ATOM 247 O GLY A 18 5.302 8.609 -10.461 1.00 0.00 O ATOM 0 H GLY A 18 4.472 4.708 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.919 6.409 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.243 6.262 -10.325 1.00 0.00 H new ATOM 251 N ASN A 19 3.513 7.822 -9.347 1.00 0.00 N ATOM 252 CA ASN A 19 2.734 9.045 -9.517 1.00 0.00 C ATOM 253 C ASN A 19 1.394 8.943 -8.796 1.00 0.00 C ATOM 254 O ASN A 19 0.378 9.443 -9.280 1.00 0.00 O ATOM 255 CB ASN A 19 2.508 9.329 -11.003 1.00 0.00 C ATOM 256 CG ASN A 19 1.782 8.198 -11.706 1.00 0.00 C ATOM 257 OD1 ASN A 19 2.388 7.417 -12.441 1.00 0.00 O ATOM 258 ND2 ASN A 19 0.475 8.106 -11.488 1.00 0.00 N ATOM 0 H ASN A 19 3.034 7.084 -8.830 1.00 0.00 H new ATOM 0 HA ASN A 19 3.298 9.868 -9.079 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.932 10.248 -11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.470 9.496 -11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.066 7.367 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.013 8.774 -10.872 1.00 0.00 H new ATOM 265 N LYS A 20 1.396 8.297 -7.635 1.00 0.00 N ATOM 266 CA LYS A 20 0.179 8.133 -6.849 1.00 0.00 C ATOM 267 C LYS A 20 0.507 7.792 -5.398 1.00 0.00 C ATOM 268 O LYS A 20 0.586 6.620 -5.030 1.00 0.00 O ATOM 269 CB LYS A 20 -0.702 7.039 -7.457 1.00 0.00 C ATOM 270 CG LYS A 20 -1.457 7.487 -8.697 1.00 0.00 C ATOM 271 CD LYS A 20 -2.586 6.526 -9.039 1.00 0.00 C ATOM 272 CE LYS A 20 -3.687 7.216 -9.829 1.00 0.00 C ATOM 273 NZ LYS A 20 -4.056 6.450 -11.052 1.00 0.00 N ATOM 0 H LYS A 20 2.227 7.878 -7.217 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.364 9.078 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.079 6.181 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.418 6.702 -6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.864 8.485 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.768 7.555 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.191 5.691 -9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.002 6.110 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.567 7.336 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.359 8.216 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.809 6.953 -11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.223 6.357 -11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.394 5.504 -10.781 1.00 0.00 H new ATOM 287 N PRO A 21 0.705 8.817 -4.550 1.00 0.00 N ATOM 288 CA PRO A 21 1.026 8.618 -3.132 1.00 0.00 C ATOM 289 C PRO A 21 -0.140 8.017 -2.353 1.00 0.00 C ATOM 290 O PRO A 21 -1.303 8.298 -2.641 1.00 0.00 O ATOM 291 CB PRO A 21 1.330 10.033 -2.631 1.00 0.00 C ATOM 292 CG PRO A 21 0.604 10.933 -3.569 1.00 0.00 C ATOM 293 CD PRO A 21 0.631 10.246 -4.906 1.00 0.00 C ATOM 0 HA PRO A 21 1.851 7.918 -2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.988 10.171 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.401 10.234 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.421 11.099 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.084 11.910 -3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.261 10.469 -5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.489 10.557 -5.501 1.00 0.00 H new ATOM 301 N GLY A 22 0.182 7.188 -1.365 1.00 0.00 N ATOM 302 CA GLY A 22 -0.849 6.560 -0.560 1.00 0.00 C ATOM 303 C GLY A 22 -0.278 5.789 0.614 1.00 0.00 C ATOM 304 O GLY A 22 0.830 5.256 0.536 1.00 0.00 O ATOM 0 H GLY A 22 1.137 6.940 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.533 7.324 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.433 5.884 -1.185 1.00 0.00 H new ATOM 308 N PHE A 23 -1.034 5.729 1.705 1.00 0.00 N ATOM 309 CA PHE A 23 -0.595 5.018 2.901 1.00 0.00 C ATOM 310 C PHE A 23 -1.037 3.559 2.859 1.00 0.00 C ATOM 311 O PHE A 23 -2.160 3.251 2.460 1.00 0.00 O ATOM 312 CB PHE A 23 -1.151 5.695 4.155 1.00 0.00 C ATOM 313 CG PHE A 23 -0.392 6.927 4.558 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.889 6.829 5.077 1.00 0.00 C ATOM 315 CD2 PHE A 23 -0.960 8.184 4.417 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.589 7.960 5.449 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.264 9.318 4.788 1.00 0.00 C ATOM 318 CZ PHE A 23 1.013 9.207 5.303 1.00 0.00 C ATOM 0 H PHE A 23 -1.953 6.164 1.786 1.00 0.00 H new ATOM 0 HA PHE A 23 0.494 5.049 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.194 5.961 3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.136 4.983 4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.345 5.857 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.957 8.277 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.586 7.869 5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.718 10.291 4.675 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.560 10.093 5.591 1.00 0.00 H new ATOM 328 N ILE A 24 -0.148 2.664 3.275 1.00 0.00 N ATOM 329 CA ILE A 24 -0.446 1.238 3.286 1.00 0.00 C ATOM 330 C ILE A 24 -1.208 0.846 4.547 1.00 0.00 C ATOM 331 O ILE A 24 -0.768 1.125 5.663 1.00 0.00 O ATOM 332 CB ILE A 24 0.840 0.393 3.194 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.727 0.898 2.054 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.496 -1.075 2.995 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.151 0.390 2.127 1.00 0.00 C ATOM 0 H ILE A 24 0.786 2.902 3.609 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.066 1.038 2.412 1.00 0.00 H new ATOM 0 HB ILE A 24 1.391 0.493 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.290 0.595 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.737 1.988 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.414 -1.659 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.100 -1.426 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.073 -1.194 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.723 0.788 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.606 0.715 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.152 -0.699 2.083 1.00 0.00 H new ATOM 347 N GLN A 25 -2.353 0.197 4.363 1.00 0.00 N ATOM 348 CA GLN A 25 -3.177 -0.234 5.487 1.00 0.00 C ATOM 349 C GLN A 25 -3.239 -1.756 5.565 1.00 0.00 C ATOM 350 O GLN A 25 -3.239 -2.332 6.653 1.00 0.00 O ATOM 351 CB GLN A 25 -4.589 0.340 5.359 1.00 0.00 C ATOM 352 CG GLN A 25 -4.648 1.851 5.513 1.00 0.00 C ATOM 353 CD GLN A 25 -4.500 2.296 6.955 1.00 0.00 C ATOM 354 OE1 GLN A 25 -4.660 1.501 7.882 1.00 0.00 O ATOM 355 NE2 GLN A 25 -4.193 3.572 7.152 1.00 0.00 N ATOM 0 H GLN A 25 -2.732 -0.042 3.447 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.721 0.140 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.997 0.066 4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.228 -0.119 6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.859 2.305 4.914 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.597 2.216 5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.070 4.196 6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.080 3.929 8.101 1.00 0.00 H new ATOM 364 N PHE A 26 -3.292 -2.401 4.405 1.00 0.00 N ATOM 365 CA PHE A 26 -3.354 -3.857 4.342 1.00 0.00 C ATOM 366 C PHE A 26 -2.263 -4.409 3.429 1.00 0.00 C ATOM 367 O PHE A 26 -1.882 -3.773 2.447 1.00 0.00 O ATOM 368 CB PHE A 26 -4.728 -4.309 3.844 1.00 0.00 C ATOM 369 CG PHE A 26 -5.067 -5.723 4.218 1.00 0.00 C ATOM 370 CD1 PHE A 26 -4.950 -6.153 5.530 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.504 -6.622 3.258 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.261 -7.454 5.877 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.816 -7.924 3.600 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.694 -8.340 4.911 1.00 0.00 C ATOM 0 H PHE A 26 -3.293 -1.939 3.496 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.193 -4.246 5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.489 -3.642 4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.762 -4.211 2.759 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.612 -5.464 6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.602 -6.301 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.165 -7.777 6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.155 -8.615 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.937 -9.357 5.180 1.00 0.00 H new ATOM 384 N LEU A 27 -1.766 -5.596 3.760 1.00 0.00 N ATOM 385 CA LEU A 27 -0.720 -6.233 2.970 1.00 0.00 C ATOM 386 C LEU A 27 -0.935 -7.740 2.896 1.00 0.00 C ATOM 387 O LEU A 27 -0.641 -8.469 3.843 1.00 0.00 O ATOM 388 CB LEU A 27 0.656 -5.933 3.571 1.00 0.00 C ATOM 389 CG LEU A 27 1.235 -4.564 3.208 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.360 -4.190 4.161 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.729 -4.561 1.769 1.00 0.00 C ATOM 0 H LEU A 27 -2.071 -6.136 4.570 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.765 -5.827 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.585 -6.005 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.354 -6.704 3.245 1.00 0.00 H new ATOM 0 HG LEU A 27 0.445 -3.819 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.759 -3.213 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.976 -4.152 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.152 -4.936 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.138 -3.580 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.505 -5.317 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.899 -4.784 1.099 1.00 0.00 H new ATOM 403 N GLY A 28 -1.452 -8.203 1.761 1.00 0.00 N ATOM 404 CA GLY A 28 -1.700 -9.621 1.582 1.00 0.00 C ATOM 405 C GLY A 28 -2.663 -9.903 0.446 1.00 0.00 C ATOM 406 O GLY A 28 -3.053 -8.993 -0.285 1.00 0.00 O ATOM 0 H GLY A 28 -1.703 -7.620 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.756 -10.130 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.102 -10.036 2.506 1.00 0.00 H new ATOM 410 N GLU A 29 -3.046 -11.167 0.297 1.00 0.00 N ATOM 411 CA GLU A 29 -3.970 -11.565 -0.759 1.00 0.00 C ATOM 412 C GLU A 29 -5.390 -11.106 -0.443 1.00 0.00 C ATOM 413 O GLU A 29 -5.637 -10.488 0.593 1.00 0.00 O ATOM 414 CB GLU A 29 -3.942 -13.083 -0.944 1.00 0.00 C ATOM 415 CG GLU A 29 -4.374 -13.855 0.292 1.00 0.00 C ATOM 416 CD GLU A 29 -5.510 -14.820 0.013 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.228 -15.976 -0.366 1.00 0.00 O ATOM 418 OE2 GLU A 29 -6.682 -14.418 0.173 1.00 0.00 O ATOM 0 H GLU A 29 -2.731 -11.932 0.893 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.651 -11.086 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.593 -13.351 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.932 -13.389 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.521 -14.408 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.682 -13.151 1.065 1.00 0.00 H new ATOM 425 N THR A 30 -6.319 -11.411 -1.341 1.00 0.00 N ATOM 426 CA THR A 30 -7.715 -11.030 -1.157 1.00 0.00 C ATOM 427 C THR A 30 -8.638 -12.225 -1.369 1.00 0.00 C ATOM 428 O THR A 30 -8.178 -13.351 -1.563 1.00 0.00 O ATOM 429 CB THR A 30 -8.089 -9.904 -2.124 1.00 0.00 C ATOM 430 OG1 THR A 30 -8.008 -10.350 -3.467 1.00 0.00 O ATOM 431 CG2 THR A 30 -7.205 -8.683 -1.992 1.00 0.00 C ATOM 0 H THR A 30 -6.131 -11.921 -2.204 1.00 0.00 H new ATOM 0 HA THR A 30 -7.838 -10.677 -0.133 1.00 0.00 H new ATOM 0 HB THR A 30 -9.109 -9.624 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.553 -9.769 -4.038 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.524 -7.924 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.283 -8.285 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.170 -8.959 -2.195 1.00 0.00 H new ATOM 439 N GLN A 31 -9.942 -11.973 -1.332 1.00 0.00 N ATOM 440 CA GLN A 31 -10.930 -13.028 -1.520 1.00 0.00 C ATOM 441 C GLN A 31 -11.429 -13.057 -2.961 1.00 0.00 C ATOM 442 O GLN A 31 -11.788 -14.113 -3.484 1.00 0.00 O ATOM 443 CB GLN A 31 -12.108 -12.830 -0.564 1.00 0.00 C ATOM 444 CG GLN A 31 -11.918 -13.505 0.785 1.00 0.00 C ATOM 445 CD GLN A 31 -13.148 -14.269 1.234 1.00 0.00 C ATOM 446 OE1 GLN A 31 -13.785 -14.963 0.442 1.00 0.00 O ATOM 447 NE2 GLN A 31 -13.489 -14.144 2.511 1.00 0.00 N ATOM 0 H GLN A 31 -10.339 -11.047 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.450 -13.982 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.263 -11.762 -0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.013 -13.218 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.071 -14.189 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.670 -12.751 1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.932 -13.558 3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.308 -14.634 2.870 1.00 0.00 H new ATOM 456 N PHE A 32 -11.451 -11.891 -3.598 1.00 0.00 N ATOM 457 CA PHE A 32 -11.907 -11.783 -4.980 1.00 0.00 C ATOM 458 C PHE A 32 -10.886 -12.387 -5.939 1.00 0.00 C ATOM 459 O PHE A 32 -11.251 -13.057 -6.905 1.00 0.00 O ATOM 460 CB PHE A 32 -12.161 -10.319 -5.341 1.00 0.00 C ATOM 461 CG PHE A 32 -10.952 -9.440 -5.177 1.00 0.00 C ATOM 462 CD1 PHE A 32 -10.049 -9.281 -6.216 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.721 -8.775 -3.984 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.938 -8.473 -6.067 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.611 -7.966 -3.830 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.719 -7.815 -4.872 1.00 0.00 C ATOM 0 H PHE A 32 -11.159 -11.008 -3.180 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.839 -12.340 -5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.503 -10.262 -6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.967 -9.934 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.215 -9.794 -7.152 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.416 -8.890 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.241 -8.356 -6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.442 -7.453 -2.895 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.851 -7.183 -4.754 1.00 0.00 H new ATOM 476 N ALA A 33 -9.608 -12.144 -5.668 1.00 0.00 N ATOM 477 CA ALA A 33 -8.537 -12.665 -6.508 1.00 0.00 C ATOM 478 C ALA A 33 -7.616 -13.591 -5.715 1.00 0.00 C ATOM 479 O ALA A 33 -7.166 -13.242 -4.623 1.00 0.00 O ATOM 480 CB ALA A 33 -7.739 -11.519 -7.114 1.00 0.00 C ATOM 0 H ALA A 33 -9.289 -11.590 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.989 -13.246 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.942 -11.921 -7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.398 -10.898 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.305 -10.916 -6.316 1.00 0.00 H new ATOM 486 N PRO A 34 -7.322 -14.790 -6.252 1.00 0.00 N ATOM 487 CA PRO A 34 -6.451 -15.760 -5.584 1.00 0.00 C ATOM 488 C PRO A 34 -4.973 -15.413 -5.731 1.00 0.00 C ATOM 489 O PRO A 34 -4.186 -16.206 -6.249 1.00 0.00 O ATOM 490 CB PRO A 34 -6.771 -17.063 -6.312 1.00 0.00 C ATOM 491 CG PRO A 34 -7.144 -16.638 -7.690 1.00 0.00 C ATOM 492 CD PRO A 34 -7.813 -15.295 -7.551 1.00 0.00 C ATOM 0 HA PRO A 34 -6.623 -15.798 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.912 -17.733 -6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.587 -17.599 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.263 -16.569 -8.328 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.816 -17.361 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.542 -14.627 -8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.899 -15.386 -7.560 1.00 0.00 H new ATOM 500 N GLY A 35 -4.601 -14.221 -5.273 1.00 0.00 N ATOM 501 CA GLY A 35 -3.217 -13.792 -5.364 1.00 0.00 C ATOM 502 C GLY A 35 -2.857 -12.767 -4.307 1.00 0.00 C ATOM 503 O GLY A 35 -3.721 -12.299 -3.566 1.00 0.00 O ATOM 0 H GLY A 35 -5.232 -13.546 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.564 -14.659 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.035 -13.370 -6.352 1.00 0.00 H new ATOM 507 N GLN A 36 -1.576 -12.420 -4.236 1.00 0.00 N ATOM 508 CA GLN A 36 -1.102 -11.443 -3.262 1.00 0.00 C ATOM 509 C GLN A 36 -1.410 -10.022 -3.722 1.00 0.00 C ATOM 510 O GLN A 36 -1.365 -9.721 -4.915 1.00 0.00 O ATOM 511 CB GLN A 36 0.404 -11.608 -3.036 1.00 0.00 C ATOM 512 CG GLN A 36 0.757 -12.127 -1.652 1.00 0.00 C ATOM 513 CD GLN A 36 0.922 -13.634 -1.619 1.00 0.00 C ATOM 514 OE1 GLN A 36 1.235 -14.257 -2.632 1.00 0.00 O ATOM 515 NE2 GLN A 36 0.711 -14.227 -0.449 1.00 0.00 N ATOM 0 H GLN A 36 -0.848 -12.800 -4.841 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.624 -11.620 -2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.803 -12.293 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.894 -10.647 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.681 -11.657 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.023 -11.835 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.453 -13.670 0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.807 -15.239 -0.365 1.00 0.00 H new ATOM 524 N TRP A 37 -1.723 -9.151 -2.768 1.00 0.00 N ATOM 525 CA TRP A 37 -2.039 -7.761 -3.074 1.00 0.00 C ATOM 526 C TRP A 37 -1.531 -6.834 -1.976 1.00 0.00 C ATOM 527 O TRP A 37 -1.065 -7.289 -0.932 1.00 0.00 O ATOM 528 CB TRP A 37 -3.548 -7.586 -3.250 1.00 0.00 C ATOM 529 CG TRP A 37 -4.092 -8.286 -4.458 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.567 -9.564 -4.520 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.215 -7.747 -5.779 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.978 -9.854 -5.798 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.772 -8.754 -6.590 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.909 -6.511 -6.355 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -5.029 -8.562 -7.945 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.163 -6.321 -7.700 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.720 -7.341 -8.482 1.00 0.00 C ATOM 0 H TRP A 37 -1.765 -9.384 -1.776 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.540 -7.497 -4.006 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.056 -7.962 -2.362 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.777 -6.523 -3.322 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.613 -10.248 -3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.372 -10.742 -6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.481 -5.718 -5.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.457 -9.348 -8.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.928 -5.370 -8.156 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.910 -7.161 -9.530 1.00 0.00 H new ATOM 548 N ALA A 38 -1.627 -5.530 -2.218 1.00 0.00 N ATOM 549 CA ALA A 38 -1.178 -4.539 -1.249 1.00 0.00 C ATOM 550 C ALA A 38 -2.165 -3.379 -1.152 1.00 0.00 C ATOM 551 O ALA A 38 -2.237 -2.537 -2.048 1.00 0.00 O ATOM 552 CB ALA A 38 0.206 -4.027 -1.619 1.00 0.00 C ATOM 0 H ALA A 38 -2.012 -5.136 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.126 -5.020 -0.272 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.528 -3.287 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.911 -4.858 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.172 -3.568 -2.607 1.00 0.00 H new ATOM 558 N GLY A 39 -2.924 -3.344 -0.063 1.00 0.00 N ATOM 559 CA GLY A 39 -3.897 -2.285 0.130 1.00 0.00 C ATOM 560 C GLY A 39 -3.247 -0.951 0.442 1.00 0.00 C ATOM 561 O GLY A 39 -2.350 -0.870 1.281 1.00 0.00 O ATOM 0 H GLY A 39 -2.883 -4.030 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.507 -2.188 -0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.569 -2.557 0.943 1.00 0.00 H new ATOM 565 N ILE A 40 -3.702 0.099 -0.235 1.00 0.00 N ATOM 566 CA ILE A 40 -3.160 1.436 -0.026 1.00 0.00 C ATOM 567 C ILE A 40 -4.272 2.476 0.036 1.00 0.00 C ATOM 568 O ILE A 40 -5.379 2.246 -0.452 1.00 0.00 O ATOM 569 CB ILE A 40 -2.173 1.823 -1.144 1.00 0.00 C ATOM 570 CG1 ILE A 40 -1.160 0.700 -1.373 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.462 3.122 -0.795 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.369 0.851 -2.655 1.00 0.00 C ATOM 0 H ILE A 40 -4.444 0.049 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.630 1.417 0.926 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.733 1.974 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.469 0.668 -0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.686 -0.255 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.768 3.383 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.197 3.919 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.911 2.996 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.329 0.020 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.051 0.853 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.185 1.789 -2.632 1.00 0.00 H new ATOM 584 N VAL A 41 -3.972 3.621 0.641 1.00 0.00 N ATOM 585 CA VAL A 41 -4.947 4.697 0.767 1.00 0.00 C ATOM 586 C VAL A 41 -4.474 5.955 0.046 1.00 0.00 C ATOM 587 O VAL A 41 -3.533 6.617 0.483 1.00 0.00 O ATOM 588 CB VAL A 41 -5.218 5.038 2.244 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.376 6.018 2.363 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.496 3.774 3.042 1.00 0.00 C ATOM 0 H VAL A 41 -3.061 3.827 1.051 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.870 4.343 0.307 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.328 5.512 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.552 6.247 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.132 6.936 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.274 5.574 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.685 4.035 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.370 3.269 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.633 3.111 2.985 1.00 0.00 H new ATOM 600 N LEU A 42 -5.134 6.279 -1.061 1.00 0.00 N ATOM 601 CA LEU A 42 -4.781 7.458 -1.844 1.00 0.00 C ATOM 602 C LEU A 42 -5.229 8.734 -1.137 1.00 0.00 C ATOM 603 O LEU A 42 -6.213 8.733 -0.397 1.00 0.00 O ATOM 604 CB LEU A 42 -5.415 7.382 -3.234 1.00 0.00 C ATOM 605 CG LEU A 42 -5.044 6.142 -4.048 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.025 5.942 -5.193 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.622 6.258 -4.575 1.00 0.00 C ATOM 0 H LEU A 42 -5.916 5.742 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.696 7.483 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.499 7.415 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.125 8.268 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.099 5.271 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.745 5.055 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.031 5.814 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.003 6.814 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.374 5.367 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.541 7.138 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.930 6.352 -3.738 1.00 0.00 H new ATOM 619 N ASP A 43 -4.500 9.820 -1.371 1.00 0.00 N ATOM 620 CA ASP A 43 -4.822 11.103 -0.756 1.00 0.00 C ATOM 621 C ASP A 43 -6.089 11.695 -1.365 1.00 0.00 C ATOM 622 O ASP A 43 -6.911 12.285 -0.663 1.00 0.00 O ATOM 623 CB ASP A 43 -3.658 12.080 -0.925 1.00 0.00 C ATOM 624 CG ASP A 43 -3.316 12.326 -2.381 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.686 11.443 -3.002 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.679 13.402 -2.903 1.00 0.00 O ATOM 0 H ASP A 43 -3.683 9.838 -1.981 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.995 10.935 0.307 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.911 13.027 -0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.781 11.688 -0.410 1.00 0.00 H new ATOM 631 N GLU A 44 -6.241 11.533 -2.675 1.00 0.00 N ATOM 632 CA GLU A 44 -7.408 12.051 -3.380 1.00 0.00 C ATOM 633 C GLU A 44 -8.321 10.914 -3.830 1.00 0.00 C ATOM 634 O GLU A 44 -7.859 9.805 -4.100 1.00 0.00 O ATOM 635 CB GLU A 44 -6.974 12.882 -4.589 1.00 0.00 C ATOM 636 CG GLU A 44 -5.859 12.241 -5.400 1.00 0.00 C ATOM 637 CD GLU A 44 -5.517 13.032 -6.647 1.00 0.00 C ATOM 638 OE1 GLU A 44 -6.178 12.819 -7.686 1.00 0.00 O ATOM 639 OE2 GLU A 44 -4.588 13.866 -6.586 1.00 0.00 O ATOM 0 H GLU A 44 -5.570 11.047 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.963 12.688 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.836 13.044 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.645 13.863 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.969 12.148 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.156 11.231 -5.684 1.00 0.00 H new ATOM 646 N PRO A 45 -9.637 11.175 -3.919 1.00 0.00 N ATOM 647 CA PRO A 45 -10.615 10.167 -4.339 1.00 0.00 C ATOM 648 C PRO A 45 -10.487 9.816 -5.818 1.00 0.00 C ATOM 649 O PRO A 45 -11.215 10.347 -6.657 1.00 0.00 O ATOM 650 CB PRO A 45 -11.961 10.841 -4.066 1.00 0.00 C ATOM 651 CG PRO A 45 -11.674 12.301 -4.133 1.00 0.00 C ATOM 652 CD PRO A 45 -10.273 12.471 -3.616 1.00 0.00 C ATOM 0 HA PRO A 45 -10.480 9.224 -3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.707 10.550 -4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.354 10.559 -3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.760 12.669 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.384 12.867 -3.530 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.760 13.296 -4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.262 12.684 -2.547 1.00 0.00 H new ATOM 660 N ILE A 46 -9.557 8.920 -6.130 1.00 0.00 N ATOM 661 CA ILE A 46 -9.335 8.499 -7.508 1.00 0.00 C ATOM 662 C ILE A 46 -9.035 7.005 -7.586 1.00 0.00 C ATOM 663 O ILE A 46 -8.313 6.553 -8.475 1.00 0.00 O ATOM 664 CB ILE A 46 -8.174 9.279 -8.155 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.884 9.074 -7.360 1.00 0.00 C ATOM 666 CG2 ILE A 46 -8.518 10.759 -8.246 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.657 9.635 -8.044 1.00 0.00 C ATOM 0 H ILE A 46 -8.945 8.472 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.254 8.711 -8.054 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.018 8.898 -9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.991 9.543 -6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.738 8.008 -7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.689 11.298 -8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.414 10.888 -8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.697 11.153 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.780 9.454 -7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.525 9.148 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.781 10.708 -8.192 1.00 0.00 H new ATOM 679 N GLY A 47 -9.595 6.245 -6.652 1.00 0.00 N ATOM 680 CA GLY A 47 -9.378 4.811 -6.634 1.00 0.00 C ATOM 681 C GLY A 47 -10.547 4.040 -7.216 1.00 0.00 C ATOM 682 O GLY A 47 -11.392 4.610 -7.906 1.00 0.00 O ATOM 0 H GLY A 47 -10.196 6.597 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.475 4.576 -7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.207 4.485 -5.608 1.00 0.00 H new ATOM 686 N LYS A 48 -10.596 2.742 -6.936 1.00 0.00 N ATOM 687 CA LYS A 48 -11.671 1.894 -7.436 1.00 0.00 C ATOM 688 C LYS A 48 -12.589 1.453 -6.302 1.00 0.00 C ATOM 689 O LYS A 48 -13.789 1.261 -6.499 1.00 0.00 O ATOM 690 CB LYS A 48 -11.093 0.668 -8.147 1.00 0.00 C ATOM 691 CG LYS A 48 -10.822 0.893 -9.624 1.00 0.00 C ATOM 692 CD LYS A 48 -10.916 -0.404 -10.412 1.00 0.00 C ATOM 693 CE LYS A 48 -9.589 -1.145 -10.426 1.00 0.00 C ATOM 694 NZ LYS A 48 -9.514 -2.170 -9.350 1.00 0.00 N ATOM 0 H LYS A 48 -9.904 2.255 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.257 2.475 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.164 0.378 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.786 -0.166 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.537 1.613 -10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.830 1.326 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.685 -1.041 -9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.224 -0.188 -11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.452 -1.625 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.774 -0.432 -10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.594 -2.653 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.619 -1.709 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.276 -2.866 -9.479 1.00 0.00 H new ATOM 708 N ASN A 49 -12.018 1.293 -5.113 1.00 0.00 N ATOM 709 CA ASN A 49 -12.786 0.874 -3.945 1.00 0.00 C ATOM 710 C ASN A 49 -12.543 1.815 -2.769 1.00 0.00 C ATOM 711 O ASN A 49 -11.491 2.449 -2.675 1.00 0.00 O ATOM 712 CB ASN A 49 -12.417 -0.557 -3.552 1.00 0.00 C ATOM 713 CG ASN A 49 -12.420 -1.501 -4.738 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.478 -1.917 -5.212 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.233 -1.847 -5.222 1.00 0.00 N ATOM 0 H ASN A 49 -11.026 1.447 -4.932 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.844 0.910 -4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.430 -0.561 -3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.121 -0.918 -2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.172 -2.482 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.382 -1.478 -4.798 1.00 0.00 H new ATOM 722 N ASP A 50 -13.521 1.900 -1.874 1.00 0.00 N ATOM 723 CA ASP A 50 -13.414 2.762 -0.703 1.00 0.00 C ATOM 724 C ASP A 50 -13.072 1.950 0.541 1.00 0.00 C ATOM 725 O ASP A 50 -13.477 2.295 1.651 1.00 0.00 O ATOM 726 CB ASP A 50 -14.722 3.527 -0.485 1.00 0.00 C ATOM 727 CG ASP A 50 -15.934 2.617 -0.521 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.978 1.652 0.270 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.842 2.872 -1.341 1.00 0.00 O ATOM 0 H ASP A 50 -14.397 1.382 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.610 3.476 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.684 4.040 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.824 4.294 -1.252 1.00 0.00 H new ATOM 734 N GLY A 51 -12.324 0.868 0.347 1.00 0.00 N ATOM 735 CA GLY A 51 -11.940 0.022 1.462 1.00 0.00 C ATOM 736 C GLY A 51 -12.715 -1.281 1.494 1.00 0.00 C ATOM 737 O GLY A 51 -12.871 -1.891 2.553 1.00 0.00 O ATOM 0 H GLY A 51 -11.977 0.562 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.874 -0.194 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.102 0.561 2.396 1.00 0.00 H new ATOM 741 N SER A 52 -13.199 -1.711 0.334 1.00 0.00 N ATOM 742 CA SER A 52 -13.961 -2.950 0.234 1.00 0.00 C ATOM 743 C SER A 52 -13.978 -3.465 -1.201 1.00 0.00 C ATOM 744 O SER A 52 -14.274 -2.719 -2.135 1.00 0.00 O ATOM 745 CB SER A 52 -15.394 -2.733 0.727 1.00 0.00 C ATOM 746 OG SER A 52 -15.981 -3.955 1.143 1.00 0.00 O ATOM 0 H SER A 52 -13.077 -1.219 -0.551 1.00 0.00 H new ATOM 0 HA SER A 52 -13.476 -3.697 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.393 -2.025 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.993 -2.291 -0.069 1.00 0.00 H new ATOM 0 HG SER A 52 -16.895 -3.789 1.455 1.00 0.00 H new ATOM 752 N VAL A 53 -13.655 -4.742 -1.371 1.00 0.00 N ATOM 753 CA VAL A 53 -13.632 -5.356 -2.693 1.00 0.00 C ATOM 754 C VAL A 53 -14.429 -6.655 -2.711 1.00 0.00 C ATOM 755 O VAL A 53 -14.134 -7.588 -1.964 1.00 0.00 O ATOM 756 CB VAL A 53 -12.191 -5.645 -3.153 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.174 -6.109 -4.602 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.314 -4.416 -2.970 1.00 0.00 C ATOM 0 H VAL A 53 -13.405 -5.373 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.089 -4.644 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.787 -6.446 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.147 -6.308 -4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.765 -7.020 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.598 -5.332 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.300 -4.640 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.714 -3.592 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.298 -4.134 -1.917 1.00 0.00 H new ATOM 768 N ALA A 54 -15.443 -6.709 -3.569 1.00 0.00 N ATOM 769 CA ALA A 54 -16.285 -7.894 -3.683 1.00 0.00 C ATOM 770 C ALA A 54 -16.968 -8.213 -2.358 1.00 0.00 C ATOM 771 O ALA A 54 -17.237 -9.375 -2.052 1.00 0.00 O ATOM 772 CB ALA A 54 -15.461 -9.082 -4.155 1.00 0.00 C ATOM 0 H ALA A 54 -15.701 -5.946 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.061 -7.688 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.102 -9.960 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.026 -8.859 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.664 -9.279 -3.439 1.00 0.00 H new ATOM 778 N GLY A 55 -17.246 -7.175 -1.577 1.00 0.00 N ATOM 779 CA GLY A 55 -17.895 -7.367 -0.293 1.00 0.00 C ATOM 780 C GLY A 55 -16.922 -7.773 0.796 1.00 0.00 C ATOM 781 O GLY A 55 -17.305 -8.424 1.769 1.00 0.00 O ATOM 0 H GLY A 55 -17.034 -6.205 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.396 -6.444 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.666 -8.132 -0.390 1.00 0.00 H new ATOM 785 N VAL A 56 -15.660 -7.387 0.636 1.00 0.00 N ATOM 786 CA VAL A 56 -14.630 -7.714 1.614 1.00 0.00 C ATOM 787 C VAL A 56 -13.872 -6.465 2.050 1.00 0.00 C ATOM 788 O VAL A 56 -13.140 -5.865 1.263 1.00 0.00 O ATOM 789 CB VAL A 56 -13.626 -8.740 1.054 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.664 -9.195 2.140 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.356 -9.930 0.447 1.00 0.00 C ATOM 0 H VAL A 56 -15.327 -6.847 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.138 -8.148 2.475 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.047 -8.258 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.963 -9.919 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.114 -8.335 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.225 -9.657 2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.629 -10.643 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -14.964 -10.413 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.999 -9.587 -0.364 1.00 0.00 H new ATOM 801 N ARG A 57 -14.053 -6.077 3.308 1.00 0.00 N ATOM 802 CA ARG A 57 -13.387 -4.898 3.848 1.00 0.00 C ATOM 803 C ARG A 57 -12.007 -5.250 4.391 1.00 0.00 C ATOM 804 O ARG A 57 -11.809 -6.321 4.966 1.00 0.00 O ATOM 805 CB ARG A 57 -14.237 -4.269 4.955 1.00 0.00 C ATOM 806 CG ARG A 57 -13.626 -3.011 5.550 1.00 0.00 C ATOM 807 CD ARG A 57 -14.188 -2.719 6.932 1.00 0.00 C ATOM 808 NE ARG A 57 -13.605 -3.586 7.953 1.00 0.00 N ATOM 809 CZ ARG A 57 -13.992 -3.594 9.228 1.00 0.00 C ATOM 810 NH1 ARG A 57 -14.960 -2.785 9.639 1.00 0.00 N ATOM 811 NH2 ARG A 57 -13.409 -4.414 10.092 1.00 0.00 N ATOM 0 H ARG A 57 -14.656 -6.562 3.973 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.265 -4.179 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.222 -4.030 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.385 -5.001 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.544 -3.125 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.819 -2.165 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.997 -1.677 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.270 -2.851 6.919 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.858 -4.222 7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.412 -2.153 8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.253 -2.795 10.616 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.665 -5.038 9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.705 -4.421 11.068 1.00 0.00 H new ATOM 825 N TYR A 58 -11.054 -4.343 4.204 1.00 0.00 N ATOM 826 CA TYR A 58 -9.690 -4.555 4.675 1.00 0.00 C ATOM 827 C TYR A 58 -9.242 -3.405 5.573 1.00 0.00 C ATOM 828 O TYR A 58 -8.695 -3.626 6.654 1.00 0.00 O ATOM 829 CB TYR A 58 -8.733 -4.693 3.490 1.00 0.00 C ATOM 830 CG TYR A 58 -9.051 -5.863 2.586 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.714 -7.160 2.953 1.00 0.00 C ATOM 832 CD2 TYR A 58 -9.686 -5.670 1.366 1.00 0.00 C ATOM 833 CE1 TYR A 58 -9.000 -8.232 2.129 1.00 0.00 C ATOM 834 CE2 TYR A 58 -9.976 -6.737 0.537 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.631 -8.016 0.922 1.00 0.00 C ATOM 836 OH TYR A 58 -9.918 -9.080 0.098 1.00 0.00 O ATOM 0 H TYR A 58 -11.201 -3.453 3.729 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.672 -5.477 5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.760 -3.774 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.716 -4.802 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.220 -7.333 3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.957 -4.670 1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.731 -9.234 2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.471 -6.570 -0.408 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.724 -8.882 -0.423 1.00 0.00 H new ATOM 846 N PHE A 59 -9.478 -2.180 5.117 1.00 0.00 N ATOM 847 CA PHE A 59 -9.100 -0.995 5.877 1.00 0.00 C ATOM 848 C PHE A 59 -10.132 0.115 5.703 1.00 0.00 C ATOM 849 O PHE A 59 -10.820 0.181 4.684 1.00 0.00 O ATOM 850 CB PHE A 59 -7.721 -0.499 5.436 1.00 0.00 C ATOM 851 CG PHE A 59 -7.623 -0.236 3.960 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.313 -1.261 3.080 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.839 1.035 3.455 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.222 -1.021 1.722 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.749 1.281 2.098 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.440 0.251 1.230 1.00 0.00 C ATOM 0 H PHE A 59 -9.930 -1.982 4.224 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.060 -1.268 6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.483 0.417 5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.971 -1.239 5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.141 -2.257 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.081 1.843 4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.981 -1.828 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.920 2.277 1.716 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.369 0.440 0.169 1.00 0.00 H new ATOM 866 N GLN A 60 -10.233 0.984 6.703 1.00 0.00 N ATOM 867 CA GLN A 60 -11.182 2.091 6.659 1.00 0.00 C ATOM 868 C GLN A 60 -10.535 3.339 6.068 1.00 0.00 C ATOM 869 O GLN A 60 -9.532 3.834 6.582 1.00 0.00 O ATOM 870 CB GLN A 60 -11.711 2.394 8.062 1.00 0.00 C ATOM 871 CG GLN A 60 -13.120 2.964 8.071 1.00 0.00 C ATOM 872 CD GLN A 60 -13.144 4.456 8.336 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.385 4.895 9.460 1.00 0.00 O ATOM 874 NE2 GLN A 60 -12.892 5.245 7.298 1.00 0.00 N ATOM 0 H GLN A 60 -9.670 0.944 7.553 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.014 1.797 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.695 1.478 8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.039 3.100 8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.596 2.762 7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.709 2.454 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.697 4.838 6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.893 6.258 7.415 1.00 0.00 H new ATOM 883 N CYS A 61 -11.115 3.844 4.983 1.00 0.00 N ATOM 884 CA CYS A 61 -10.594 5.035 4.322 1.00 0.00 C ATOM 885 C CYS A 61 -11.726 5.860 3.717 1.00 0.00 C ATOM 886 O CYS A 61 -12.903 5.550 3.906 1.00 0.00 O ATOM 887 CB CYS A 61 -9.595 4.643 3.232 1.00 0.00 C ATOM 888 SG CYS A 61 -10.315 3.679 1.881 1.00 0.00 S ATOM 0 H CYS A 61 -11.945 3.447 4.544 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.085 5.642 5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.149 5.548 2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.787 4.067 3.684 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.753 2.508 1.836 1.00 0.00 H new ATOM 894 N GLU A 62 -11.362 6.910 2.988 1.00 0.00 N ATOM 895 CA GLU A 62 -12.346 7.779 2.355 1.00 0.00 C ATOM 896 C GLU A 62 -12.773 7.223 0.999 1.00 0.00 C ATOM 897 O GLU A 62 -12.098 6.367 0.428 1.00 0.00 O ATOM 898 CB GLU A 62 -11.776 9.189 2.184 1.00 0.00 C ATOM 899 CG GLU A 62 -11.986 10.081 3.396 1.00 0.00 C ATOM 900 CD GLU A 62 -13.450 10.257 3.745 1.00 0.00 C ATOM 901 OE1 GLU A 62 -14.134 11.047 3.062 1.00 0.00 O ATOM 902 OE2 GLU A 62 -13.915 9.603 4.703 1.00 0.00 O ATOM 0 H GLU A 62 -10.392 7.179 2.821 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.223 7.824 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.708 9.118 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.239 9.656 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.461 9.655 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.542 11.058 3.204 1.00 0.00 H new ATOM 909 N PRO A 63 -13.910 7.702 0.464 1.00 0.00 N ATOM 910 CA PRO A 63 -14.428 7.249 -0.831 1.00 0.00 C ATOM 911 C PRO A 63 -13.399 7.378 -1.948 1.00 0.00 C ATOM 912 O PRO A 63 -12.736 8.407 -2.081 1.00 0.00 O ATOM 913 CB PRO A 63 -15.612 8.183 -1.090 1.00 0.00 C ATOM 914 CG PRO A 63 -16.037 8.642 0.260 1.00 0.00 C ATOM 915 CD PRO A 63 -14.779 8.723 1.080 1.00 0.00 C ATOM 0 HA PRO A 63 -14.696 6.193 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.322 9.024 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.421 7.663 -1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.531 9.612 0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.749 7.946 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.331 9.715 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.969 8.509 2.132 1.00 0.00 H new ATOM 923 N LEU A 64 -13.276 6.328 -2.754 1.00 0.00 N ATOM 924 CA LEU A 64 -12.334 6.322 -3.868 1.00 0.00 C ATOM 925 C LEU A 64 -10.914 6.627 -3.397 1.00 0.00 C ATOM 926 O LEU A 64 -10.090 7.120 -4.167 1.00 0.00 O ATOM 927 CB LEU A 64 -12.764 7.343 -4.923 1.00 0.00 C ATOM 928 CG LEU A 64 -14.186 7.160 -5.461 1.00 0.00 C ATOM 929 CD1 LEU A 64 -15.047 8.369 -5.127 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.164 6.920 -6.964 1.00 0.00 C ATOM 0 H LEU A 64 -13.818 5.469 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.338 5.324 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.680 8.342 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.067 7.294 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.622 6.285 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.053 8.218 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.093 8.495 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.612 9.261 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.184 6.792 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.706 7.774 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.587 6.021 -7.181 1.00 0.00 H new ATOM 942 N LYS A 65 -10.633 6.328 -2.133 1.00 0.00 N ATOM 943 CA LYS A 65 -9.309 6.571 -1.569 1.00 0.00 C ATOM 944 C LYS A 65 -8.660 5.264 -1.125 1.00 0.00 C ATOM 945 O LYS A 65 -7.951 5.221 -0.120 1.00 0.00 O ATOM 946 CB LYS A 65 -9.401 7.535 -0.385 1.00 0.00 C ATOM 947 CG LYS A 65 -10.042 8.869 -0.737 1.00 0.00 C ATOM 948 CD LYS A 65 -9.115 10.034 -0.429 1.00 0.00 C ATOM 949 CE LYS A 65 -9.871 11.353 -0.387 1.00 0.00 C ATOM 950 NZ LYS A 65 -10.159 11.784 1.009 1.00 0.00 N ATOM 0 H LYS A 65 -11.302 5.918 -1.481 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.689 7.021 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.975 7.064 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.400 7.714 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.302 8.880 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.971 8.985 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.623 9.865 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.332 10.087 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.287 12.123 -0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.807 11.253 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.184 11.913 1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.822 11.058 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.672 12.682 1.202 1.00 0.00 H new ATOM 964 N GLY A 66 -8.907 4.200 -1.883 1.00 0.00 N ATOM 965 CA GLY A 66 -8.339 2.907 -1.554 1.00 0.00 C ATOM 966 C GLY A 66 -8.212 2.005 -2.765 1.00 0.00 C ATOM 967 O GLY A 66 -9.188 1.769 -3.477 1.00 0.00 O ATOM 0 H GLY A 66 -9.491 4.211 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.356 3.049 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.963 2.419 -0.805 1.00 0.00 H new ATOM 971 N ILE A 67 -7.006 1.499 -3.000 1.00 0.00 N ATOM 972 CA ILE A 67 -6.754 0.618 -4.133 1.00 0.00 C ATOM 973 C ILE A 67 -5.815 -0.521 -3.745 1.00 0.00 C ATOM 974 O ILE A 67 -5.060 -0.415 -2.779 1.00 0.00 O ATOM 975 CB ILE A 67 -6.151 1.392 -5.323 1.00 0.00 C ATOM 976 CG1 ILE A 67 -5.993 0.471 -6.536 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.811 2.003 -4.938 1.00 0.00 C ATOM 978 CD1 ILE A 67 -5.876 1.215 -7.848 1.00 0.00 C ATOM 0 H ILE A 67 -6.188 1.684 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.716 0.202 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.833 2.200 -5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.107 -0.149 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.849 -0.203 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.400 2.545 -5.790 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.951 2.690 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.121 1.212 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.767 0.500 -8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.773 1.814 -8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.004 1.868 -7.819 1.00 0.00 H new ATOM 990 N PHE A 68 -5.868 -1.610 -4.505 1.00 0.00 N ATOM 991 CA PHE A 68 -5.022 -2.769 -4.241 1.00 0.00 C ATOM 992 C PHE A 68 -4.184 -3.122 -5.466 1.00 0.00 C ATOM 993 O PHE A 68 -4.717 -3.335 -6.555 1.00 0.00 O ATOM 994 CB PHE A 68 -5.879 -3.968 -3.833 1.00 0.00 C ATOM 995 CG PHE A 68 -6.820 -3.676 -2.700 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.941 -2.885 -2.898 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.585 -4.193 -1.436 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.809 -2.614 -1.857 1.00 0.00 C ATOM 999 CE2 PHE A 68 -7.449 -3.927 -0.391 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.563 -3.137 -0.602 1.00 0.00 C ATOM 0 H PHE A 68 -6.488 -1.714 -5.308 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.348 -2.517 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.455 -4.303 -4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.225 -4.792 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.139 -2.475 -3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.716 -4.811 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.678 -1.995 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.254 -4.336 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.240 -2.929 0.213 1.00 0.00 H new ATOM 1010 N THR A 69 -2.869 -3.181 -5.279 1.00 0.00 N ATOM 1011 CA THR A 69 -1.956 -3.509 -6.366 1.00 0.00 C ATOM 1012 C THR A 69 -0.793 -4.355 -5.862 1.00 0.00 C ATOM 1013 O THR A 69 -0.630 -4.549 -4.658 1.00 0.00 O ATOM 1014 CB THR A 69 -1.428 -2.231 -7.019 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.424 -2.533 -7.973 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.838 -1.251 -6.027 1.00 0.00 C ATOM 0 H THR A 69 -2.413 -3.006 -4.384 1.00 0.00 H new ATOM 0 HA THR A 69 -2.506 -4.087 -7.108 1.00 0.00 H new ATOM 0 HB THR A 69 -2.295 -1.768 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.100 -1.703 -8.381 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.482 -0.367 -6.556 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.601 -0.959 -5.306 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.005 -1.720 -5.504 1.00 0.00 H new ATOM 1024 N ARG A 70 0.015 -4.857 -6.791 1.00 0.00 N ATOM 1025 CA ARG A 70 1.164 -5.683 -6.438 1.00 0.00 C ATOM 1026 C ARG A 70 2.294 -4.829 -5.865 1.00 0.00 C ATOM 1027 O ARG A 70 2.638 -3.788 -6.425 1.00 0.00 O ATOM 1028 CB ARG A 70 1.662 -6.448 -7.666 1.00 0.00 C ATOM 1029 CG ARG A 70 0.583 -7.271 -8.350 1.00 0.00 C ATOM 1030 CD ARG A 70 1.172 -8.471 -9.076 1.00 0.00 C ATOM 1031 NE ARG A 70 0.568 -8.666 -10.391 1.00 0.00 N ATOM 1032 CZ ARG A 70 -0.617 -9.241 -10.585 1.00 0.00 C ATOM 1033 NH1 ARG A 70 -1.328 -9.679 -9.553 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -1.093 -9.379 -11.815 1.00 0.00 N ATOM 0 H ARG A 70 -0.105 -4.706 -7.793 1.00 0.00 H new ATOM 0 HA ARG A 70 0.848 -6.395 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.075 -5.738 -8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.476 -7.108 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.140 -7.612 -7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.042 -6.645 -9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.248 -8.335 -9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.025 -9.367 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 70 1.084 -8.343 -11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.967 -9.576 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.235 -10.119 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.551 -9.045 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.001 -9.819 -11.964 1.00 0.00 H new ATOM 1048 N PRO A 71 2.892 -5.256 -4.736 1.00 0.00 N ATOM 1049 CA PRO A 71 3.987 -4.518 -4.098 1.00 0.00 C ATOM 1050 C PRO A 71 5.144 -4.260 -5.057 1.00 0.00 C ATOM 1051 O PRO A 71 5.729 -3.177 -5.066 1.00 0.00 O ATOM 1052 CB PRO A 71 4.435 -5.441 -2.963 1.00 0.00 C ATOM 1053 CG PRO A 71 3.256 -6.306 -2.682 1.00 0.00 C ATOM 1054 CD PRO A 71 2.552 -6.486 -3.998 1.00 0.00 C ATOM 0 HA PRO A 71 3.666 -3.533 -3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.300 -6.036 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.725 -4.870 -2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.566 -7.267 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.598 -5.842 -1.947 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.898 -7.377 -4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.475 -6.592 -3.867 1.00 0.00 H new ATOM 1062 N SER A 72 5.469 -5.265 -5.866 1.00 0.00 N ATOM 1063 CA SER A 72 6.558 -5.150 -6.830 1.00 0.00 C ATOM 1064 C SER A 72 6.343 -3.963 -7.765 1.00 0.00 C ATOM 1065 O SER A 72 7.297 -3.425 -8.328 1.00 0.00 O ATOM 1066 CB SER A 72 6.681 -6.439 -7.644 1.00 0.00 C ATOM 1067 OG SER A 72 8.039 -6.756 -7.895 1.00 0.00 O ATOM 0 H SER A 72 4.994 -6.167 -5.873 1.00 0.00 H new ATOM 0 HA SER A 72 7.482 -4.985 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.206 -7.259 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.150 -6.328 -8.589 1.00 0.00 H new ATOM 0 HG SER A 72 8.091 -7.585 -8.415 1.00 0.00 H new ATOM 1073 N LYS A 73 5.087 -3.558 -7.927 1.00 0.00 N ATOM 1074 CA LYS A 73 4.752 -2.435 -8.796 1.00 0.00 C ATOM 1075 C LYS A 73 4.601 -1.147 -7.992 1.00 0.00 C ATOM 1076 O LYS A 73 3.789 -0.286 -8.329 1.00 0.00 O ATOM 1077 CB LYS A 73 3.462 -2.724 -9.564 1.00 0.00 C ATOM 1078 CG LYS A 73 3.568 -3.912 -10.505 1.00 0.00 C ATOM 1079 CD LYS A 73 4.065 -3.494 -11.882 1.00 0.00 C ATOM 1080 CE LYS A 73 5.243 -4.343 -12.332 1.00 0.00 C ATOM 1081 NZ LYS A 73 6.515 -3.918 -11.685 1.00 0.00 N ATOM 0 H LYS A 73 4.285 -3.990 -7.468 1.00 0.00 H new ATOM 0 HA LYS A 73 5.568 -2.304 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.658 -2.906 -8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.185 -1.840 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.247 -4.652 -10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.593 -4.390 -10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.254 -3.583 -12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.359 -2.445 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.048 -5.389 -12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.346 -4.275 -13.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.293 -4.522 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.716 -2.928 -11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.426 -4.007 -10.653 1.00 0.00 H new ATOM 1095 N LEU A 74 5.388 -1.021 -6.927 1.00 0.00 N ATOM 1096 CA LEU A 74 5.340 0.164 -6.078 1.00 0.00 C ATOM 1097 C LEU A 74 6.707 0.838 -6.007 1.00 0.00 C ATOM 1098 O LEU A 74 7.741 0.171 -6.043 1.00 0.00 O ATOM 1099 CB LEU A 74 4.870 -0.209 -4.671 1.00 0.00 C ATOM 1100 CG LEU A 74 3.376 -0.510 -4.545 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.077 -1.190 -3.218 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.562 0.768 -4.687 1.00 0.00 C ATOM 0 H LEU A 74 6.065 -1.724 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 74 4.630 0.866 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.430 -1.082 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.119 0.608 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 74 3.093 -1.190 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.009 -1.396 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.632 -2.126 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.375 -0.536 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.501 0.536 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.849 1.471 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.752 1.214 -5.663 1.00 0.00 H new ATOM 1114 N THR A 75 6.704 2.163 -5.908 1.00 0.00 N ATOM 1115 CA THR A 75 7.944 2.927 -5.833 1.00 0.00 C ATOM 1116 C THR A 75 7.975 3.792 -4.578 1.00 0.00 C ATOM 1117 O THR A 75 6.946 4.022 -3.944 1.00 0.00 O ATOM 1118 CB THR A 75 8.103 3.803 -7.076 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.762 3.082 -8.246 1.00 0.00 O ATOM 1120 CG2 THR A 75 9.508 4.335 -7.256 1.00 0.00 C ATOM 0 H THR A 75 5.857 2.730 -5.878 1.00 0.00 H new ATOM 0 HA THR A 75 8.774 2.222 -5.786 1.00 0.00 H new ATOM 0 HB THR A 75 7.429 4.646 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.869 3.661 -9.030 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.552 4.948 -8.156 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.782 4.939 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.203 3.501 -7.351 1.00 0.00 H new ATOM 1128 N ARG A 76 9.165 4.270 -4.225 1.00 0.00 N ATOM 1129 CA ARG A 76 9.331 5.111 -3.045 1.00 0.00 C ATOM 1130 C ARG A 76 9.652 6.548 -3.443 1.00 0.00 C ATOM 1131 O ARG A 76 10.744 6.840 -3.931 1.00 0.00 O ATOM 1132 CB ARG A 76 10.442 4.558 -2.153 1.00 0.00 C ATOM 1133 CG ARG A 76 10.237 3.104 -1.758 1.00 0.00 C ATOM 1134 CD ARG A 76 11.521 2.482 -1.228 1.00 0.00 C ATOM 1135 NE ARG A 76 11.807 1.196 -1.858 1.00 0.00 N ATOM 1136 CZ ARG A 76 12.711 0.332 -1.402 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.418 0.613 -0.315 1.00 0.00 N ATOM 1138 NH2 ARG A 76 12.910 -0.816 -2.036 1.00 0.00 N ATOM 0 H ARG A 76 10.027 4.089 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 76 8.392 5.107 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.395 4.654 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.508 5.165 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.459 3.039 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.887 2.538 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.353 3.164 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.440 2.347 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 76 11.283 0.945 -2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.270 1.495 0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.109 -0.053 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.370 -1.037 -2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.603 -1.478 -1.687 1.00 0.00 H new ATOM 1152 N LYS A 77 8.692 7.443 -3.231 1.00 0.00 N ATOM 1153 CA LYS A 77 8.872 8.851 -3.567 1.00 0.00 C ATOM 1154 C LYS A 77 9.146 9.024 -5.058 1.00 0.00 C ATOM 1155 O LYS A 77 9.273 8.044 -5.793 1.00 0.00 O ATOM 1156 CB LYS A 77 10.021 9.447 -2.751 1.00 0.00 C ATOM 1157 CG LYS A 77 9.715 10.826 -2.186 1.00 0.00 C ATOM 1158 CD LYS A 77 10.987 11.611 -1.906 1.00 0.00 C ATOM 1159 CE LYS A 77 11.123 11.947 -0.428 1.00 0.00 C ATOM 1160 NZ LYS A 77 10.029 12.842 0.041 1.00 0.00 N ATOM 0 H LYS A 77 7.782 7.218 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 77 7.950 9.379 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.261 8.772 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.908 9.510 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.093 11.379 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.140 10.723 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.852 11.031 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.984 12.531 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.114 11.027 0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.086 12.427 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.327 13.328 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.817 13.546 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.177 12.277 0.235 1.00 0.00 H new