USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 840 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 5 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0937) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 65:sc= 0.753 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 18 GLN : amide:sc= 1.43 K(o=1.4,f=-5.5!) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc=-0.00641 (180deg=-0.156) USER MOD Single : A 31 SER OG : rot 81:sc= 1.21 USER MOD Single : A 34 GLN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.742 K(o=-0.74,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.0098 (180deg=-0.135) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.2) USER MOD Single : A 64 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.5!) USER MOD Single : A 67 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.17) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 81 LYS NZ :NH3+ 173:sc=-0.000888 (180deg=-0.0481) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= -0.0111 (180deg=-0.148) USER MOD Single : A 86 SER OG : rot 78:sc= 1.23 USER MOD Single : A 89 GLN : amide:sc= -0.0905 X(o=-0.091,f=-0.16) USER MOD Single : A 96 GLN : amide:sc= -0.0625 K(o=-0.063,f=-0.77) USER MOD Single : A 99 GLN : amide:sc= 0.969 K(o=0.97,f=-0.55) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc=-0.00138 (180deg=-0.0688) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 13.069 4.312 10.566 1.00 0.00 N ATOM 65 CA LYS A 5 13.198 3.835 9.198 1.00 0.00 C ATOM 66 C LYS A 5 11.941 3.124 8.729 1.00 0.00 C ATOM 67 O LYS A 5 11.509 3.293 7.585 1.00 0.00 O ATOM 68 CB LYS A 5 14.423 2.936 9.056 1.00 0.00 C ATOM 69 CG LYS A 5 15.734 3.702 9.105 1.00 0.00 C ATOM 70 CD LYS A 5 16.932 2.772 9.095 1.00 0.00 C ATOM 71 CE LYS A 5 18.230 3.542 8.902 1.00 0.00 C ATOM 72 NZ LYS A 5 18.399 4.629 9.901 1.00 0.00 N ATOM 0 HA LYS A 5 13.334 4.705 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.414 2.192 9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.361 2.394 8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.792 4.378 8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.761 4.319 10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.972 2.217 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.819 2.039 8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 5 19.072 2.853 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.251 3.968 7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.369 5.000 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.725 5.394 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.222 4.254 10.855 1.00 0.00 H new ATOM 86 N LEU A 6 11.337 2.360 9.616 1.00 0.00 N ATOM 87 CA LEU A 6 10.136 1.621 9.278 1.00 0.00 C ATOM 88 C LEU A 6 8.948 2.580 9.149 1.00 0.00 C ATOM 89 O LEU A 6 8.057 2.373 8.323 1.00 0.00 O ATOM 90 CB LEU A 6 9.864 0.540 10.333 1.00 0.00 C ATOM 91 CG LEU A 6 9.279 -0.783 9.811 1.00 0.00 C ATOM 92 CD1 LEU A 6 9.310 -1.840 10.898 1.00 0.00 C ATOM 93 CD2 LEU A 6 7.857 -0.595 9.301 1.00 0.00 C ATOM 0 H LEU A 6 11.657 2.234 10.576 1.00 0.00 H new ATOM 0 HA LEU A 6 10.279 1.126 8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.799 0.322 10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.178 0.949 11.075 1.00 0.00 H new ATOM 0 HG LEU A 6 9.896 -1.115 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.893 -2.770 10.513 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.340 -2.007 11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.720 -1.503 11.750 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.471 -1.548 8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.225 -0.232 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.855 0.130 8.487 1.00 0.00 H new ATOM 105 N ARG A 7 8.961 3.649 9.947 1.00 0.00 N ATOM 106 CA ARG A 7 7.900 4.648 9.907 1.00 0.00 C ATOM 107 C ARG A 7 7.878 5.301 8.533 1.00 0.00 C ATOM 108 O ARG A 7 6.818 5.474 7.934 1.00 0.00 O ATOM 109 CB ARG A 7 8.117 5.709 11.009 1.00 0.00 C ATOM 110 CG ARG A 7 6.844 6.432 11.471 1.00 0.00 C ATOM 111 CD ARG A 7 6.308 7.404 10.426 1.00 0.00 C ATOM 112 NE ARG A 7 5.015 7.972 10.823 1.00 0.00 N ATOM 113 CZ ARG A 7 4.277 8.792 10.065 1.00 0.00 C ATOM 114 NH1 ARG A 7 4.722 9.201 8.881 1.00 0.00 N ATOM 115 NH2 ARG A 7 3.100 9.208 10.504 1.00 0.00 N ATOM 0 H ARG A 7 9.696 3.842 10.628 1.00 0.00 H new ATOM 0 HA ARG A 7 6.941 4.164 10.090 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.577 5.227 11.872 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.826 6.451 10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.076 5.694 11.703 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.053 6.975 12.393 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.028 8.209 10.275 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.201 6.889 9.471 1.00 0.00 H new ATOM 0 HE ARG A 7 4.652 7.724 11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.633 8.890 8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.153 9.826 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.759 8.904 11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.534 9.833 9.930 1.00 0.00 H new ATOM 129 N GLN A 8 9.060 5.644 8.030 1.00 0.00 N ATOM 130 CA GLN A 8 9.175 6.238 6.708 1.00 0.00 C ATOM 131 C GLN A 8 8.791 5.247 5.625 1.00 0.00 C ATOM 132 O GLN A 8 8.138 5.612 4.665 1.00 0.00 O ATOM 133 CB GLN A 8 10.584 6.782 6.451 1.00 0.00 C ATOM 134 CG GLN A 8 10.749 8.255 6.798 1.00 0.00 C ATOM 135 CD GLN A 8 10.581 8.540 8.270 1.00 0.00 C ATOM 136 OE1 GLN A 8 9.475 8.788 8.748 1.00 0.00 O ATOM 137 NE2 GLN A 8 11.675 8.522 8.994 1.00 0.00 N ATOM 0 H GLN A 8 9.947 5.520 8.518 1.00 0.00 H new ATOM 0 HA GLN A 8 8.478 7.076 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.299 6.200 7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.833 6.636 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.737 8.588 6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.020 8.838 6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.572 8.311 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.628 8.719 9.994 1.00 0.00 H new ATOM 146 N THR A 9 9.171 3.986 5.802 1.00 0.00 N ATOM 147 CA THR A 9 8.860 2.958 4.816 1.00 0.00 C ATOM 148 C THR A 9 7.341 2.813 4.644 1.00 0.00 C ATOM 149 O THR A 9 6.831 2.786 3.521 1.00 0.00 O ATOM 150 CB THR A 9 9.469 1.594 5.215 1.00 0.00 C ATOM 151 OG1 THR A 9 10.888 1.728 5.393 1.00 0.00 O ATOM 152 CG2 THR A 9 9.196 0.545 4.145 1.00 0.00 C ATOM 0 H THR A 9 9.691 3.653 6.614 1.00 0.00 H new ATOM 0 HA THR A 9 9.300 3.271 3.869 1.00 0.00 H new ATOM 0 HB THR A 9 9.006 1.274 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.068 2.328 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.634 -0.406 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.120 0.425 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.639 0.864 3.201 1.00 0.00 H new ATOM 160 N GLY A 10 6.629 2.740 5.763 1.00 0.00 N ATOM 161 CA GLY A 10 5.184 2.637 5.713 1.00 0.00 C ATOM 162 C GLY A 10 4.545 3.904 5.174 1.00 0.00 C ATOM 163 O GLY A 10 3.595 3.849 4.394 1.00 0.00 O ATOM 0 H GLY A 10 7.027 2.750 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.902 1.792 5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.800 2.433 6.712 1.00 0.00 H new ATOM 167 N ASP A 11 5.080 5.044 5.589 1.00 0.00 N ATOM 168 CA ASP A 11 4.569 6.349 5.166 1.00 0.00 C ATOM 169 C ASP A 11 4.770 6.558 3.666 1.00 0.00 C ATOM 170 O ASP A 11 3.872 7.033 2.967 1.00 0.00 O ATOM 171 CB ASP A 11 5.263 7.461 5.954 1.00 0.00 C ATOM 172 CG ASP A 11 4.756 8.841 5.602 1.00 0.00 C ATOM 173 OD1 ASP A 11 3.556 9.109 5.816 1.00 0.00 O ATOM 174 OD2 ASP A 11 5.562 9.674 5.146 1.00 0.00 O1- ATOM 0 H ASP A 11 5.876 5.095 6.225 1.00 0.00 H new ATOM 0 HA ASP A 11 3.499 6.381 5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.118 7.288 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.336 7.416 5.767 1.00 0.00 H new ATOM 179 N GLU A 12 5.946 6.184 3.177 1.00 0.00 N ATOM 180 CA GLU A 12 6.271 6.304 1.763 1.00 0.00 C ATOM 181 C GLU A 12 5.343 5.468 0.900 1.00 0.00 C ATOM 182 O GLU A 12 5.013 5.863 -0.210 1.00 0.00 O ATOM 183 CB GLU A 12 7.736 5.971 1.491 1.00 0.00 C ATOM 184 CG GLU A 12 8.682 7.049 1.986 1.00 0.00 C ATOM 185 CD GLU A 12 10.130 6.770 1.662 1.00 0.00 C ATOM 186 OE1 GLU A 12 10.514 6.904 0.485 1.00 0.00 O ATOM 187 OE2 GLU A 12 10.900 6.459 2.590 1.00 0.00 O1- ATOM 0 H GLU A 12 6.696 5.792 3.746 1.00 0.00 H new ATOM 0 HA GLU A 12 6.118 7.347 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.985 5.025 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.880 5.831 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.396 8.004 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.572 7.151 3.066 1.00 0.00 H new ATOM 194 N LEU A 13 4.922 4.311 1.408 1.00 0.00 N ATOM 195 CA LEU A 13 3.976 3.471 0.677 1.00 0.00 C ATOM 196 C LEU A 13 2.690 4.244 0.425 1.00 0.00 C ATOM 197 O LEU A 13 2.128 4.200 -0.668 1.00 0.00 O ATOM 198 CB LEU A 13 3.664 2.188 1.455 1.00 0.00 C ATOM 199 CG LEU A 13 4.807 1.184 1.576 1.00 0.00 C ATOM 200 CD1 LEU A 13 4.380 -0.010 2.410 1.00 0.00 C ATOM 201 CD2 LEU A 13 5.258 0.731 0.201 1.00 0.00 C ATOM 0 H LEU A 13 5.216 3.938 2.311 1.00 0.00 H new ATOM 0 HA LEU A 13 4.429 3.193 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.342 2.465 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.820 1.692 0.975 1.00 0.00 H new ATOM 0 HG LEU A 13 5.644 1.672 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.207 -0.716 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.097 0.326 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.529 -0.499 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.074 0.015 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.424 0.259 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.601 1.593 -0.372 1.00 0.00 H new ATOM 213 N VAL A 14 2.251 4.977 1.437 1.00 0.00 N ATOM 214 CA VAL A 14 1.058 5.799 1.329 1.00 0.00 C ATOM 215 C VAL A 14 1.271 6.885 0.277 1.00 0.00 C ATOM 216 O VAL A 14 0.425 7.106 -0.591 1.00 0.00 O ATOM 217 CB VAL A 14 0.723 6.477 2.684 1.00 0.00 C ATOM 218 CG1 VAL A 14 -0.569 7.279 2.593 1.00 0.00 C ATOM 219 CG2 VAL A 14 0.648 5.447 3.804 1.00 0.00 C ATOM 0 H VAL A 14 2.708 5.018 2.348 1.00 0.00 H new ATOM 0 HA VAL A 14 0.230 5.151 1.041 1.00 0.00 H new ATOM 0 HB VAL A 14 1.530 7.171 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.778 7.743 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.464 8.053 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.391 6.616 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.412 5.947 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.129 4.718 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.608 4.938 3.895 1.00 0.00 H new ATOM 229 N GLN A 15 2.429 7.525 0.347 1.00 0.00 N ATOM 230 CA GLN A 15 2.785 8.612 -0.558 1.00 0.00 C ATOM 231 C GLN A 15 2.952 8.120 -1.996 1.00 0.00 C ATOM 232 O GLN A 15 2.563 8.806 -2.941 1.00 0.00 O ATOM 233 CB GLN A 15 4.055 9.308 -0.072 1.00 0.00 C ATOM 234 CG GLN A 15 3.916 9.903 1.321 1.00 0.00 C ATOM 235 CD GLN A 15 5.186 10.563 1.815 1.00 0.00 C ATOM 236 OE1 GLN A 15 6.296 10.163 1.457 1.00 0.00 O ATOM 237 NE2 GLN A 15 5.032 11.573 2.643 1.00 0.00 N ATOM 0 H GLN A 15 3.151 7.306 1.034 1.00 0.00 H new ATOM 0 HA GLN A 15 1.966 9.331 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.877 8.593 -0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.319 10.099 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.110 10.637 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.628 9.116 2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.095 11.872 2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.849 12.057 3.014 1.00 0.00 H new ATOM 246 N ALA A 16 3.525 6.931 -2.155 1.00 0.00 N ATOM 247 CA ALA A 16 3.730 6.346 -3.476 1.00 0.00 C ATOM 248 C ALA A 16 2.399 6.151 -4.187 1.00 0.00 C ATOM 249 O ALA A 16 2.274 6.433 -5.378 1.00 0.00 O ATOM 250 CB ALA A 16 4.473 5.022 -3.364 1.00 0.00 C ATOM 0 H ALA A 16 3.856 6.352 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 16 4.337 7.033 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.617 4.600 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.443 5.188 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.891 4.329 -2.757 1.00 0.00 H new ATOM 256 N PHE A 17 1.404 5.679 -3.449 1.00 0.00 N ATOM 257 CA PHE A 17 0.070 5.498 -3.996 1.00 0.00 C ATOM 258 C PHE A 17 -0.575 6.839 -4.327 1.00 0.00 C ATOM 259 O PHE A 17 -1.304 6.955 -5.308 1.00 0.00 O ATOM 260 CB PHE A 17 -0.815 4.680 -3.066 1.00 0.00 C ATOM 261 CG PHE A 17 -0.583 3.196 -3.165 1.00 0.00 C ATOM 262 CD1 PHE A 17 0.156 2.528 -2.208 1.00 0.00 C ATOM 263 CD2 PHE A 17 -1.114 2.472 -4.220 1.00 0.00 C ATOM 264 CE1 PHE A 17 0.363 1.166 -2.297 1.00 0.00 C ATOM 265 CE2 PHE A 17 -0.911 1.109 -4.316 1.00 0.00 C ATOM 266 CZ PHE A 17 -0.173 0.455 -3.353 1.00 0.00 C ATOM 0 H PHE A 17 1.497 5.415 -2.468 1.00 0.00 H new ATOM 0 HA PHE A 17 0.174 4.936 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.641 4.999 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.860 4.892 -3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.577 3.078 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.694 2.979 -4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.943 0.657 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.330 0.557 -5.144 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.014 -0.611 -3.424 1.00 0.00 H new ATOM 276 N GLN A 18 -0.322 7.845 -3.496 1.00 0.00 N ATOM 277 CA GLN A 18 -0.832 9.189 -3.752 1.00 0.00 C ATOM 278 C GLN A 18 -0.278 9.701 -5.077 1.00 0.00 C ATOM 279 O GLN A 18 -1.002 10.284 -5.885 1.00 0.00 O ATOM 280 CB GLN A 18 -0.434 10.137 -2.623 1.00 0.00 C ATOM 281 CG GLN A 18 -0.957 9.734 -1.257 1.00 0.00 C ATOM 282 CD GLN A 18 -2.468 9.704 -1.190 1.00 0.00 C ATOM 283 OE1 GLN A 18 -3.152 10.463 -1.880 1.00 0.00 O ATOM 284 NE2 GLN A 18 -3.001 8.831 -0.364 1.00 0.00 N ATOM 0 H GLN A 18 0.230 7.757 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.920 9.149 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.654 10.196 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.798 11.137 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.567 8.749 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -0.579 10.431 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.400 8.220 0.190 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.015 8.764 -0.277 1.00 0.00 H new ATOM 293 N ARG A 19 1.009 9.458 -5.299 1.00 0.00 N ATOM 294 CA ARG A 19 1.649 9.824 -6.550 1.00 0.00 C ATOM 295 C ARG A 19 1.086 8.996 -7.694 1.00 0.00 C ATOM 296 O ARG A 19 0.935 9.486 -8.814 1.00 0.00 O ATOM 297 CB ARG A 19 3.168 9.660 -6.455 1.00 0.00 C ATOM 298 CG ARG A 19 3.869 10.846 -5.812 1.00 0.00 C ATOM 299 CD ARG A 19 3.700 12.089 -6.668 1.00 0.00 C ATOM 300 NE ARG A 19 4.393 13.255 -6.124 1.00 0.00 N ATOM 301 CZ ARG A 19 5.083 14.119 -6.870 1.00 0.00 C ATOM 302 NH1 ARG A 19 5.324 13.852 -8.154 1.00 0.00 N ATOM 303 NH2 ARG A 19 5.566 15.228 -6.328 1.00 0.00 N ATOM 0 H ARG A 19 1.628 9.008 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 19 1.438 10.875 -6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.393 8.761 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.572 9.509 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.459 11.023 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.929 10.625 -5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.074 11.886 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.638 12.316 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 19 4.346 13.417 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.980 12.985 -8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.852 14.514 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.410 15.422 -5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.093 15.887 -6.900 1.00 0.00 H new ATOM 317 N LEU A 20 0.764 7.743 -7.399 1.00 0.00 N ATOM 318 CA LEU A 20 0.151 6.858 -8.375 1.00 0.00 C ATOM 319 C LEU A 20 -1.192 7.433 -8.808 1.00 0.00 C ATOM 320 O LEU A 20 -1.557 7.375 -9.980 1.00 0.00 O ATOM 321 CB LEU A 20 -0.050 5.459 -7.779 1.00 0.00 C ATOM 322 CG LEU A 20 -0.531 4.381 -8.751 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.555 4.047 -9.762 1.00 0.00 C ATOM 324 CD2 LEU A 20 -0.965 3.136 -7.996 1.00 0.00 C ATOM 0 H LEU A 20 0.919 7.317 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 20 0.809 6.775 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.894 5.132 -7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.770 5.533 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.393 4.769 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.193 3.278 -10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.813 4.942 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.439 3.681 -9.239 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.304 2.380 -8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.123 2.745 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.780 3.388 -7.317 1.00 0.00 H new ATOM 336 N ARG A 21 -1.919 8.001 -7.844 1.00 0.00 N ATOM 337 CA ARG A 21 -3.208 8.615 -8.114 1.00 0.00 C ATOM 338 C ARG A 21 -3.064 9.791 -9.067 1.00 0.00 C ATOM 339 O ARG A 21 -3.898 9.984 -9.942 1.00 0.00 O ATOM 340 CB ARG A 21 -3.900 9.063 -6.824 1.00 0.00 C ATOM 341 CG ARG A 21 -4.355 7.920 -5.932 1.00 0.00 C ATOM 342 CD ARG A 21 -5.474 8.359 -4.996 1.00 0.00 C ATOM 343 NE ARG A 21 -5.078 9.470 -4.123 1.00 0.00 N ATOM 344 CZ ARG A 21 -5.675 10.670 -4.105 1.00 0.00 C ATOM 345 NH1 ARG A 21 -6.638 10.959 -4.976 1.00 0.00 N ATOM 346 NH2 ARG A 21 -5.290 11.584 -3.231 1.00 0.00 N ATOM 0 H ARG A 21 -1.630 8.045 -6.867 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.832 7.857 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.217 9.699 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.765 9.674 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.699 7.090 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.511 7.555 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.340 8.657 -5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.782 7.512 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.295 9.319 -3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.928 10.265 -5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.087 11.875 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.540 11.375 -2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.743 12.498 -3.216 1.00 0.00 H new ATOM 360 N GLU A 22 -2.010 10.584 -8.890 1.00 0.00 N ATOM 361 CA GLU A 22 -1.743 11.701 -9.785 1.00 0.00 C ATOM 362 C GLU A 22 -1.520 11.204 -11.199 1.00 0.00 C ATOM 363 O GLU A 22 -2.084 11.733 -12.150 1.00 0.00 O ATOM 364 CB GLU A 22 -0.528 12.497 -9.313 1.00 0.00 C ATOM 365 CG GLU A 22 -0.878 13.789 -8.601 1.00 0.00 C ATOM 366 CD GLU A 22 -1.673 13.581 -7.334 1.00 0.00 C ATOM 367 OE1 GLU A 22 -2.853 13.178 -7.418 1.00 0.00 O ATOM 368 OE2 GLU A 22 -1.137 13.855 -6.243 1.00 0.00 O1- ATOM 0 H GLU A 22 -1.331 10.473 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.612 12.358 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.064 11.874 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.100 12.727 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.041 14.323 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.448 14.425 -9.278 1.00 0.00 H new ATOM 375 N ILE A 23 -0.709 10.173 -11.325 1.00 0.00 N ATOM 376 CA ILE A 23 -0.421 9.575 -12.613 1.00 0.00 C ATOM 377 C ILE A 23 -1.696 8.998 -13.232 1.00 0.00 C ATOM 378 O ILE A 23 -1.971 9.194 -14.421 1.00 0.00 O ATOM 379 CB ILE A 23 0.638 8.469 -12.472 1.00 0.00 C ATOM 380 CG1 ILE A 23 1.940 9.061 -11.923 1.00 0.00 C ATOM 381 CG2 ILE A 23 0.876 7.790 -13.806 1.00 0.00 C ATOM 382 CD1 ILE A 23 2.994 8.030 -11.602 1.00 0.00 C ATOM 0 H ILE A 23 -0.233 9.728 -10.541 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.030 10.353 -13.269 1.00 0.00 H new ATOM 0 HB ILE A 23 0.274 7.718 -11.771 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.344 9.764 -12.652 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.716 9.631 -11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.628 7.010 -13.688 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.055 7.346 -14.160 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.226 8.525 -14.531 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.885 8.528 -11.219 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.611 7.341 -10.849 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.248 7.476 -12.506 1.00 0.00 H new ATOM 394 N PHE A 24 -2.471 8.305 -12.412 1.00 0.00 N ATOM 395 CA PHE A 24 -3.736 7.723 -12.837 1.00 0.00 C ATOM 396 C PHE A 24 -4.703 8.816 -13.284 1.00 0.00 C ATOM 397 O PHE A 24 -5.414 8.666 -14.280 1.00 0.00 O ATOM 398 CB PHE A 24 -4.347 6.907 -11.687 1.00 0.00 C ATOM 399 CG PHE A 24 -5.693 6.310 -11.992 1.00 0.00 C ATOM 400 CD1 PHE A 24 -5.803 5.186 -12.793 1.00 0.00 C ATOM 401 CD2 PHE A 24 -6.849 6.871 -11.469 1.00 0.00 C ATOM 402 CE1 PHE A 24 -7.038 4.634 -13.069 1.00 0.00 C ATOM 403 CE2 PHE A 24 -8.087 6.324 -11.742 1.00 0.00 C ATOM 404 CZ PHE A 24 -8.182 5.204 -12.543 1.00 0.00 C ATOM 0 H PHE A 24 -2.242 8.130 -11.434 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.552 7.061 -13.683 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.659 6.104 -11.423 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.439 7.549 -10.811 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.913 4.736 -13.207 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.780 7.747 -10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.110 3.757 -13.696 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.979 6.772 -11.330 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.149 4.774 -12.758 1.00 0.00 H new ATOM 414 N ASP A 25 -4.709 9.917 -12.548 1.00 0.00 N ATOM 415 CA ASP A 25 -5.580 11.047 -12.847 1.00 0.00 C ATOM 416 C ASP A 25 -5.173 11.716 -14.153 1.00 0.00 C ATOM 417 O ASP A 25 -6.018 12.184 -14.911 1.00 0.00 O ATOM 418 CB ASP A 25 -5.541 12.062 -11.705 1.00 0.00 C ATOM 419 CG ASP A 25 -6.530 13.188 -11.890 1.00 0.00 C ATOM 420 OD1 ASP A 25 -7.718 12.999 -11.554 1.00 0.00 O ATOM 421 OD2 ASP A 25 -6.124 14.273 -12.363 1.00 0.00 O1- ATOM 0 H ASP A 25 -4.114 10.054 -11.731 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.598 10.672 -12.955 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.749 11.552 -10.764 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.536 12.476 -11.627 1.00 0.00 H new ATOM 426 N LYS A 26 -3.874 11.735 -14.422 1.00 0.00 N ATOM 427 CA LYS A 26 -3.359 12.331 -15.649 1.00 0.00 C ATOM 428 C LYS A 26 -3.567 11.394 -16.832 1.00 0.00 C ATOM 429 O LYS A 26 -3.487 11.810 -17.989 1.00 0.00 O ATOM 430 CB LYS A 26 -1.871 12.658 -15.512 1.00 0.00 C ATOM 431 CG LYS A 26 -1.553 13.713 -14.462 1.00 0.00 C ATOM 432 CD LYS A 26 -0.057 14.001 -14.392 1.00 0.00 C ATOM 433 CE LYS A 26 0.476 14.549 -15.713 1.00 0.00 C ATOM 434 NZ LYS A 26 -0.179 15.828 -16.092 1.00 0.00 N ATOM 0 H LYS A 26 -3.158 11.345 -13.809 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.910 13.255 -15.825 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.332 11.743 -15.265 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.496 12.999 -16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.091 14.632 -14.694 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.905 13.375 -13.487 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.138 14.719 -13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.478 13.087 -14.135 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.552 14.703 -15.633 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.317 13.813 -16.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.324 16.250 -16.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.168 15.646 -16.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.153 16.484 -15.285 1.00 0.00 H new ATOM 448 N GLY A 27 -3.828 10.130 -16.534 1.00 0.00 N ATOM 449 CA GLY A 27 -4.051 9.150 -17.576 1.00 0.00 C ATOM 450 C GLY A 27 -2.767 8.729 -18.256 1.00 0.00 C ATOM 451 O GLY A 27 -2.777 8.309 -19.413 1.00 0.00 O ATOM 0 H GLY A 27 -3.890 9.764 -15.584 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.537 8.273 -17.148 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.734 9.562 -18.319 1.00 0.00 H new ATOM 455 N ASP A 28 -1.659 8.839 -17.540 1.00 0.00 N ATOM 456 CA ASP A 28 -0.364 8.467 -18.091 1.00 0.00 C ATOM 457 C ASP A 28 -0.098 6.993 -17.832 1.00 0.00 C ATOM 458 O ASP A 28 0.402 6.615 -16.771 1.00 0.00 O ATOM 459 CB ASP A 28 0.755 9.326 -17.496 1.00 0.00 C ATOM 460 CG ASP A 28 2.070 9.164 -18.237 1.00 0.00 C ATOM 461 OD1 ASP A 28 2.753 8.143 -18.037 1.00 0.00 O ATOM 462 OD2 ASP A 28 2.431 10.072 -19.017 1.00 0.00 O1- ATOM 0 H ASP A 28 -1.629 9.181 -16.580 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.383 8.643 -19.167 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.455 10.374 -17.519 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.896 9.058 -16.449 1.00 0.00 H new ATOM 467 N ASP A 29 -0.469 6.166 -18.793 1.00 0.00 N ATOM 468 CA ASP A 29 -0.333 4.713 -18.674 1.00 0.00 C ATOM 469 C ASP A 29 1.122 4.292 -18.510 1.00 0.00 C ATOM 470 O ASP A 29 1.423 3.346 -17.780 1.00 0.00 O ATOM 471 CB ASP A 29 -0.937 4.010 -19.896 1.00 0.00 C ATOM 472 CG ASP A 29 -2.428 4.238 -20.042 1.00 0.00 C ATOM 473 OD1 ASP A 29 -3.212 3.505 -19.401 1.00 0.00 O ATOM 474 OD2 ASP A 29 -2.825 5.143 -20.817 1.00 0.00 O1- ATOM 0 H ASP A 29 -0.872 6.475 -19.678 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.877 4.413 -17.778 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.433 4.363 -20.796 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.746 2.939 -19.822 1.00 0.00 H new ATOM 479 N ASP A 30 2.020 5.009 -19.177 1.00 0.00 N ATOM 480 CA ASP A 30 3.451 4.692 -19.142 1.00 0.00 C ATOM 481 C ASP A 30 3.989 4.725 -17.721 1.00 0.00 C ATOM 482 O ASP A 30 4.632 3.778 -17.262 1.00 0.00 O ATOM 483 CB ASP A 30 4.233 5.684 -20.010 1.00 0.00 C ATOM 484 CG ASP A 30 5.736 5.484 -19.929 1.00 0.00 C ATOM 485 OD1 ASP A 30 6.269 4.651 -20.691 1.00 0.00 O ATOM 486 OD2 ASP A 30 6.394 6.171 -19.112 1.00 0.00 O1- ATOM 0 H ASP A 30 1.785 5.818 -19.752 1.00 0.00 H new ATOM 0 HA ASP A 30 3.578 3.683 -19.535 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.913 5.582 -21.047 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.990 6.700 -19.700 1.00 0.00 H new ATOM 491 N SER A 31 3.719 5.806 -17.030 1.00 0.00 N ATOM 492 CA SER A 31 4.171 5.969 -15.670 1.00 0.00 C ATOM 493 C SER A 31 3.386 5.073 -14.715 1.00 0.00 C ATOM 494 O SER A 31 3.942 4.533 -13.764 1.00 0.00 O ATOM 495 CB SER A 31 4.041 7.429 -15.255 1.00 0.00 C ATOM 496 OG SER A 31 4.638 8.280 -16.222 1.00 0.00 O ATOM 0 H SER A 31 3.182 6.594 -17.393 1.00 0.00 H new ATOM 0 HA SER A 31 5.219 5.672 -15.618 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.988 7.686 -15.137 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.517 7.581 -14.286 1.00 0.00 H new ATOM 0 HG SER A 31 4.017 8.413 -16.969 1.00 0.00 H new ATOM 502 N LEU A 32 2.101 4.886 -15.001 1.00 0.00 N ATOM 503 CA LEU A 32 1.220 4.129 -14.118 1.00 0.00 C ATOM 504 C LEU A 32 1.689 2.687 -13.963 1.00 0.00 C ATOM 505 O LEU A 32 1.804 2.184 -12.848 1.00 0.00 O ATOM 506 CB LEU A 32 -0.209 4.142 -14.675 1.00 0.00 C ATOM 507 CG LEU A 32 -1.281 3.508 -13.787 1.00 0.00 C ATOM 508 CD1 LEU A 32 -1.568 4.388 -12.584 1.00 0.00 C ATOM 509 CD2 LEU A 32 -2.552 3.250 -14.579 1.00 0.00 C ATOM 0 H LEU A 32 1.646 5.249 -15.839 1.00 0.00 H new ATOM 0 HA LEU A 32 1.243 4.603 -13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.492 5.176 -14.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.208 3.625 -15.635 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.904 2.550 -13.428 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.333 3.920 -11.965 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.656 4.515 -12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.921 5.362 -12.922 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.301 2.799 -13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.933 4.192 -14.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.335 2.573 -15.405 1.00 0.00 H new ATOM 521 N GLU A 33 1.983 2.042 -15.079 1.00 0.00 N ATOM 522 CA GLU A 33 2.416 0.653 -15.066 1.00 0.00 C ATOM 523 C GLU A 33 3.779 0.484 -14.394 1.00 0.00 C ATOM 524 O GLU A 33 3.982 -0.441 -13.611 1.00 0.00 O ATOM 525 CB GLU A 33 2.433 0.081 -16.481 1.00 0.00 C ATOM 526 CG GLU A 33 1.080 0.146 -17.172 1.00 0.00 C ATOM 527 CD GLU A 33 1.060 -0.589 -18.489 1.00 0.00 C ATOM 528 OE1 GLU A 33 1.593 -0.055 -19.484 1.00 0.00 O ATOM 529 OE2 GLU A 33 0.501 -1.710 -18.538 1.00 0.00 O1- ATOM 0 H GLU A 33 1.930 2.458 -16.009 1.00 0.00 H new ATOM 0 HA GLU A 33 1.693 0.092 -14.473 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.164 0.627 -17.077 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.764 -0.957 -16.442 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.321 -0.276 -16.514 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.812 1.189 -17.339 1.00 0.00 H new ATOM 536 N GLN A 34 4.698 1.392 -14.691 1.00 0.00 N ATOM 537 CA GLN A 34 6.051 1.320 -14.144 1.00 0.00 C ATOM 538 C GLN A 34 6.067 1.530 -12.628 1.00 0.00 C ATOM 539 O GLN A 34 6.769 0.823 -11.902 1.00 0.00 O ATOM 540 CB GLN A 34 6.964 2.331 -14.834 1.00 0.00 C ATOM 541 CG GLN A 34 7.186 2.039 -16.309 1.00 0.00 C ATOM 542 CD GLN A 34 8.173 2.989 -16.947 1.00 0.00 C ATOM 543 OE1 GLN A 34 9.380 2.737 -16.956 1.00 0.00 O ATOM 544 NE2 GLN A 34 7.674 4.080 -17.488 1.00 0.00 N ATOM 0 H GLN A 34 4.534 2.188 -15.307 1.00 0.00 H new ATOM 0 HA GLN A 34 6.427 0.316 -14.338 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.534 3.327 -14.730 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.928 2.345 -14.325 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.546 1.016 -16.423 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.234 2.102 -16.836 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.669 4.250 -17.459 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.293 4.756 -17.937 1.00 0.00 H new ATOM 553 N VAL A 35 5.278 2.484 -12.157 1.00 0.00 N ATOM 554 CA VAL A 35 5.198 2.781 -10.730 1.00 0.00 C ATOM 555 C VAL A 35 4.671 1.580 -9.938 1.00 0.00 C ATOM 556 O VAL A 35 5.073 1.359 -8.798 1.00 0.00 O ATOM 557 CB VAL A 35 4.352 4.051 -10.442 1.00 0.00 C ATOM 558 CG1 VAL A 35 4.149 4.252 -8.945 1.00 0.00 C ATOM 559 CG2 VAL A 35 5.035 5.271 -11.034 1.00 0.00 C ATOM 0 H VAL A 35 4.681 3.069 -12.742 1.00 0.00 H new ATOM 0 HA VAL A 35 6.214 2.988 -10.395 1.00 0.00 H new ATOM 0 HB VAL A 35 3.374 3.917 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.553 5.149 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.631 3.388 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.118 4.363 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.437 6.159 -10.829 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.022 5.388 -10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.137 5.144 -12.112 1.00 0.00 H new ATOM 569 N LEU A 36 3.791 0.791 -10.557 1.00 0.00 N ATOM 570 CA LEU A 36 3.222 -0.384 -9.891 1.00 0.00 C ATOM 571 C LEU A 36 4.335 -1.344 -9.458 1.00 0.00 C ATOM 572 O LEU A 36 4.285 -1.908 -8.364 1.00 0.00 O ATOM 573 CB LEU A 36 2.243 -1.118 -10.819 1.00 0.00 C ATOM 574 CG LEU A 36 1.038 -0.309 -11.311 1.00 0.00 C ATOM 575 CD1 LEU A 36 0.190 -1.142 -12.260 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.198 0.181 -10.141 1.00 0.00 C ATOM 0 H LEU A 36 3.459 0.941 -11.510 1.00 0.00 H new ATOM 0 HA LEU A 36 2.680 -0.040 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.796 -1.471 -11.689 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.873 -2.000 -10.297 1.00 0.00 H new ATOM 0 HG LEU A 36 1.412 0.562 -11.850 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.661 -0.552 -12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.791 -1.440 -13.119 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.168 -2.032 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.651 0.752 -10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.164 -0.674 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.806 0.816 -9.497 1.00 0.00 H new ATOM 588 N GLU A 37 5.349 -1.502 -10.308 1.00 0.00 N ATOM 589 CA GLU A 37 6.488 -2.359 -9.985 1.00 0.00 C ATOM 590 C GLU A 37 7.283 -1.754 -8.837 1.00 0.00 C ATOM 591 O GLU A 37 7.709 -2.453 -7.911 1.00 0.00 O ATOM 592 CB GLU A 37 7.414 -2.524 -11.193 1.00 0.00 C ATOM 593 CG GLU A 37 6.753 -3.095 -12.433 1.00 0.00 C ATOM 594 CD GLU A 37 7.768 -3.461 -13.496 1.00 0.00 C ATOM 595 OE1 GLU A 37 8.242 -2.553 -14.219 1.00 0.00 O ATOM 596 OE2 GLU A 37 8.113 -4.661 -13.603 1.00 0.00 O1- ATOM 0 H GLU A 37 5.405 -1.050 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 37 6.100 -3.337 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.840 -1.552 -11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.243 -3.172 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.176 -3.979 -12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.050 -2.367 -12.838 1.00 0.00 H new ATOM 603 N GLU A 38 7.465 -0.445 -8.906 1.00 0.00 N ATOM 604 CA GLU A 38 8.225 0.293 -7.912 1.00 0.00 C ATOM 605 C GLU A 38 7.562 0.224 -6.542 1.00 0.00 C ATOM 606 O GLU A 38 8.238 0.070 -5.522 1.00 0.00 O ATOM 607 CB GLU A 38 8.398 1.745 -8.356 1.00 0.00 C ATOM 608 CG GLU A 38 9.113 1.887 -9.691 1.00 0.00 C ATOM 609 CD GLU A 38 9.317 3.327 -10.097 1.00 0.00 C ATOM 610 OE1 GLU A 38 9.999 4.066 -9.356 1.00 0.00 O ATOM 611 OE2 GLU A 38 8.815 3.724 -11.167 1.00 0.00 O1- ATOM 0 H GLU A 38 7.089 0.136 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 38 9.208 -0.169 -7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.417 2.215 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.958 2.286 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.081 1.390 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.537 1.375 -10.462 1.00 0.00 H new ATOM 618 N ILE A 39 6.243 0.328 -6.523 1.00 0.00 N ATOM 619 CA ILE A 39 5.494 0.244 -5.280 1.00 0.00 C ATOM 620 C ILE A 39 5.704 -1.114 -4.622 1.00 0.00 C ATOM 621 O ILE A 39 5.875 -1.203 -3.407 1.00 0.00 O ATOM 622 CB ILE A 39 3.980 0.487 -5.501 1.00 0.00 C ATOM 623 CG1 ILE A 39 3.739 1.910 -6.012 1.00 0.00 C ATOM 624 CG2 ILE A 39 3.206 0.247 -4.211 1.00 0.00 C ATOM 625 CD1 ILE A 39 2.286 2.218 -6.304 1.00 0.00 C ATOM 0 H ILE A 39 5.669 0.471 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 39 5.870 1.029 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 39 3.623 -0.218 -6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.109 2.619 -5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.322 2.063 -6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.144 0.423 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.355 -0.782 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.564 0.929 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.196 3.244 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.915 1.534 -7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.699 2.098 -5.394 1.00 0.00 H new ATOM 637 N GLU A 40 5.732 -2.167 -5.433 1.00 0.00 N ATOM 638 CA GLU A 40 5.920 -3.515 -4.912 1.00 0.00 C ATOM 639 C GLU A 40 7.290 -3.667 -4.285 1.00 0.00 C ATOM 640 O GLU A 40 7.445 -4.340 -3.266 1.00 0.00 O ATOM 641 CB GLU A 40 5.705 -4.575 -5.985 1.00 0.00 C ATOM 642 CG GLU A 40 4.272 -4.677 -6.466 1.00 0.00 C ATOM 643 CD GLU A 40 3.965 -6.031 -7.050 1.00 0.00 C ATOM 644 OE1 GLU A 40 4.279 -6.263 -8.232 1.00 0.00 O ATOM 645 OE2 GLU A 40 3.426 -6.887 -6.320 1.00 0.00 O1- ATOM 0 H GLU A 40 5.628 -2.113 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 40 5.165 -3.668 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.349 -4.353 -6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.017 -5.543 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.596 -4.480 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.086 -3.909 -7.216 1.00 0.00 H new ATOM 652 N GLU A 41 8.284 -3.040 -4.898 1.00 0.00 N ATOM 653 CA GLU A 41 9.639 -3.064 -4.376 1.00 0.00 C ATOM 654 C GLU A 41 9.657 -2.470 -2.965 1.00 0.00 C ATOM 655 O GLU A 41 10.312 -2.993 -2.058 1.00 0.00 O ATOM 656 CB GLU A 41 10.570 -2.269 -5.296 1.00 0.00 C ATOM 657 CG GLU A 41 12.045 -2.501 -5.029 1.00 0.00 C ATOM 658 CD GLU A 41 12.449 -3.936 -5.273 1.00 0.00 C ATOM 659 OE1 GLU A 41 12.639 -4.314 -6.452 1.00 0.00 O ATOM 660 OE2 GLU A 41 12.572 -4.696 -4.295 1.00 0.00 O1- ATOM 0 H GLU A 41 8.175 -2.507 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 41 9.989 -4.095 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.353 -2.532 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.354 -1.206 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.636 -1.845 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.273 -2.231 -3.998 1.00 0.00 H new ATOM 667 N LEU A 42 8.921 -1.381 -2.792 1.00 0.00 N ATOM 668 CA LEU A 42 8.804 -0.725 -1.500 1.00 0.00 C ATOM 669 C LEU A 42 8.031 -1.607 -0.515 1.00 0.00 C ATOM 670 O LEU A 42 8.383 -1.697 0.661 1.00 0.00 O ATOM 671 CB LEU A 42 8.120 0.634 -1.651 1.00 0.00 C ATOM 672 CG LEU A 42 8.807 1.625 -2.592 1.00 0.00 C ATOM 673 CD1 LEU A 42 8.001 2.910 -2.691 1.00 0.00 C ATOM 674 CD2 LEU A 42 10.226 1.918 -2.123 1.00 0.00 C ATOM 0 H LEU A 42 8.392 -0.931 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 42 9.807 -0.566 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.103 0.470 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.043 1.092 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 42 8.862 1.175 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.504 3.604 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.006 2.687 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.914 3.362 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.696 2.625 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.197 2.346 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.802 0.993 -2.105 1.00 0.00 H new ATOM 686 N ILE A 43 6.973 -2.255 -1.007 1.00 0.00 N ATOM 687 CA ILE A 43 6.170 -3.162 -0.182 1.00 0.00 C ATOM 688 C ILE A 43 7.032 -4.317 0.327 1.00 0.00 C ATOM 689 O ILE A 43 6.940 -4.709 1.493 1.00 0.00 O ATOM 690 CB ILE A 43 4.952 -3.733 -0.964 1.00 0.00 C ATOM 691 CG1 ILE A 43 4.013 -2.602 -1.395 1.00 0.00 C ATOM 692 CG2 ILE A 43 4.197 -4.756 -0.114 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.845 -3.065 -2.245 1.00 0.00 C ATOM 0 H ILE A 43 6.652 -2.169 -1.971 1.00 0.00 H new ATOM 0 HA ILE A 43 5.792 -2.583 0.660 1.00 0.00 H new ATOM 0 HB ILE A 43 5.324 -4.235 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.628 -2.104 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.585 -1.861 -1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.349 -5.143 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.865 -5.577 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.838 -4.278 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.226 -2.208 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.220 -3.537 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.248 -3.783 -1.683 1.00 0.00 H new ATOM 705 N GLN A 44 7.881 -4.843 -0.551 1.00 0.00 N ATOM 706 CA GLN A 44 8.784 -5.924 -0.201 1.00 0.00 C ATOM 707 C GLN A 44 9.749 -5.466 0.890 1.00 0.00 C ATOM 708 O GLN A 44 10.092 -6.229 1.796 1.00 0.00 O ATOM 709 CB GLN A 44 9.550 -6.382 -1.443 1.00 0.00 C ATOM 710 CG GLN A 44 10.424 -7.597 -1.213 1.00 0.00 C ATOM 711 CD GLN A 44 11.076 -8.106 -2.489 1.00 0.00 C ATOM 712 OE1 GLN A 44 11.325 -9.302 -2.636 1.00 0.00 O ATOM 713 NE2 GLN A 44 11.368 -7.208 -3.409 1.00 0.00 N ATOM 0 H GLN A 44 7.959 -4.531 -1.519 1.00 0.00 H new ATOM 0 HA GLN A 44 8.207 -6.766 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.836 -6.605 -2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.173 -5.561 -1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.200 -7.349 -0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.822 -8.394 -0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.146 -6.225 -3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.816 -7.496 -4.279 1.00 0.00 H new ATOM 722 N LYS A 45 10.165 -4.208 0.803 1.00 0.00 N ATOM 723 CA LYS A 45 11.035 -3.613 1.805 1.00 0.00 C ATOM 724 C LYS A 45 10.320 -3.568 3.153 1.00 0.00 C ATOM 725 O LYS A 45 10.902 -3.892 4.192 1.00 0.00 O ATOM 726 CB LYS A 45 11.445 -2.199 1.380 1.00 0.00 C ATOM 727 CG LYS A 45 12.218 -1.437 2.442 1.00 0.00 C ATOM 728 CD LYS A 45 12.551 -0.029 1.986 1.00 0.00 C ATOM 729 CE LYS A 45 13.206 0.771 3.100 1.00 0.00 C ATOM 730 NZ LYS A 45 14.465 0.144 3.575 1.00 0.00 N ATOM 0 H LYS A 45 9.910 -3.578 0.042 1.00 0.00 H new ATOM 0 HA LYS A 45 11.933 -4.223 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.053 -2.263 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.550 -1.634 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.631 -1.394 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.138 -1.971 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.218 -0.071 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.641 0.475 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.416 1.780 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.511 0.865 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.954 0.795 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.245 -0.741 4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.079 -0.062 2.761 1.00 0.00 H new ATOM 744 N HIS A 46 9.054 -3.170 3.122 1.00 0.00 N ATOM 745 CA HIS A 46 8.233 -3.104 4.324 1.00 0.00 C ATOM 746 C HIS A 46 8.083 -4.494 4.938 1.00 0.00 C ATOM 747 O HIS A 46 8.152 -4.656 6.158 1.00 0.00 O ATOM 748 CB HIS A 46 6.853 -2.514 3.994 1.00 0.00 C ATOM 749 CG HIS A 46 5.948 -2.363 5.184 1.00 0.00 C ATOM 750 ND1 HIS A 46 4.844 -3.156 5.418 1.00 0.00 N ATOM 751 CD2 HIS A 46 5.995 -1.479 6.211 1.00 0.00 C ATOM 752 CE1 HIS A 46 4.271 -2.737 6.554 1.00 0.00 C ATOM 753 NE2 HIS A 46 4.931 -1.723 7.074 1.00 0.00 N ATOM 0 H HIS A 46 8.571 -2.886 2.270 1.00 0.00 H new ATOM 0 HA HIS A 46 8.725 -2.455 5.048 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.989 -1.538 3.529 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.364 -3.152 3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.740 -0.708 6.339 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.383 -3.174 6.987 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.708 -1.220 7.933 1.00 0.00 H new ATOM 761 N ARG A 47 7.893 -5.492 4.079 1.00 0.00 N ATOM 762 CA ARG A 47 7.759 -6.877 4.519 1.00 0.00 C ATOM 763 C ARG A 47 9.025 -7.339 5.226 1.00 0.00 C ATOM 764 O ARG A 47 8.971 -8.107 6.179 1.00 0.00 O ATOM 765 CB ARG A 47 7.458 -7.801 3.329 1.00 0.00 C ATOM 766 CG ARG A 47 6.107 -7.554 2.656 1.00 0.00 C ATOM 767 CD ARG A 47 4.943 -8.163 3.441 1.00 0.00 C ATOM 768 NE ARG A 47 4.821 -7.611 4.792 1.00 0.00 N ATOM 769 CZ ARG A 47 3.821 -6.846 5.217 1.00 0.00 C ATOM 770 NH1 ARG A 47 2.799 -6.549 4.412 1.00 0.00 N ATOM 771 NH2 ARG A 47 3.838 -6.395 6.464 1.00 0.00 N ATOM 0 H ARG A 47 7.828 -5.366 3.069 1.00 0.00 H new ATOM 0 HA ARG A 47 6.925 -6.927 5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.246 -7.683 2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.495 -8.835 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.948 -6.481 2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.123 -7.975 1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.014 -7.990 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.079 -9.243 3.505 1.00 0.00 H new ATOM 0 HE ARG A 47 5.561 -7.831 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.779 -6.910 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.038 -5.961 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.612 -6.636 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.077 -5.807 6.804 1.00 0.00 H new ATOM 785 N GLN A 48 10.164 -6.867 4.756 1.00 0.00 N ATOM 786 CA GLN A 48 11.424 -7.232 5.363 1.00 0.00 C ATOM 787 C GLN A 48 11.557 -6.609 6.751 1.00 0.00 C ATOM 788 O GLN A 48 11.947 -7.273 7.699 1.00 0.00 O ATOM 789 CB GLN A 48 12.595 -6.776 4.494 1.00 0.00 C ATOM 790 CG GLN A 48 13.944 -7.256 5.005 1.00 0.00 C ATOM 791 CD GLN A 48 15.110 -6.479 4.433 1.00 0.00 C ATOM 792 OE1 GLN A 48 15.047 -5.958 3.317 1.00 0.00 O ATOM 793 NE2 GLN A 48 16.180 -6.393 5.193 1.00 0.00 N ATOM 0 H GLN A 48 10.240 -6.234 3.960 1.00 0.00 H new ATOM 0 HA GLN A 48 11.445 -8.318 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.448 -7.141 3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.599 -5.687 4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.962 -7.178 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.064 -8.311 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.191 -6.839 6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.999 -5.881 4.865 1.00 0.00 H new ATOM 802 N LEU A 49 11.216 -5.337 6.860 1.00 0.00 N ATOM 803 CA LEU A 49 11.375 -4.610 8.113 1.00 0.00 C ATOM 804 C LEU A 49 10.339 -4.993 9.174 1.00 0.00 C ATOM 805 O LEU A 49 10.698 -5.324 10.304 1.00 0.00 O ATOM 806 CB LEU A 49 11.332 -3.102 7.864 1.00 0.00 C ATOM 807 CG LEU A 49 12.454 -2.534 6.991 1.00 0.00 C ATOM 808 CD1 LEU A 49 12.254 -1.044 6.772 1.00 0.00 C ATOM 809 CD2 LEU A 49 13.813 -2.800 7.624 1.00 0.00 C ATOM 0 H LEU A 49 10.827 -4.783 6.097 1.00 0.00 H new ATOM 0 HA LEU A 49 12.350 -4.894 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.377 -2.858 7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.356 -2.594 8.828 1.00 0.00 H new ATOM 0 HG LEU A 49 12.422 -3.034 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.060 -0.656 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.299 -0.874 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.259 -0.531 7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.597 -2.389 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.856 -2.327 8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.960 -3.875 7.732 1.00 0.00 H new ATOM 821 N PHE A 50 9.069 -4.979 8.804 1.00 0.00 N ATOM 822 CA PHE A 50 7.988 -5.201 9.769 1.00 0.00 C ATOM 823 C PHE A 50 7.876 -6.661 10.192 1.00 0.00 C ATOM 824 O PHE A 50 7.836 -6.971 11.388 1.00 0.00 O ATOM 825 CB PHE A 50 6.654 -4.712 9.187 1.00 0.00 C ATOM 826 CG PHE A 50 5.487 -4.840 10.130 1.00 0.00 C ATOM 827 CD1 PHE A 50 5.285 -3.905 11.134 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.591 -5.892 10.009 1.00 0.00 C ATOM 829 CE1 PHE A 50 4.213 -4.018 11.999 1.00 0.00 C ATOM 830 CE2 PHE A 50 3.519 -6.010 10.872 1.00 0.00 C ATOM 831 CZ PHE A 50 3.329 -5.072 11.868 1.00 0.00 C ATOM 0 H PHE A 50 8.755 -4.817 7.847 1.00 0.00 H new ATOM 0 HA PHE A 50 8.229 -4.627 10.663 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.759 -3.667 8.896 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.437 -5.276 8.280 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.973 -3.079 11.241 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.733 -6.627 9.231 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.066 -3.283 12.777 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.830 -6.835 10.768 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.491 -5.162 12.543 1.00 0.00 H new ATOM 841 N ASP A 51 7.859 -7.548 9.222 1.00 0.00 N ATOM 842 CA ASP A 51 7.684 -8.974 9.482 1.00 0.00 C ATOM 843 C ASP A 51 8.873 -9.560 10.230 1.00 0.00 C ATOM 844 O ASP A 51 8.744 -10.570 10.918 1.00 0.00 O ATOM 845 CB ASP A 51 7.445 -9.735 8.176 1.00 0.00 C ATOM 846 CG ASP A 51 6.154 -9.326 7.479 1.00 0.00 C ATOM 847 OD1 ASP A 51 5.995 -8.124 7.145 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.303 -10.208 7.238 1.00 0.00 O1- ATOM 0 H ASP A 51 7.965 -7.312 8.235 1.00 0.00 H new ATOM 0 HA ASP A 51 6.806 -9.085 10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.285 -9.564 7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.416 -10.804 8.385 1.00 0.00 H new ATOM 853 N ASN A 52 10.028 -8.924 10.093 1.00 0.00 N ATOM 854 CA ASN A 52 11.246 -9.375 10.768 1.00 0.00 C ATOM 855 C ASN A 52 11.112 -9.268 12.285 1.00 0.00 C ATOM 856 O ASN A 52 11.528 -10.163 13.019 1.00 0.00 O ATOM 857 CB ASN A 52 12.449 -8.552 10.304 1.00 0.00 C ATOM 858 CG ASN A 52 13.738 -8.939 11.003 1.00 0.00 C ATOM 859 OD1 ASN A 52 14.077 -8.389 12.051 1.00 0.00 O ATOM 860 ND2 ASN A 52 14.466 -9.870 10.426 1.00 0.00 N ATOM 0 H ASN A 52 10.152 -8.090 9.519 1.00 0.00 H new ATOM 0 HA ASN A 52 11.398 -10.422 10.506 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.574 -8.677 9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.249 -7.495 10.481 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.348 -10.161 10.847 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.148 -10.301 9.558 1.00 0.00 H new ATOM 867 N ARG A 53 10.524 -8.172 12.747 1.00 0.00 N ATOM 868 CA ARG A 53 10.376 -7.930 14.180 1.00 0.00 C ATOM 869 C ARG A 53 9.272 -8.789 14.779 1.00 0.00 C ATOM 870 O ARG A 53 9.354 -9.184 15.943 1.00 0.00 O ATOM 871 CB ARG A 53 10.111 -6.442 14.473 1.00 0.00 C ATOM 872 CG ARG A 53 11.359 -5.554 14.451 1.00 0.00 C ATOM 873 CD ARG A 53 11.981 -5.476 13.066 1.00 0.00 C ATOM 874 NE ARG A 53 13.202 -4.672 13.053 1.00 0.00 N ATOM 875 CZ ARG A 53 13.994 -4.522 11.989 1.00 0.00 C ATOM 876 NH1 ARG A 53 13.669 -5.082 10.828 1.00 0.00 N ATOM 877 NH2 ARG A 53 15.102 -3.798 12.084 1.00 0.00 N ATOM 0 H ARG A 53 10.142 -7.436 12.153 1.00 0.00 H new ATOM 0 HA ARG A 53 11.319 -8.210 14.650 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.399 -6.063 13.740 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.638 -6.357 15.451 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.096 -4.551 14.787 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.093 -5.944 15.156 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.207 -6.483 12.714 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.260 -5.049 12.369 1.00 0.00 H new ATOM 0 HE ARG A 53 13.466 -4.194 13.914 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.812 -5.629 10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.277 -4.965 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.348 -3.356 12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.707 -3.683 11.271 1.00 0.00 H new ATOM 891 N GLN A 54 8.248 -9.082 13.965 1.00 0.00 N ATOM 892 CA GLN A 54 7.085 -9.889 14.382 1.00 0.00 C ATOM 893 C GLN A 54 6.233 -9.156 15.417 1.00 0.00 C ATOM 894 O GLN A 54 5.174 -8.617 15.087 1.00 0.00 O ATOM 895 CB GLN A 54 7.506 -11.259 14.937 1.00 0.00 C ATOM 896 CG GLN A 54 8.201 -12.163 13.939 1.00 0.00 C ATOM 897 CD GLN A 54 8.564 -13.504 14.545 1.00 0.00 C ATOM 898 OE1 GLN A 54 7.880 -14.001 15.444 1.00 0.00 O ATOM 899 NE2 GLN A 54 9.635 -14.095 14.069 1.00 0.00 N ATOM 0 H GLN A 54 8.200 -8.767 12.996 1.00 0.00 H new ATOM 0 HA GLN A 54 6.487 -10.049 13.485 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.170 -11.102 15.787 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.620 -11.770 15.314 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.552 -12.318 13.077 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.104 -11.674 13.574 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.174 -13.652 13.325 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.928 -14.998 14.443 1.00 0.00 H new ATOM 908 N GLU A 55 6.716 -9.148 16.667 1.00 0.00 N ATOM 909 CA GLU A 55 6.040 -8.520 17.809 1.00 0.00 C ATOM 910 C GLU A 55 4.792 -9.308 18.222 1.00 0.00 C ATOM 911 O GLU A 55 4.664 -9.727 19.372 1.00 0.00 O ATOM 912 CB GLU A 55 5.695 -7.052 17.522 1.00 0.00 C ATOM 913 CG GLU A 55 5.241 -6.279 18.747 1.00 0.00 C ATOM 914 CD GLU A 55 6.287 -6.268 19.843 1.00 0.00 C ATOM 915 OE1 GLU A 55 7.311 -5.570 19.689 1.00 0.00 O ATOM 916 OE2 GLU A 55 6.089 -6.952 20.864 1.00 0.00 O1- ATOM 0 H GLU A 55 7.603 -9.586 16.916 1.00 0.00 H new ATOM 0 HA GLU A 55 6.737 -8.537 18.647 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.569 -6.559 17.096 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.909 -7.014 16.768 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.008 -5.253 18.460 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.321 -6.720 19.131 1.00 0.00 H new ATOM 923 N ALA A 56 3.890 -9.511 17.286 1.00 0.00 N ATOM 924 CA ALA A 56 2.672 -10.255 17.536 1.00 0.00 C ATOM 925 C ALA A 56 2.828 -11.703 17.077 1.00 0.00 C ATOM 926 O ALA A 56 3.936 -12.145 16.758 1.00 0.00 O ATOM 927 CB ALA A 56 1.503 -9.593 16.825 1.00 0.00 C ATOM 0 H ALA A 56 3.979 -9.166 16.330 1.00 0.00 H new ATOM 0 HA ALA A 56 2.474 -10.256 18.608 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.592 -10.159 17.018 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.383 -8.574 17.194 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.695 -9.570 15.752 1.00 0.00 H new ATOM 933 N ALA A 57 1.722 -12.438 17.048 1.00 0.00 N ATOM 934 CA ALA A 57 1.737 -13.825 16.611 1.00 0.00 C ATOM 935 C ALA A 57 2.024 -13.910 15.115 1.00 0.00 C ATOM 936 O ALA A 57 1.673 -13.000 14.358 1.00 0.00 O ATOM 937 CB ALA A 57 0.411 -14.492 16.937 1.00 0.00 C ATOM 0 H ALA A 57 0.802 -12.093 17.323 1.00 0.00 H new ATOM 0 HA ALA A 57 2.531 -14.350 17.143 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.434 -15.530 16.605 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.242 -14.459 18.013 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.396 -13.966 16.427 1.00 0.00 H new ATOM 943 N ASP A 58 2.642 -15.008 14.689 1.00 0.00 N ATOM 944 CA ASP A 58 3.010 -15.184 13.280 1.00 0.00 C ATOM 945 C ASP A 58 1.779 -15.189 12.380 1.00 0.00 C ATOM 946 O ASP A 58 1.810 -14.636 11.283 1.00 0.00 O ATOM 947 CB ASP A 58 3.836 -16.468 13.070 1.00 0.00 C ATOM 948 CG ASP A 58 3.067 -17.733 13.389 1.00 0.00 C ATOM 949 OD1 ASP A 58 2.633 -18.430 12.448 1.00 0.00 O ATOM 950 OD2 ASP A 58 2.887 -18.029 14.581 1.00 0.00 O1- ATOM 0 H ASP A 58 2.899 -15.788 15.293 1.00 0.00 H new ATOM 0 HA ASP A 58 3.631 -14.332 13.002 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.175 -16.508 12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.727 -16.425 13.696 1.00 0.00 H new ATOM 955 N THR A 59 0.692 -15.786 12.852 1.00 0.00 N ATOM 956 CA THR A 59 -0.537 -15.832 12.082 1.00 0.00 C ATOM 957 C THR A 59 -1.122 -14.428 11.908 1.00 0.00 C ATOM 958 O THR A 59 -1.624 -14.085 10.839 1.00 0.00 O ATOM 959 CB THR A 59 -1.574 -16.759 12.739 1.00 0.00 C ATOM 960 OG1 THR A 59 -0.982 -18.045 12.973 1.00 0.00 O ATOM 961 CG2 THR A 59 -2.798 -16.925 11.849 1.00 0.00 C ATOM 0 H THR A 59 0.640 -16.243 13.762 1.00 0.00 H new ATOM 0 HA THR A 59 -0.293 -16.235 11.099 1.00 0.00 H new ATOM 0 HB THR A 59 -1.888 -16.312 13.682 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.641 -18.637 13.393 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.516 -17.585 12.337 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.258 -15.952 11.678 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.498 -17.357 10.894 1.00 0.00 H new ATOM 969 N GLU A 60 -1.026 -13.609 12.952 1.00 0.00 N ATOM 970 CA GLU A 60 -1.523 -12.242 12.886 1.00 0.00 C ATOM 971 C GLU A 60 -0.625 -11.409 11.979 1.00 0.00 C ATOM 972 O GLU A 60 -1.104 -10.601 11.177 1.00 0.00 O ATOM 973 CB GLU A 60 -1.605 -11.620 14.287 1.00 0.00 C ATOM 974 CG GLU A 60 -2.188 -10.213 14.297 1.00 0.00 C ATOM 975 CD GLU A 60 -2.427 -9.682 15.693 1.00 0.00 C ATOM 976 OE1 GLU A 60 -1.634 -8.851 16.168 1.00 0.00 O ATOM 977 OE2 GLU A 60 -3.429 -10.081 16.319 1.00 0.00 O1- ATOM 0 H GLU A 60 -0.611 -13.868 13.847 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.530 -12.257 12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.214 -12.261 14.925 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.606 -11.593 14.722 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.511 -9.541 13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.129 -10.212 13.748 1.00 0.00 H new ATOM 984 N ALA A 61 0.680 -11.634 12.093 1.00 0.00 N ATOM 985 CA ALA A 61 1.653 -10.944 11.265 1.00 0.00 C ATOM 986 C ALA A 61 1.447 -11.302 9.798 1.00 0.00 C ATOM 987 O ALA A 61 1.617 -10.474 8.918 1.00 0.00 O ATOM 988 CB ALA A 61 3.069 -11.293 11.706 1.00 0.00 C ATOM 0 H ALA A 61 1.086 -12.294 12.756 1.00 0.00 H new ATOM 0 HA ALA A 61 1.511 -9.870 11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.786 -10.768 11.075 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.211 -10.993 12.744 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.224 -12.368 11.614 1.00 0.00 H new ATOM 994 N ALA A 62 1.092 -12.544 9.546 1.00 0.00 N ATOM 995 CA ALA A 62 0.810 -12.990 8.196 1.00 0.00 C ATOM 996 C ALA A 62 -0.519 -12.424 7.703 1.00 0.00 C ATOM 997 O ALA A 62 -0.655 -12.057 6.536 1.00 0.00 O ATOM 998 CB ALA A 62 0.791 -14.508 8.133 1.00 0.00 C ATOM 0 H ALA A 62 0.991 -13.266 10.260 1.00 0.00 H new ATOM 0 HA ALA A 62 1.602 -12.621 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.578 -14.827 7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.762 -14.897 8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.019 -14.890 8.801 1.00 0.00 H new ATOM 1004 N LYS A 63 -1.488 -12.333 8.609 1.00 0.00 N ATOM 1005 CA LYS A 63 -2.829 -11.891 8.257 1.00 0.00 C ATOM 1006 C LYS A 63 -2.859 -10.439 7.778 1.00 0.00 C ATOM 1007 O LYS A 63 -3.573 -10.117 6.829 1.00 0.00 O ATOM 1008 CB LYS A 63 -3.805 -12.095 9.424 1.00 0.00 C ATOM 1009 CG LYS A 63 -5.273 -12.016 9.013 1.00 0.00 C ATOM 1010 CD LYS A 63 -5.580 -13.027 7.916 1.00 0.00 C ATOM 1011 CE LYS A 63 -7.025 -12.973 7.468 1.00 0.00 C ATOM 1012 NZ LYS A 63 -7.252 -13.855 6.294 1.00 0.00 N ATOM 0 H LYS A 63 -1.366 -12.561 9.596 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.152 -12.513 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.616 -13.067 9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.609 -11.342 10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.909 -12.206 9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.504 -11.010 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.930 -12.840 7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.352 -14.030 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.675 -13.278 8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.293 -11.947 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.233 -13.749 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.599 -13.590 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.083 -14.845 6.566 1.00 0.00 H new ATOM 1026 N GLN A 64 -2.083 -9.564 8.419 1.00 0.00 N ATOM 1027 CA GLN A 64 -2.056 -8.159 8.006 1.00 0.00 C ATOM 1028 C GLN A 64 -1.520 -8.029 6.583 1.00 0.00 C ATOM 1029 O GLN A 64 -1.981 -7.189 5.807 1.00 0.00 O ATOM 1030 CB GLN A 64 -1.267 -7.275 9.011 1.00 0.00 C ATOM 1031 CG GLN A 64 0.171 -7.714 9.292 1.00 0.00 C ATOM 1032 CD GLN A 64 1.170 -7.265 8.232 1.00 0.00 C ATOM 1033 OE1 GLN A 64 1.019 -6.214 7.609 1.00 0.00 O ATOM 1034 NE2 GLN A 64 2.188 -8.067 8.016 1.00 0.00 N ATOM 0 H GLN A 64 -1.478 -9.794 9.207 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.081 -7.787 8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.248 -6.253 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.812 -7.254 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.479 -7.318 10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.201 -8.801 9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.280 -8.930 8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.886 -7.827 7.312 1.00 0.00 H new ATOM 1043 N GLY A 65 -0.558 -8.879 6.245 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.030 -8.903 4.904 1.00 0.00 C ATOM 1045 C GLY A 65 -1.040 -9.471 3.936 1.00 0.00 C ATOM 1046 O GLY A 65 -1.233 -8.944 2.846 1.00 0.00 O ATOM 0 H GLY A 65 -0.136 -9.553 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.244 -7.893 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.881 -9.502 4.878 1.00 0.00 H new ATOM 1050 N ASP A 66 -1.711 -10.531 4.371 1.00 0.00 N ATOM 1051 CA ASP A 66 -2.718 -11.229 3.567 1.00 0.00 C ATOM 1052 C ASP A 66 -3.872 -10.308 3.184 1.00 0.00 C ATOM 1053 O ASP A 66 -4.344 -10.330 2.041 1.00 0.00 O ATOM 1054 CB ASP A 66 -3.252 -12.434 4.353 1.00 0.00 C ATOM 1055 CG ASP A 66 -4.529 -13.008 3.777 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -4.457 -13.732 2.762 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -5.613 -12.753 4.350 1.00 0.00 O1- ATOM 0 H ASP A 66 -1.574 -10.936 5.297 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.243 -11.565 2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.489 -13.212 4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.430 -12.135 5.386 1.00 0.00 H new ATOM 1062 N GLN A 67 -4.307 -9.490 4.127 1.00 0.00 N ATOM 1063 CA GLN A 67 -5.401 -8.557 3.884 1.00 0.00 C ATOM 1064 C GLN A 67 -4.997 -7.497 2.871 1.00 0.00 C ATOM 1065 O GLN A 67 -5.793 -7.103 2.015 1.00 0.00 O ATOM 1066 CB GLN A 67 -5.852 -7.904 5.189 1.00 0.00 C ATOM 1067 CG GLN A 67 -6.469 -8.881 6.176 1.00 0.00 C ATOM 1068 CD GLN A 67 -7.706 -9.558 5.622 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -8.823 -9.067 5.787 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -7.520 -10.687 4.963 1.00 0.00 N ATOM 0 H GLN A 67 -3.921 -9.451 5.070 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.238 -9.120 3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.996 -7.419 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.577 -7.122 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.732 -9.639 6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.728 -8.352 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.578 -11.061 4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.318 -11.185 4.569 1.00 0.00 H new ATOM 1079 N TRP A 68 -3.754 -7.050 2.959 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.242 -6.059 2.049 1.00 0.00 C ATOM 1081 C TRP A 68 -3.122 -6.639 0.641 1.00 0.00 C ATOM 1082 O TRP A 68 -3.442 -5.974 -0.346 1.00 0.00 O ATOM 1083 CB TRP A 68 -1.900 -5.543 2.553 1.00 0.00 C ATOM 1084 CG TRP A 68 -1.218 -4.612 1.613 1.00 0.00 C ATOM 1085 CD1 TRP A 68 0.011 -4.778 1.073 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -1.728 -3.378 1.093 1.00 0.00 C ATOM 1087 NE1 TRP A 68 0.316 -3.720 0.256 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -0.739 -2.847 0.249 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -2.923 -2.670 1.262 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -0.903 -1.643 -0.423 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.085 -1.475 0.591 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.080 -0.973 -0.242 1.00 0.00 C ATOM 0 H TRP A 68 -3.083 -7.366 3.660 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.936 -5.220 2.002 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.052 -5.035 3.505 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.245 -6.393 2.746 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.659 -5.622 1.259 1.00 0.00 H new ATOM 0 HE1 TRP A 68 1.187 -3.602 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.703 -3.051 1.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.129 -1.250 -1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.003 -0.918 0.711 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.238 -0.035 -0.754 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.681 -7.893 0.559 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.556 -8.580 -0.723 1.00 0.00 C ATOM 1105 C VAL A 69 -3.914 -8.681 -1.407 1.00 0.00 C ATOM 1106 O VAL A 69 -4.019 -8.516 -2.620 1.00 0.00 O ATOM 1107 CB VAL A 69 -1.955 -10.001 -0.565 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.875 -10.709 -1.912 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -0.579 -9.930 0.070 1.00 0.00 C ATOM 0 H VAL A 69 -2.405 -8.453 1.365 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.876 -7.989 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.613 -10.574 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.450 -11.704 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.875 -10.796 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.242 -10.134 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.173 -10.936 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.082 -9.335 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.656 -9.468 1.054 1.00 0.00 H new ATOM 1119 N GLN A 70 -4.956 -8.930 -0.618 1.00 0.00 N ATOM 1120 CA GLN A 70 -6.305 -9.045 -1.150 1.00 0.00 C ATOM 1121 C GLN A 70 -6.732 -7.726 -1.792 1.00 0.00 C ATOM 1122 O GLN A 70 -7.311 -7.710 -2.881 1.00 0.00 O ATOM 1123 CB GLN A 70 -7.288 -9.435 -0.043 1.00 0.00 C ATOM 1124 CG GLN A 70 -8.694 -9.716 -0.547 1.00 0.00 C ATOM 1125 CD GLN A 70 -9.676 -10.005 0.572 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -9.551 -9.483 1.681 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -10.657 -10.839 0.292 1.00 0.00 N ATOM 0 H GLN A 70 -4.889 -9.056 0.392 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.312 -9.826 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.912 -10.320 0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.329 -8.633 0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.047 -8.859 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.667 -10.566 -1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.726 -11.251 -0.639 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.347 -11.073 1.006 1.00 0.00 H new ATOM 1136 N LEU A 71 -6.428 -6.620 -1.120 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.747 -5.298 -1.645 1.00 0.00 C ATOM 1138 C LEU A 71 -5.934 -4.998 -2.896 1.00 0.00 C ATOM 1139 O LEU A 71 -6.467 -4.495 -3.884 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.511 -4.215 -0.587 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.599 -4.081 0.481 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -7.168 -3.105 1.560 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -8.902 -3.616 -0.150 1.00 0.00 C ATOM 0 H LEU A 71 -5.962 -6.613 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.804 -5.295 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.563 -4.420 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.405 -3.256 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.756 -5.059 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.954 -3.022 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.253 -3.464 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.987 -2.127 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.667 -3.525 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.750 -2.648 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.224 -4.342 -0.897 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.648 -5.324 -2.853 1.00 0.00 N ATOM 1156 CA PHE A 72 -3.761 -5.099 -3.987 1.00 0.00 C ATOM 1157 C PHE A 72 -4.208 -5.929 -5.193 1.00 0.00 C ATOM 1158 O PHE A 72 -4.239 -5.437 -6.323 1.00 0.00 O ATOM 1159 CB PHE A 72 -2.313 -5.440 -3.609 1.00 0.00 C ATOM 1160 CG PHE A 72 -1.309 -5.104 -4.678 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -0.823 -3.812 -4.807 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -0.852 -6.078 -5.553 1.00 0.00 C ATOM 1163 CE1 PHE A 72 0.099 -3.498 -5.788 1.00 0.00 C ATOM 1164 CE2 PHE A 72 0.069 -5.769 -6.536 1.00 0.00 C ATOM 1165 CZ PHE A 72 0.545 -4.478 -6.653 1.00 0.00 C ATOM 0 H PHE A 72 -4.195 -5.746 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.810 -4.045 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.050 -4.905 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.247 -6.505 -3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.169 -3.042 -4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.220 -7.090 -5.465 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.470 -2.488 -5.878 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.416 -6.536 -7.212 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.265 -4.235 -7.420 1.00 0.00 H new ATOM 1175 N GLN A 73 -4.564 -7.184 -4.940 1.00 0.00 N ATOM 1176 CA GLN A 73 -5.025 -8.084 -5.989 1.00 0.00 C ATOM 1177 C GLN A 73 -6.311 -7.557 -6.616 1.00 0.00 C ATOM 1178 O GLN A 73 -6.449 -7.523 -7.838 1.00 0.00 O ATOM 1179 CB GLN A 73 -5.259 -9.480 -5.415 1.00 0.00 C ATOM 1180 CG GLN A 73 -5.688 -10.515 -6.442 1.00 0.00 C ATOM 1181 CD GLN A 73 -5.996 -11.854 -5.811 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -5.423 -12.219 -4.783 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -6.900 -12.594 -6.413 1.00 0.00 N ATOM 0 H GLN A 73 -4.541 -7.603 -4.010 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.258 -8.140 -6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.342 -9.821 -4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.022 -9.418 -4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.569 -10.154 -6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.898 -10.638 -7.183 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.352 -12.256 -7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.150 -13.506 -6.031 1.00 0.00 H new ATOM 1192 N ARG A 74 -7.239 -7.130 -5.768 1.00 0.00 N ATOM 1193 CA ARG A 74 -8.511 -6.580 -6.224 1.00 0.00 C ATOM 1194 C ARG A 74 -8.283 -5.298 -7.029 1.00 0.00 C ATOM 1195 O ARG A 74 -8.956 -5.052 -8.033 1.00 0.00 O ATOM 1196 CB ARG A 74 -9.430 -6.313 -5.022 1.00 0.00 C ATOM 1197 CG ARG A 74 -10.750 -5.641 -5.371 1.00 0.00 C ATOM 1198 CD ARG A 74 -11.622 -5.470 -4.135 1.00 0.00 C ATOM 1199 NE ARG A 74 -12.741 -4.554 -4.371 1.00 0.00 N ATOM 1200 CZ ARG A 74 -13.131 -3.610 -3.505 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -12.572 -3.535 -2.300 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -14.095 -2.760 -3.831 1.00 0.00 N ATOM 0 H ARG A 74 -7.134 -7.154 -4.754 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.995 -7.307 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.640 -7.260 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.897 -5.688 -4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.558 -4.667 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.280 -6.237 -6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.008 -6.442 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.014 -5.094 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.254 -4.641 -5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.844 -4.198 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.871 -2.815 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.543 -2.823 -4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.388 -2.043 -3.168 1.00 0.00 H new ATOM 1216 N PHE A 75 -7.320 -4.498 -6.590 1.00 0.00 N ATOM 1217 CA PHE A 75 -6.978 -3.260 -7.271 1.00 0.00 C ATOM 1218 C PHE A 75 -6.386 -3.559 -8.647 1.00 0.00 C ATOM 1219 O PHE A 75 -6.787 -2.968 -9.651 1.00 0.00 O ATOM 1220 CB PHE A 75 -5.991 -2.445 -6.420 1.00 0.00 C ATOM 1221 CG PHE A 75 -5.657 -1.088 -6.983 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -6.605 -0.079 -6.999 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -4.392 -0.821 -7.483 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -6.302 1.170 -7.505 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -4.083 0.426 -7.992 1.00 0.00 C ATOM 1226 CZ PHE A 75 -5.039 1.423 -8.002 1.00 0.00 C ATOM 0 H PHE A 75 -6.759 -4.688 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.884 -2.670 -7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.410 -2.318 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.069 -3.016 -6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.594 -0.271 -6.611 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.640 -1.596 -7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.052 1.947 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.095 0.621 -8.382 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.799 2.399 -8.398 1.00 0.00 H new ATOM 1236 N ARG A 76 -5.452 -4.500 -8.684 1.00 0.00 N ATOM 1237 CA ARG A 76 -4.805 -4.906 -9.927 1.00 0.00 C ATOM 1238 C ARG A 76 -5.833 -5.523 -10.877 1.00 0.00 C ATOM 1239 O ARG A 76 -5.778 -5.313 -12.093 1.00 0.00 O ATOM 1240 CB ARG A 76 -3.663 -5.908 -9.617 1.00 0.00 C ATOM 1241 CG ARG A 76 -2.737 -6.258 -10.798 1.00 0.00 C ATOM 1242 CD ARG A 76 -3.382 -7.240 -11.776 1.00 0.00 C ATOM 1243 NE ARG A 76 -3.849 -8.456 -11.104 1.00 0.00 N ATOM 1244 CZ ARG A 76 -4.947 -9.134 -11.447 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -5.654 -8.764 -12.506 1.00 0.00 N ATOM 1246 NH2 ARG A 76 -5.322 -10.193 -10.738 1.00 0.00 N ATOM 0 H ARG A 76 -5.122 -5.001 -7.859 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.375 -4.031 -10.416 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.054 -5.497 -8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.107 -6.830 -9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.469 -5.344 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.811 -6.687 -10.415 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.222 -6.756 -12.275 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.662 -7.507 -12.550 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.298 -8.808 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.359 -7.960 -13.060 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.492 -9.283 -12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.771 -10.488 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.161 -10.711 -11.000 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.773 -6.270 -10.312 1.00 0.00 N ATOM 1261 CA GLU A 77 -7.802 -6.940 -11.092 1.00 0.00 C ATOM 1262 C GLU A 77 -8.643 -5.930 -11.863 1.00 0.00 C ATOM 1263 O GLU A 77 -8.893 -6.097 -13.057 1.00 0.00 O ATOM 1264 CB GLU A 77 -8.697 -7.784 -10.181 1.00 0.00 C ATOM 1265 CG GLU A 77 -9.489 -8.847 -10.919 1.00 0.00 C ATOM 1266 CD GLU A 77 -8.590 -9.875 -11.572 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -8.306 -10.912 -10.939 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -8.146 -9.648 -12.714 1.00 0.00 O1- ATOM 0 H GLU A 77 -6.843 -6.427 -9.307 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.310 -7.596 -11.809 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.078 -8.265 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.390 -7.126 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.163 -9.346 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.110 -8.373 -11.680 1.00 0.00 H new ATOM 1275 N ALA A 78 -9.055 -4.870 -11.180 1.00 0.00 N ATOM 1276 CA ALA A 78 -9.862 -3.832 -11.800 1.00 0.00 C ATOM 1277 C ALA A 78 -9.089 -3.128 -12.912 1.00 0.00 C ATOM 1278 O ALA A 78 -9.659 -2.767 -13.944 1.00 0.00 O ATOM 1279 CB ALA A 78 -10.333 -2.834 -10.758 1.00 0.00 C ATOM 0 H ALA A 78 -8.842 -4.708 -10.196 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.737 -4.303 -12.248 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.936 -2.063 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.933 -3.348 -10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.469 -2.373 -10.279 1.00 0.00 H new ATOM 1285 N ILE A 79 -7.785 -2.947 -12.700 1.00 0.00 N ATOM 1286 CA ILE A 79 -6.925 -2.316 -13.698 1.00 0.00 C ATOM 1287 C ILE A 79 -6.823 -3.194 -14.941 1.00 0.00 C ATOM 1288 O ILE A 79 -6.933 -2.711 -16.069 1.00 0.00 O ATOM 1289 CB ILE A 79 -5.495 -2.059 -13.147 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -5.543 -1.130 -11.932 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -4.597 -1.467 -14.234 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -4.188 -0.873 -11.305 1.00 0.00 C ATOM 0 H ILE A 79 -7.303 -3.229 -11.846 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.378 -1.358 -13.952 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.075 -3.015 -12.834 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.981 -0.178 -12.231 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.204 -1.563 -11.181 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.600 -1.294 -13.828 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.533 -2.162 -15.071 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.017 -0.522 -14.578 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.303 -0.206 -10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.756 -1.817 -10.973 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.529 -0.410 -12.040 1.00 0.00 H new ATOM 1304 N ASP A 80 -6.629 -4.489 -14.724 1.00 0.00 N ATOM 1305 CA ASP A 80 -6.503 -5.443 -15.824 1.00 0.00 C ATOM 1306 C ASP A 80 -7.813 -5.581 -16.585 1.00 0.00 C ATOM 1307 O ASP A 80 -7.819 -5.771 -17.805 1.00 0.00 O ATOM 1308 CB ASP A 80 -6.045 -6.812 -15.308 1.00 0.00 C ATOM 1309 CG ASP A 80 -5.947 -7.846 -16.414 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -4.987 -7.784 -17.210 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -6.828 -8.724 -16.492 1.00 0.00 O1- ATOM 0 H ASP A 80 -6.555 -4.905 -13.796 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.748 -5.058 -16.510 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.073 -6.708 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.743 -7.163 -14.548 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.918 -5.478 -15.865 1.00 0.00 N ATOM 1317 CA LYS A 81 -10.236 -5.569 -16.462 1.00 0.00 C ATOM 1318 C LYS A 81 -10.607 -4.254 -17.164 1.00 0.00 C ATOM 1319 O LYS A 81 -11.533 -4.210 -17.980 1.00 0.00 O ATOM 1320 CB LYS A 81 -11.256 -5.892 -15.365 1.00 0.00 C ATOM 1321 CG LYS A 81 -12.702 -5.856 -15.813 1.00 0.00 C ATOM 1322 CD LYS A 81 -13.636 -6.026 -14.638 1.00 0.00 C ATOM 1323 CE LYS A 81 -15.082 -5.760 -15.032 1.00 0.00 C ATOM 1324 NZ LYS A 81 -15.549 -6.670 -16.105 1.00 0.00 N ATOM 0 H LYS A 81 -8.925 -5.330 -14.856 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.238 -6.360 -17.212 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.038 -6.883 -14.966 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.126 -5.183 -14.547 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.908 -4.909 -16.312 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.881 -6.647 -16.542 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.546 -7.038 -14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.344 -5.345 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.722 -5.875 -14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.181 -4.727 -15.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.569 -6.533 -16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.036 -6.461 -16.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.370 -7.656 -15.826 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.856 -3.197 -16.864 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.134 -1.899 -17.446 1.00 0.00 C ATOM 1340 C GLY A 82 -11.422 -1.312 -16.913 1.00 0.00 C ATOM 1341 O GLY A 82 -12.124 -0.581 -17.615 1.00 0.00 O ATOM 0 H GLY A 82 -9.059 -3.219 -16.227 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.309 -1.220 -17.232 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.198 -1.992 -18.530 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.735 -1.631 -15.669 1.00 0.00 N ATOM 1346 CA ASP A 83 -12.967 -1.172 -15.059 1.00 0.00 C ATOM 1347 C ASP A 83 -12.721 0.014 -14.145 1.00 0.00 C ATOM 1348 O ASP A 83 -12.327 -0.144 -12.987 1.00 0.00 O ATOM 1349 CB ASP A 83 -13.653 -2.299 -14.293 1.00 0.00 C ATOM 1350 CG ASP A 83 -14.990 -1.872 -13.729 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -15.944 -1.723 -14.507 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -15.091 -1.686 -12.509 1.00 0.00 O1- ATOM 0 H ASP A 83 -11.151 -2.207 -15.062 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.629 -0.850 -15.863 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.795 -3.153 -14.956 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.006 -2.630 -13.480 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.943 1.203 -14.677 1.00 0.00 N ATOM 1358 CA LYS A 84 -12.746 2.436 -13.930 1.00 0.00 C ATOM 1359 C LYS A 84 -13.756 2.562 -12.801 1.00 0.00 C ATOM 1360 O LYS A 84 -13.499 3.238 -11.806 1.00 0.00 O ATOM 1361 CB LYS A 84 -12.837 3.649 -14.850 1.00 0.00 C ATOM 1362 CG LYS A 84 -11.819 3.648 -15.977 1.00 0.00 C ATOM 1363 CD LYS A 84 -11.947 4.893 -16.838 1.00 0.00 C ATOM 1364 CE LYS A 84 -11.453 6.141 -16.115 1.00 0.00 C ATOM 1365 NZ LYS A 84 -9.980 6.124 -15.919 1.00 0.00 N ATOM 0 H LYS A 84 -13.264 1.343 -15.635 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.747 2.400 -13.495 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.838 3.693 -15.279 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.705 4.553 -14.256 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.813 3.593 -15.561 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.958 2.760 -16.594 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.378 4.758 -17.758 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.990 5.029 -17.125 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.733 7.026 -16.687 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.947 6.218 -15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.657 7.069 -15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.736 5.434 -15.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.514 5.857 -16.810 1.00 0.00 H new ATOM 1379 N ASP A 85 -14.903 1.904 -12.960 1.00 0.00 N ATOM 1380 CA ASP A 85 -15.961 1.944 -11.950 1.00 0.00 C ATOM 1381 C ASP A 85 -15.444 1.433 -10.612 1.00 0.00 C ATOM 1382 O ASP A 85 -15.616 2.084 -9.579 1.00 0.00 O ATOM 1383 CB ASP A 85 -17.165 1.111 -12.409 1.00 0.00 C ATOM 1384 CG ASP A 85 -18.227 0.960 -11.334 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -18.914 1.954 -11.022 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -18.396 -0.165 -10.814 1.00 0.00 O1- ATOM 0 H ASP A 85 -15.124 1.337 -13.778 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.279 2.979 -11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.609 1.578 -13.288 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.821 0.123 -12.713 1.00 0.00 H new ATOM 1391 N SER A 86 -14.790 0.283 -10.634 1.00 0.00 N ATOM 1392 CA SER A 86 -14.208 -0.268 -9.429 1.00 0.00 C ATOM 1393 C SER A 86 -12.997 0.549 -8.998 1.00 0.00 C ATOM 1394 O SER A 86 -12.788 0.765 -7.817 1.00 0.00 O ATOM 1395 CB SER A 86 -13.818 -1.730 -9.633 1.00 0.00 C ATOM 1396 OG SER A 86 -14.930 -2.488 -10.079 1.00 0.00 O ATOM 0 H SER A 86 -14.651 -0.283 -11.471 1.00 0.00 H new ATOM 0 HA SER A 86 -14.958 -0.221 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.010 -1.798 -10.361 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.440 -2.145 -8.698 1.00 0.00 H new ATOM 0 HG SER A 86 -15.074 -2.326 -11.035 1.00 0.00 H new ATOM 1402 N LEU A 87 -12.223 1.031 -9.973 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.012 1.811 -9.688 1.00 0.00 C ATOM 1404 C LEU A 87 -11.334 3.065 -8.887 1.00 0.00 C ATOM 1405 O LEU A 87 -10.653 3.376 -7.912 1.00 0.00 O ATOM 1406 CB LEU A 87 -10.293 2.196 -10.987 1.00 0.00 C ATOM 1407 CG LEU A 87 -9.703 1.038 -11.790 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -9.072 1.542 -13.078 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -8.678 0.291 -10.962 1.00 0.00 C ATOM 0 H LEU A 87 -12.411 0.896 -10.966 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.354 1.180 -9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.996 2.733 -11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.489 2.890 -10.743 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.512 0.354 -12.048 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.658 0.701 -13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.829 2.040 -13.684 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.275 2.247 -12.841 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.267 -0.531 -11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.875 0.971 -10.677 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.154 -0.105 -10.065 1.00 0.00 H new ATOM 1421 N GLU A 88 -12.376 3.769 -9.295 1.00 0.00 N ATOM 1422 CA GLU A 88 -12.789 4.990 -8.619 1.00 0.00 C ATOM 1423 C GLU A 88 -13.175 4.707 -7.162 1.00 0.00 C ATOM 1424 O GLU A 88 -12.841 5.477 -6.257 1.00 0.00 O ATOM 1425 CB GLU A 88 -13.947 5.645 -9.375 1.00 0.00 C ATOM 1426 CG GLU A 88 -14.427 6.945 -8.763 1.00 0.00 C ATOM 1427 CD GLU A 88 -15.368 7.698 -9.668 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -14.922 8.674 -10.313 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -16.558 7.319 -9.748 1.00 0.00 O1- ATOM 0 H GLU A 88 -12.955 3.515 -10.095 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.947 5.682 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.636 5.832 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.782 4.945 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.928 6.734 -7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.567 7.574 -8.534 1.00 0.00 H new ATOM 1436 N GLN A 89 -13.876 3.604 -6.945 1.00 0.00 N ATOM 1437 CA GLN A 89 -14.267 3.194 -5.599 1.00 0.00 C ATOM 1438 C GLN A 89 -13.047 2.723 -4.810 1.00 0.00 C ATOM 1439 O GLN A 89 -12.885 3.043 -3.628 1.00 0.00 O ATOM 1440 CB GLN A 89 -15.306 2.076 -5.669 1.00 0.00 C ATOM 1441 CG GLN A 89 -16.594 2.476 -6.365 1.00 0.00 C ATOM 1442 CD GLN A 89 -17.334 3.579 -5.635 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -17.114 4.764 -5.885 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -18.213 3.197 -4.729 1.00 0.00 N ATOM 0 H GLN A 89 -14.188 2.974 -7.684 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.704 4.053 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.873 1.223 -6.191 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.539 1.746 -4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.367 2.805 -7.379 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -17.242 1.604 -6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -18.365 2.204 -4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -18.741 3.895 -4.205 1.00 0.00 H new ATOM 1453 N LEU A 90 -12.185 1.982 -5.492 1.00 0.00 N ATOM 1454 CA LEU A 90 -10.973 1.429 -4.907 1.00 0.00 C ATOM 1455 C LEU A 90 -10.045 2.506 -4.394 1.00 0.00 C ATOM 1456 O LEU A 90 -9.378 2.310 -3.395 1.00 0.00 O ATOM 1457 CB LEU A 90 -10.242 0.549 -5.915 1.00 0.00 C ATOM 1458 CG LEU A 90 -10.836 -0.840 -6.133 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -10.252 -1.473 -7.379 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.576 -1.719 -4.921 1.00 0.00 C ATOM 0 H LEU A 90 -12.309 1.746 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.280 0.822 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.218 1.068 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.208 0.435 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.913 -0.742 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.685 -2.463 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.479 -0.850 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.171 -1.562 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.005 -2.707 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.502 -1.812 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.035 -1.270 -4.040 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.002 3.641 -5.077 1.00 0.00 N ATOM 1473 CA LEU A 91 -9.127 4.734 -4.669 1.00 0.00 C ATOM 1474 C LEU A 91 -9.439 5.179 -3.242 1.00 0.00 C ATOM 1475 O LEU A 91 -8.531 5.454 -2.463 1.00 0.00 O ATOM 1476 CB LEU A 91 -9.250 5.922 -5.631 1.00 0.00 C ATOM 1477 CG LEU A 91 -8.744 5.684 -7.059 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -8.989 6.911 -7.921 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -7.262 5.322 -7.054 1.00 0.00 C ATOM 0 H LEU A 91 -10.558 3.830 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.101 4.367 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.298 6.216 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.703 6.765 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.298 4.847 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.624 6.725 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.057 7.124 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.462 7.765 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.924 5.157 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.690 6.136 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.111 4.413 -6.472 1.00 0.00 H new ATOM 1491 N GLU A 92 -10.721 5.222 -2.900 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.133 5.607 -1.557 1.00 0.00 C ATOM 1493 C GLU A 92 -10.777 4.520 -0.546 1.00 0.00 C ATOM 1494 O GLU A 92 -10.256 4.809 0.533 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.626 5.895 -1.514 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.050 7.052 -2.396 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.517 7.362 -2.263 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.882 8.176 -1.389 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.319 6.787 -3.024 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.490 4.996 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.595 6.517 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.168 5.000 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.916 6.109 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.469 7.937 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.823 6.816 -3.436 1.00 0.00 H new ATOM 1506 N GLU A 93 -11.051 3.266 -0.905 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.730 2.136 -0.037 1.00 0.00 C ATOM 1508 C GLU A 93 -9.229 2.038 0.171 1.00 0.00 C ATOM 1509 O GLU A 93 -8.758 1.773 1.277 1.00 0.00 O ATOM 1510 CB GLU A 93 -11.260 0.828 -0.622 1.00 0.00 C ATOM 1511 CG GLU A 93 -12.776 0.709 -0.603 1.00 0.00 C ATOM 1512 CD GLU A 93 -13.253 -0.654 -1.050 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -12.937 -1.653 -0.367 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -13.950 -0.740 -2.075 1.00 0.00 O1- ATOM 0 H GLU A 93 -11.493 3.009 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.213 2.304 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.912 0.735 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.834 -0.006 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.140 0.906 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.206 1.472 -1.252 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.492 2.264 -0.903 1.00 0.00 N ATOM 1522 CA LEU A 94 -7.044 2.240 -0.880 1.00 0.00 C ATOM 1523 C LEU A 94 -6.517 3.351 0.015 1.00 0.00 C ATOM 1524 O LEU A 94 -5.632 3.129 0.831 1.00 0.00 O ATOM 1525 CB LEU A 94 -6.502 2.410 -2.303 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.984 2.369 -2.461 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -4.441 0.996 -2.102 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -4.594 2.747 -3.880 1.00 0.00 C ATOM 0 H LEU A 94 -8.887 2.470 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.710 1.282 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.932 1.627 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.860 3.362 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.545 3.094 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.358 0.990 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.693 0.764 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.883 0.247 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.509 2.714 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.045 2.044 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.948 3.754 -4.099 1.00 0.00 H new ATOM 1540 N GLU A 95 -7.088 4.543 -0.141 1.00 0.00 N ATOM 1541 CA GLU A 95 -6.706 5.705 0.659 1.00 0.00 C ATOM 1542 C GLU A 95 -6.853 5.399 2.148 1.00 0.00 C ATOM 1543 O GLU A 95 -5.936 5.633 2.940 1.00 0.00 O ATOM 1544 CB GLU A 95 -7.592 6.899 0.276 1.00 0.00 C ATOM 1545 CG GLU A 95 -7.362 8.151 1.103 1.00 0.00 C ATOM 1546 CD GLU A 95 -5.968 8.705 0.951 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -5.654 9.246 -0.131 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -5.183 8.621 1.913 1.00 0.00 O1- ATOM 0 H GLU A 95 -7.824 4.731 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.662 5.948 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.423 7.137 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.637 6.604 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.084 8.912 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.546 7.926 2.153 1.00 0.00 H new ATOM 1555 N GLN A 96 -7.993 4.836 2.512 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.269 4.489 3.864 1.00 0.00 C ATOM 1557 C GLN A 96 -7.348 3.362 4.332 1.00 0.00 C ATOM 1558 O GLN A 96 -6.864 3.374 5.462 1.00 0.00 O ATOM 1559 CB GLN A 96 -9.724 4.083 3.969 1.00 0.00 C ATOM 1560 CG GLN A 96 -10.139 3.631 5.331 1.00 0.00 C ATOM 1561 CD GLN A 96 -9.911 4.682 6.402 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -9.965 5.885 6.137 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -9.664 4.238 7.614 1.00 0.00 N ATOM 0 H GLN A 96 -8.746 4.612 1.862 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.084 5.346 4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.347 4.927 3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.917 3.280 3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.195 3.363 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.586 2.729 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.628 3.234 7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.509 4.897 8.377 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.096 2.406 3.448 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.231 1.279 3.759 1.00 0.00 C ATOM 1574 C ALA A 97 -4.811 1.745 4.043 1.00 0.00 C ATOM 1575 O ALA A 97 -4.169 1.263 4.968 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.238 0.272 2.621 1.00 0.00 C ATOM 0 H ALA A 97 -7.482 2.390 2.504 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.617 0.795 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.585 -0.564 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.253 -0.094 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.881 0.751 1.709 1.00 0.00 H new ATOM 1582 N LEU A 98 -4.338 2.700 3.253 1.00 0.00 N ATOM 1583 CA LEU A 98 -2.989 3.237 3.411 1.00 0.00 C ATOM 1584 C LEU A 98 -2.836 3.912 4.762 1.00 0.00 C ATOM 1585 O LEU A 98 -1.838 3.714 5.463 1.00 0.00 O ATOM 1586 CB LEU A 98 -2.696 4.241 2.304 1.00 0.00 C ATOM 1587 CG LEU A 98 -2.701 3.686 0.887 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -2.536 4.809 -0.118 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -1.606 2.645 0.719 1.00 0.00 C ATOM 0 H LEU A 98 -4.870 3.122 2.492 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.281 2.410 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.432 5.043 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.721 4.689 2.495 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.660 3.201 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.541 4.398 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.358 5.517 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.590 5.321 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.624 2.259 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.636 3.102 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.771 1.827 1.420 1.00 0.00 H new ATOM 1601 N GLN A 99 -3.837 4.693 5.131 1.00 0.00 N ATOM 1602 CA GLN A 99 -3.845 5.369 6.413 1.00 0.00 C ATOM 1603 C GLN A 99 -3.930 4.347 7.532 1.00 0.00 C ATOM 1604 O GLN A 99 -3.263 4.468 8.552 1.00 0.00 O ATOM 1605 CB GLN A 99 -5.027 6.331 6.491 1.00 0.00 C ATOM 1606 CG GLN A 99 -4.978 7.446 5.463 1.00 0.00 C ATOM 1607 CD GLN A 99 -6.224 8.302 5.477 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -6.873 8.459 6.512 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -6.571 8.854 4.334 1.00 0.00 N ATOM 0 H GLN A 99 -4.659 4.874 4.555 1.00 0.00 H new ATOM 0 HA GLN A 99 -2.922 5.939 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.951 5.768 6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.061 6.770 7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.108 8.074 5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.848 7.015 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -6.005 8.698 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.406 9.438 4.282 1.00 0.00 H new ATOM 1618 N LYS A 100 -4.745 3.330 7.307 1.00 0.00 N ATOM 1619 CA LYS A 100 -4.951 2.255 8.263 1.00 0.00 C ATOM 1620 C LYS A 100 -3.646 1.494 8.520 1.00 0.00 C ATOM 1621 O LYS A 100 -3.306 1.206 9.666 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.027 1.308 7.727 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.532 0.278 8.719 1.00 0.00 C ATOM 1624 CD LYS A 100 -7.654 -0.540 8.104 1.00 0.00 C ATOM 1625 CE LYS A 100 -8.263 -1.508 9.099 1.00 0.00 C ATOM 1626 NZ LYS A 100 -9.392 -2.262 8.500 1.00 0.00 N ATOM 0 H LYS A 100 -5.287 3.226 6.449 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.279 2.679 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.873 1.903 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.629 0.786 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.716 -0.379 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.888 0.776 9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.428 0.130 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.271 -1.094 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.500 -2.206 9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.613 -0.960 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.787 -2.915 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.130 -1.597 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.052 -2.803 7.680 1.00 0.00 H new ATOM 1640 N ILE A 101 -2.918 1.179 7.448 1.00 0.00 N ATOM 1641 CA ILE A 101 -1.641 0.471 7.565 1.00 0.00 C ATOM 1642 C ILE A 101 -0.635 1.302 8.352 1.00 0.00 C ATOM 1643 O ILE A 101 0.031 0.796 9.258 1.00 0.00 O ATOM 1644 CB ILE A 101 -1.037 0.131 6.175 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -1.961 -0.811 5.401 1.00 0.00 C ATOM 1646 CG2 ILE A 101 0.352 -0.492 6.326 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -1.475 -1.124 4.001 1.00 0.00 C ATOM 0 H ILE A 101 -3.189 1.402 6.490 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.845 -0.461 8.092 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.939 1.059 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.064 -1.743 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.953 -0.364 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.757 -0.722 5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.013 0.210 6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.278 -1.409 6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.180 -1.797 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.399 -0.200 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.496 -1.600 4.054 1.00 0.00 H new ATOM 1659 N ARG A 102 -0.542 2.584 8.014 1.00 0.00 N ATOM 1660 CA ARG A 102 0.376 3.481 8.697 1.00 0.00 C ATOM 1661 C ARG A 102 -0.012 3.618 10.164 1.00 0.00 C ATOM 1662 O ARG A 102 0.845 3.621 11.041 1.00 0.00 O ATOM 1663 CB ARG A 102 0.407 4.855 8.012 1.00 0.00 C ATOM 1664 CG ARG A 102 1.377 5.846 8.650 1.00 0.00 C ATOM 1665 CD ARG A 102 1.464 7.140 7.850 1.00 0.00 C ATOM 1666 NE ARG A 102 0.159 7.781 7.689 1.00 0.00 N ATOM 1667 CZ ARG A 102 -0.110 8.731 6.784 1.00 0.00 C ATOM 1668 NH1 ARG A 102 0.850 9.202 5.991 1.00 0.00 N ATOM 1669 NH2 ARG A 102 -1.336 9.225 6.688 1.00 0.00 N ATOM 0 H ARG A 102 -1.090 3.022 7.273 1.00 0.00 H new ATOM 0 HA ARG A 102 1.378 3.055 8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.677 4.721 6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.596 5.281 8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.055 6.068 9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.366 5.394 8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.145 7.828 8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.887 6.930 6.868 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.596 7.485 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.800 8.839 6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.635 9.926 5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.074 8.882 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.542 9.949 5.999 1.00 0.00 H new ATOM 1683 N GLU A 103 -1.313 3.698 10.418 1.00 0.00 N ATOM 1684 CA GLU A 103 -1.843 3.809 11.730 1.00 0.00 C ATOM 1685 C GLU A 103 -1.462 2.583 12.563 1.00 0.00 C ATOM 1686 O GLU A 103 -1.153 2.690 13.751 1.00 0.00 O ATOM 1687 CB GLU A 103 -3.342 3.920 11.600 1.00 0.00 C ATOM 1688 CG GLU A 103 -3.993 4.623 12.724 1.00 0.00 C ATOM 1689 CD GLU A 103 -3.452 6.018 12.926 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -3.633 6.869 12.029 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -2.849 6.273 13.978 1.00 0.00 O1- ATOM 0 H GLU A 103 -2.026 3.685 9.688 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.439 4.685 12.237 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.578 4.442 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.764 2.918 11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.066 4.676 12.542 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.853 4.047 13.639 1.00 0.00 H new ATOM 1698 N LEU A 104 -1.479 1.420 11.927 1.00 0.00 N ATOM 1699 CA LEU A 104 -1.097 0.183 12.587 1.00 0.00 C ATOM 1700 C LEU A 104 0.399 0.165 12.859 1.00 0.00 C ATOM 1701 O LEU A 104 0.836 -0.241 13.933 1.00 0.00 O ATOM 1702 CB LEU A 104 -1.492 -1.030 11.738 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.994 -1.264 11.564 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -3.248 -2.440 10.636 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -3.654 -1.498 12.914 1.00 0.00 C ATOM 0 H LEU A 104 -1.755 1.309 10.951 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.628 0.128 13.537 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.045 -0.919 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.055 -1.922 12.188 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.432 -0.373 11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.322 -2.591 10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.807 -2.235 9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.797 -3.339 11.056 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.722 -1.663 12.773 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.211 -2.374 13.389 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.502 -0.625 13.549 1.00 0.00 H new ATOM 1717 N ALA A 105 1.178 0.632 11.888 1.00 0.00 N ATOM 1718 CA ALA A 105 2.630 0.666 12.017 1.00 0.00 C ATOM 1719 C ALA A 105 3.067 1.632 13.117 1.00 0.00 C ATOM 1720 O ALA A 105 4.107 1.446 13.742 1.00 0.00 O ATOM 1721 CB ALA A 105 3.271 1.044 10.687 1.00 0.00 C ATOM 0 H ALA A 105 0.826 0.993 11.001 1.00 0.00 H new ATOM 0 HA ALA A 105 2.967 -0.332 12.298 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.355 1.065 10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.999 0.309 9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.918 2.029 10.380 1.00 0.00 H new ATOM 1727 N GLU A 106 2.257 2.654 13.363 1.00 0.00 N ATOM 1728 CA GLU A 106 2.553 3.626 14.409 1.00 0.00 C ATOM 1729 C GLU A 106 2.081 3.120 15.767 1.00 0.00 C ATOM 1730 O GLU A 106 2.280 3.782 16.790 1.00 0.00 O ATOM 1731 CB GLU A 106 1.913 4.977 14.097 1.00 0.00 C ATOM 1732 CG GLU A 106 2.397 5.599 12.801 1.00 0.00 C ATOM 1733 CD GLU A 106 1.919 7.016 12.626 1.00 0.00 C ATOM 1734 OE1 GLU A 106 0.745 7.217 12.264 1.00 0.00 O ATOM 1735 OE2 GLU A 106 2.726 7.946 12.845 1.00 0.00 O1- ATOM 0 H GLU A 106 1.391 2.832 12.854 1.00 0.00 H new ATOM 0 HA GLU A 106 3.634 3.758 14.445 1.00 0.00 H new ATOM 0 HB2 GLU A 106 0.831 4.853 14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.118 5.664 14.918 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.487 5.581 12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.051 4.996 11.961 1.00 0.00 H new ATOM 1742 N LYS A 107 1.456 1.944 15.759 1.00 0.00 N ATOM 1743 CA LYS A 107 0.946 1.303 16.966 1.00 0.00 C ATOM 1744 C LYS A 107 -0.196 2.114 17.583 1.00 0.00 C ATOM 1745 O LYS A 107 -0.034 2.786 18.606 1.00 0.00 O ATOM 1746 CB LYS A 107 2.079 1.046 17.980 1.00 0.00 C ATOM 1747 CG LYS A 107 1.646 0.327 19.248 1.00 0.00 C ATOM 1748 CD LYS A 107 2.840 0.019 20.136 1.00 0.00 C ATOM 1749 CE LYS A 107 2.412 -0.548 21.479 1.00 0.00 C ATOM 1750 NZ LYS A 107 1.611 -1.793 21.342 1.00 0.00 N ATOM 0 H LYS A 107 1.289 1.407 14.908 1.00 0.00 H new ATOM 0 HA LYS A 107 0.537 0.333 16.684 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.857 0.458 17.493 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.526 2.001 18.255 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.932 0.944 19.794 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.134 -0.599 18.988 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.494 -0.693 19.632 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.420 0.928 20.293 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.297 -0.753 22.082 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.827 0.199 22.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.459 -2.213 22.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.692 -1.569 20.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.121 -2.469 20.739 1.00 0.00 H new