USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 711 MET CE :methyl 152:sc= -3.63! (180deg=-2.24) USER MOD Set 1.2: A 714 MET CE :methyl 156:sc= -1.27 (180deg=-1.3) USER MOD Set 2.1: A 675 CYS SG : rot 150:sc= -1 USER MOD Set 2.2: A 710 MET CE :methyl -121:sc= -0.122 (180deg=-0.293) USER MOD Set 3.1: A 680 TYR OH : rot 130:sc= 1.01 USER MOD Set 3.2: A 684 LYS NZ :NH3+ -129:sc= -0.0263 (180deg=-0.189) USER MOD Set 4.1: A 669 LYS NZ :NH3+ -120:sc= 0 (180deg=0) USER MOD Set 4.2: A 673 ASN :FLIP amide:sc= -1.03 F(o=-3.7!,f=-1) USER MOD Set 5.1: A 664 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 667 MET CE :methyl -105:sc= -0.432 (180deg=-0.769) USER MOD Single : A 652 CYS SG : rot 180:sc= 0 USER MOD Single : A 653 GLN : amide:sc=-0.00557 K(o=-0.0056,f=-0.99) USER MOD Single : A 658 ASN :FLIP amide:sc= -1.02 F(o=-2.5!,f=-1) USER MOD Single : A 666 LYS NZ :NH3+ 163:sc= -0.0264 (180deg=-0.267) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 HIS :FLIP no HD1:sc= -0.801 F(o=-2.2!,f=-0.8) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 16:sc= -0.974 USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 708 CYS SG : rot -35:sc= -0.367 USER MOD Single : A 712 ASN : amide:sc= -0.749! X(o=-0.75!,f=-0.76) USER MOD Single : A 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 717 SER OG : rot -52:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.142 -3.108 7.415 1.00 0.00 N ATOM 77 CA CYS A 652 7.834 -3.696 7.681 1.00 0.00 C ATOM 78 C CYS A 652 6.813 -3.243 6.642 1.00 0.00 C ATOM 79 O CYS A 652 5.704 -3.773 6.577 1.00 0.00 O ATOM 80 CB CYS A 652 7.356 -3.315 9.083 1.00 0.00 C ATOM 81 SG CYS A 652 7.102 -1.541 9.320 1.00 0.00 S ATOM 0 HA CYS A 652 7.931 -4.780 7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.421 -3.836 9.290 1.00 0.00 H new ATOM 0 HB3 CYS A 652 8.086 -3.667 9.812 1.00 0.00 H new ATOM 0 HG CYS A 652 6.697 -1.319 10.535 1.00 0.00 H new ATOM 87 N GLN A 653 7.195 -2.259 5.834 1.00 0.00 N ATOM 88 CA GLN A 653 6.311 -1.733 4.801 1.00 0.00 C ATOM 89 C GLN A 653 6.743 -2.214 3.419 1.00 0.00 C ATOM 90 O GLN A 653 7.932 -2.403 3.161 1.00 0.00 O ATOM 91 CB GLN A 653 6.297 -0.204 4.841 1.00 0.00 C ATOM 92 CG GLN A 653 5.455 0.426 3.743 1.00 0.00 C ATOM 93 CD GLN A 653 5.351 1.932 3.879 1.00 0.00 C ATOM 94 OE1 GLN A 653 5.460 2.477 4.978 1.00 0.00 O ATOM 95 NE2 GLN A 653 5.139 2.614 2.760 1.00 0.00 N ATOM 0 H GLN A 653 8.110 -1.810 5.875 1.00 0.00 H new ATOM 0 HA GLN A 653 5.305 -2.103 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.919 0.122 5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.320 0.163 4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 653 5.888 0.182 2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.455 -0.007 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 653 5.055 2.122 1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 653 5.060 3.631 2.789 1.00 0.00 H new ATOM 104 N ILE A 654 5.771 -2.409 2.535 1.00 0.00 N ATOM 105 CA ILE A 654 6.051 -2.867 1.180 1.00 0.00 C ATOM 106 C ILE A 654 5.257 -2.066 0.154 1.00 0.00 C ATOM 107 O ILE A 654 4.379 -1.279 0.509 1.00 0.00 O ATOM 108 CB ILE A 654 5.725 -4.362 1.012 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.239 -4.615 1.274 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.583 -5.200 1.948 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.758 -5.960 0.776 1.00 0.00 C ATOM 0 H ILE A 654 4.782 -2.257 2.733 1.00 0.00 H new ATOM 0 HA ILE A 654 7.117 -2.715 1.010 1.00 0.00 H new ATOM 0 HB ILE A 654 5.949 -4.654 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 654 4.050 -4.545 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.655 -3.829 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.341 -6.255 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.636 -5.039 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.388 -4.908 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.696 -6.071 0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.915 -6.027 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.316 -6.753 1.274 1.00 0.00 H new ATOM 123 N PHE A 655 5.569 -2.274 -1.121 1.00 0.00 N ATOM 124 CA PHE A 655 4.883 -1.572 -2.200 1.00 0.00 C ATOM 125 C PHE A 655 4.300 -2.560 -3.207 1.00 0.00 C ATOM 126 O PHE A 655 4.819 -3.662 -3.384 1.00 0.00 O ATOM 127 CB PHE A 655 5.846 -0.615 -2.906 1.00 0.00 C ATOM 128 CG PHE A 655 5.155 0.517 -3.611 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.732 0.379 -4.923 1.00 0.00 C ATOM 130 CD2 PHE A 655 4.928 1.720 -2.961 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.096 1.420 -5.574 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.293 2.764 -3.607 1.00 0.00 C ATOM 133 CZ PHE A 655 3.876 2.613 -4.915 1.00 0.00 C ATOM 0 H PHE A 655 6.292 -2.923 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 655 4.065 -0.998 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.542 -0.206 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.438 -1.176 -3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 655 4.901 -0.552 -5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.251 1.843 -1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.772 1.300 -6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.123 3.697 -3.090 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.379 3.427 -5.421 1.00 0.00 H new ATOM 143 N VAL A 656 3.218 -2.156 -3.864 1.00 0.00 N ATOM 144 CA VAL A 656 2.564 -3.003 -4.854 1.00 0.00 C ATOM 145 C VAL A 656 2.256 -2.224 -6.127 1.00 0.00 C ATOM 146 O VAL A 656 2.070 -1.008 -6.093 1.00 0.00 O ATOM 147 CB VAL A 656 1.256 -3.602 -4.303 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.682 -4.618 -5.278 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.493 -4.235 -2.940 1.00 0.00 C ATOM 0 H VAL A 656 2.776 -1.247 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 656 3.257 -3.812 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 656 0.530 -2.798 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.242 -5.030 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.474 -4.131 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.402 -5.422 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.559 -4.653 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.235 -5.028 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.856 -3.478 -2.245 1.00 0.00 H new ATOM 159 N ARG A 657 2.204 -2.933 -7.250 1.00 0.00 N ATOM 160 CA ARG A 657 1.919 -2.308 -8.536 1.00 0.00 C ATOM 161 C ARG A 657 1.161 -3.266 -9.450 1.00 0.00 C ATOM 162 O ARG A 657 1.210 -4.481 -9.269 1.00 0.00 O ATOM 163 CB ARG A 657 3.218 -1.864 -9.210 1.00 0.00 C ATOM 164 CG ARG A 657 3.993 -0.825 -8.415 1.00 0.00 C ATOM 165 CD ARG A 657 5.344 -0.532 -9.049 1.00 0.00 C ATOM 166 NE ARG A 657 6.000 0.618 -8.432 1.00 0.00 N ATOM 167 CZ ARG A 657 7.236 1.003 -8.727 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.947 0.335 -9.625 1.00 0.00 N ATOM 169 NH2 ARG A 657 7.764 2.060 -8.123 1.00 0.00 N ATOM 0 H ARG A 657 2.356 -3.941 -7.295 1.00 0.00 H new ATOM 0 HA ARG A 657 1.294 -1.434 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.852 -2.736 -9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.986 -1.457 -10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.412 0.095 -8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.138 -1.180 -7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.986 -1.408 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 657 5.212 -0.345 -10.115 1.00 0.00 H new ATOM 0 HE ARG A 657 5.481 1.154 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 657 7.545 -0.478 -10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 657 8.896 0.634 -9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 657 7.220 2.577 -7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 657 8.714 2.356 -8.350 1.00 0.00 H new ATOM 183 N ASN A 658 0.460 -2.708 -10.432 1.00 0.00 N ATOM 184 CA ASN A 658 -0.310 -3.512 -11.374 1.00 0.00 C ATOM 185 C ASN A 658 -1.541 -4.110 -10.700 1.00 0.00 C ATOM 186 O ASN A 658 -1.951 -5.230 -11.011 1.00 0.00 O ATOM 187 CB ASN A 658 0.561 -4.629 -11.954 1.00 0.00 C ATOM 188 CG ASN A 658 0.129 -5.034 -13.350 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.355 -6.263 -13.486 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.228 -4.250 -14.294 1.00 0.00 N flip ATOM 0 H ASN A 658 0.409 -1.703 -10.596 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.641 -2.861 -12.183 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.600 -4.300 -11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.518 -5.498 -11.297 1.00 0.00 H new ATOM 0 HD21 ASN A 658 0.606 -3.315 -14.143 1.00 0.00 H new ATOM 0 HD22 ASN A 658 -0.068 -4.536 -15.227 1.00 0.00 H new ATOM 197 N LEU A 659 -2.128 -3.356 -9.777 1.00 0.00 N ATOM 198 CA LEU A 659 -3.313 -3.811 -9.058 1.00 0.00 C ATOM 199 C LEU A 659 -4.580 -3.506 -9.851 1.00 0.00 C ATOM 200 O LEU A 659 -4.693 -2.477 -10.516 1.00 0.00 O ATOM 201 CB LEU A 659 -3.386 -3.145 -7.683 1.00 0.00 C ATOM 202 CG LEU A 659 -2.466 -3.725 -6.607 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.261 -2.721 -5.483 1.00 0.00 C ATOM 204 CD2 LEU A 659 -3.034 -5.028 -6.064 1.00 0.00 C ATOM 0 H LEU A 659 -1.803 -2.427 -9.509 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.238 -4.891 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.152 -2.087 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.414 -3.206 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.497 -3.936 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.604 -3.151 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -1.809 -1.814 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.223 -2.478 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -2.366 -5.426 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -4.016 -4.843 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -3.128 -5.750 -6.875 1.00 0.00 H new ATOM 216 N PRO A 660 -5.558 -4.421 -9.778 1.00 0.00 N ATOM 217 CA PRO A 660 -6.837 -4.271 -10.480 1.00 0.00 C ATOM 218 C PRO A 660 -7.452 -2.891 -10.276 1.00 0.00 C ATOM 219 O PRO A 660 -7.304 -2.285 -9.214 1.00 0.00 O ATOM 220 CB PRO A 660 -7.719 -5.349 -9.845 1.00 0.00 C ATOM 221 CG PRO A 660 -6.763 -6.382 -9.358 1.00 0.00 C ATOM 222 CD PRO A 660 -5.492 -5.672 -9.003 1.00 0.00 C ATOM 0 HA PRO A 660 -6.724 -4.375 -11.559 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.314 -4.943 -9.027 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.418 -5.767 -10.570 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.168 -6.904 -8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.583 -7.133 -10.127 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.429 -5.476 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.616 -6.263 -9.271 1.00 0.00 H new ATOM 230 N PHE A 661 -8.143 -2.399 -11.299 1.00 0.00 N ATOM 231 CA PHE A 661 -8.780 -1.089 -11.232 1.00 0.00 C ATOM 232 C PHE A 661 -9.878 -1.072 -10.172 1.00 0.00 C ATOM 233 O PHE A 661 -10.171 -0.032 -9.583 1.00 0.00 O ATOM 234 CB PHE A 661 -9.365 -0.713 -12.594 1.00 0.00 C ATOM 235 CG PHE A 661 -8.379 -0.037 -13.504 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.755 1.139 -13.120 1.00 0.00 C ATOM 237 CD2 PHE A 661 -8.077 -0.577 -14.743 1.00 0.00 C ATOM 238 CE1 PHE A 661 -6.848 1.763 -13.955 1.00 0.00 C ATOM 239 CE2 PHE A 661 -7.170 0.042 -15.583 1.00 0.00 C ATOM 240 CZ PHE A 661 -6.554 1.213 -15.188 1.00 0.00 C ATOM 0 H PHE A 661 -8.276 -2.888 -12.184 1.00 0.00 H new ATOM 0 HA PHE A 661 -8.021 -0.357 -10.956 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -9.739 -1.614 -13.081 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.220 -0.054 -12.444 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.980 1.573 -12.157 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -8.556 -1.493 -15.057 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -6.369 2.680 -13.644 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -6.944 -0.390 -16.547 1.00 0.00 H new ATOM 0 HZ PHE A 661 -5.844 1.698 -15.841 1.00 0.00 H new ATOM 250 N ASP A 662 -10.481 -2.232 -9.936 1.00 0.00 N ATOM 251 CA ASP A 662 -11.547 -2.352 -8.947 1.00 0.00 C ATOM 252 C ASP A 662 -10.992 -2.817 -7.604 1.00 0.00 C ATOM 253 O ASP A 662 -11.743 -3.224 -6.718 1.00 0.00 O ATOM 254 CB ASP A 662 -12.618 -3.329 -9.436 1.00 0.00 C ATOM 255 CG ASP A 662 -13.693 -2.645 -10.256 1.00 0.00 C ATOM 256 OD1 ASP A 662 -13.442 -2.361 -11.447 1.00 0.00 O ATOM 257 OD2 ASP A 662 -14.787 -2.394 -9.709 1.00 0.00 O ATOM 0 H ASP A 662 -10.250 -3.102 -10.415 1.00 0.00 H new ATOM 0 HA ASP A 662 -11.997 -1.368 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -12.148 -4.108 -10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -13.077 -3.820 -8.578 1.00 0.00 H new ATOM 262 N PHE A 663 -9.672 -2.755 -7.462 1.00 0.00 N ATOM 263 CA PHE A 663 -9.016 -3.171 -6.227 1.00 0.00 C ATOM 264 C PHE A 663 -9.127 -2.087 -5.160 1.00 0.00 C ATOM 265 O PHE A 663 -8.689 -0.953 -5.361 1.00 0.00 O ATOM 266 CB PHE A 663 -7.544 -3.494 -6.491 1.00 0.00 C ATOM 267 CG PHE A 663 -6.987 -4.544 -5.573 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.583 -5.792 -5.484 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.867 -4.283 -4.800 1.00 0.00 C ATOM 270 CE1 PHE A 663 -7.072 -6.759 -4.639 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.352 -5.247 -3.953 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.955 -6.487 -3.874 1.00 0.00 C ATOM 0 H PHE A 663 -9.036 -2.421 -8.186 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.518 -4.067 -5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.433 -3.829 -7.522 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.956 -2.582 -6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.456 -6.011 -6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.391 -3.315 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.546 -7.727 -4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.480 -5.031 -3.354 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.554 -7.243 -3.215 1.00 0.00 H new ATOM 282 N THR A 664 -9.717 -2.442 -4.023 1.00 0.00 N ATOM 283 CA THR A 664 -9.887 -1.500 -2.923 1.00 0.00 C ATOM 284 C THR A 664 -8.899 -1.784 -1.798 1.00 0.00 C ATOM 285 O THR A 664 -8.227 -2.816 -1.795 1.00 0.00 O ATOM 286 CB THR A 664 -11.319 -1.550 -2.359 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.635 -2.882 -1.939 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.328 -1.088 -3.400 1.00 0.00 C ATOM 0 H THR A 664 -10.085 -3.375 -3.840 1.00 0.00 H new ATOM 0 HA THR A 664 -9.697 -0.505 -3.326 1.00 0.00 H new ATOM 0 HB THR A 664 -11.371 -0.878 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.547 -2.904 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.332 -1.132 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.103 -0.063 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.273 -1.737 -4.274 1.00 0.00 H new ATOM 296 N TRP A 665 -8.816 -0.864 -0.844 1.00 0.00 N ATOM 297 CA TRP A 665 -7.910 -1.016 0.288 1.00 0.00 C ATOM 298 C TRP A 665 -8.283 -2.236 1.124 1.00 0.00 C ATOM 299 O TRP A 665 -7.420 -3.021 1.516 1.00 0.00 O ATOM 300 CB TRP A 665 -7.932 0.241 1.159 1.00 0.00 C ATOM 301 CG TRP A 665 -9.076 0.273 2.127 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.187 1.064 2.056 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.220 -0.520 3.310 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.013 0.811 3.125 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.442 -0.157 3.909 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.436 -1.501 3.922 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.896 -0.742 5.088 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.887 -2.081 5.093 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.108 -1.700 5.666 1.00 0.00 C ATOM 0 H TRP A 665 -9.365 -0.005 -0.832 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.903 -1.160 -0.102 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -6.995 0.307 1.712 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -7.985 1.119 0.516 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.387 1.783 1.275 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -11.906 1.269 3.305 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.494 -1.801 3.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.837 -0.450 5.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.289 -2.840 5.574 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.433 -2.172 6.581 1.00 0.00 H new ATOM 320 N LYS A 666 -9.575 -2.388 1.395 1.00 0.00 N ATOM 321 CA LYS A 666 -10.064 -3.513 2.184 1.00 0.00 C ATOM 322 C LYS A 666 -9.542 -4.835 1.629 1.00 0.00 C ATOM 323 O LYS A 666 -9.074 -5.691 2.378 1.00 0.00 O ATOM 324 CB LYS A 666 -11.594 -3.524 2.201 1.00 0.00 C ATOM 325 CG LYS A 666 -12.185 -4.656 3.023 1.00 0.00 C ATOM 326 CD LYS A 666 -12.340 -4.264 4.483 1.00 0.00 C ATOM 327 CE LYS A 666 -13.532 -3.343 4.690 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.824 -4.049 4.463 1.00 0.00 N ATOM 0 H LYS A 666 -10.302 -1.746 1.080 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.696 -3.396 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.951 -2.574 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.960 -3.600 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.157 -4.934 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.544 -5.535 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -12.462 -5.161 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.432 -3.768 4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.510 -2.943 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.458 -2.494 4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.600 -3.497 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.987 -4.155 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.789 -4.989 4.907 1.00 0.00 H new ATOM 342 N MET A 667 -9.626 -4.992 0.312 1.00 0.00 N ATOM 343 CA MET A 667 -9.159 -6.209 -0.343 1.00 0.00 C ATOM 344 C MET A 667 -7.642 -6.332 -0.244 1.00 0.00 C ATOM 345 O MET A 667 -7.120 -7.362 0.184 1.00 0.00 O ATOM 346 CB MET A 667 -9.588 -6.219 -1.812 1.00 0.00 C ATOM 347 CG MET A 667 -10.969 -6.814 -2.038 1.00 0.00 C ATOM 348 SD MET A 667 -11.219 -7.364 -3.736 1.00 0.00 S ATOM 349 CE MET A 667 -11.507 -5.800 -4.560 1.00 0.00 C ATOM 0 H MET A 667 -10.013 -4.293 -0.322 1.00 0.00 H new ATOM 0 HA MET A 667 -9.609 -7.061 0.166 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.575 -5.198 -2.193 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.858 -6.785 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.112 -7.657 -1.362 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.726 -6.071 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 667 -12.568 -5.698 -4.787 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.195 -4.983 -3.909 1.00 0.00 H new ATOM 0 HE3 MET A 667 -10.933 -5.766 -5.486 1.00 0.00 H new ATOM 359 N LEU A 668 -6.940 -5.277 -0.641 1.00 0.00 N ATOM 360 CA LEU A 668 -5.482 -5.268 -0.597 1.00 0.00 C ATOM 361 C LEU A 668 -4.975 -5.768 0.752 1.00 0.00 C ATOM 362 O LEU A 668 -4.047 -6.574 0.819 1.00 0.00 O ATOM 363 CB LEU A 668 -4.953 -3.857 -0.862 1.00 0.00 C ATOM 364 CG LEU A 668 -3.472 -3.628 -0.559 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.601 -4.367 -1.563 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.150 -2.140 -0.565 1.00 0.00 C ATOM 0 H LEU A 668 -7.356 -4.417 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.115 -5.939 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.131 -3.615 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.538 -3.154 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.259 -4.022 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.550 -4.192 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.811 -5.435 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.816 -4.004 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.092 -1.996 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.379 -1.722 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.748 -1.635 0.193 1.00 0.00 H new ATOM 378 N LYS A 669 -5.591 -5.286 1.826 1.00 0.00 N ATOM 379 CA LYS A 669 -5.206 -5.686 3.174 1.00 0.00 C ATOM 380 C LYS A 669 -5.464 -7.173 3.395 1.00 0.00 C ATOM 381 O LYS A 669 -4.528 -7.968 3.485 1.00 0.00 O ATOM 382 CB LYS A 669 -5.976 -4.864 4.211 1.00 0.00 C ATOM 383 CG LYS A 669 -5.845 -5.397 5.628 1.00 0.00 C ATOM 384 CD LYS A 669 -6.611 -4.538 6.619 1.00 0.00 C ATOM 385 CE LYS A 669 -6.054 -4.682 8.028 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.575 -5.900 8.708 1.00 0.00 N ATOM 0 H LYS A 669 -6.360 -4.617 1.789 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.138 -5.499 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.619 -3.835 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.030 -4.843 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.217 -6.421 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -4.793 -5.429 5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.561 -3.493 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.663 -4.822 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -4.966 -4.727 7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.314 -3.800 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -7.088 -5.624 9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.220 -6.406 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -5.781 -6.522 8.962 1.00 0.00 H new ATOM 400 N ASP A 670 -6.737 -7.542 3.480 1.00 0.00 N ATOM 401 CA ASP A 670 -7.117 -8.934 3.688 1.00 0.00 C ATOM 402 C ASP A 670 -6.353 -9.853 2.740 1.00 0.00 C ATOM 403 O ASP A 670 -6.167 -11.037 3.021 1.00 0.00 O ATOM 404 CB ASP A 670 -8.623 -9.110 3.485 1.00 0.00 C ATOM 405 CG ASP A 670 -8.989 -10.516 3.054 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.905 -11.436 3.896 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.360 -10.698 1.876 1.00 0.00 O ATOM 0 H ASP A 670 -7.523 -6.896 3.408 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.862 -9.205 4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.142 -8.871 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.971 -8.401 2.734 1.00 0.00 H new ATOM 412 N LYS A 671 -5.913 -9.301 1.614 1.00 0.00 N ATOM 413 CA LYS A 671 -5.169 -10.069 0.624 1.00 0.00 C ATOM 414 C LYS A 671 -3.786 -10.438 1.149 1.00 0.00 C ATOM 415 O LYS A 671 -3.321 -11.564 0.965 1.00 0.00 O ATOM 416 CB LYS A 671 -5.037 -9.272 -0.676 1.00 0.00 C ATOM 417 CG LYS A 671 -4.505 -10.090 -1.840 1.00 0.00 C ATOM 418 CD LYS A 671 -5.566 -11.024 -2.397 1.00 0.00 C ATOM 419 CE LYS A 671 -4.949 -12.133 -3.235 1.00 0.00 C ATOM 420 NZ LYS A 671 -5.760 -13.381 -3.188 1.00 0.00 N ATOM 0 H LYS A 671 -6.059 -8.323 1.365 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.720 -10.988 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.012 -8.866 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.374 -8.423 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.158 -9.421 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.643 -10.671 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -6.135 -11.461 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -6.269 -10.455 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -4.857 -11.799 -4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -3.941 -12.341 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -5.306 -14.112 -3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -5.827 -13.715 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -6.714 -13.189 -3.554 1.00 0.00 H new ATOM 434 N PHE A 672 -3.132 -9.484 1.803 1.00 0.00 N ATOM 435 CA PHE A 672 -1.801 -9.710 2.355 1.00 0.00 C ATOM 436 C PHE A 672 -1.888 -10.327 3.748 1.00 0.00 C ATOM 437 O PHE A 672 -0.941 -10.956 4.219 1.00 0.00 O ATOM 438 CB PHE A 672 -1.022 -8.394 2.416 1.00 0.00 C ATOM 439 CG PHE A 672 -0.306 -8.062 1.138 1.00 0.00 C ATOM 440 CD1 PHE A 672 -0.990 -7.508 0.069 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.052 -8.304 1.007 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.334 -7.203 -1.108 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.714 -8.000 -0.168 1.00 0.00 C ATOM 444 CZ PHE A 672 1.020 -7.448 -1.226 1.00 0.00 C ATOM 0 H PHE A 672 -3.502 -8.547 1.964 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.276 -10.406 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.710 -7.584 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.295 -8.448 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.048 -7.312 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.600 -8.735 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -0.880 -6.773 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.773 -8.194 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.535 -7.208 -2.144 1.00 0.00 H new ATOM 454 N ASN A 673 -3.031 -10.143 4.401 1.00 0.00 N ATOM 455 CA ASN A 673 -3.242 -10.681 5.740 1.00 0.00 C ATOM 456 C ASN A 673 -2.758 -12.125 5.828 1.00 0.00 C ATOM 457 O ASN A 673 -2.209 -12.544 6.846 1.00 0.00 O ATOM 458 CB ASN A 673 -4.723 -10.603 6.116 1.00 0.00 C ATOM 459 CG ASN A 673 -5.078 -9.298 6.802 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.663 -8.185 6.207 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.717 -9.290 7.854 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.825 -9.625 4.025 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.664 -10.080 6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.329 -10.714 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -4.972 -11.436 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -6.016 -10.169 8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -5.948 -8.404 8.304 1.00 0.00 H new ATOM 468 N GLU A 674 -2.967 -12.880 4.754 1.00 0.00 N ATOM 469 CA GLU A 674 -2.552 -14.277 4.711 1.00 0.00 C ATOM 470 C GLU A 674 -1.124 -14.437 5.224 1.00 0.00 C ATOM 471 O GLU A 674 -0.833 -15.335 6.015 1.00 0.00 O ATOM 472 CB GLU A 674 -2.657 -14.820 3.285 1.00 0.00 C ATOM 473 CG GLU A 674 -4.062 -14.753 2.710 1.00 0.00 C ATOM 474 CD GLU A 674 -4.097 -15.034 1.220 1.00 0.00 C ATOM 475 OE1 GLU A 674 -3.620 -14.179 0.444 1.00 0.00 O ATOM 476 OE2 GLU A 674 -4.601 -16.107 0.830 1.00 0.00 O ATOM 0 H GLU A 674 -3.421 -12.548 3.903 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.218 -14.847 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -1.982 -14.257 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.318 -15.856 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.697 -15.473 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.481 -13.765 2.899 1.00 0.00 H new ATOM 483 N CYS A 675 -0.236 -13.560 4.767 1.00 0.00 N ATOM 484 CA CYS A 675 1.163 -13.604 5.177 1.00 0.00 C ATOM 485 C CYS A 675 1.306 -13.267 6.658 1.00 0.00 C ATOM 486 O CYS A 675 1.881 -14.035 7.427 1.00 0.00 O ATOM 487 CB CYS A 675 1.993 -12.631 4.338 1.00 0.00 C ATOM 488 SG CYS A 675 2.068 -13.051 2.581 1.00 0.00 S ATOM 0 H CYS A 675 -0.460 -12.810 4.113 1.00 0.00 H new ATOM 0 HA CYS A 675 1.532 -14.617 5.016 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.576 -11.629 4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 675 3.007 -12.598 4.736 1.00 0.00 H new ATOM 0 HG CYS A 675 2.195 -11.964 1.880 1.00 0.00 H new ATOM 494 N GLY A 676 0.778 -12.111 7.050 1.00 0.00 N ATOM 495 CA GLY A 676 0.859 -11.692 8.437 1.00 0.00 C ATOM 496 C GLY A 676 -0.265 -10.752 8.825 1.00 0.00 C ATOM 497 O GLY A 676 -1.216 -10.563 8.066 1.00 0.00 O ATOM 0 H GLY A 676 0.296 -11.458 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.832 -12.571 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.816 -11.200 8.609 1.00 0.00 H new ATOM 501 N HIS A 677 -0.158 -10.163 10.012 1.00 0.00 N ATOM 502 CA HIS A 677 -1.176 -9.238 10.500 1.00 0.00 C ATOM 503 C HIS A 677 -0.954 -7.838 9.935 1.00 0.00 C ATOM 504 O HIS A 677 -0.198 -7.044 10.494 1.00 0.00 O ATOM 505 CB HIS A 677 -1.161 -9.192 12.028 1.00 0.00 C ATOM 506 CG HIS A 677 -2.216 -8.302 12.611 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.679 -7.096 12.208 1.00 0.00 N flip ATOM 508 CD2 HIS A 677 -2.927 -8.623 13.748 1.00 0.00 C flip ATOM 509 CE1 HIS A 677 -3.652 -6.714 13.098 1.00 0.00 C flip ATOM 510 NE2 HIS A 677 -3.783 -7.654 14.018 1.00 0.00 N flip ATOM 0 H HIS A 677 0.622 -10.309 10.653 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.149 -9.596 10.164 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.295 -10.202 12.415 1.00 0.00 H new ATOM 0 HB3 HIS A 677 -0.182 -8.849 12.363 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -2.803 -9.526 14.327 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.218 -5.795 13.054 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -4.434 -7.634 14.803 1.00 0.00 H new ATOM 519 N VAL A 678 -1.618 -7.543 8.822 1.00 0.00 N ATOM 520 CA VAL A 678 -1.494 -6.240 8.181 1.00 0.00 C ATOM 521 C VAL A 678 -2.160 -5.151 9.015 1.00 0.00 C ATOM 522 O VAL A 678 -3.221 -5.366 9.602 1.00 0.00 O ATOM 523 CB VAL A 678 -2.117 -6.245 6.772 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.090 -4.848 6.171 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.391 -7.235 5.873 1.00 0.00 C ATOM 0 H VAL A 678 -2.247 -8.189 8.346 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.428 -6.029 8.098 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.158 -6.559 6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.534 -4.871 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.658 -4.168 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.059 -4.502 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -1.844 -7.226 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.341 -6.953 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.468 -8.236 6.298 1.00 0.00 H new ATOM 535 N LEU A 679 -1.531 -3.982 9.062 1.00 0.00 N ATOM 536 CA LEU A 679 -2.064 -2.858 9.824 1.00 0.00 C ATOM 537 C LEU A 679 -2.443 -1.705 8.900 1.00 0.00 C ATOM 538 O LEU A 679 -3.601 -1.287 8.856 1.00 0.00 O ATOM 539 CB LEU A 679 -1.038 -2.384 10.855 1.00 0.00 C ATOM 540 CG LEU A 679 -0.417 -3.471 11.733 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.885 -2.981 12.348 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.393 -3.901 12.819 1.00 0.00 C ATOM 0 H LEU A 679 -0.652 -3.788 8.582 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.962 -3.195 10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.235 -1.868 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.517 -1.651 11.504 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.197 -4.336 11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.313 -3.768 12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.587 -2.723 11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.689 -2.101 12.960 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.935 -4.675 13.434 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.644 -3.043 13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.300 -4.293 12.359 1.00 0.00 H new ATOM 554 N TYR A 680 -1.462 -1.196 8.163 1.00 0.00 N ATOM 555 CA TYR A 680 -1.693 -0.091 7.240 1.00 0.00 C ATOM 556 C TYR A 680 -1.873 -0.602 5.814 1.00 0.00 C ATOM 557 O TYR A 680 -1.026 -1.325 5.290 1.00 0.00 O ATOM 558 CB TYR A 680 -0.529 0.900 7.297 1.00 0.00 C ATOM 559 CG TYR A 680 -0.584 1.960 6.220 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.780 2.589 5.898 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.561 2.332 5.526 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.834 3.558 4.914 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.516 3.301 4.542 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.684 3.910 4.239 1.00 0.00 C ATOM 565 OH TYR A 680 -0.734 4.876 3.260 1.00 0.00 O ATOM 0 H TYR A 680 -0.499 -1.531 8.187 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.609 0.417 7.542 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.523 1.385 8.273 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.409 0.352 7.208 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.682 2.316 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.502 1.856 5.760 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.772 4.037 4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.415 3.580 4.013 1.00 0.00 H new ATOM 0 HH TYR A 680 -0.031 5.540 3.420 1.00 0.00 H new ATOM 575 N ALA A 681 -2.982 -0.218 5.191 1.00 0.00 N ATOM 576 CA ALA A 681 -3.274 -0.634 3.825 1.00 0.00 C ATOM 577 C ALA A 681 -4.195 0.364 3.132 1.00 0.00 C ATOM 578 O ALA A 681 -5.308 0.620 3.593 1.00 0.00 O ATOM 579 CB ALA A 681 -3.895 -2.023 3.816 1.00 0.00 C ATOM 0 H ALA A 681 -3.693 0.381 5.611 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.334 -0.665 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.107 -2.320 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.201 -2.735 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.822 -2.011 4.389 1.00 0.00 H new ATOM 585 N ASP A 682 -3.725 0.926 2.023 1.00 0.00 N ATOM 586 CA ASP A 682 -4.508 1.896 1.267 1.00 0.00 C ATOM 587 C ASP A 682 -4.131 1.864 -0.211 1.00 0.00 C ATOM 588 O ASP A 682 -3.040 1.423 -0.574 1.00 0.00 O ATOM 589 CB ASP A 682 -4.298 3.303 1.829 1.00 0.00 C ATOM 590 CG ASP A 682 -5.488 4.209 1.583 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.619 3.689 1.488 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.288 5.438 1.485 1.00 0.00 O ATOM 0 H ASP A 682 -2.806 0.726 1.628 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.561 1.629 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.110 3.238 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.410 3.743 1.375 1.00 0.00 H new ATOM 597 N ILE A 683 -5.040 2.334 -1.059 1.00 0.00 N ATOM 598 CA ILE A 683 -4.803 2.359 -2.497 1.00 0.00 C ATOM 599 C ILE A 683 -4.485 3.771 -2.977 1.00 0.00 C ATOM 600 O ILE A 683 -5.377 4.611 -3.101 1.00 0.00 O ATOM 601 CB ILE A 683 -6.018 1.824 -3.277 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.338 0.391 -2.846 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.754 1.886 -4.774 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.207 -0.582 -3.095 1.00 0.00 C ATOM 0 H ILE A 683 -5.948 2.703 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.947 1.712 -2.687 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.881 2.452 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.584 0.386 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.225 0.049 -3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.622 1.505 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.570 2.919 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.882 1.279 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.504 -1.578 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -4.976 -0.606 -4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.325 -0.264 -2.539 1.00 0.00 H new ATOM 616 N LYS A 684 -3.210 4.025 -3.247 1.00 0.00 N ATOM 617 CA LYS A 684 -2.773 5.335 -3.717 1.00 0.00 C ATOM 618 C LYS A 684 -3.418 5.675 -5.057 1.00 0.00 C ATOM 619 O LYS A 684 -3.499 4.831 -5.949 1.00 0.00 O ATOM 620 CB LYS A 684 -1.249 5.370 -3.850 1.00 0.00 C ATOM 621 CG LYS A 684 -0.518 5.027 -2.563 1.00 0.00 C ATOM 622 CD LYS A 684 -0.697 6.112 -1.514 1.00 0.00 C ATOM 623 CE LYS A 684 0.157 5.845 -0.285 1.00 0.00 C ATOM 624 NZ LYS A 684 -0.469 4.841 0.619 1.00 0.00 N ATOM 0 H LYS A 684 -2.460 3.341 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 684 -3.085 6.079 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -0.944 4.670 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.944 6.364 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.889 4.079 -2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.543 4.892 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 684 -0.431 7.079 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.746 6.170 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 684 1.140 5.491 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.312 6.777 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 -0.497 5.217 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 -1.437 4.640 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 0.090 3.964 0.604 1.00 0.00 H new ATOM 724 N LYS A 691 -4.012 3.977 -9.485 1.00 0.00 N ATOM 725 CA LYS A 691 -2.775 3.686 -10.199 1.00 0.00 C ATOM 726 C LYS A 691 -2.316 2.256 -9.933 1.00 0.00 C ATOM 727 O LYS A 691 -1.124 1.956 -9.988 1.00 0.00 O ATOM 728 CB LYS A 691 -1.679 4.671 -9.783 1.00 0.00 C ATOM 729 CG LYS A 691 -2.116 6.124 -9.833 1.00 0.00 C ATOM 730 CD LYS A 691 -2.086 6.667 -11.252 1.00 0.00 C ATOM 731 CE LYS A 691 -3.443 6.538 -11.927 1.00 0.00 C ATOM 732 NZ LYS A 691 -3.412 7.028 -13.333 1.00 0.00 N ATOM 0 HA LYS A 691 -2.967 3.794 -11.267 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.354 4.433 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.816 4.537 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.124 6.216 -9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.462 6.723 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -1.785 7.714 -11.236 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -1.337 6.129 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -3.758 5.495 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -4.185 7.102 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -4.355 6.923 -13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -3.136 8.031 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -2.723 6.473 -13.879 1.00 0.00 H new ATOM 746 N GLY A 692 -3.270 1.377 -9.645 1.00 0.00 N ATOM 747 CA GLY A 692 -2.944 -0.011 -9.376 1.00 0.00 C ATOM 748 C GLY A 692 -1.699 -0.159 -8.524 1.00 0.00 C ATOM 749 O GLY A 692 -0.969 -1.144 -8.645 1.00 0.00 O ATOM 0 H GLY A 692 -4.264 1.601 -9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.785 -0.487 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.799 -0.537 -10.320 1.00 0.00 H new ATOM 753 N CYS A 693 -1.456 0.820 -7.660 1.00 0.00 N ATOM 754 CA CYS A 693 -0.289 0.796 -6.785 1.00 0.00 C ATOM 755 C CYS A 693 -0.659 1.240 -5.374 1.00 0.00 C ATOM 756 O CYS A 693 -1.264 2.293 -5.182 1.00 0.00 O ATOM 757 CB CYS A 693 0.812 1.697 -7.344 1.00 0.00 C ATOM 758 SG CYS A 693 0.459 3.465 -7.208 1.00 0.00 S ATOM 0 H CYS A 693 -2.051 1.640 -7.546 1.00 0.00 H new ATOM 0 HA CYS A 693 0.079 -0.229 -6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.743 1.482 -6.820 1.00 0.00 H new ATOM 0 HB3 CYS A 693 0.972 1.449 -8.393 1.00 0.00 H new ATOM 0 HG CYS A 693 -0.518 3.649 -6.370 1.00 0.00 H new ATOM 764 N GLY A 694 -0.291 0.427 -4.388 1.00 0.00 N ATOM 765 CA GLY A 694 -0.593 0.752 -3.006 1.00 0.00 C ATOM 766 C GLY A 694 0.539 0.392 -2.064 1.00 0.00 C ATOM 767 O GLY A 694 1.707 0.404 -2.453 1.00 0.00 O ATOM 0 H GLY A 694 0.211 -0.451 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -0.804 1.818 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.497 0.224 -2.701 1.00 0.00 H new ATOM 771 N VAL A 695 0.193 0.073 -0.821 1.00 0.00 N ATOM 772 CA VAL A 695 1.189 -0.290 0.180 1.00 0.00 C ATOM 773 C VAL A 695 0.592 -1.208 1.241 1.00 0.00 C ATOM 774 O VAL A 695 -0.627 -1.290 1.391 1.00 0.00 O ATOM 775 CB VAL A 695 1.776 0.957 0.867 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.583 1.782 -0.124 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.669 1.792 1.491 1.00 0.00 C ATOM 0 H VAL A 695 -0.769 0.059 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 695 1.987 -0.816 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 695 2.446 0.631 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 695 2.990 2.659 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.400 1.179 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 695 1.938 2.100 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.102 2.669 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -0.028 2.110 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.138 1.196 2.233 1.00 0.00 H new ATOM 787 N VAL A 696 1.460 -1.896 1.977 1.00 0.00 N ATOM 788 CA VAL A 696 1.019 -2.807 3.026 1.00 0.00 C ATOM 789 C VAL A 696 2.037 -2.875 4.158 1.00 0.00 C ATOM 790 O VAL A 696 3.162 -3.338 3.970 1.00 0.00 O ATOM 791 CB VAL A 696 0.785 -4.226 2.475 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.348 -5.166 3.589 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.244 -4.199 1.355 1.00 0.00 C ATOM 0 H VAL A 696 2.472 -1.839 1.866 1.00 0.00 H new ATOM 0 HA VAL A 696 0.078 -2.415 3.411 1.00 0.00 H new ATOM 0 HB VAL A 696 1.724 -4.598 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.187 -6.164 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.123 -5.207 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.579 -4.801 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.397 -5.210 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.187 -3.807 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.114 -3.560 0.547 1.00 0.00 H new ATOM 803 N LYS A 697 1.636 -2.409 5.337 1.00 0.00 N ATOM 804 CA LYS A 697 2.512 -2.418 6.502 1.00 0.00 C ATOM 805 C LYS A 697 2.174 -3.582 7.428 1.00 0.00 C ATOM 806 O LYS A 697 1.011 -3.962 7.565 1.00 0.00 O ATOM 807 CB LYS A 697 2.395 -1.096 7.264 1.00 0.00 C ATOM 808 CG LYS A 697 3.639 -0.740 8.059 1.00 0.00 C ATOM 809 CD LYS A 697 3.317 0.209 9.202 1.00 0.00 C ATOM 810 CE LYS A 697 2.676 -0.523 10.371 1.00 0.00 C ATOM 811 NZ LYS A 697 1.837 0.385 11.201 1.00 0.00 N ATOM 0 H LYS A 697 0.709 -2.020 5.510 1.00 0.00 H new ATOM 0 HA LYS A 697 3.537 -2.540 6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.186 -0.295 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.544 -1.152 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.091 -1.649 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.375 -0.280 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 697 4.231 0.701 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.645 0.991 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 697 2.062 -1.341 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 697 3.454 -0.967 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 1.418 -0.152 11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 2.427 1.152 11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 1.079 0.790 10.615 1.00 0.00 H new ATOM 825 N PHE A 698 3.197 -4.144 8.063 1.00 0.00 N ATOM 826 CA PHE A 698 3.009 -5.264 8.977 1.00 0.00 C ATOM 827 C PHE A 698 3.515 -4.918 10.374 1.00 0.00 C ATOM 828 O PHE A 698 4.221 -3.928 10.561 1.00 0.00 O ATOM 829 CB PHE A 698 3.734 -6.505 8.452 1.00 0.00 C ATOM 830 CG PHE A 698 3.183 -7.016 7.152 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.626 -6.498 5.945 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.223 -8.015 7.136 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.122 -6.966 4.747 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.715 -8.487 5.940 1.00 0.00 C ATOM 835 CZ PHE A 698 2.164 -7.962 4.744 1.00 0.00 C ATOM 0 H PHE A 698 4.166 -3.842 7.961 1.00 0.00 H new ATOM 0 HA PHE A 698 1.941 -5.474 9.039 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.791 -6.271 8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.672 -7.296 9.200 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.374 -5.719 5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.868 -8.429 8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.476 -6.554 3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 698 0.967 -9.266 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.767 -8.329 3.809 1.00 0.00 H new ATOM 845 N GLU A 699 3.146 -5.741 11.351 1.00 0.00 N ATOM 846 CA GLU A 699 3.562 -5.521 12.731 1.00 0.00 C ATOM 847 C GLU A 699 5.058 -5.771 12.896 1.00 0.00 C ATOM 848 O GLU A 699 5.750 -5.027 13.591 1.00 0.00 O ATOM 849 CB GLU A 699 2.775 -6.432 13.676 1.00 0.00 C ATOM 850 CG GLU A 699 1.270 -6.242 13.591 1.00 0.00 C ATOM 851 CD GLU A 699 0.538 -6.846 14.773 1.00 0.00 C ATOM 852 OE1 GLU A 699 0.284 -8.069 14.751 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.219 -6.098 15.720 1.00 0.00 O ATOM 0 H GLU A 699 2.561 -6.565 11.212 1.00 0.00 H new ATOM 0 HA GLU A 699 3.355 -4.481 12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.015 -7.471 13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.099 -6.246 14.700 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.045 -5.177 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 699 0.902 -6.695 12.670 1.00 0.00 H new ATOM 860 N SER A 700 5.551 -6.823 12.250 1.00 0.00 N ATOM 861 CA SER A 700 6.964 -7.175 12.328 1.00 0.00 C ATOM 862 C SER A 700 7.626 -7.066 10.958 1.00 0.00 C ATOM 863 O SER A 700 6.992 -7.241 9.917 1.00 0.00 O ATOM 864 CB SER A 700 7.129 -8.594 12.876 1.00 0.00 C ATOM 865 OG SER A 700 6.962 -8.619 14.283 1.00 0.00 O ATOM 0 H SER A 700 4.993 -7.446 11.667 1.00 0.00 H new ATOM 0 HA SER A 700 7.451 -6.474 13.005 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.400 -9.255 12.408 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.117 -8.975 12.617 1.00 0.00 H new ATOM 0 HG SER A 700 7.070 -9.537 14.609 1.00 0.00 H new ATOM 871 N PRO A 701 8.935 -6.772 10.956 1.00 0.00 N ATOM 872 CA PRO A 701 9.714 -6.634 9.722 1.00 0.00 C ATOM 873 C PRO A 701 9.913 -7.967 9.010 1.00 0.00 C ATOM 874 O PRO A 701 9.759 -8.060 7.792 1.00 0.00 O ATOM 875 CB PRO A 701 11.056 -6.081 10.209 1.00 0.00 C ATOM 876 CG PRO A 701 11.161 -6.535 11.624 1.00 0.00 C ATOM 877 CD PRO A 701 9.755 -6.551 12.159 1.00 0.00 C ATOM 0 HA PRO A 701 9.214 -5.995 8.994 1.00 0.00 H new ATOM 0 HB2 PRO A 701 11.882 -6.462 9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.085 -4.994 10.139 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.613 -7.525 11.684 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.792 -5.862 12.204 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.613 -7.344 12.893 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.502 -5.612 12.651 1.00 0.00 H new ATOM 885 N GLU A 702 10.256 -8.997 9.777 1.00 0.00 N ATOM 886 CA GLU A 702 10.476 -10.326 9.218 1.00 0.00 C ATOM 887 C GLU A 702 9.301 -10.749 8.342 1.00 0.00 C ATOM 888 O GLU A 702 9.476 -11.449 7.344 1.00 0.00 O ATOM 889 CB GLU A 702 10.684 -11.347 10.339 1.00 0.00 C ATOM 890 CG GLU A 702 9.510 -11.447 11.297 1.00 0.00 C ATOM 891 CD GLU A 702 9.773 -12.403 12.444 1.00 0.00 C ATOM 892 OE1 GLU A 702 10.431 -11.991 13.422 1.00 0.00 O ATOM 893 OE2 GLU A 702 9.319 -13.564 12.363 1.00 0.00 O ATOM 0 H GLU A 702 10.388 -8.937 10.787 1.00 0.00 H new ATOM 0 HA GLU A 702 11.373 -10.288 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 702 10.866 -12.327 9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.579 -11.080 10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.287 -10.458 11.697 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.626 -11.776 10.750 1.00 0.00 H new ATOM 900 N VAL A 703 8.102 -10.320 8.722 1.00 0.00 N ATOM 901 CA VAL A 703 6.897 -10.653 7.971 1.00 0.00 C ATOM 902 C VAL A 703 6.947 -10.069 6.564 1.00 0.00 C ATOM 903 O VAL A 703 6.874 -10.798 5.575 1.00 0.00 O ATOM 904 CB VAL A 703 5.632 -10.139 8.684 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.416 -10.278 7.780 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.420 -10.882 9.995 1.00 0.00 C ATOM 0 H VAL A 703 7.939 -9.741 9.546 1.00 0.00 H new ATOM 0 HA VAL A 703 6.853 -11.740 7.908 1.00 0.00 H new ATOM 0 HB VAL A 703 5.768 -9.081 8.910 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.532 -9.910 8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.570 -9.697 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.274 -11.327 7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.522 -10.506 10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.305 -11.947 9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.281 -10.726 10.645 1.00 0.00 H new ATOM 916 N ALA A 704 7.072 -8.748 6.481 1.00 0.00 N ATOM 917 CA ALA A 704 7.135 -8.066 5.195 1.00 0.00 C ATOM 918 C ALA A 704 8.058 -8.800 4.228 1.00 0.00 C ATOM 919 O ALA A 704 7.638 -9.211 3.147 1.00 0.00 O ATOM 920 CB ALA A 704 7.598 -6.629 5.382 1.00 0.00 C ATOM 0 H ALA A 704 7.132 -8.129 7.290 1.00 0.00 H new ATOM 0 HA ALA A 704 6.133 -8.060 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.640 -6.131 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.897 -6.102 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.588 -6.622 5.837 1.00 0.00 H new ATOM 926 N GLU A 705 9.316 -8.960 4.626 1.00 0.00 N ATOM 927 CA GLU A 705 10.298 -9.644 3.792 1.00 0.00 C ATOM 928 C GLU A 705 9.727 -10.943 3.232 1.00 0.00 C ATOM 929 O GLU A 705 10.066 -11.356 2.123 1.00 0.00 O ATOM 930 CB GLU A 705 11.567 -9.937 4.596 1.00 0.00 C ATOM 931 CG GLU A 705 12.487 -8.737 4.740 1.00 0.00 C ATOM 932 CD GLU A 705 13.930 -9.134 4.986 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.321 -10.241 4.560 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.668 -8.339 5.605 1.00 0.00 O ATOM 0 H GLU A 705 9.679 -8.626 5.519 1.00 0.00 H new ATOM 0 HA GLU A 705 10.548 -8.988 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.285 -10.289 5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.114 -10.747 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.430 -8.130 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.140 -8.115 5.565 1.00 0.00 H new ATOM 941 N ARG A 706 8.857 -11.583 4.008 1.00 0.00 N ATOM 942 CA ARG A 706 8.240 -12.836 3.591 1.00 0.00 C ATOM 943 C ARG A 706 7.043 -12.575 2.680 1.00 0.00 C ATOM 944 O ARG A 706 6.833 -13.285 1.697 1.00 0.00 O ATOM 945 CB ARG A 706 7.798 -13.643 4.813 1.00 0.00 C ATOM 946 CG ARG A 706 7.404 -15.074 4.487 1.00 0.00 C ATOM 947 CD ARG A 706 6.441 -15.636 5.522 1.00 0.00 C ATOM 948 NE ARG A 706 7.136 -16.118 6.712 1.00 0.00 N ATOM 949 CZ ARG A 706 6.514 -16.589 7.787 1.00 0.00 C ATOM 950 NH1 ARG A 706 5.189 -16.641 7.820 1.00 0.00 N ATOM 951 NH2 ARG A 706 7.216 -17.010 8.831 1.00 0.00 N ATOM 0 H ARG A 706 8.564 -11.254 4.928 1.00 0.00 H new ATOM 0 HA ARG A 706 8.981 -13.410 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.608 -13.655 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.953 -13.141 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.941 -15.110 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.297 -15.697 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 706 5.726 -14.865 5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.870 -16.453 5.080 1.00 0.00 H new ATOM 0 HE ARG A 706 8.156 -16.092 6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 706 4.646 -16.319 7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 706 4.713 -17.003 8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 706 8.235 -16.972 8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 706 6.737 -17.371 9.656 1.00 0.00 H new ATOM 965 N ALA A 707 6.262 -11.554 3.015 1.00 0.00 N ATOM 966 CA ALA A 707 5.089 -11.199 2.227 1.00 0.00 C ATOM 967 C ALA A 707 5.488 -10.677 0.851 1.00 0.00 C ATOM 968 O ALA A 707 5.075 -11.221 -0.173 1.00 0.00 O ATOM 969 CB ALA A 707 4.252 -10.163 2.964 1.00 0.00 C ATOM 0 H ALA A 707 6.421 -10.958 3.827 1.00 0.00 H new ATOM 0 HA ALA A 707 4.492 -12.100 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.379 -9.907 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.927 -10.571 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.850 -9.268 3.136 1.00 0.00 H new ATOM 975 N CYS A 708 6.293 -9.620 0.835 1.00 0.00 N ATOM 976 CA CYS A 708 6.747 -9.024 -0.416 1.00 0.00 C ATOM 977 C CYS A 708 7.044 -10.101 -1.455 1.00 0.00 C ATOM 978 O CYS A 708 6.711 -9.952 -2.631 1.00 0.00 O ATOM 979 CB CYS A 708 7.994 -8.172 -0.176 1.00 0.00 C ATOM 980 SG CYS A 708 9.468 -9.125 0.256 1.00 0.00 S ATOM 0 H CYS A 708 6.644 -9.159 1.674 1.00 0.00 H new ATOM 0 HA CYS A 708 5.949 -8.387 -0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.201 -7.590 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 708 7.787 -7.461 0.624 1.00 0.00 H new ATOM 0 HG CYS A 708 9.125 -10.151 0.977 1.00 0.00 H new ATOM 986 N ARG A 709 7.675 -11.184 -1.013 1.00 0.00 N ATOM 987 CA ARG A 709 8.020 -12.284 -1.905 1.00 0.00 C ATOM 988 C ARG A 709 6.835 -13.228 -2.088 1.00 0.00 C ATOM 989 O ARG A 709 6.531 -13.649 -3.204 1.00 0.00 O ATOM 990 CB ARG A 709 9.221 -13.057 -1.356 1.00 0.00 C ATOM 991 CG ARG A 709 10.559 -12.542 -1.861 1.00 0.00 C ATOM 992 CD ARG A 709 11.656 -12.733 -0.826 1.00 0.00 C ATOM 993 NE ARG A 709 12.986 -12.726 -1.430 1.00 0.00 N ATOM 994 CZ ARG A 709 14.080 -13.140 -0.802 1.00 0.00 C ATOM 995 NH1 ARG A 709 14.004 -13.592 0.442 1.00 0.00 N ATOM 996 NH2 ARG A 709 15.255 -13.102 -1.419 1.00 0.00 N ATOM 0 H ARG A 709 7.958 -11.323 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 709 8.281 -11.863 -2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.209 -13.005 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.120 -14.108 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 709 10.828 -13.065 -2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.472 -11.484 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 709 11.592 -11.941 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.500 -13.677 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 709 13.079 -12.384 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 709 13.103 -13.622 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 709 14.846 -13.909 0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 709 15.318 -12.755 -2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 709 16.095 -13.420 -0.936 1.00 0.00 H new ATOM 1010 N MET A 710 6.170 -13.556 -0.985 1.00 0.00 N ATOM 1011 CA MET A 710 5.018 -14.449 -1.024 1.00 0.00 C ATOM 1012 C MET A 710 3.940 -13.905 -1.956 1.00 0.00 C ATOM 1013 O MET A 710 3.003 -14.616 -2.317 1.00 0.00 O ATOM 1014 CB MET A 710 4.446 -14.640 0.382 1.00 0.00 C ATOM 1015 CG MET A 710 5.095 -15.777 1.153 1.00 0.00 C ATOM 1016 SD MET A 710 4.391 -15.990 2.800 1.00 0.00 S ATOM 1017 CE MET A 710 2.768 -16.630 2.394 1.00 0.00 C ATOM 0 H MET A 710 6.409 -13.217 -0.053 1.00 0.00 H new ATOM 0 HA MET A 710 5.350 -15.414 -1.407 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.569 -13.714 0.944 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.375 -14.828 0.307 1.00 0.00 H new ATOM 0 HG2 MET A 710 4.981 -16.704 0.591 1.00 0.00 H new ATOM 0 HG3 MET A 710 6.165 -15.587 1.241 1.00 0.00 H new ATOM 0 HE1 MET A 710 2.004 -15.966 2.797 1.00 0.00 H new ATOM 0 HE2 MET A 710 2.661 -16.690 1.311 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.650 -17.624 2.826 1.00 0.00 H new ATOM 1027 N MET A 711 4.080 -12.641 -2.340 1.00 0.00 N ATOM 1028 CA MET A 711 3.117 -12.003 -3.231 1.00 0.00 C ATOM 1029 C MET A 711 3.786 -11.564 -4.530 1.00 0.00 C ATOM 1030 O MET A 711 3.148 -11.512 -5.580 1.00 0.00 O ATOM 1031 CB MET A 711 2.474 -10.798 -2.543 1.00 0.00 C ATOM 1032 CG MET A 711 1.720 -11.154 -1.271 1.00 0.00 C ATOM 1033 SD MET A 711 0.553 -12.507 -1.513 1.00 0.00 S ATOM 1034 CE MET A 711 -0.991 -11.700 -1.096 1.00 0.00 C ATOM 0 H MET A 711 4.850 -12.038 -2.049 1.00 0.00 H new ATOM 0 HA MET A 711 2.343 -12.732 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.249 -10.070 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.788 -10.316 -3.239 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.434 -11.429 -0.495 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.183 -10.275 -0.913 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.808 -12.177 -1.637 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.167 -11.784 -0.024 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.938 -10.647 -1.374 1.00 0.00 H new ATOM 1044 N ASN A 712 5.075 -11.250 -4.450 1.00 0.00 N ATOM 1045 CA ASN A 712 5.829 -10.815 -5.620 1.00 0.00 C ATOM 1046 C ASN A 712 5.421 -11.609 -6.857 1.00 0.00 C ATOM 1047 O ASN A 712 5.790 -12.773 -7.009 1.00 0.00 O ATOM 1048 CB ASN A 712 7.331 -10.972 -5.371 1.00 0.00 C ATOM 1049 CG ASN A 712 8.154 -10.696 -6.614 1.00 0.00 C ATOM 1050 OD1 ASN A 712 8.826 -9.669 -6.712 1.00 0.00 O ATOM 1051 ND2 ASN A 712 8.106 -11.615 -7.571 1.00 0.00 N ATOM 0 H ASN A 712 5.619 -11.289 -3.588 1.00 0.00 H new ATOM 0 HA ASN A 712 5.604 -9.763 -5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.638 -10.292 -4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.535 -11.984 -5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 712 8.640 -11.485 -8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 712 7.535 -12.451 -7.447 1.00 0.00 H new ATOM 1058 N GLY A 713 4.658 -10.971 -7.738 1.00 0.00 N ATOM 1059 CA GLY A 713 4.212 -11.633 -8.951 1.00 0.00 C ATOM 1060 C GLY A 713 2.898 -12.364 -8.763 1.00 0.00 C ATOM 1061 O GLY A 713 2.619 -13.340 -9.458 1.00 0.00 O ATOM 0 H GLY A 713 4.340 -10.007 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.103 -10.894 -9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 713 4.975 -12.341 -9.276 1.00 0.00 H new ATOM 1065 N MET A 714 2.090 -11.893 -7.819 1.00 0.00 N ATOM 1066 CA MET A 714 0.798 -12.510 -7.542 1.00 0.00 C ATOM 1067 C MET A 714 -0.199 -12.209 -8.657 1.00 0.00 C ATOM 1068 O MET A 714 -0.815 -11.143 -8.682 1.00 0.00 O ATOM 1069 CB MET A 714 0.249 -12.013 -6.203 1.00 0.00 C ATOM 1070 CG MET A 714 -1.117 -12.584 -5.857 1.00 0.00 C ATOM 1071 SD MET A 714 -1.567 -12.314 -4.132 1.00 0.00 S ATOM 1072 CE MET A 714 -1.557 -10.524 -4.056 1.00 0.00 C ATOM 0 H MET A 714 2.307 -11.087 -7.233 1.00 0.00 H new ATOM 0 HA MET A 714 0.942 -13.589 -7.490 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.953 -12.272 -5.412 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.183 -10.925 -6.228 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.870 -12.129 -6.500 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.123 -13.654 -6.067 1.00 0.00 H new ATOM 0 HE1 MET A 714 -2.199 -10.191 -3.240 1.00 0.00 H new ATOM 0 HE2 MET A 714 -0.540 -10.173 -3.884 1.00 0.00 H new ATOM 0 HE3 MET A 714 -1.927 -10.118 -4.997 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.353 -13.154 -9.578 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.275 -12.991 -10.695 1.00 0.00 C ATOM 1084 C LYS A 715 -2.674 -12.641 -10.199 1.00 0.00 C ATOM 1085 O LYS A 715 -3.431 -13.516 -9.775 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.325 -14.271 -11.533 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.332 -14.285 -12.682 1.00 0.00 C ATOM 1088 CD LYS A 715 -0.935 -13.694 -13.946 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.037 -13.925 -15.152 1.00 0.00 C ATOM 1090 NZ LYS A 715 -0.352 -15.207 -15.840 1.00 0.00 N ATOM 0 H LYS A 715 0.150 -14.042 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.913 -12.171 -11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.131 -15.127 -10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.332 -14.395 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.557 -13.720 -12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.011 -15.309 -12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -1.912 -14.141 -14.128 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -1.094 -12.624 -13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 715 -0.151 -13.099 -15.854 1.00 0.00 H new ATOM 0 HE3 LYS A 715 1.005 -13.930 -14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 0.281 -15.328 -16.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -0.219 -15.998 -15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -1.339 -15.192 -16.167 1.00 0.00 H new ATOM 1104 N LEU A 716 -3.013 -11.358 -10.255 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.323 -10.892 -9.813 1.00 0.00 C ATOM 1106 C LEU A 716 -5.254 -10.678 -11.002 1.00 0.00 C ATOM 1107 O LEU A 716 -4.895 -10.013 -11.973 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.182 -9.592 -9.020 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.752 -9.739 -7.560 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.241 -8.414 -7.017 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.906 -10.255 -6.713 1.00 0.00 C ATOM 0 H LEU A 716 -2.399 -10.621 -10.602 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.756 -11.658 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.457 -8.956 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.138 -9.069 -9.045 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.940 -10.465 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.940 -8.539 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.385 -8.085 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.032 -7.666 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.581 -10.353 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.739 -9.554 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -5.225 -11.228 -7.087 1.00 0.00 H new ATOM 1123 N SER A 717 -6.454 -11.244 -10.916 1.00 0.00 N ATOM 1124 CA SER A 717 -7.437 -11.117 -11.986 1.00 0.00 C ATOM 1125 C SER A 717 -6.757 -11.106 -13.351 1.00 0.00 C ATOM 1126 O SER A 717 -7.173 -10.388 -14.259 1.00 0.00 O ATOM 1127 CB SER A 717 -8.258 -9.839 -11.802 1.00 0.00 C ATOM 1128 OG SER A 717 -9.396 -9.839 -12.647 1.00 0.00 O ATOM 0 H SER A 717 -6.769 -11.795 -10.117 1.00 0.00 H new ATOM 0 HA SER A 717 -8.103 -11.979 -11.939 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.573 -9.752 -10.762 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.638 -8.970 -12.021 1.00 0.00 H new ATOM 0 HG SER A 717 -9.119 -10.027 -13.568 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.705 -11.909 -13.488 1.00 0.00 N ATOM 1135 CA GLY A 718 -4.983 -11.977 -14.744 1.00 0.00 C ATOM 1136 C GLY A 718 -4.018 -10.822 -14.922 1.00 0.00 C ATOM 1137 O GLY A 718 -3.870 -10.292 -16.024 1.00 0.00 O ATOM 0 H GLY A 718 -5.341 -12.513 -12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.433 -12.917 -14.793 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.695 -11.982 -15.569 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.362 -10.428 -13.836 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.409 -9.325 -13.877 1.00 0.00 C ATOM 1143 C ARG A 719 -1.289 -9.537 -12.862 1.00 0.00 C ATOM 1144 O ARG A 719 -1.522 -9.519 -11.654 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.119 -7.999 -13.599 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.230 -7.684 -14.587 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.211 -6.672 -14.018 1.00 0.00 C ATOM 1148 NE ARG A 719 -4.819 -5.298 -14.324 1.00 0.00 N ATOM 1149 CZ ARG A 719 -5.031 -4.718 -15.500 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -5.627 -5.389 -16.476 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -4.645 -3.465 -15.702 1.00 0.00 N ATOM 0 H ARG A 719 -3.473 -10.856 -12.917 1.00 0.00 H new ATOM 0 HA ARG A 719 -1.971 -9.293 -14.875 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.536 -8.024 -12.592 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.386 -7.193 -13.620 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -3.799 -7.295 -15.509 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.760 -8.601 -14.845 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -6.205 -6.864 -14.422 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -5.276 -6.798 -12.937 1.00 0.00 H new ATOM 0 HE ARG A 719 -4.357 -4.755 -13.595 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -5.924 -6.353 -16.325 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -5.789 -4.941 -17.378 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -4.185 -2.946 -14.954 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -4.808 -3.020 -16.605 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.074 -9.738 -13.363 1.00 0.00 N ATOM 1166 CA GLU A 720 1.081 -9.955 -12.500 1.00 0.00 C ATOM 1167 C GLU A 720 1.458 -8.673 -11.763 1.00 0.00 C ATOM 1168 O GLU A 720 1.726 -7.644 -12.384 1.00 0.00 O ATOM 1169 CB GLU A 720 2.273 -10.453 -13.320 1.00 0.00 C ATOM 1170 CG GLU A 720 2.343 -11.967 -13.433 1.00 0.00 C ATOM 1171 CD GLU A 720 3.298 -12.427 -14.518 1.00 0.00 C ATOM 1172 OE1 GLU A 720 3.955 -11.563 -15.135 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.389 -13.651 -14.749 1.00 0.00 O ATOM 0 H GLU A 720 0.136 -9.755 -14.361 1.00 0.00 H new ATOM 0 HA GLU A 720 0.814 -10.713 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.220 -10.024 -14.321 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.194 -10.088 -12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.657 -12.385 -12.477 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.347 -12.359 -13.641 1.00 0.00 H new ATOM 1180 N ILE A 721 1.475 -8.743 -10.436 1.00 0.00 N ATOM 1181 CA ILE A 721 1.818 -7.589 -9.615 1.00 0.00 C ATOM 1182 C ILE A 721 3.272 -7.652 -9.159 1.00 0.00 C ATOM 1183 O ILE A 721 3.835 -8.735 -8.993 1.00 0.00 O ATOM 1184 CB ILE A 721 0.908 -7.487 -8.377 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.207 -8.628 -7.402 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.555 -7.510 -8.793 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.705 -8.370 -5.998 1.00 0.00 C ATOM 0 H ILE A 721 1.255 -9.587 -9.907 1.00 0.00 H new ATOM 0 HA ILE A 721 1.672 -6.706 -10.236 1.00 0.00 H new ATOM 0 HB ILE A 721 1.109 -6.541 -7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.754 -9.545 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.284 -8.795 -7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.186 -7.437 -7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.759 -6.668 -9.454 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.770 -8.442 -9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.952 -9.220 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 721 1.177 -7.471 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.376 -8.233 -6.018 1.00 0.00 H new ATOM 1199 N ASP A 722 3.874 -6.486 -8.956 1.00 0.00 N ATOM 1200 CA ASP A 722 5.262 -6.408 -8.516 1.00 0.00 C ATOM 1201 C ASP A 722 5.346 -5.976 -7.055 1.00 0.00 C ATOM 1202 O ASP A 722 5.239 -4.791 -6.740 1.00 0.00 O ATOM 1203 CB ASP A 722 6.045 -5.431 -9.395 1.00 0.00 C ATOM 1204 CG ASP A 722 6.569 -6.082 -10.659 1.00 0.00 C ATOM 1205 OD1 ASP A 722 5.780 -6.763 -11.347 1.00 0.00 O ATOM 1206 OD2 ASP A 722 7.769 -5.912 -10.961 1.00 0.00 O ATOM 0 H ASP A 722 3.423 -5.581 -9.089 1.00 0.00 H new ATOM 0 HA ASP A 722 5.702 -7.401 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.403 -4.592 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 722 6.881 -5.024 -8.826 1.00 0.00 H new ATOM 1211 N VAL A 723 5.536 -6.946 -6.166 1.00 0.00 N ATOM 1212 CA VAL A 723 5.634 -6.666 -4.739 1.00 0.00 C ATOM 1213 C VAL A 723 7.084 -6.708 -4.269 1.00 0.00 C ATOM 1214 O VAL A 723 7.810 -7.661 -4.548 1.00 0.00 O ATOM 1215 CB VAL A 723 4.809 -7.671 -3.912 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.628 -7.169 -2.488 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.462 -7.924 -4.573 1.00 0.00 C ATOM 0 H VAL A 723 5.625 -7.933 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 723 5.234 -5.664 -4.585 1.00 0.00 H new ATOM 0 HB VAL A 723 5.352 -8.615 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.043 -7.892 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.604 -7.043 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.107 -6.212 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 723 2.892 -8.636 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 723 2.910 -6.987 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.618 -8.331 -5.572 1.00 0.00 H new ATOM 1227 N ARG A 724 7.498 -5.667 -3.553 1.00 0.00 N ATOM 1228 CA ARG A 724 8.861 -5.584 -3.044 1.00 0.00 C ATOM 1229 C ARG A 724 8.940 -4.635 -1.852 1.00 0.00 C ATOM 1230 O ARG A 724 8.066 -3.789 -1.661 1.00 0.00 O ATOM 1231 CB ARG A 724 9.812 -5.115 -4.146 1.00 0.00 C ATOM 1232 CG ARG A 724 9.879 -6.060 -5.336 1.00 0.00 C ATOM 1233 CD ARG A 724 11.105 -5.789 -6.194 1.00 0.00 C ATOM 1234 NE ARG A 724 11.089 -4.443 -6.762 1.00 0.00 N ATOM 1235 CZ ARG A 724 12.101 -3.922 -7.445 1.00 0.00 C ATOM 1236 NH1 ARG A 724 13.204 -4.629 -7.645 1.00 0.00 N ATOM 1237 NH2 ARG A 724 12.011 -2.690 -7.931 1.00 0.00 N ATOM 0 H ARG A 724 6.909 -4.870 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 724 9.160 -6.579 -2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.497 -4.131 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.812 -5.000 -3.727 1.00 0.00 H new ATOM 0 HG2 ARG A 724 9.902 -7.091 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 724 8.979 -5.950 -5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 724 12.004 -5.918 -5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 724 11.153 -6.522 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 724 10.255 -3.872 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 724 13.277 -5.576 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 724 13.980 -4.226 -8.170 1.00 0.00 H new ATOM 0 HH21 ARG A 724 11.164 -2.143 -7.780 1.00 0.00 H new ATOM 0 HH22 ARG A 724 12.789 -2.291 -8.456 1.00 0.00 H new ATOM 1251 N ILE A 725 9.991 -4.783 -1.053 1.00 0.00 N ATOM 1252 CA ILE A 725 10.184 -3.938 0.120 1.00 0.00 C ATOM 1253 C ILE A 725 10.124 -2.461 -0.251 1.00 0.00 C ATOM 1254 O ILE A 725 10.697 -2.039 -1.256 1.00 0.00 O ATOM 1255 CB ILE A 725 11.530 -4.229 0.808 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.465 -5.558 1.564 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.899 -3.095 1.752 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.469 -5.558 2.702 1.00 0.00 C ATOM 0 H ILE A 725 10.722 -5.480 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 725 9.374 -4.169 0.812 1.00 0.00 H new ATOM 0 HB ILE A 725 12.303 -4.305 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.205 -6.352 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.454 -5.791 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.853 -3.316 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.982 -2.165 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 725 11.127 -2.990 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.477 -6.531 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.740 -4.786 3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.471 -5.356 2.312 1.00 0.00 H new ATOM 1270 N ASP A 726 9.429 -1.679 0.567 1.00 0.00 N ATOM 1271 CA ASP A 726 9.297 -0.246 0.327 1.00 0.00 C ATOM 1272 C ASP A 726 10.497 0.512 0.887 1.00 0.00 C ATOM 1273 O ASP A 726 10.491 0.937 2.042 1.00 0.00 O ATOM 1274 CB ASP A 726 8.006 0.281 0.956 1.00 0.00 C ATOM 1275 CG ASP A 726 7.601 1.631 0.400 1.00 0.00 C ATOM 1276 OD1 ASP A 726 7.217 1.693 -0.787 1.00 0.00 O ATOM 1277 OD2 ASP A 726 7.666 2.626 1.151 1.00 0.00 O ATOM 0 H ASP A 726 8.948 -2.013 1.402 1.00 0.00 H new ATOM 0 HA ASP A 726 9.259 -0.085 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.203 -0.435 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.137 0.360 2.035 1.00 0.00 H new