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 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0843 X(o=-0.084,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 30 THR OG1 : rot -93:sc= 1.01 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 36 GLN : amide:sc= -0.607 X(o=-0.61,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc=-0.00409 (180deg=-0.197) USER MOD Single : A 49 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.5) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -133:sc= 0.874 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 61 CYS SG : rot -131:sc= 1.36 USER MOD Single : A 65 LYS NZ :NH3+ 153:sc= 0.0045 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.221 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 -54:sc= -0.228 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.182 -3.087 1.576 1.00 0.00 N ATOM 69 CA PHE A 8 6.798 -1.990 2.457 1.00 0.00 C ATOM 70 C PHE A 8 6.059 -2.510 3.685 1.00 0.00 C ATOM 71 O PHE A 8 5.616 -3.659 3.714 1.00 0.00 O ATOM 72 CB PHE A 8 5.917 -0.990 1.705 1.00 0.00 C ATOM 73 CG PHE A 8 6.504 -0.537 0.398 1.00 0.00 C ATOM 74 CD1 PHE A 8 6.315 -1.281 -0.756 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.245 0.632 0.324 1.00 0.00 C ATOM 76 CE1 PHE A 8 6.853 -0.867 -1.960 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.785 1.051 -0.877 1.00 0.00 C ATOM 78 CZ PHE A 8 7.589 0.300 -2.020 1.00 0.00 C ATOM 0 HA PHE A 8 7.707 -1.488 2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.944 -1.444 1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.747 -0.120 2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.741 -2.195 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.402 1.222 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.698 -1.455 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.360 1.964 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.011 0.625 -2.959 1.00 0.00 H new ATOM 88 N ARG A 9 5.932 -1.659 4.698 1.00 0.00 N ATOM 89 CA ARG A 9 5.247 -2.033 5.930 1.00 0.00 C ATOM 90 C ARG A 9 3.942 -1.259 6.083 1.00 0.00 C ATOM 91 O ARG A 9 3.720 -0.256 5.405 1.00 0.00 O ATOM 92 CB ARG A 9 6.150 -1.779 7.138 1.00 0.00 C ATOM 93 CG ARG A 9 7.495 -2.480 7.051 1.00 0.00 C ATOM 94 CD ARG A 9 8.543 -1.787 7.907 1.00 0.00 C ATOM 95 NE ARG A 9 8.450 -2.181 9.311 1.00 0.00 N ATOM 96 CZ ARG A 9 9.429 -2.008 10.196 1.00 0.00 C ATOM 97 NH1 ARG A 9 10.575 -1.448 9.827 1.00 0.00 N ATOM 98 NH2 ARG A 9 9.262 -2.394 11.453 1.00 0.00 N ATOM 0 H ARG A 9 6.295 -0.706 4.690 1.00 0.00 H new ATOM 0 HA ARG A 9 5.013 -3.096 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.315 -0.706 7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.636 -2.108 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.388 -3.516 7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.828 -2.502 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.537 -2.026 7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.422 -0.707 7.825 1.00 0.00 H new ATOM 0 HE ARG A 9 7.584 -2.614 9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.708 -1.148 8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.322 -1.318 10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.383 -2.824 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.012 -2.261 12.131 1.00 0.00 H new ATOM 112 N VAL A 10 3.081 -1.731 6.980 1.00 0.00 N ATOM 113 CA VAL A 10 1.799 -1.083 7.222 1.00 0.00 C ATOM 114 C VAL A 10 1.991 0.320 7.788 1.00 0.00 C ATOM 115 O VAL A 10 2.526 0.489 8.884 1.00 0.00 O ATOM 116 CB VAL A 10 0.928 -1.902 8.195 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.460 -1.295 8.314 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.845 -3.354 7.746 1.00 0.00 C ATOM 0 H VAL A 10 3.249 -2.560 7.550 1.00 0.00 H new ATOM 0 HA VAL A 10 1.292 -1.018 6.260 1.00 0.00 H new ATOM 0 HB VAL A 10 1.396 -1.875 9.179 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.058 -1.888 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.380 -0.274 8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.939 -1.287 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.226 -3.916 8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.403 -3.402 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.846 -3.785 7.720 1.00 0.00 H new ATOM 128 N GLY A 11 1.552 1.322 7.034 1.00 0.00 N ATOM 129 CA GLY A 11 1.685 2.697 7.477 1.00 0.00 C ATOM 130 C GLY A 11 2.682 3.482 6.647 1.00 0.00 C ATOM 131 O GLY A 11 2.565 4.699 6.511 1.00 0.00 O ATOM 0 H GLY A 11 1.106 1.206 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.712 3.186 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.997 2.710 8.521 1.00 0.00 H new ATOM 135 N GLU A 12 3.665 2.782 6.090 1.00 0.00 N ATOM 136 CA GLU A 12 4.687 3.420 5.269 1.00 0.00 C ATOM 137 C GLU A 12 4.062 4.105 4.058 1.00 0.00 C ATOM 138 O GLU A 12 2.937 3.794 3.668 1.00 0.00 O ATOM 139 CB GLU A 12 5.719 2.388 4.809 1.00 0.00 C ATOM 140 CG GLU A 12 6.777 2.078 5.854 1.00 0.00 C ATOM 141 CD GLU A 12 8.029 2.915 5.683 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.615 2.887 4.580 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.423 3.599 6.651 1.00 0.00 O ATOM 0 H GLU A 12 3.775 1.773 6.192 1.00 0.00 H new ATOM 0 HA GLU A 12 5.185 4.176 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.204 1.466 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.208 2.753 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.362 2.250 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.040 1.022 5.797 1.00 0.00 H new ATOM 150 N ARG A 13 4.799 5.040 3.468 1.00 0.00 N ATOM 151 CA ARG A 13 4.318 5.771 2.301 1.00 0.00 C ATOM 152 C ARG A 13 4.817 5.127 1.012 1.00 0.00 C ATOM 153 O ARG A 13 5.989 4.767 0.900 1.00 0.00 O ATOM 154 CB ARG A 13 4.770 7.230 2.365 1.00 0.00 C ATOM 155 CG ARG A 13 3.896 8.174 1.553 1.00 0.00 C ATOM 156 CD ARG A 13 3.233 9.222 2.434 1.00 0.00 C ATOM 157 NE ARG A 13 3.212 10.536 1.798 1.00 0.00 N ATOM 158 CZ ARG A 13 3.019 11.676 2.458 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.831 11.666 3.772 1.00 0.00 N ATOM 160 NH2 ARG A 13 3.015 12.829 1.803 1.00 0.00 N ATOM 0 H ARG A 13 5.732 5.310 3.779 1.00 0.00 H new ATOM 0 HA ARG A 13 3.229 5.736 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.773 7.555 3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.797 7.300 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.501 8.667 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.131 7.602 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.213 8.912 2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.765 9.287 3.383 1.00 0.00 H new ATOM 0 HE ARG A 13 3.353 10.583 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.834 10.782 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.684 12.542 4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.160 12.843 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.867 13.702 2.309 1.00 0.00 H new ATOM 174 N VAL A 14 3.920 4.984 0.042 1.00 0.00 N ATOM 175 CA VAL A 14 4.271 4.383 -1.239 1.00 0.00 C ATOM 176 C VAL A 14 3.759 5.228 -2.401 1.00 0.00 C ATOM 177 O VAL A 14 2.800 5.985 -2.255 1.00 0.00 O ATOM 178 CB VAL A 14 3.702 2.958 -1.366 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.372 2.024 -0.372 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.194 2.965 -1.171 1.00 0.00 C ATOM 0 H VAL A 14 2.946 5.276 0.119 1.00 0.00 H new ATOM 0 HA VAL A 14 5.359 4.336 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 14 3.913 2.591 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.956 1.022 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.444 1.994 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.197 2.385 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.810 1.949 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.957 3.353 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.732 3.598 -1.928 1.00 0.00 H new ATOM 190 N TRP A 15 4.405 5.093 -3.554 1.00 0.00 N ATOM 191 CA TRP A 15 4.016 5.843 -4.742 1.00 0.00 C ATOM 192 C TRP A 15 3.537 4.904 -5.845 1.00 0.00 C ATOM 193 O TRP A 15 4.343 4.274 -6.530 1.00 0.00 O ATOM 194 CB TRP A 15 5.189 6.689 -5.244 1.00 0.00 C ATOM 195 CG TRP A 15 4.936 8.163 -5.162 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.543 8.985 -6.179 1.00 0.00 C ATOM 197 CD2 TRP A 15 5.061 8.991 -4.001 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.415 10.274 -5.720 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.727 10.303 -4.386 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.421 8.750 -2.672 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.744 11.369 -3.490 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.437 9.809 -1.784 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.099 11.105 -2.196 1.00 0.00 C ATOM 0 H TRP A 15 5.201 4.470 -3.691 1.00 0.00 H new ATOM 0 HA TRP A 15 3.193 6.504 -4.472 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.078 6.447 -4.661 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.404 6.422 -6.279 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.360 8.669 -7.195 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.134 11.078 -6.281 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.682 7.754 -2.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.486 12.369 -3.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.715 9.635 -0.755 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.119 11.911 -1.478 1.00 0.00 H new ATOM 214 N VAL A 16 2.222 4.816 -6.011 1.00 0.00 N ATOM 215 CA VAL A 16 1.637 3.955 -7.031 1.00 0.00 C ATOM 216 C VAL A 16 1.785 4.569 -8.419 1.00 0.00 C ATOM 217 O VAL A 16 1.428 5.726 -8.639 1.00 0.00 O ATOM 218 CB VAL A 16 0.145 3.690 -6.755 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.400 2.642 -7.714 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.064 3.262 -5.311 1.00 0.00 C ATOM 0 H VAL A 16 1.541 5.331 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 16 2.178 3.010 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.404 4.617 -6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.455 2.469 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.288 2.994 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.153 1.711 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.124 3.079 -5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.498 2.349 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.284 4.051 -4.644 1.00 0.00 H new ATOM 230 N ASN A 17 2.314 3.785 -9.354 1.00 0.00 N ATOM 231 CA ASN A 17 2.509 4.251 -10.722 1.00 0.00 C ATOM 232 C ASN A 17 3.402 5.490 -10.759 1.00 0.00 C ATOM 233 O ASN A 17 3.376 6.255 -11.723 1.00 0.00 O ATOM 234 CB ASN A 17 1.160 4.559 -11.374 1.00 0.00 C ATOM 235 CG ASN A 17 0.989 3.860 -12.708 1.00 0.00 C ATOM 236 OD1 ASN A 17 0.788 2.647 -12.764 1.00 0.00 O ATOM 237 ND2 ASN A 17 1.067 4.623 -13.792 1.00 0.00 N ATOM 0 H ASN A 17 2.615 2.825 -9.189 1.00 0.00 H new ATOM 0 HA ASN A 17 3.003 3.457 -11.281 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.357 4.255 -10.702 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.066 5.636 -11.516 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.959 4.207 -14.717 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.235 5.625 -13.700 1.00 0.00 H new ATOM 244 N GLY A 18 4.191 5.684 -9.705 1.00 0.00 N ATOM 245 CA GLY A 18 5.077 6.831 -9.643 1.00 0.00 C ATOM 246 C GLY A 18 4.344 8.148 -9.818 1.00 0.00 C ATOM 247 O GLY A 18 4.925 9.134 -10.271 1.00 0.00 O ATOM 0 H GLY A 18 4.232 5.067 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.595 6.833 -8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.839 6.738 -10.417 1.00 0.00 H new ATOM 251 N ASN A 19 3.064 8.165 -9.458 1.00 0.00 N ATOM 252 CA ASN A 19 2.254 9.371 -9.580 1.00 0.00 C ATOM 253 C ASN A 19 0.958 9.241 -8.787 1.00 0.00 C ATOM 254 O ASN A 19 -0.071 9.800 -9.166 1.00 0.00 O ATOM 255 CB ASN A 19 1.940 9.652 -11.050 1.00 0.00 C ATOM 256 CG ASN A 19 1.738 11.129 -11.327 1.00 0.00 C ATOM 257 OD1 ASN A 19 0.668 11.551 -11.763 1.00 0.00 O ATOM 258 ND2 ASN A 19 2.771 11.925 -11.073 1.00 0.00 N ATOM 0 H ASN A 19 2.567 7.359 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 19 2.825 10.204 -9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.754 9.277 -11.670 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.042 9.105 -11.338 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.695 12.928 -11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.640 11.533 -10.712 1.00 0.00 H new ATOM 265 N LYS A 20 1.015 8.503 -7.684 1.00 0.00 N ATOM 266 CA LYS A 20 -0.155 8.301 -6.837 1.00 0.00 C ATOM 267 C LYS A 20 0.256 7.851 -5.436 1.00 0.00 C ATOM 268 O LYS A 20 0.271 6.658 -5.139 1.00 0.00 O ATOM 269 CB LYS A 20 -1.093 7.266 -7.462 1.00 0.00 C ATOM 270 CG LYS A 20 -1.854 7.785 -8.671 1.00 0.00 C ATOM 271 CD LYS A 20 -3.051 6.907 -8.995 1.00 0.00 C ATOM 272 CE LYS A 20 -3.425 6.995 -10.466 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.620 6.062 -11.301 1.00 0.00 N ATOM 0 H LYS A 20 1.859 8.034 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.679 9.253 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.512 6.392 -7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.807 6.934 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.190 8.804 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.187 7.825 -9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.825 5.872 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.901 7.209 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.484 6.767 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.277 8.016 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.906 6.153 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.611 6.295 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.780 5.085 -10.983 1.00 0.00 H new ATOM 287 N PRO A 21 0.595 8.808 -4.555 1.00 0.00 N ATOM 288 CA PRO A 21 1.008 8.504 -3.182 1.00 0.00 C ATOM 289 C PRO A 21 -0.147 7.987 -2.331 1.00 0.00 C ATOM 290 O PRO A 21 -1.306 8.330 -2.567 1.00 0.00 O ATOM 291 CB PRO A 21 1.501 9.852 -2.651 1.00 0.00 C ATOM 292 CG PRO A 21 0.778 10.868 -3.465 1.00 0.00 C ATOM 293 CD PRO A 21 0.604 10.257 -4.829 1.00 0.00 C ATOM 0 HA PRO A 21 1.761 7.717 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.279 9.964 -1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.581 9.951 -2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.187 11.110 -3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.345 11.797 -3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.323 10.583 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.417 10.534 -5.500 1.00 0.00 H new ATOM 301 N GLY A 22 0.177 7.162 -1.342 1.00 0.00 N ATOM 302 CA GLY A 22 -0.845 6.610 -0.471 1.00 0.00 C ATOM 303 C GLY A 22 -0.258 5.832 0.690 1.00 0.00 C ATOM 304 O GLY A 22 0.844 5.293 0.593 1.00 0.00 O ATOM 0 H GLY A 22 1.129 6.865 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.465 7.419 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.497 5.956 -1.050 1.00 0.00 H new ATOM 308 N PHE A 23 -0.997 5.774 1.794 1.00 0.00 N ATOM 309 CA PHE A 23 -0.543 5.057 2.980 1.00 0.00 C ATOM 310 C PHE A 23 -0.997 3.600 2.942 1.00 0.00 C ATOM 311 O PHE A 23 -2.132 3.303 2.569 1.00 0.00 O ATOM 312 CB PHE A 23 -1.072 5.734 4.245 1.00 0.00 C ATOM 313 CG PHE A 23 -0.483 7.095 4.488 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.865 7.239 4.776 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.277 8.229 4.428 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.411 8.488 4.999 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.737 9.481 4.651 1.00 0.00 C ATOM 318 CZ PHE A 23 0.608 9.611 4.936 1.00 0.00 C ATOM 0 H PHE A 23 -1.912 6.215 1.892 1.00 0.00 H new ATOM 0 HA PHE A 23 0.547 5.080 2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.156 5.824 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.861 5.097 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.496 6.364 4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.329 8.133 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.463 8.587 5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.366 10.357 4.602 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.032 10.589 5.109 1.00 0.00 H new ATOM 328 N ILE A 24 -0.103 2.697 3.330 1.00 0.00 N ATOM 329 CA ILE A 24 -0.412 1.272 3.340 1.00 0.00 C ATOM 330 C ILE A 24 -1.239 0.898 4.565 1.00 0.00 C ATOM 331 O ILE A 24 -0.720 0.836 5.680 1.00 0.00 O ATOM 332 CB ILE A 24 0.871 0.419 3.320 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.819 0.909 2.226 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.527 -1.049 3.114 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.141 0.173 2.198 1.00 0.00 C ATOM 0 H ILE A 24 0.841 2.926 3.641 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.990 1.067 2.439 1.00 0.00 H new ATOM 0 HB ILE A 24 1.374 0.523 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.331 0.800 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.008 1.973 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.443 -1.639 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.114 -1.390 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.005 -1.171 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.763 0.573 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.650 0.303 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.963 -0.888 2.024 1.00 0.00 H new ATOM 347 N GLN A 25 -2.527 0.653 4.351 1.00 0.00 N ATOM 348 CA GLN A 25 -3.427 0.285 5.438 1.00 0.00 C ATOM 349 C GLN A 25 -3.539 -1.231 5.565 1.00 0.00 C ATOM 350 O GLN A 25 -3.731 -1.759 6.661 1.00 0.00 O ATOM 351 CB GLN A 25 -4.812 0.893 5.208 1.00 0.00 C ATOM 352 CG GLN A 25 -4.983 2.269 5.832 1.00 0.00 C ATOM 353 CD GLN A 25 -4.885 2.240 7.345 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.763 1.712 8.026 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.809 2.809 7.878 1.00 0.00 N ATOM 0 H GLN A 25 -2.972 0.703 3.434 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.014 0.678 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.995 0.964 4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.567 0.221 5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.222 2.941 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.951 2.677 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.106 3.235 7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.686 2.820 8.891 1.00 0.00 H new ATOM 364 N PHE A 26 -3.416 -1.925 4.439 1.00 0.00 N ATOM 365 CA PHE A 26 -3.504 -3.380 4.424 1.00 0.00 C ATOM 366 C PHE A 26 -2.338 -3.989 3.651 1.00 0.00 C ATOM 367 O PHE A 26 -1.736 -3.335 2.800 1.00 0.00 O ATOM 368 CB PHE A 26 -4.829 -3.826 3.804 1.00 0.00 C ATOM 369 CG PHE A 26 -5.360 -5.108 4.379 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.567 -5.239 5.744 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.652 -6.184 3.555 1.00 0.00 C ATOM 372 CE1 PHE A 26 -6.055 -6.417 6.274 1.00 0.00 C ATOM 373 CE2 PHE A 26 -6.140 -7.365 4.080 1.00 0.00 C ATOM 374 CZ PHE A 26 -6.342 -7.482 5.442 1.00 0.00 C ATOM 0 H PHE A 26 -3.255 -1.503 3.524 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.456 -3.731 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.570 -3.039 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.695 -3.948 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.344 -4.410 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.496 -6.098 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.212 -6.506 7.339 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.363 -8.196 3.427 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.723 -8.404 5.855 1.00 0.00 H new ATOM 384 N LEU A 27 -2.026 -5.245 3.955 1.00 0.00 N ATOM 385 CA LEU A 27 -0.932 -5.942 3.289 1.00 0.00 C ATOM 386 C LEU A 27 -1.144 -7.452 3.332 1.00 0.00 C ATOM 387 O LEU A 27 -0.920 -8.092 4.360 1.00 0.00 O ATOM 388 CB LEU A 27 0.404 -5.584 3.944 1.00 0.00 C ATOM 389 CG LEU A 27 1.121 -4.378 3.334 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.320 -3.984 4.182 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.552 -4.683 1.908 1.00 0.00 C ATOM 0 H LEU A 27 -2.515 -5.800 4.657 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.913 -5.625 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.232 -5.388 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.064 -6.449 3.884 1.00 0.00 H new ATOM 0 HG LEU A 27 0.427 -3.538 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.817 -3.125 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.986 -3.725 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.018 -4.820 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.061 -3.815 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.230 -5.536 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.675 -4.916 1.305 1.00 0.00 H new ATOM 403 N GLY A 28 -1.576 -8.015 2.208 1.00 0.00 N ATOM 404 CA GLY A 28 -1.812 -9.445 2.139 1.00 0.00 C ATOM 405 C GLY A 28 -2.650 -9.837 0.938 1.00 0.00 C ATOM 406 O GLY A 28 -3.070 -8.982 0.159 1.00 0.00 O ATOM 0 H GLY A 28 -1.767 -7.507 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.856 -9.966 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.313 -9.772 3.050 1.00 0.00 H new ATOM 410 N GLU A 29 -2.895 -11.135 0.788 1.00 0.00 N ATOM 411 CA GLU A 29 -3.688 -11.639 -0.327 1.00 0.00 C ATOM 412 C GLU A 29 -5.137 -11.179 -0.214 1.00 0.00 C ATOM 413 O GLU A 29 -5.567 -10.699 0.835 1.00 0.00 O ATOM 414 CB GLU A 29 -3.628 -13.167 -0.375 1.00 0.00 C ATOM 415 CG GLU A 29 -3.865 -13.827 0.974 1.00 0.00 C ATOM 416 CD GLU A 29 -4.877 -14.955 0.903 1.00 0.00 C ATOM 417 OE1 GLU A 29 -6.037 -14.688 0.523 1.00 0.00 O ATOM 418 OE2 GLU A 29 -4.510 -16.103 1.227 1.00 0.00 O ATOM 0 H GLU A 29 -2.556 -11.856 1.424 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.268 -11.238 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.373 -13.530 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.653 -13.472 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.920 -14.215 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.212 -13.077 1.685 1.00 0.00 H new ATOM 425 N THR A 30 -5.887 -11.329 -1.302 1.00 0.00 N ATOM 426 CA THR A 30 -7.289 -10.928 -1.325 1.00 0.00 C ATOM 427 C THR A 30 -8.186 -12.106 -1.694 1.00 0.00 C ATOM 428 O THR A 30 -7.709 -13.223 -1.894 1.00 0.00 O ATOM 429 CB THR A 30 -7.497 -9.784 -2.318 1.00 0.00 C ATOM 430 OG1 THR A 30 -6.938 -10.106 -3.579 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.881 -8.478 -1.863 1.00 0.00 C ATOM 0 H THR A 30 -5.547 -11.725 -2.178 1.00 0.00 H new ATOM 0 HA THR A 30 -7.560 -10.587 -0.326 1.00 0.00 H new ATOM 0 HB THR A 30 -8.577 -9.654 -2.387 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.020 -9.765 -3.627 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.065 -7.708 -2.613 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.327 -8.176 -0.916 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.807 -8.608 -1.733 1.00 0.00 H new ATOM 439 N GLN A 31 -9.487 -11.847 -1.783 1.00 0.00 N ATOM 440 CA GLN A 31 -10.451 -12.886 -2.128 1.00 0.00 C ATOM 441 C GLN A 31 -10.800 -12.833 -3.612 1.00 0.00 C ATOM 442 O GLN A 31 -11.106 -13.856 -4.224 1.00 0.00 O ATOM 443 CB GLN A 31 -11.719 -12.732 -1.287 1.00 0.00 C ATOM 444 CG GLN A 31 -11.570 -13.235 0.139 1.00 0.00 C ATOM 445 CD GLN A 31 -12.900 -13.582 0.777 1.00 0.00 C ATOM 446 OE1 GLN A 31 -13.637 -12.700 1.220 1.00 0.00 O ATOM 447 NE2 GLN A 31 -13.215 -14.870 0.829 1.00 0.00 N ATOM 0 H GLN A 31 -9.898 -10.927 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.998 -13.854 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.004 -11.680 -1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.533 -13.272 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.928 -14.116 0.144 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.071 -12.473 0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.575 -15.567 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.098 -15.163 1.248 1.00 0.00 H new ATOM 456 N PHE A 32 -10.753 -11.634 -4.184 1.00 0.00 N ATOM 457 CA PHE A 32 -11.065 -11.448 -5.595 1.00 0.00 C ATOM 458 C PHE A 32 -9.899 -11.892 -6.474 1.00 0.00 C ATOM 459 O PHE A 32 -10.100 -12.466 -7.545 1.00 0.00 O ATOM 460 CB PHE A 32 -11.401 -9.983 -5.876 1.00 0.00 C ATOM 461 CG PHE A 32 -10.348 -9.023 -5.400 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.248 -8.731 -6.191 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.459 -8.411 -4.160 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.279 -7.850 -5.755 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.492 -7.528 -3.720 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.400 -7.246 -4.518 1.00 0.00 C ATOM 0 H PHE A 32 -10.502 -10.777 -3.691 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.932 -12.065 -5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.543 -9.851 -6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.348 -9.738 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.148 -9.198 -7.160 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.311 -8.627 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.426 -7.633 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.590 -7.058 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.643 -6.556 -4.176 1.00 0.00 H new ATOM 476 N ALA A 33 -8.682 -11.621 -6.015 1.00 0.00 N ATOM 477 CA ALA A 33 -7.486 -11.993 -6.761 1.00 0.00 C ATOM 478 C ALA A 33 -6.478 -12.705 -5.862 1.00 0.00 C ATOM 479 O ALA A 33 -6.378 -12.410 -4.671 1.00 0.00 O ATOM 480 CB ALA A 33 -6.852 -10.760 -7.390 1.00 0.00 C ATOM 0 H ALA A 33 -8.498 -11.146 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.781 -12.682 -7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.960 -11.052 -7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.564 -10.291 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.578 -10.053 -6.607 1.00 0.00 H new ATOM 486 N PRO A 34 -5.713 -13.659 -6.423 1.00 0.00 N ATOM 487 CA PRO A 34 -4.711 -14.413 -5.666 1.00 0.00 C ATOM 488 C PRO A 34 -3.474 -13.578 -5.354 1.00 0.00 C ATOM 489 O PRO A 34 -3.457 -12.368 -5.574 1.00 0.00 O ATOM 490 CB PRO A 34 -4.356 -15.566 -6.604 1.00 0.00 C ATOM 491 CG PRO A 34 -4.609 -15.030 -7.971 1.00 0.00 C ATOM 492 CD PRO A 34 -5.767 -14.076 -7.839 1.00 0.00 C ATOM 0 HA PRO A 34 -5.088 -14.736 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.316 -15.869 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.970 -16.444 -6.403 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.727 -14.521 -8.359 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.845 -15.835 -8.667 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.664 -13.225 -8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.714 -14.559 -8.079 1.00 0.00 H new ATOM 500 N GLY A 35 -2.438 -14.234 -4.840 1.00 0.00 N ATOM 501 CA GLY A 35 -1.211 -13.535 -4.507 1.00 0.00 C ATOM 502 C GLY A 35 -1.418 -12.473 -3.445 1.00 0.00 C ATOM 503 O GLY A 35 -2.541 -12.023 -3.219 1.00 0.00 O ATOM 0 H GLY A 35 -2.427 -15.236 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.470 -14.254 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.805 -13.071 -5.406 1.00 0.00 H new ATOM 507 N GLN A 36 -0.332 -12.072 -2.792 1.00 0.00 N ATOM 508 CA GLN A 36 -0.399 -11.056 -1.748 1.00 0.00 C ATOM 509 C GLN A 36 -0.513 -9.660 -2.353 1.00 0.00 C ATOM 510 O GLN A 36 0.384 -9.205 -3.062 1.00 0.00 O ATOM 511 CB GLN A 36 0.836 -11.136 -0.850 1.00 0.00 C ATOM 512 CG GLN A 36 1.120 -12.535 -0.329 1.00 0.00 C ATOM 513 CD GLN A 36 0.266 -12.894 0.872 1.00 0.00 C ATOM 514 OE1 GLN A 36 0.193 -12.141 1.844 1.00 0.00 O ATOM 515 NE2 GLN A 36 -0.386 -14.050 0.811 1.00 0.00 N ATOM 0 H GLN A 36 0.605 -12.435 -2.967 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.289 -11.246 -1.148 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.703 -10.782 -1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.704 -10.462 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.943 -13.258 -1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.173 -12.611 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.297 -14.643 -0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.976 -14.344 1.589 1.00 0.00 H new ATOM 524 N TRP A 37 -1.623 -8.986 -2.069 1.00 0.00 N ATOM 525 CA TRP A 37 -1.855 -7.643 -2.585 1.00 0.00 C ATOM 526 C TRP A 37 -1.444 -6.588 -1.561 1.00 0.00 C ATOM 527 O TRP A 37 -1.498 -6.825 -0.355 1.00 0.00 O ATOM 528 CB TRP A 37 -3.328 -7.463 -2.955 1.00 0.00 C ATOM 529 CG TRP A 37 -3.733 -8.238 -4.171 1.00 0.00 C ATOM 530 CD1 TRP A 37 -3.999 -9.575 -4.240 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.920 -7.722 -5.495 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.339 -9.923 -5.525 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.298 -8.803 -6.314 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.805 -6.452 -6.066 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.560 -8.652 -7.673 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.067 -6.303 -7.415 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.440 -7.396 -8.205 1.00 0.00 C ATOM 0 H TRP A 37 -2.376 -9.349 -1.484 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.245 -7.514 -3.479 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.947 -7.772 -2.113 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.526 -6.405 -3.125 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.949 -10.260 -3.406 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.582 -10.862 -5.840 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.517 -5.603 -5.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.847 -9.494 -8.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.982 -5.326 -7.867 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.637 -7.246 -9.256 1.00 0.00 H new ATOM 548 N ALA A 38 -1.034 -5.423 -2.053 1.00 0.00 N ATOM 549 CA ALA A 38 -0.614 -4.333 -1.183 1.00 0.00 C ATOM 550 C ALA A 38 -1.682 -3.246 -1.109 1.00 0.00 C ATOM 551 O ALA A 38 -1.863 -2.477 -2.052 1.00 0.00 O ATOM 552 CB ALA A 38 0.705 -3.748 -1.667 1.00 0.00 C ATOM 0 H ALA A 38 -0.984 -5.211 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.473 -4.736 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.006 -2.934 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.471 -4.523 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.584 -3.367 -2.681 1.00 0.00 H new ATOM 558 N GLY A 39 -2.386 -3.191 0.017 1.00 0.00 N ATOM 559 CA GLY A 39 -3.428 -2.195 0.191 1.00 0.00 C ATOM 560 C GLY A 39 -2.869 -0.813 0.462 1.00 0.00 C ATOM 561 O GLY A 39 -2.141 -0.610 1.434 1.00 0.00 O ATOM 0 H GLY A 39 -2.254 -3.817 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.049 -2.163 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.075 -2.491 1.017 1.00 0.00 H new ATOM 565 N ILE A 40 -3.209 0.140 -0.400 1.00 0.00 N ATOM 566 CA ILE A 40 -2.737 1.511 -0.249 1.00 0.00 C ATOM 567 C ILE A 40 -3.904 2.491 -0.199 1.00 0.00 C ATOM 568 O ILE A 40 -4.948 2.260 -0.811 1.00 0.00 O ATOM 569 CB ILE A 40 -1.794 1.911 -1.402 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.694 0.862 -1.581 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.187 3.282 -1.140 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.381 0.558 -3.030 1.00 0.00 C ATOM 0 H ILE A 40 -3.810 -0.012 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.188 1.555 0.692 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.375 1.961 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.213 1.210 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.996 -0.059 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.524 3.550 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.983 4.023 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.619 3.257 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.407 -0.193 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.276 0.180 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.048 1.468 -3.529 1.00 0.00 H new ATOM 584 N VAL A 41 -3.722 3.584 0.534 1.00 0.00 N ATOM 585 CA VAL A 41 -4.760 4.599 0.662 1.00 0.00 C ATOM 586 C VAL A 41 -4.403 5.855 -0.122 1.00 0.00 C ATOM 587 O VAL A 41 -3.531 6.625 0.282 1.00 0.00 O ATOM 588 CB VAL A 41 -4.996 4.978 2.136 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.211 5.884 2.269 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.157 3.730 2.990 1.00 0.00 C ATOM 0 H VAL A 41 -2.865 3.789 1.048 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.674 4.168 0.254 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.124 5.525 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.361 6.140 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.051 6.795 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.093 5.367 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.323 4.018 4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.010 3.152 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.254 3.123 2.922 1.00 0.00 H new ATOM 600 N LEU A 42 -5.082 6.059 -1.247 1.00 0.00 N ATOM 601 CA LEU A 42 -4.836 7.223 -2.089 1.00 0.00 C ATOM 602 C LEU A 42 -5.251 8.506 -1.376 1.00 0.00 C ATOM 603 O LEU A 42 -6.245 8.532 -0.651 1.00 0.00 O ATOM 604 CB LEU A 42 -5.594 7.092 -3.411 1.00 0.00 C ATOM 605 CG LEU A 42 -5.203 5.884 -4.264 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.184 5.701 -5.412 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.785 6.042 -4.793 1.00 0.00 C ATOM 0 H LEU A 42 -5.807 5.432 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.767 7.272 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.661 7.036 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.434 7.998 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.239 4.993 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.890 4.837 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.186 5.542 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.180 6.592 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.523 5.174 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.723 6.942 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.091 6.124 -3.956 1.00 0.00 H new ATOM 619 N ASP A 43 -4.482 9.570 -1.589 1.00 0.00 N ATOM 620 CA ASP A 43 -4.770 10.857 -0.967 1.00 0.00 C ATOM 621 C ASP A 43 -5.968 11.527 -1.630 1.00 0.00 C ATOM 622 O ASP A 43 -6.721 12.256 -0.984 1.00 0.00 O ATOM 623 CB ASP A 43 -3.547 11.773 -1.052 1.00 0.00 C ATOM 624 CG ASP A 43 -2.403 11.292 -0.180 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.665 10.882 0.971 1.00 0.00 O ATOM 626 OD2 ASP A 43 -1.246 11.325 -0.648 1.00 0.00 O ATOM 0 H ASP A 43 -3.656 9.566 -2.187 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.011 10.679 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.211 11.831 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.830 12.782 -0.751 1.00 0.00 H new ATOM 631 N GLU A 44 -6.139 11.277 -2.924 1.00 0.00 N ATOM 632 CA GLU A 44 -7.246 11.857 -3.676 1.00 0.00 C ATOM 633 C GLU A 44 -8.208 10.772 -4.156 1.00 0.00 C ATOM 634 O GLU A 44 -7.804 9.631 -4.385 1.00 0.00 O ATOM 635 CB GLU A 44 -6.717 12.652 -4.872 1.00 0.00 C ATOM 636 CG GLU A 44 -6.554 14.137 -4.590 1.00 0.00 C ATOM 637 CD GLU A 44 -6.548 14.972 -5.855 1.00 0.00 C ATOM 638 OE1 GLU A 44 -7.588 15.012 -6.546 1.00 0.00 O ATOM 639 OE2 GLU A 44 -5.503 15.588 -6.156 1.00 0.00 O ATOM 0 H GLU A 44 -5.525 10.676 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.789 12.530 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.754 12.240 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.398 12.523 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.364 14.471 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.623 14.300 -4.047 1.00 0.00 H new ATOM 646 N PRO A 45 -9.497 11.115 -4.316 1.00 0.00 N ATOM 647 CA PRO A 45 -10.516 10.164 -4.772 1.00 0.00 C ATOM 648 C PRO A 45 -10.345 9.794 -6.241 1.00 0.00 C ATOM 649 O PRO A 45 -11.211 10.079 -7.070 1.00 0.00 O ATOM 650 CB PRO A 45 -11.828 10.922 -4.557 1.00 0.00 C ATOM 651 CG PRO A 45 -11.451 12.360 -4.635 1.00 0.00 C ATOM 652 CD PRO A 45 -10.062 12.455 -4.065 1.00 0.00 C ATOM 0 HA PRO A 45 -10.463 9.217 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.564 10.664 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.271 10.681 -3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.475 12.715 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.148 12.978 -4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.479 13.235 -4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.080 12.691 -3.001 1.00 0.00 H new ATOM 660 N ILE A 46 -9.222 9.156 -6.559 1.00 0.00 N ATOM 661 CA ILE A 46 -8.939 8.747 -7.929 1.00 0.00 C ATOM 662 C ILE A 46 -8.643 7.253 -8.006 1.00 0.00 C ATOM 663 O ILE A 46 -7.863 6.806 -8.846 1.00 0.00 O ATOM 664 CB ILE A 46 -7.743 9.525 -8.512 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.524 9.391 -7.598 1.00 0.00 C ATOM 666 CG2 ILE A 46 -8.108 10.989 -8.707 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.237 9.873 -8.233 1.00 0.00 C ATOM 0 H ILE A 46 -8.495 8.912 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.830 8.970 -8.516 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.492 9.101 -9.484 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.702 9.956 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.409 8.346 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.253 11.525 -9.119 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.950 11.066 -9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.382 11.427 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.415 9.748 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.035 9.292 -9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.333 10.927 -8.496 1.00 0.00 H new ATOM 679 N GLY A 47 -9.273 6.485 -7.123 1.00 0.00 N ATOM 680 CA GLY A 47 -9.065 5.050 -7.107 1.00 0.00 C ATOM 681 C GLY A 47 -10.236 4.287 -7.697 1.00 0.00 C ATOM 682 O GLY A 47 -10.694 4.594 -8.797 1.00 0.00 O ATOM 0 H GLY A 47 -9.924 6.832 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.161 4.811 -7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.901 4.721 -6.081 1.00 0.00 H new ATOM 686 N LYS A 48 -10.720 3.290 -6.963 1.00 0.00 N ATOM 687 CA LYS A 48 -11.844 2.482 -7.419 1.00 0.00 C ATOM 688 C LYS A 48 -12.621 1.917 -6.235 1.00 0.00 C ATOM 689 O LYS A 48 -13.850 1.982 -6.197 1.00 0.00 O ATOM 690 CB LYS A 48 -11.351 1.340 -8.310 1.00 0.00 C ATOM 691 CG LYS A 48 -11.147 1.747 -9.761 1.00 0.00 C ATOM 692 CD LYS A 48 -10.672 0.576 -10.606 1.00 0.00 C ATOM 693 CE LYS A 48 -10.697 0.913 -12.088 1.00 0.00 C ATOM 694 NZ LYS A 48 -9.994 2.193 -12.378 1.00 0.00 N ATOM 0 H LYS A 48 -10.351 3.023 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.509 3.123 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.410 0.959 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.069 0.521 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.082 2.134 -10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.418 2.555 -9.814 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.659 0.300 -10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.306 -0.291 -10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.229 0.106 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.731 0.981 -12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.839 2.280 -13.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.574 2.990 -12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.077 2.204 -11.887 1.00 0.00 H new ATOM 708 N ASN A 49 -11.897 1.362 -5.268 1.00 0.00 N ATOM 709 CA ASN A 49 -12.517 0.786 -4.080 1.00 0.00 C ATOM 710 C ASN A 49 -12.514 1.785 -2.928 1.00 0.00 C ATOM 711 O ASN A 49 -12.057 2.918 -3.077 1.00 0.00 O ATOM 712 CB ASN A 49 -11.786 -0.492 -3.665 1.00 0.00 C ATOM 713 CG ASN A 49 -12.057 -1.646 -4.610 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.145 -2.224 -4.607 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.066 -1.989 -5.425 1.00 0.00 N ATOM 0 H ASN A 49 -10.879 1.299 -5.284 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.551 0.541 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.714 -0.299 -3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.093 -0.772 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.190 -2.759 -6.083 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.181 -1.482 -5.393 1.00 0.00 H new ATOM 722 N ASP A 50 -13.028 1.357 -1.779 1.00 0.00 N ATOM 723 CA ASP A 50 -13.083 2.214 -0.601 1.00 0.00 C ATOM 724 C ASP A 50 -12.986 1.388 0.678 1.00 0.00 C ATOM 725 O ASP A 50 -13.623 1.705 1.683 1.00 0.00 O ATOM 726 CB ASP A 50 -14.376 3.031 -0.598 1.00 0.00 C ATOM 727 CG ASP A 50 -15.605 2.170 -0.812 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.626 1.399 -1.795 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.547 2.266 0.003 1.00 0.00 O ATOM 0 H ASP A 50 -13.412 0.422 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.232 2.894 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.467 3.559 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.326 3.788 -1.380 1.00 0.00 H new ATOM 734 N GLY A 51 -12.186 0.329 0.633 1.00 0.00 N ATOM 735 CA GLY A 51 -12.020 -0.526 1.794 1.00 0.00 C ATOM 736 C GLY A 51 -12.778 -1.833 1.665 1.00 0.00 C ATOM 737 O GLY A 51 -12.381 -2.848 2.237 1.00 0.00 O ATOM 0 H GLY A 51 -11.649 0.047 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.960 -0.737 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.363 0.003 2.683 1.00 0.00 H new ATOM 741 N SER A 52 -13.873 -1.808 0.911 1.00 0.00 N ATOM 742 CA SER A 52 -14.689 -2.999 0.709 1.00 0.00 C ATOM 743 C SER A 52 -14.755 -3.368 -0.770 1.00 0.00 C ATOM 744 O SER A 52 -15.238 -2.590 -1.593 1.00 0.00 O ATOM 745 CB SER A 52 -16.100 -2.775 1.254 1.00 0.00 C ATOM 746 OG SER A 52 -16.063 -2.326 2.597 1.00 0.00 O ATOM 0 H SER A 52 -14.215 -0.976 0.430 1.00 0.00 H new ATOM 0 HA SER A 52 -14.225 -3.823 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.619 -2.042 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.668 -3.703 1.193 1.00 0.00 H new ATOM 0 HG SER A 52 -16.978 -2.189 2.921 1.00 0.00 H new ATOM 752 N VAL A 53 -14.266 -4.559 -1.100 1.00 0.00 N ATOM 753 CA VAL A 53 -14.269 -5.030 -2.480 1.00 0.00 C ATOM 754 C VAL A 53 -15.274 -6.160 -2.673 1.00 0.00 C ATOM 755 O VAL A 53 -15.054 -7.284 -2.219 1.00 0.00 O ATOM 756 CB VAL A 53 -12.873 -5.521 -2.909 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.842 -5.808 -4.402 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.809 -4.501 -2.533 1.00 0.00 C ATOM 0 H VAL A 53 -13.863 -5.215 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.555 -4.182 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.657 -6.449 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.848 -6.154 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.575 -6.578 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.080 -4.898 -4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.830 -4.865 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.019 -3.555 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.814 -4.351 -1.453 1.00 0.00 H new ATOM 768 N ALA A 54 -16.378 -5.856 -3.347 1.00 0.00 N ATOM 769 CA ALA A 54 -17.416 -6.846 -3.599 1.00 0.00 C ATOM 770 C ALA A 54 -17.987 -7.388 -2.292 1.00 0.00 C ATOM 771 O ALA A 54 -18.413 -8.541 -2.220 1.00 0.00 O ATOM 772 CB ALA A 54 -16.868 -7.982 -4.450 1.00 0.00 C ATOM 0 H ALA A 54 -16.576 -4.931 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.224 -6.358 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.655 -8.714 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.516 -7.586 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.040 -8.461 -3.928 1.00 0.00 H new ATOM 778 N GLY A 55 -17.990 -6.549 -1.261 1.00 0.00 N ATOM 779 CA GLY A 55 -18.509 -6.962 0.029 1.00 0.00 C ATOM 780 C GLY A 55 -17.409 -7.306 1.014 1.00 0.00 C ATOM 781 O GLY A 55 -17.587 -7.170 2.225 1.00 0.00 O ATOM 0 H GLY A 55 -17.642 -5.591 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.125 -6.163 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.157 -7.828 -0.104 1.00 0.00 H new ATOM 785 N VAL A 56 -16.270 -7.755 0.496 1.00 0.00 N ATOM 786 CA VAL A 56 -15.138 -8.120 1.338 1.00 0.00 C ATOM 787 C VAL A 56 -14.404 -6.881 1.839 1.00 0.00 C ATOM 788 O VAL A 56 -13.781 -6.159 1.061 1.00 0.00 O ATOM 789 CB VAL A 56 -14.144 -9.023 0.584 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.080 -9.554 1.531 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.876 -10.165 -0.104 1.00 0.00 C ATOM 0 H VAL A 56 -16.107 -7.875 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.541 -8.669 2.189 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.649 -8.427 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.387 -10.190 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.535 -8.719 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.554 -10.135 2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.157 -10.792 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.401 -10.762 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.595 -9.760 -0.816 1.00 0.00 H new ATOM 801 N ARG A 57 -14.479 -6.642 3.144 1.00 0.00 N ATOM 802 CA ARG A 57 -13.822 -5.491 3.750 1.00 0.00 C ATOM 803 C ARG A 57 -12.395 -5.836 4.166 1.00 0.00 C ATOM 804 O ARG A 57 -12.153 -6.865 4.796 1.00 0.00 O ATOM 805 CB ARG A 57 -14.615 -5.003 4.963 1.00 0.00 C ATOM 806 CG ARG A 57 -14.078 -3.715 5.564 1.00 0.00 C ATOM 807 CD ARG A 57 -15.013 -3.163 6.628 1.00 0.00 C ATOM 808 NE ARG A 57 -15.440 -4.194 7.570 1.00 0.00 N ATOM 809 CZ ARG A 57 -16.502 -4.080 8.363 1.00 0.00 C ATOM 810 NH1 ARG A 57 -17.248 -2.982 8.332 1.00 0.00 N ATOM 811 NH2 ARG A 57 -16.821 -5.066 9.191 1.00 0.00 N ATOM 0 H ARG A 57 -14.989 -7.231 3.802 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.783 -4.694 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.654 -4.852 4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.609 -5.780 5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.096 -3.898 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.943 -2.973 4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.512 -2.362 7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.889 -2.725 6.149 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.891 -5.052 7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.008 -2.220 7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.061 -2.900 8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.252 -5.912 9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.635 -4.978 9.799 1.00 0.00 H new ATOM 825 N TYR A 58 -11.454 -4.967 3.808 1.00 0.00 N ATOM 826 CA TYR A 58 -10.051 -5.180 4.145 1.00 0.00 C ATOM 827 C TYR A 58 -9.558 -4.115 5.119 1.00 0.00 C ATOM 828 O TYR A 58 -9.066 -4.431 6.202 1.00 0.00 O ATOM 829 CB TYR A 58 -9.194 -5.165 2.878 1.00 0.00 C ATOM 830 CG TYR A 58 -9.545 -6.258 1.895 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.961 -7.515 1.986 1.00 0.00 C ATOM 832 CD2 TYR A 58 -10.462 -6.035 0.876 1.00 0.00 C ATOM 833 CE1 TYR A 58 -9.278 -8.518 1.089 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.787 -7.032 -0.025 1.00 0.00 C ATOM 835 CZ TYR A 58 -10.192 -8.271 0.087 1.00 0.00 C ATOM 836 OH TYR A 58 -10.512 -9.267 -0.808 1.00 0.00 O ATOM 0 H TYR A 58 -11.638 -4.110 3.286 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.962 -6.155 4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.304 -4.198 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.145 -5.263 3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.247 -7.712 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.929 -5.066 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.813 -9.489 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.502 -6.842 -0.811 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.481 -8.910 -1.720 1.00 0.00 H new ATOM 846 N PHE A 59 -9.694 -2.853 4.726 1.00 0.00 N ATOM 847 CA PHE A 59 -9.262 -1.740 5.564 1.00 0.00 C ATOM 848 C PHE A 59 -10.245 -0.577 5.475 1.00 0.00 C ATOM 849 O PHE A 59 -10.995 -0.459 4.506 1.00 0.00 O ATOM 850 CB PHE A 59 -7.864 -1.275 5.151 1.00 0.00 C ATOM 851 CG PHE A 59 -7.801 -0.742 3.748 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.781 -1.608 2.665 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.758 0.622 3.512 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.722 -1.121 1.373 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.698 1.114 2.222 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.680 0.241 1.151 1.00 0.00 C ATOM 0 H PHE A 59 -10.100 -2.575 3.832 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.231 -2.087 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.529 -0.501 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.169 -2.109 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.812 -2.674 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.772 1.309 4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.709 -1.805 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.665 2.180 2.051 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.633 0.623 0.142 1.00 0.00 H new ATOM 866 N GLN A 60 -10.236 0.278 6.491 1.00 0.00 N ATOM 867 CA GLN A 60 -11.127 1.432 6.527 1.00 0.00 C ATOM 868 C GLN A 60 -10.444 2.665 5.943 1.00 0.00 C ATOM 869 O GLN A 60 -9.297 2.966 6.273 1.00 0.00 O ATOM 870 CB GLN A 60 -11.572 1.715 7.963 1.00 0.00 C ATOM 871 CG GLN A 60 -12.589 2.838 8.075 1.00 0.00 C ATOM 872 CD GLN A 60 -14.000 2.380 7.763 1.00 0.00 C ATOM 873 OE1 GLN A 60 -14.370 2.220 6.600 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.797 2.167 8.804 1.00 0.00 N ATOM 0 H GLN A 60 -9.622 0.194 7.301 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.003 1.202 5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.998 0.806 8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.697 1.967 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.560 3.251 9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.313 3.642 7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.448 2.312 9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.758 1.858 8.656 1.00 0.00 H new ATOM 883 N CYS A 61 -11.157 3.373 5.074 1.00 0.00 N ATOM 884 CA CYS A 61 -10.620 4.573 4.443 1.00 0.00 C ATOM 885 C CYS A 61 -11.733 5.396 3.803 1.00 0.00 C ATOM 886 O CYS A 61 -12.908 5.041 3.888 1.00 0.00 O ATOM 887 CB CYS A 61 -9.575 4.198 3.390 1.00 0.00 C ATOM 888 SG CYS A 61 -10.226 3.206 2.026 1.00 0.00 S ATOM 0 H CYS A 61 -12.108 3.137 4.791 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.145 5.178 5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.139 5.111 2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.769 3.647 3.874 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.461 2.172 1.838 1.00 0.00 H new ATOM 894 N GLU A 62 -11.355 6.496 3.159 1.00 0.00 N ATOM 895 CA GLU A 62 -12.322 7.368 2.503 1.00 0.00 C ATOM 896 C GLU A 62 -12.653 6.858 1.103 1.00 0.00 C ATOM 897 O GLU A 62 -11.915 6.055 0.534 1.00 0.00 O ATOM 898 CB GLU A 62 -11.779 8.798 2.426 1.00 0.00 C ATOM 899 CG GLU A 62 -12.333 9.717 3.503 1.00 0.00 C ATOM 900 CD GLU A 62 -13.174 10.844 2.935 1.00 0.00 C ATOM 901 OE1 GLU A 62 -12.910 11.260 1.788 1.00 0.00 O ATOM 902 OE2 GLU A 62 -14.096 11.308 3.637 1.00 0.00 O ATOM 0 H GLU A 62 -10.386 6.804 3.078 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.237 7.366 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.692 8.770 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.015 9.215 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.937 9.133 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.507 10.139 4.075 1.00 0.00 H new ATOM 909 N PRO A 63 -13.777 7.318 0.527 1.00 0.00 N ATOM 910 CA PRO A 63 -14.207 6.904 -0.812 1.00 0.00 C ATOM 911 C PRO A 63 -13.138 7.157 -1.870 1.00 0.00 C ATOM 912 O PRO A 63 -12.489 8.203 -1.874 1.00 0.00 O ATOM 913 CB PRO A 63 -15.435 7.777 -1.084 1.00 0.00 C ATOM 914 CG PRO A 63 -15.937 8.159 0.265 1.00 0.00 C ATOM 915 CD PRO A 63 -14.719 8.275 1.137 1.00 0.00 C ATOM 0 HA PRO A 63 -14.409 5.834 -0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.173 8.656 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.192 7.231 -1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.482 9.102 0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.626 7.408 0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.319 9.289 1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.939 8.018 2.173 1.00 0.00 H new ATOM 923 N LEU A 64 -12.966 6.194 -2.770 1.00 0.00 N ATOM 924 CA LEU A 64 -11.983 6.310 -3.840 1.00 0.00 C ATOM 925 C LEU A 64 -10.588 6.590 -3.286 1.00 0.00 C ATOM 926 O LEU A 64 -9.748 7.179 -3.966 1.00 0.00 O ATOM 927 CB LEU A 64 -12.392 7.422 -4.808 1.00 0.00 C ATOM 928 CG LEU A 64 -13.775 7.250 -5.443 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.548 8.560 -5.405 1.00 0.00 C ATOM 930 CD2 LEU A 64 -13.647 6.747 -6.873 1.00 0.00 C ATOM 0 H LEU A 64 -13.496 5.323 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.951 5.359 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.369 8.373 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.649 7.483 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.328 6.509 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.528 8.418 -5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.672 8.879 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.999 9.323 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.640 6.631 -7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.075 7.464 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.135 5.785 -6.876 1.00 0.00 H new ATOM 942 N LYS A 65 -10.345 6.161 -2.051 1.00 0.00 N ATOM 943 CA LYS A 65 -9.048 6.367 -1.414 1.00 0.00 C ATOM 944 C LYS A 65 -8.434 5.036 -0.993 1.00 0.00 C ATOM 945 O LYS A 65 -7.782 4.943 0.047 1.00 0.00 O ATOM 946 CB LYS A 65 -9.190 7.284 -0.198 1.00 0.00 C ATOM 947 CG LYS A 65 -9.780 8.646 -0.530 1.00 0.00 C ATOM 948 CD LYS A 65 -9.119 9.752 0.276 1.00 0.00 C ATOM 949 CE LYS A 65 -9.596 11.126 -0.167 1.00 0.00 C ATOM 950 NZ LYS A 65 -9.740 12.061 0.982 1.00 0.00 N ATOM 0 H LYS A 65 -11.027 5.670 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.386 6.841 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.821 6.795 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.210 7.423 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.657 8.847 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.851 8.638 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.339 9.613 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.037 9.688 0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.890 11.541 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.553 11.030 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.612 13.039 0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.688 11.957 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.021 11.842 1.700 1.00 0.00 H new ATOM 964 N GLY A 66 -8.647 4.009 -1.809 1.00 0.00 N ATOM 965 CA GLY A 66 -8.108 2.696 -1.506 1.00 0.00 C ATOM 966 C GLY A 66 -8.097 1.783 -2.716 1.00 0.00 C ATOM 967 O GLY A 66 -9.128 1.579 -3.358 1.00 0.00 O ATOM 0 H GLY A 66 -9.183 4.062 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.092 2.802 -1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.699 2.237 -0.713 1.00 0.00 H new ATOM 971 N ILE A 67 -6.930 1.231 -3.026 1.00 0.00 N ATOM 972 CA ILE A 67 -6.789 0.334 -4.167 1.00 0.00 C ATOM 973 C ILE A 67 -5.742 -0.742 -3.895 1.00 0.00 C ATOM 974 O ILE A 67 -4.856 -0.562 -3.059 1.00 0.00 O ATOM 975 CB ILE A 67 -6.403 1.108 -5.445 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.347 0.161 -6.647 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.071 1.819 -5.258 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.193 0.876 -7.973 1.00 0.00 C ATOM 0 H ILE A 67 -6.068 1.388 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.758 -0.141 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.167 1.861 -5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.514 -0.530 -6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.257 -0.438 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.816 2.359 -6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.147 2.522 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.294 1.086 -5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.160 0.144 -8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.039 1.546 -8.125 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.269 1.453 -7.970 1.00 0.00 H new ATOM 990 N PHE A 68 -5.851 -1.859 -4.606 1.00 0.00 N ATOM 991 CA PHE A 68 -4.913 -2.964 -4.440 1.00 0.00 C ATOM 992 C PHE A 68 -4.076 -3.160 -5.701 1.00 0.00 C ATOM 993 O PHE A 68 -4.605 -3.183 -6.812 1.00 0.00 O ATOM 994 CB PHE A 68 -5.665 -4.254 -4.110 1.00 0.00 C ATOM 995 CG PHE A 68 -6.356 -4.220 -2.776 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.553 -3.540 -2.619 1.00 0.00 C ATOM 997 CD2 PHE A 68 -5.809 -4.869 -1.681 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.192 -3.507 -1.393 1.00 0.00 C ATOM 999 CE2 PHE A 68 -6.442 -4.839 -0.453 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.636 -4.158 -0.309 1.00 0.00 C ATOM 0 H PHE A 68 -6.578 -2.023 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.245 -2.719 -3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.404 -4.444 -4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.964 -5.088 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.992 -3.030 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.877 -5.404 -1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.124 -2.973 -1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.004 -5.347 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.133 -4.135 0.649 1.00 0.00 H new ATOM 1010 N THR A 69 -2.767 -3.300 -5.520 1.00 0.00 N ATOM 1011 CA THR A 69 -1.857 -3.494 -6.642 1.00 0.00 C ATOM 1012 C THR A 69 -0.623 -4.280 -6.213 1.00 0.00 C ATOM 1013 O THR A 69 -0.390 -4.487 -5.022 1.00 0.00 O ATOM 1014 CB THR A 69 -1.439 -2.143 -7.225 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.605 -2.321 -8.356 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.695 -1.271 -6.239 1.00 0.00 C ATOM 0 H THR A 69 -2.313 -3.283 -4.607 1.00 0.00 H new ATOM 0 HA THR A 69 -2.381 -4.066 -7.408 1.00 0.00 H new ATOM 0 HB THR A 69 -2.370 -1.645 -7.496 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.350 -1.446 -8.715 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.428 -0.328 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.331 -1.073 -5.376 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.211 -1.782 -5.913 1.00 0.00 H new ATOM 1024 N ARG A 70 0.164 -4.716 -7.190 1.00 0.00 N ATOM 1025 CA ARG A 70 1.375 -5.480 -6.913 1.00 0.00 C ATOM 1026 C ARG A 70 2.401 -4.621 -6.175 1.00 0.00 C ATOM 1027 O ARG A 70 2.801 -3.564 -6.663 1.00 0.00 O ATOM 1028 CB ARG A 70 1.979 -6.005 -8.218 1.00 0.00 C ATOM 1029 CG ARG A 70 1.059 -6.948 -8.977 1.00 0.00 C ATOM 1030 CD ARG A 70 1.842 -7.848 -9.920 1.00 0.00 C ATOM 1031 NE ARG A 70 2.279 -9.078 -9.265 1.00 0.00 N ATOM 1032 CZ ARG A 70 2.793 -10.121 -9.913 1.00 0.00 C ATOM 1033 NH1 ARG A 70 2.937 -10.086 -11.233 1.00 0.00 N ATOM 1034 NH2 ARG A 70 3.166 -11.201 -9.241 1.00 0.00 N ATOM 0 H ARG A 70 -0.015 -4.554 -8.181 1.00 0.00 H new ATOM 0 HA ARG A 70 1.107 -6.324 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.229 -5.160 -8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.912 -6.522 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.499 -7.559 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.331 -6.369 -9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.223 -8.096 -10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.711 -7.309 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 70 2.185 -9.142 -8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.653 -9.257 -11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.331 -10.888 -11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.059 -11.233 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.560 -12.000 -9.738 1.00 0.00 H new ATOM 1048 N PRO A 71 2.849 -5.062 -4.984 1.00 0.00 N ATOM 1049 CA PRO A 71 3.835 -4.319 -4.190 1.00 0.00 C ATOM 1050 C PRO A 71 5.113 -4.045 -4.975 1.00 0.00 C ATOM 1051 O PRO A 71 5.662 -2.944 -4.923 1.00 0.00 O ATOM 1052 CB PRO A 71 4.126 -5.248 -3.008 1.00 0.00 C ATOM 1053 CG PRO A 71 2.936 -6.138 -2.913 1.00 0.00 C ATOM 1054 CD PRO A 71 2.435 -6.311 -4.320 1.00 0.00 C ATOM 0 HA PRO A 71 3.461 -3.340 -3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.037 -5.824 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.270 -4.682 -2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.202 -7.099 -2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.169 -5.697 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.875 -7.186 -4.799 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.353 -6.442 -4.348 1.00 0.00 H new ATOM 1062 N SER A 72 5.581 -5.054 -5.701 1.00 0.00 N ATOM 1063 CA SER A 72 6.794 -4.926 -6.498 1.00 0.00 C ATOM 1064 C SER A 72 6.659 -3.810 -7.532 1.00 0.00 C ATOM 1065 O SER A 72 7.658 -3.297 -8.036 1.00 0.00 O ATOM 1066 CB SER A 72 7.110 -6.249 -7.199 1.00 0.00 C ATOM 1067 OG SER A 72 8.439 -6.260 -7.692 1.00 0.00 O ATOM 0 H SER A 72 5.137 -5.971 -5.754 1.00 0.00 H new ATOM 0 HA SER A 72 7.612 -4.672 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.970 -7.076 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.412 -6.404 -8.022 1.00 0.00 H new ATOM 0 HG SER A 72 8.617 -7.116 -8.134 1.00 0.00 H new ATOM 1073 N LYS A 73 5.420 -3.436 -7.845 1.00 0.00 N ATOM 1074 CA LYS A 73 5.163 -2.383 -8.819 1.00 0.00 C ATOM 1075 C LYS A 73 4.977 -1.031 -8.133 1.00 0.00 C ATOM 1076 O LYS A 73 4.287 -0.153 -8.651 1.00 0.00 O ATOM 1077 CB LYS A 73 3.922 -2.719 -9.648 1.00 0.00 C ATOM 1078 CG LYS A 73 4.134 -3.868 -10.622 1.00 0.00 C ATOM 1079 CD LYS A 73 3.622 -3.528 -12.015 1.00 0.00 C ATOM 1080 CE LYS A 73 2.565 -4.517 -12.480 1.00 0.00 C ATOM 1081 NZ LYS A 73 3.172 -5.720 -13.116 1.00 0.00 N ATOM 0 H LYS A 73 4.580 -3.848 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 73 6.029 -2.318 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.103 -2.971 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.616 -1.833 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.196 -4.110 -10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.622 -4.757 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.204 -2.521 -12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.454 -3.526 -12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.956 -4.824 -11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.898 -4.028 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.419 -6.370 -13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.733 -5.430 -13.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.789 -6.201 -12.431 1.00 0.00 H new ATOM 1095 N LEU A 74 5.597 -0.869 -6.968 1.00 0.00 N ATOM 1096 CA LEU A 74 5.498 0.378 -6.217 1.00 0.00 C ATOM 1097 C LEU A 74 6.836 1.109 -6.203 1.00 0.00 C ATOM 1098 O LEU A 74 7.885 0.508 -6.434 1.00 0.00 O ATOM 1099 CB LEU A 74 5.038 0.102 -4.784 1.00 0.00 C ATOM 1100 CG LEU A 74 3.576 -0.326 -4.645 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.298 -0.820 -3.234 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.648 0.823 -5.002 1.00 0.00 C ATOM 0 H LEU A 74 6.173 -1.585 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 74 4.761 1.013 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.671 -0.677 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.196 1.001 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 74 3.389 -1.146 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.253 -1.120 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.939 -1.674 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.502 -0.020 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.612 0.500 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.835 1.663 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.830 1.131 -6.032 1.00 0.00 H new ATOM 1114 N THR A 75 6.794 2.410 -5.933 1.00 0.00 N ATOM 1115 CA THR A 75 8.004 3.222 -5.890 1.00 0.00 C ATOM 1116 C THR A 75 8.114 3.970 -4.566 1.00 0.00 C ATOM 1117 O THR A 75 7.136 4.101 -3.832 1.00 0.00 O ATOM 1118 CB THR A 75 8.016 4.215 -7.052 1.00 0.00 C ATOM 1119 OG1 THR A 75 6.779 4.901 -7.139 1.00 0.00 O ATOM 1120 CG2 THR A 75 8.276 3.565 -8.394 1.00 0.00 C ATOM 0 H THR A 75 5.934 2.924 -5.741 1.00 0.00 H new ATOM 0 HA THR A 75 8.862 2.555 -5.980 1.00 0.00 H new ATOM 0 HB THR A 75 8.834 4.902 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.047 4.251 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.271 4.326 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.247 3.070 -8.376 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.498 2.830 -8.599 1.00 0.00 H new ATOM 1128 N ARG A 76 9.314 4.459 -4.268 1.00 0.00 N ATOM 1129 CA ARG A 76 9.555 5.195 -3.032 1.00 0.00 C ATOM 1130 C ARG A 76 9.842 6.664 -3.323 1.00 0.00 C ATOM 1131 O ARG A 76 10.944 7.021 -3.738 1.00 0.00 O ATOM 1132 CB ARG A 76 10.725 4.576 -2.266 1.00 0.00 C ATOM 1133 CG ARG A 76 10.387 3.248 -1.609 1.00 0.00 C ATOM 1134 CD ARG A 76 11.642 2.479 -1.229 1.00 0.00 C ATOM 1135 NE ARG A 76 11.497 1.044 -1.463 1.00 0.00 N ATOM 1136 CZ ARG A 76 12.280 0.119 -0.910 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.262 0.475 -0.092 1.00 0.00 N ATOM 1138 NH2 ARG A 76 12.078 -1.164 -1.176 1.00 0.00 N ATOM 0 H ARG A 76 10.134 4.359 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 76 8.656 5.133 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.561 4.431 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.058 5.276 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.784 3.425 -0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.783 2.648 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.487 2.857 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.870 2.654 -0.177 1.00 0.00 H new ATOM 0 HE ARG A 76 10.752 0.732 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.420 1.461 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.859 -0.237 0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.324 -1.442 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.677 -1.873 -0.753 1.00 0.00 H new ATOM 1152 N LYS A 77 8.842 7.512 -3.104 1.00 0.00 N ATOM 1153 CA LYS A 77 8.986 8.943 -3.343 1.00 0.00 C ATOM 1154 C LYS A 77 9.297 9.221 -4.811 1.00 0.00 C ATOM 1155 O LYS A 77 9.635 8.310 -5.567 1.00 0.00 O ATOM 1156 CB LYS A 77 10.090 9.522 -2.457 1.00 0.00 C ATOM 1157 CG LYS A 77 9.779 10.913 -1.929 1.00 0.00 C ATOM 1158 CD LYS A 77 10.815 11.368 -0.912 1.00 0.00 C ATOM 1159 CE LYS A 77 10.213 12.315 0.114 1.00 0.00 C ATOM 1160 NZ LYS A 77 10.816 13.674 0.037 1.00 0.00 N ATOM 0 H LYS A 77 7.923 7.232 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 77 8.040 9.424 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.257 8.851 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.019 9.557 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.747 11.619 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.791 10.916 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.234 10.499 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.638 11.864 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.137 12.386 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.361 11.908 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.378 14.289 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.839 13.610 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.652 14.073 -0.909 1.00 0.00 H new