USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 133 SER OG : rot 120:sc= 0.609 USER MOD Set 1.2: B 135 GLN : amide:sc= 0.675 X(o=1.3,f=1) USER MOD Set 2.1: A 44 SER OG : rot -14:sc= 0.609 USER MOD Set 2.2: B 144 SER OG : rot 90:sc= 0.844 USER MOD Single : A 15 SER OG : rot 86:sc= 0.881 USER MOD Single : A 20 GLN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 22 MET CE :methyl -165:sc= -0.113 (180deg=-0.414) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc=-0.00555 X(o=-0.0056,f=-0.2) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ 141:sc= 0.00954 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 68:sc= 0.0218 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.11) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= 2.4 (180deg=1.59) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : B 115 SER OG : rot -99:sc= 0.7 USER MOD Single : B 120 GLN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD Single : B 122 MET CE :methyl -164:sc= -0.371 (180deg=-1.08) USER MOD Single : B 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 139 GLN : amide:sc= 0.91 K(o=0.91,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 73:sc= 0.494 USER MOD Single : B 149 LYS NZ :NH3+ -166:sc= 1.29 (180deg=1.12) USER MOD Single : B 152 LYS NZ :NH3+ 173:sc= 1.76 (180deg=1.64) USER MOD Single : B 155 ASN : amide:sc= -0.0248 K(o=-0.025,f=-0.84) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.730 12.900 0.089 1.00 0.00 N ATOM 115 CA PRO A 10 -10.748 12.050 -0.530 1.00 0.00 C ATOM 116 C PRO A 10 -10.144 10.828 -1.236 1.00 0.00 C ATOM 117 O PRO A 10 -8.984 10.830 -1.667 1.00 0.00 O ATOM 118 CB PRO A 10 -11.521 12.955 -1.497 1.00 0.00 C ATOM 119 CG PRO A 10 -10.506 14.040 -1.849 1.00 0.00 C ATOM 120 CD PRO A 10 -9.730 14.211 -0.546 1.00 0.00 C ATOM 0 HA PRO A 10 -11.410 11.626 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.851 12.410 -2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.412 13.374 -1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.857 13.736 -2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.993 14.966 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.713 14.553 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.201 14.956 0.095 1.00 0.00 H new ATOM 128 N ILE A 11 -10.954 9.771 -1.360 1.00 0.00 N ATOM 129 CA ILE A 11 -10.501 8.443 -1.794 1.00 0.00 C ATOM 130 C ILE A 11 -9.898 8.409 -3.206 1.00 0.00 C ATOM 131 O ILE A 11 -8.983 7.626 -3.472 1.00 0.00 O ATOM 132 CB ILE A 11 -11.652 7.428 -1.631 1.00 0.00 C ATOM 133 CG1 ILE A 11 -11.106 5.996 -1.802 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.832 7.697 -2.588 1.00 0.00 C ATOM 135 CD1 ILE A 11 -12.038 4.927 -1.247 1.00 0.00 C ATOM 0 H ILE A 11 -11.953 9.813 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.672 8.162 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.055 7.544 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.934 5.804 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.140 5.921 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.610 6.951 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.237 8.691 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.484 7.640 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.595 3.943 -1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.191 5.095 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.997 4.977 -1.763 1.00 0.00 H new ATOM 147 N ASP A 12 -10.350 9.284 -4.100 1.00 0.00 N ATOM 148 CA ASP A 12 -9.823 9.387 -5.467 1.00 0.00 C ATOM 149 C ASP A 12 -8.337 9.811 -5.515 1.00 0.00 C ATOM 150 O ASP A 12 -7.608 9.426 -6.431 1.00 0.00 O ATOM 151 CB ASP A 12 -10.699 10.376 -6.249 1.00 0.00 C ATOM 152 CG ASP A 12 -10.418 10.397 -7.762 1.00 0.00 C ATOM 153 OD1 ASP A 12 -10.488 11.492 -8.371 1.00 0.00 O ATOM 154 OD2 ASP A 12 -10.174 9.326 -8.366 1.00 0.00 O1- ATOM 0 H ASP A 12 -11.098 9.948 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.860 8.397 -5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.747 10.124 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.546 11.378 -5.847 1.00 0.00 H new ATOM 159 N GLU A 13 -7.866 10.571 -4.516 1.00 0.00 N ATOM 160 CA GLU A 13 -6.454 10.962 -4.397 1.00 0.00 C ATOM 161 C GLU A 13 -5.583 9.805 -3.891 1.00 0.00 C ATOM 162 O GLU A 13 -4.659 9.389 -4.589 1.00 0.00 O ATOM 163 CB GLU A 13 -6.306 12.196 -3.493 1.00 0.00 C ATOM 164 CG GLU A 13 -7.030 13.447 -4.017 1.00 0.00 C ATOM 165 CD GLU A 13 -6.544 13.927 -5.400 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.327 13.834 -5.710 1.00 0.00 O ATOM 167 OE2 GLU A 13 -7.382 14.426 -6.191 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.455 10.933 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.101 11.221 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.690 11.955 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.246 12.424 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.098 13.238 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.900 14.256 -3.298 1.00 0.00 H new ATOM 174 N LEU A 14 -5.895 9.221 -2.722 1.00 0.00 N ATOM 175 CA LEU A 14 -5.076 8.140 -2.142 1.00 0.00 C ATOM 176 C LEU A 14 -5.021 6.885 -3.033 1.00 0.00 C ATOM 177 O LEU A 14 -3.975 6.236 -3.126 1.00 0.00 O ATOM 178 CB LEU A 14 -5.502 7.822 -0.698 1.00 0.00 C ATOM 179 CG LEU A 14 -6.911 7.219 -0.518 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.874 5.695 -0.428 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.547 7.741 0.764 1.00 0.00 C ATOM 0 H LEU A 14 -6.707 9.478 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.052 8.511 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.776 7.129 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.446 8.741 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.491 7.514 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.887 5.313 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.444 5.287 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.265 5.396 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.541 7.308 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.928 7.462 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.628 8.827 0.714 1.00 0.00 H new ATOM 193 N SER A 15 -6.117 6.579 -3.744 1.00 0.00 N ATOM 194 CA SER A 15 -6.194 5.452 -4.686 1.00 0.00 C ATOM 195 C SER A 15 -5.389 5.682 -5.973 1.00 0.00 C ATOM 196 O SER A 15 -4.984 4.717 -6.615 1.00 0.00 O ATOM 197 CB SER A 15 -7.648 5.162 -5.067 1.00 0.00 C ATOM 198 OG SER A 15 -8.437 4.908 -3.918 1.00 0.00 O ATOM 0 H SER A 15 -6.984 7.113 -3.680 1.00 0.00 H new ATOM 0 HA SER A 15 -5.757 4.601 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.060 6.010 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.687 4.302 -5.736 1.00 0.00 H new ATOM 0 HG SER A 15 -8.765 5.756 -3.552 1.00 0.00 H new ATOM 204 N ALA A 16 -5.151 6.937 -6.368 1.00 0.00 N ATOM 205 CA ALA A 16 -4.269 7.298 -7.479 1.00 0.00 C ATOM 206 C ALA A 16 -2.794 7.426 -7.053 1.00 0.00 C ATOM 207 O ALA A 16 -1.898 7.185 -7.868 1.00 0.00 O ATOM 208 CB ALA A 16 -4.784 8.599 -8.099 1.00 0.00 C ATOM 0 H ALA A 16 -5.576 7.746 -5.914 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.290 6.495 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.140 8.886 -8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.801 8.451 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.779 9.388 -7.347 1.00 0.00 H new ATOM 214 N LEU A 17 -2.515 7.794 -5.797 1.00 0.00 N ATOM 215 CA LEU A 17 -1.154 7.903 -5.253 1.00 0.00 C ATOM 216 C LEU A 17 -0.407 6.553 -5.277 1.00 0.00 C ATOM 217 O LEU A 17 0.739 6.506 -5.720 1.00 0.00 O ATOM 218 CB LEU A 17 -1.200 8.498 -3.828 1.00 0.00 C ATOM 219 CG LEU A 17 -0.760 9.974 -3.762 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.668 10.928 -4.540 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.731 10.434 -2.303 1.00 0.00 C ATOM 0 H LEU A 17 -3.239 8.028 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.589 8.578 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.215 8.412 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.558 7.906 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 17 0.227 10.012 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.292 11.947 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.680 10.642 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.680 10.876 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.420 11.478 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.726 10.332 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.026 9.820 -1.742 1.00 0.00 H new ATOM 233 N LEU A 18 -1.052 5.447 -4.894 1.00 0.00 N ATOM 234 CA LEU A 18 -0.419 4.121 -4.958 1.00 0.00 C ATOM 235 C LEU A 18 -0.086 3.687 -6.400 1.00 0.00 C ATOM 236 O LEU A 18 0.977 3.112 -6.634 1.00 0.00 O ATOM 237 CB LEU A 18 -1.268 3.099 -4.175 1.00 0.00 C ATOM 238 CG LEU A 18 -2.639 2.747 -4.794 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.603 1.448 -5.600 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.688 2.567 -3.699 1.00 0.00 C ATOM 0 H LEU A 18 -2.008 5.440 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 18 0.554 4.175 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.691 2.180 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.433 3.487 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.890 3.576 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.592 1.248 -6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.883 1.544 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.308 0.624 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.648 2.319 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.383 1.761 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.783 3.492 -3.130 1.00 0.00 H new ATOM 252 N ARG A 19 -0.943 4.015 -7.376 1.00 0.00 N ATOM 253 CA ARG A 19 -0.751 3.655 -8.793 1.00 0.00 C ATOM 254 C ARG A 19 0.351 4.471 -9.463 1.00 0.00 C ATOM 255 O ARG A 19 1.150 3.906 -10.216 1.00 0.00 O ATOM 256 CB ARG A 19 -2.076 3.765 -9.568 1.00 0.00 C ATOM 257 CG ARG A 19 -3.168 2.844 -8.993 1.00 0.00 C ATOM 258 CD ARG A 19 -4.365 2.619 -9.930 1.00 0.00 C ATOM 259 NE ARG A 19 -4.794 3.843 -10.638 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.736 4.705 -10.309 1.00 0.00 C ATOM 261 NH1 ARG A 19 -6.351 4.673 -9.158 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -6.067 5.633 -11.150 1.00 0.00 N ATOM 0 H ARG A 19 -1.799 4.543 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.422 2.616 -8.815 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.424 4.798 -9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.904 3.512 -10.614 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.723 1.878 -8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.530 3.269 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.104 1.856 -10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.203 2.231 -9.351 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.292 4.050 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.109 3.960 -8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.074 5.361 -8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.600 5.691 -12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.794 6.306 -10.907 1.00 0.00 H new ATOM 276 N GLN A 20 0.463 5.767 -9.170 1.00 0.00 N ATOM 277 CA GLN A 20 1.560 6.603 -9.695 1.00 0.00 C ATOM 278 C GLN A 20 2.898 6.372 -8.961 1.00 0.00 C ATOM 279 O GLN A 20 3.957 6.548 -9.565 1.00 0.00 O ATOM 280 CB GLN A 20 1.146 8.083 -9.741 1.00 0.00 C ATOM 281 CG GLN A 20 1.131 8.792 -8.382 1.00 0.00 C ATOM 282 CD GLN A 20 0.304 10.070 -8.421 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.809 11.187 -8.407 1.00 0.00 O ATOM 284 NE2 GLN A 20 -1.005 9.953 -8.490 1.00 0.00 N ATOM 0 H GLN A 20 -0.192 6.269 -8.570 1.00 0.00 H new ATOM 0 HA GLN A 20 1.747 6.287 -10.721 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.828 8.615 -10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.152 8.153 -10.182 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.726 8.120 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.152 9.029 -8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.434 9.028 -8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.590 10.787 -8.531 1.00 0.00 H new ATOM 293 N GLU A 21 2.888 5.887 -7.711 1.00 0.00 N ATOM 294 CA GLU A 21 4.101 5.383 -7.032 1.00 0.00 C ATOM 295 C GLU A 21 4.628 4.071 -7.647 1.00 0.00 C ATOM 296 O GLU A 21 5.839 3.844 -7.649 1.00 0.00 O ATOM 297 CB GLU A 21 3.845 5.200 -5.525 1.00 0.00 C ATOM 298 CG GLU A 21 3.780 6.528 -4.750 1.00 0.00 C ATOM 299 CD GLU A 21 5.146 7.193 -4.493 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.172 6.787 -5.090 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.186 8.150 -3.683 1.00 0.00 O1- ATOM 0 H GLU A 21 2.045 5.831 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 21 4.874 6.137 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.908 4.661 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.635 4.580 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.151 7.225 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.292 6.350 -3.792 1.00 0.00 H new ATOM 308 N MET A 22 3.750 3.238 -8.224 1.00 0.00 N ATOM 309 CA MET A 22 4.108 2.090 -9.080 1.00 0.00 C ATOM 310 C MET A 22 4.394 2.462 -10.551 1.00 0.00 C ATOM 311 O MET A 22 4.904 1.635 -11.312 1.00 0.00 O ATOM 312 CB MET A 22 2.986 1.040 -9.009 1.00 0.00 C ATOM 313 CG MET A 22 3.090 0.213 -7.725 1.00 0.00 C ATOM 314 SD MET A 22 1.795 -1.043 -7.528 1.00 0.00 S ATOM 315 CE MET A 22 0.496 0.005 -6.839 1.00 0.00 C ATOM 0 H MET A 22 2.742 3.344 -8.107 1.00 0.00 H new ATOM 0 HA MET A 22 5.044 1.690 -8.691 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.016 1.536 -9.049 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.044 0.382 -9.876 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.062 -0.280 -7.704 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.056 0.888 -6.870 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.284 -0.620 -6.404 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.918 0.648 -6.067 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.068 0.621 -7.630 1.00 0.00 H new ATOM 325 N GLY A 23 4.095 3.696 -10.969 1.00 0.00 N ATOM 326 CA GLY A 23 4.284 4.188 -12.338 1.00 0.00 C ATOM 327 C GLY A 23 3.284 3.638 -13.366 1.00 0.00 C ATOM 328 O GLY A 23 3.620 3.510 -14.547 1.00 0.00 O ATOM 0 H GLY A 23 3.703 4.402 -10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.214 5.276 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.293 3.936 -12.663 1.00 0.00 H new ATOM 420 N MET A 34 -17.203 -3.483 -3.529 1.00 0.00 N ATOM 421 CA MET A 34 -16.520 -4.558 -2.800 1.00 0.00 C ATOM 422 C MET A 34 -15.516 -5.346 -3.674 1.00 0.00 C ATOM 423 O MET A 34 -14.633 -6.028 -3.150 1.00 0.00 O ATOM 424 CB MET A 34 -17.572 -5.480 -2.151 1.00 0.00 C ATOM 425 CG MET A 34 -17.010 -6.255 -0.952 1.00 0.00 C ATOM 426 SD MET A 34 -16.548 -5.202 0.455 1.00 0.00 S ATOM 427 CE MET A 34 -15.417 -6.331 1.313 1.00 0.00 C ATOM 0 HA MET A 34 -15.912 -4.101 -2.019 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.424 -4.883 -1.827 1.00 0.00 H new ATOM 0 HB3 MET A 34 -17.942 -6.185 -2.895 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.752 -6.981 -0.621 1.00 0.00 H new ATOM 0 HG3 MET A 34 -16.134 -6.818 -1.274 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.032 -5.847 2.211 1.00 0.00 H new ATOM 0 HE2 MET A 34 -15.951 -7.240 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.587 -6.585 0.654 1.00 0.00 H new ATOM 437 N GLN A 35 -15.607 -5.216 -5.005 1.00 0.00 N ATOM 438 CA GLN A 35 -14.609 -5.741 -5.952 1.00 0.00 C ATOM 439 C GLN A 35 -13.392 -4.811 -6.083 1.00 0.00 C ATOM 440 O GLN A 35 -12.248 -5.267 -6.056 1.00 0.00 O ATOM 441 CB GLN A 35 -15.257 -5.977 -7.329 1.00 0.00 C ATOM 442 CG GLN A 35 -16.516 -6.863 -7.295 1.00 0.00 C ATOM 443 CD GLN A 35 -16.285 -8.259 -6.705 1.00 0.00 C ATOM 444 OE1 GLN A 35 -15.204 -8.833 -6.782 1.00 0.00 O ATOM 445 NE2 GLN A 35 -17.297 -8.869 -6.114 1.00 0.00 N ATOM 0 H GLN A 35 -16.384 -4.738 -5.461 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.248 -6.691 -5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.518 -5.012 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.522 -6.437 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -17.287 -6.358 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.900 -6.968 -8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -18.202 -8.404 -6.043 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.173 -9.805 -5.729 1.00 0.00 H new ATOM 454 N ASP A 36 -13.619 -3.497 -6.181 1.00 0.00 N ATOM 455 CA ASP A 36 -12.556 -2.491 -6.393 1.00 0.00 C ATOM 456 C ASP A 36 -11.588 -2.384 -5.206 1.00 0.00 C ATOM 457 O ASP A 36 -10.377 -2.255 -5.406 1.00 0.00 O ATOM 458 CB ASP A 36 -13.176 -1.103 -6.647 1.00 0.00 C ATOM 459 CG ASP A 36 -14.162 -1.046 -7.821 1.00 0.00 C ATOM 460 OD1 ASP A 36 -13.882 -1.617 -8.901 1.00 0.00 O ATOM 461 OD2 ASP A 36 -15.218 -0.389 -7.657 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.552 -3.091 -6.116 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.989 -2.826 -7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.690 -0.779 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.373 -0.389 -6.830 1.00 0.00 H new ATOM 466 N ILE A 37 -12.103 -2.480 -3.976 1.00 0.00 N ATOM 467 CA ILE A 37 -11.298 -2.444 -2.746 1.00 0.00 C ATOM 468 C ILE A 37 -10.265 -3.582 -2.696 1.00 0.00 C ATOM 469 O ILE A 37 -9.117 -3.334 -2.332 1.00 0.00 O ATOM 470 CB ILE A 37 -12.226 -2.424 -1.504 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.380 -2.262 -0.219 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.145 -3.650 -1.424 1.00 0.00 C ATOM 473 CD1 ILE A 37 -12.204 -2.109 1.070 1.00 0.00 C ATOM 0 H ILE A 37 -13.102 -2.586 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.716 -1.522 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.890 -1.565 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.727 -3.129 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.737 -1.389 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.770 -3.579 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.778 -3.688 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.540 -4.555 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.532 -2.001 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.838 -1.225 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.828 -2.992 1.210 1.00 0.00 H new ATOM 485 N GLN A 38 -10.627 -4.794 -3.132 1.00 0.00 N ATOM 486 CA GLN A 38 -9.695 -5.925 -3.203 1.00 0.00 C ATOM 487 C GLN A 38 -8.577 -5.667 -4.218 1.00 0.00 C ATOM 488 O GLN A 38 -7.413 -5.913 -3.912 1.00 0.00 O ATOM 489 CB GLN A 38 -10.441 -7.222 -3.561 1.00 0.00 C ATOM 490 CG GLN A 38 -11.333 -7.717 -2.418 1.00 0.00 C ATOM 491 CD GLN A 38 -11.996 -9.059 -2.723 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.203 -9.174 -2.888 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.245 -10.138 -2.826 1.00 0.00 N ATOM 0 H GLN A 38 -11.572 -5.018 -3.445 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.241 -6.037 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.052 -7.054 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.717 -7.996 -3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.735 -7.810 -1.511 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.104 -6.973 -2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.236 -10.072 -2.693 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.673 -11.039 -3.038 1.00 0.00 H new ATOM 502 N GLN A 39 -8.907 -5.127 -5.396 1.00 0.00 N ATOM 503 CA GLN A 39 -7.931 -4.844 -6.458 1.00 0.00 C ATOM 504 C GLN A 39 -6.916 -3.767 -6.039 1.00 0.00 C ATOM 505 O GLN A 39 -5.712 -3.994 -6.143 1.00 0.00 O ATOM 506 CB GLN A 39 -8.659 -4.411 -7.744 1.00 0.00 C ATOM 507 CG GLN A 39 -9.558 -5.501 -8.353 1.00 0.00 C ATOM 508 CD GLN A 39 -8.816 -6.677 -8.985 1.00 0.00 C ATOM 509 OE1 GLN A 39 -7.599 -6.709 -9.125 1.00 0.00 O ATOM 510 NE2 GLN A 39 -9.535 -7.696 -9.402 1.00 0.00 N ATOM 0 H GLN A 39 -9.863 -4.872 -5.642 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.375 -5.763 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.267 -3.533 -7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.918 -4.110 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.216 -5.884 -7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.194 -5.044 -9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.549 -7.684 -9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.079 -8.499 -9.835 1.00 0.00 H new ATOM 519 N LEU A 40 -7.385 -2.627 -5.519 1.00 0.00 N ATOM 520 CA LEU A 40 -6.529 -1.517 -5.080 1.00 0.00 C ATOM 521 C LEU A 40 -5.638 -1.914 -3.890 1.00 0.00 C ATOM 522 O LEU A 40 -4.436 -1.627 -3.897 1.00 0.00 O ATOM 523 CB LEU A 40 -7.409 -0.306 -4.699 1.00 0.00 C ATOM 524 CG LEU A 40 -8.113 0.373 -5.883 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.182 1.337 -5.356 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.130 1.172 -6.749 1.00 0.00 C ATOM 0 H LEU A 40 -8.380 -2.446 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.871 -1.253 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.164 -0.633 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.788 0.432 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.559 -0.412 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.682 1.820 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.913 0.783 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.711 2.095 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.668 1.637 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.657 1.945 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.366 0.503 -7.144 1.00 0.00 H new ATOM 538 N LEU A 41 -6.204 -2.607 -2.898 1.00 0.00 N ATOM 539 CA LEU A 41 -5.479 -2.988 -1.686 1.00 0.00 C ATOM 540 C LEU A 41 -4.451 -4.111 -1.943 1.00 0.00 C ATOM 541 O LEU A 41 -3.351 -4.078 -1.381 1.00 0.00 O ATOM 542 CB LEU A 41 -6.522 -3.318 -0.600 1.00 0.00 C ATOM 543 CG LEU A 41 -5.990 -3.364 0.843 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.402 -2.026 1.287 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.138 -3.687 1.802 1.00 0.00 C ATOM 0 H LEU A 41 -7.175 -2.918 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.864 -2.161 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.319 -2.576 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.970 -4.284 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.211 -4.126 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.040 -2.110 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.574 -1.757 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.171 -1.256 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.760 -3.719 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.906 -2.917 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.567 -4.655 1.543 1.00 0.00 H new ATOM 557 N ALA A 42 -4.754 -5.046 -2.855 1.00 0.00 N ATOM 558 CA ALA A 42 -3.795 -6.045 -3.340 1.00 0.00 C ATOM 559 C ALA A 42 -2.640 -5.406 -4.136 1.00 0.00 C ATOM 560 O ALA A 42 -1.470 -5.710 -3.880 1.00 0.00 O ATOM 561 CB ALA A 42 -4.533 -7.085 -4.195 1.00 0.00 C ATOM 0 H ALA A 42 -5.678 -5.130 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.346 -6.532 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.823 -7.829 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.297 -7.576 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.004 -6.590 -5.044 1.00 0.00 H new ATOM 567 N LYS A 43 -2.947 -4.471 -5.049 1.00 0.00 N ATOM 568 CA LYS A 43 -1.955 -3.697 -5.820 1.00 0.00 C ATOM 569 C LYS A 43 -0.987 -2.936 -4.911 1.00 0.00 C ATOM 570 O LYS A 43 0.227 -3.001 -5.112 1.00 0.00 O ATOM 571 CB LYS A 43 -2.697 -2.732 -6.763 1.00 0.00 C ATOM 572 CG LYS A 43 -3.025 -3.366 -8.126 1.00 0.00 C ATOM 573 CD LYS A 43 -1.821 -3.422 -9.090 1.00 0.00 C ATOM 574 CE LYS A 43 -1.419 -2.011 -9.543 1.00 0.00 C ATOM 575 NZ LYS A 43 -0.238 -2.024 -10.439 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.910 -4.225 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.351 -4.391 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.622 -2.405 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.087 -1.842 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.398 -4.377 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.829 -2.800 -8.596 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.977 -3.905 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.073 -4.030 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.258 -1.544 -10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.202 -1.399 -8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.366 -1.319 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.616 -1.794 -9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.134 -2.968 -10.862 1.00 0.00 H new ATOM 589 N SER A 44 -1.516 -2.275 -3.881 1.00 0.00 N ATOM 590 CA SER A 44 -0.715 -1.566 -2.874 1.00 0.00 C ATOM 591 C SER A 44 0.219 -2.508 -2.088 1.00 0.00 C ATOM 592 O SER A 44 1.399 -2.208 -1.908 1.00 0.00 O ATOM 593 CB SER A 44 -1.663 -0.821 -1.931 1.00 0.00 C ATOM 594 OG SER A 44 -0.934 0.043 -1.089 1.00 0.00 O ATOM 0 H SER A 44 -2.521 -2.214 -3.718 1.00 0.00 H new ATOM 0 HA SER A 44 -0.064 -0.859 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.388 -0.249 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.226 -1.536 -1.331 1.00 0.00 H new ATOM 0 HG SER A 44 0.019 -0.181 -1.137 1.00 0.00 H new ATOM 600 N LEU A 45 -0.271 -3.693 -1.687 1.00 0.00 N ATOM 601 CA LEU A 45 0.516 -4.696 -0.956 1.00 0.00 C ATOM 602 C LEU A 45 1.735 -5.204 -1.755 1.00 0.00 C ATOM 603 O LEU A 45 2.832 -5.302 -1.196 1.00 0.00 O ATOM 604 CB LEU A 45 -0.446 -5.813 -0.490 1.00 0.00 C ATOM 605 CG LEU A 45 0.125 -6.989 0.328 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.756 -8.081 -0.533 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.119 -6.563 1.408 1.00 0.00 C ATOM 0 H LEU A 45 -1.233 -3.983 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 45 0.970 -4.241 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.230 -5.346 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.924 -6.229 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.755 -7.403 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.136 -8.876 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.006 -8.489 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.577 -7.659 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.477 -7.444 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.963 -6.051 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.627 -5.889 2.110 1.00 0.00 H new ATOM 619 N THR A 46 1.588 -5.473 -3.057 1.00 0.00 N ATOM 620 CA THR A 46 2.681 -5.999 -3.903 1.00 0.00 C ATOM 621 C THR A 46 3.917 -5.083 -3.928 1.00 0.00 C ATOM 622 O THR A 46 5.050 -5.567 -3.871 1.00 0.00 O ATOM 623 CB THR A 46 2.169 -6.229 -5.335 1.00 0.00 C ATOM 624 OG1 THR A 46 1.107 -7.164 -5.342 1.00 0.00 O ATOM 625 CG2 THR A 46 3.230 -6.771 -6.301 1.00 0.00 C ATOM 0 H THR A 46 0.711 -5.335 -3.560 1.00 0.00 H new ATOM 0 HA THR A 46 2.998 -6.944 -3.461 1.00 0.00 H new ATOM 0 HB THR A 46 1.856 -5.241 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.325 -6.774 -4.899 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.788 -6.905 -7.288 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.057 -6.064 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.599 -7.729 -5.935 1.00 0.00 H new ATOM 633 N GLU A 47 3.722 -3.761 -3.972 1.00 0.00 N ATOM 634 CA GLU A 47 4.813 -2.783 -4.048 1.00 0.00 C ATOM 635 C GLU A 47 5.659 -2.709 -2.760 1.00 0.00 C ATOM 636 O GLU A 47 6.875 -2.497 -2.831 1.00 0.00 O ATOM 637 CB GLU A 47 4.212 -1.416 -4.424 1.00 0.00 C ATOM 638 CG GLU A 47 5.212 -0.258 -4.580 1.00 0.00 C ATOM 639 CD GLU A 47 6.219 -0.415 -5.740 1.00 0.00 C ATOM 640 OE1 GLU A 47 7.035 0.511 -5.952 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.214 -1.435 -6.465 1.00 0.00 O1- ATOM 0 H GLU A 47 2.795 -3.336 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 47 5.514 -3.105 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.666 -1.527 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.483 -1.140 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.654 0.667 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.768 -0.150 -3.649 1.00 0.00 H new ATOM 648 N ILE A 48 5.058 -2.937 -1.587 1.00 0.00 N ATOM 649 CA ILE A 48 5.770 -3.009 -0.298 1.00 0.00 C ATOM 650 C ILE A 48 6.824 -4.128 -0.332 1.00 0.00 C ATOM 651 O ILE A 48 7.997 -3.921 0.002 1.00 0.00 O ATOM 652 CB ILE A 48 4.772 -3.250 0.860 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.724 -2.124 0.972 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.517 -3.417 2.201 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.511 -2.482 1.844 1.00 0.00 C ATOM 0 H ILE A 48 4.052 -3.079 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 48 6.274 -2.058 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 48 4.240 -4.173 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.203 -1.235 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.376 -1.865 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.795 -3.585 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.193 -4.269 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.090 -2.514 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.821 -1.638 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.005 -3.351 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.845 -2.711 2.856 1.00 0.00 H new ATOM 667 N LYS A 49 6.407 -5.316 -0.788 1.00 0.00 N ATOM 668 CA LYS A 49 7.250 -6.514 -0.886 1.00 0.00 C ATOM 669 C LYS A 49 8.380 -6.356 -1.906 1.00 0.00 C ATOM 670 O LYS A 49 9.500 -6.788 -1.637 1.00 0.00 O ATOM 671 CB LYS A 49 6.370 -7.736 -1.203 1.00 0.00 C ATOM 672 CG LYS A 49 5.460 -8.097 -0.017 1.00 0.00 C ATOM 673 CD LYS A 49 4.579 -9.307 -0.343 1.00 0.00 C ATOM 674 CE LYS A 49 3.681 -9.718 0.833 1.00 0.00 C ATOM 675 NZ LYS A 49 4.452 -10.334 1.943 1.00 0.00 N1+ ATOM 0 H LYS A 49 5.451 -5.474 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 49 7.737 -6.664 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.759 -7.528 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.004 -8.588 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.070 -8.314 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.831 -7.243 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.956 -9.076 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.213 -10.148 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.150 -8.842 1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.927 -10.423 0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.794 -10.717 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.044 -11.103 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.058 -9.614 2.386 1.00 0.00 H new ATOM 689 N ARG A 50 8.123 -5.685 -3.037 1.00 0.00 N ATOM 690 CA ARG A 50 9.136 -5.376 -4.068 1.00 0.00 C ATOM 691 C ARG A 50 10.283 -4.528 -3.509 1.00 0.00 C ATOM 692 O ARG A 50 11.452 -4.863 -3.706 1.00 0.00 O ATOM 693 CB ARG A 50 8.459 -4.680 -5.263 1.00 0.00 C ATOM 694 CG ARG A 50 9.378 -4.647 -6.495 1.00 0.00 C ATOM 695 CD ARG A 50 8.748 -3.883 -7.667 1.00 0.00 C ATOM 696 NE ARG A 50 8.654 -2.434 -7.405 1.00 0.00 N ATOM 697 CZ ARG A 50 9.571 -1.509 -7.623 1.00 0.00 C ATOM 698 NH1 ARG A 50 10.745 -1.789 -8.115 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 9.329 -0.265 -7.336 1.00 0.00 N ATOM 0 H ARG A 50 7.194 -5.334 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 50 9.579 -6.313 -4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.535 -5.201 -5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.186 -3.662 -4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.326 -4.180 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.602 -5.667 -6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.340 -4.050 -8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.752 -4.280 -7.863 1.00 0.00 H new ATOM 0 HE ARG A 50 7.774 -2.107 -7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.984 -2.753 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.425 -1.044 -8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.427 0.001 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.041 0.445 -7.506 1.00 0.00 H new ATOM 713 N LEU A 51 9.964 -3.465 -2.764 1.00 0.00 N ATOM 714 CA LEU A 51 10.962 -2.596 -2.126 1.00 0.00 C ATOM 715 C LEU A 51 11.760 -3.327 -1.043 1.00 0.00 C ATOM 716 O LEU A 51 12.985 -3.190 -1.008 1.00 0.00 O ATOM 717 CB LEU A 51 10.280 -1.347 -1.534 1.00 0.00 C ATOM 718 CG LEU A 51 10.258 -0.107 -2.441 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.671 0.456 -2.647 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.617 -0.359 -3.802 1.00 0.00 C ATOM 0 H LEU A 51 9.001 -3.180 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 51 11.668 -2.292 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.253 -1.604 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.786 -1.086 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 51 9.639 0.621 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.623 1.333 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.094 0.738 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.301 -0.303 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.636 0.559 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.172 -1.137 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.584 -0.680 -3.664 1.00 0.00 H new ATOM 732 N LYS A 52 11.104 -4.113 -0.185 1.00 0.00 N ATOM 733 CA LYS A 52 11.782 -4.880 0.874 1.00 0.00 C ATOM 734 C LYS A 52 12.713 -5.955 0.312 1.00 0.00 C ATOM 735 O LYS A 52 13.814 -6.129 0.837 1.00 0.00 O ATOM 736 CB LYS A 52 10.749 -5.472 1.844 1.00 0.00 C ATOM 737 CG LYS A 52 10.149 -4.354 2.711 1.00 0.00 C ATOM 738 CD LYS A 52 9.098 -4.897 3.676 1.00 0.00 C ATOM 739 CE LYS A 52 8.447 -3.735 4.431 1.00 0.00 C ATOM 740 NZ LYS A 52 7.466 -4.223 5.423 1.00 0.00 N1+ ATOM 0 H LYS A 52 10.092 -4.238 -0.201 1.00 0.00 H new ATOM 0 HA LYS A 52 12.419 -4.190 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.959 -5.976 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.220 -6.223 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.943 -3.863 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.699 -3.597 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.341 -5.458 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.559 -5.589 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.216 -3.149 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.952 -3.070 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.822 -3.449 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.918 -5.006 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.967 -4.557 6.271 1.00 0.00 H new ATOM 754 N ALA A 53 12.330 -6.621 -0.781 1.00 0.00 N ATOM 755 CA ALA A 53 13.187 -7.579 -1.481 1.00 0.00 C ATOM 756 C ALA A 53 14.447 -6.898 -2.059 1.00 0.00 C ATOM 757 O ALA A 53 15.557 -7.399 -1.872 1.00 0.00 O ATOM 758 CB ALA A 53 12.363 -8.278 -2.570 1.00 0.00 C ATOM 0 H ALA A 53 11.410 -6.509 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 53 13.545 -8.326 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.992 -8.995 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.523 -8.801 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.987 -7.536 -3.275 1.00 0.00 H new ATOM 764 N ALA A 54 14.303 -5.728 -2.692 1.00 0.00 N ATOM 765 CA ALA A 54 15.427 -4.946 -3.219 1.00 0.00 C ATOM 766 C ALA A 54 16.362 -4.417 -2.115 1.00 0.00 C ATOM 767 O ALA A 54 17.587 -4.486 -2.245 1.00 0.00 O ATOM 768 CB ALA A 54 14.859 -3.807 -4.072 1.00 0.00 C ATOM 0 H ALA A 54 13.395 -5.294 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 54 16.051 -5.598 -3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.678 -3.211 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.275 -4.223 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.219 -3.175 -3.456 1.00 0.00 H new ATOM 774 N ASN A 55 15.801 -3.946 -0.993 1.00 0.00 N ATOM 775 CA ASN A 55 16.557 -3.486 0.176 1.00 0.00 C ATOM 776 C ASN A 55 17.339 -4.642 0.830 1.00 0.00 C ATOM 777 O ASN A 55 18.534 -4.526 1.099 1.00 0.00 O ATOM 778 CB ASN A 55 15.565 -2.812 1.148 1.00 0.00 C ATOM 779 CG ASN A 55 16.234 -1.864 2.130 1.00 0.00 C ATOM 780 OD1 ASN A 55 17.282 -2.135 2.700 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.651 -0.704 2.354 1.00 0.00 N ATOM 0 H ASN A 55 14.791 -3.873 -0.872 1.00 0.00 H new ATOM 0 HA ASN A 55 17.312 -2.758 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.821 -2.262 0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.032 -3.583 1.704 1.00 0.00 H new ATOM 0 HD21 ASN A 55 16.074 -0.037 3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.777 -0.473 1.882 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.610 -13.776 -0.849 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.562 -12.928 -0.119 1.00 0.00 C ATOM 1056 C PRO B 110 -9.908 -11.725 0.571 1.00 0.00 C ATOM 1057 O PRO B 110 -8.711 -11.725 0.878 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.276 -13.857 0.877 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.273 -14.990 1.090 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.626 -15.122 -0.286 1.00 0.00 C ATOM 0 HA PRO B 110 -11.267 -12.470 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.506 -13.344 1.811 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.220 -14.226 0.476 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.542 -14.745 1.860 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.763 -15.913 1.398 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.616 -15.524 -0.206 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -10.192 -15.804 -0.920 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.711 -10.697 0.854 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.224 -9.404 1.356 1.00 0.00 C ATOM 1070 C ILE B 111 -9.534 -9.490 2.727 1.00 0.00 C ATOM 1071 O ILE B 111 -8.572 -8.768 2.983 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.360 -8.366 1.346 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.737 -6.958 1.396 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.392 -8.594 2.467 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.760 -5.830 1.269 1.00 0.00 C ATOM 0 H ILE B 111 -11.724 -10.735 0.742 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.442 -9.075 0.671 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.929 -8.476 0.423 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.196 -6.842 2.335 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.005 -6.865 0.594 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.168 -7.831 2.408 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.843 -9.580 2.351 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -11.896 -8.533 3.436 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.249 -4.868 1.313 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -12.284 -5.919 0.317 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.478 -5.896 2.086 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.962 -10.409 3.597 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.339 -10.622 4.905 1.00 0.00 C ATOM 1089 C ASP B 112 -7.939 -11.267 4.799 1.00 0.00 C ATOM 1090 O ASP B 112 -7.109 -11.088 5.694 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.270 -11.443 5.815 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.603 -10.747 6.156 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -12.513 -11.443 6.666 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -11.748 -9.514 5.966 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.752 -11.027 3.413 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.188 -9.641 5.356 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -10.485 -12.395 5.330 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.744 -11.669 6.743 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.639 -11.978 3.705 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.317 -12.563 3.448 1.00 0.00 C ATOM 1101 C GLU B 113 -5.306 -11.502 2.977 1.00 0.00 C ATOM 1102 O GLU B 113 -4.233 -11.377 3.567 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.471 -13.719 2.439 1.00 0.00 C ATOM 1104 CG GLU B 113 -5.190 -14.521 2.178 1.00 0.00 C ATOM 1105 CD GLU B 113 -4.674 -15.333 3.389 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -5.440 -15.606 4.346 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -3.483 -15.734 3.373 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.315 -12.165 2.965 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.911 -12.963 4.377 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -7.241 -14.399 2.803 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -6.827 -13.311 1.493 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -5.370 -15.206 1.349 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -4.407 -13.834 1.859 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.649 -10.687 1.971 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.787 -9.574 1.529 1.00 0.00 C ATOM 1116 C LEU B 114 -4.646 -8.475 2.614 1.00 0.00 C ATOM 1117 O LEU B 114 -3.586 -7.851 2.745 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.242 -9.043 0.154 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.648 -8.426 0.102 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.599 -6.911 0.272 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.338 -8.713 -1.234 1.00 0.00 C ATOM 0 H LEU B 114 -6.518 -10.775 1.445 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.776 -9.957 1.391 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.525 -8.293 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.200 -9.864 -0.562 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.207 -8.881 0.920 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.611 -6.507 0.230 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.151 -6.667 1.235 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.001 -6.474 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.330 -8.262 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.747 -8.292 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.429 -9.790 -1.372 1.00 0.00 H new ATOM 1133 N SER B 115 -5.677 -8.291 3.450 1.00 0.00 N ATOM 1134 CA SER B 115 -5.630 -7.490 4.685 1.00 0.00 C ATOM 1135 C SER B 115 -4.648 -8.067 5.723 1.00 0.00 C ATOM 1136 O SER B 115 -3.842 -7.328 6.286 1.00 0.00 O ATOM 1137 CB SER B 115 -7.050 -7.402 5.268 1.00 0.00 C ATOM 1138 OG SER B 115 -7.091 -6.759 6.528 1.00 0.00 O ATOM 0 H SER B 115 -6.593 -8.706 3.283 1.00 0.00 H new ATOM 0 HA SER B 115 -5.262 -6.494 4.437 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.691 -6.863 4.570 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.460 -8.407 5.366 1.00 0.00 H new ATOM 0 HG SER B 115 -7.125 -7.433 7.238 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.617 -9.386 5.936 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.623 -10.022 6.810 1.00 0.00 C ATOM 1146 C ALA B 116 -2.181 -9.902 6.285 1.00 0.00 C ATOM 1147 O ALA B 116 -1.246 -9.755 7.076 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.020 -11.488 7.036 1.00 0.00 C ATOM 0 H ALA B 116 -5.275 -10.040 5.511 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.625 -9.488 7.760 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.287 -11.968 7.684 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.003 -11.531 7.506 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.053 -12.008 6.078 1.00 0.00 H new ATOM 1154 N LEU B 117 -1.989 -9.915 4.962 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.692 -9.734 4.305 1.00 0.00 C ATOM 1156 C LEU B 117 -0.123 -8.318 4.522 1.00 0.00 C ATOM 1157 O LEU B 117 1.053 -8.200 4.865 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.821 -10.087 2.803 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.385 -11.517 2.433 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.055 -12.627 3.249 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.709 -11.782 0.961 1.00 0.00 C ATOM 0 H LEU B 117 -2.753 -10.056 4.301 1.00 0.00 H new ATOM 0 HA LEU B 117 0.027 -10.414 4.762 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.859 -9.950 2.500 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.225 -9.380 2.226 1.00 0.00 H new ATOM 0 HG LEU B 117 0.683 -11.552 2.649 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.685 -13.597 2.917 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.823 -12.493 4.305 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.135 -12.582 3.106 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.401 -12.794 0.697 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.782 -11.675 0.800 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.175 -11.066 0.336 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.916 -7.244 4.377 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.417 -5.882 4.640 1.00 0.00 C ATOM 1175 C LEU B 118 -0.186 -5.620 6.140 1.00 0.00 C ATOM 1176 O LEU B 118 0.775 -4.942 6.499 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.293 -4.823 3.932 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.675 -4.557 4.547 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.683 -3.447 5.602 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.659 -4.130 3.461 1.00 0.00 C ATOM 0 H LEU B 118 -1.892 -7.289 4.083 1.00 0.00 H new ATOM 0 HA LEU B 118 0.575 -5.792 4.197 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.742 -3.883 3.911 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.434 -5.133 2.897 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.957 -5.495 5.024 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.694 -3.319 5.988 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.014 -3.717 6.419 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.347 -2.514 5.151 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.636 -3.944 3.908 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.300 -3.219 2.982 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.745 -4.922 2.717 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.011 -6.199 7.018 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.870 -6.055 8.478 1.00 0.00 C ATOM 1194 C ARG B 119 0.423 -6.681 9.010 1.00 0.00 C ATOM 1195 O ARG B 119 1.151 -6.027 9.756 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.098 -6.653 9.176 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.345 -5.773 9.020 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.595 -6.521 9.497 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.821 -5.904 8.958 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.651 -5.066 9.548 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.474 -4.634 10.763 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.700 -4.653 8.903 1.00 0.00 N ATOM 0 H ARG B 119 -1.799 -6.783 6.739 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.808 -4.990 8.702 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.301 -7.642 8.765 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.881 -6.787 10.236 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -3.223 -4.854 9.594 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.464 -5.483 7.976 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.541 -7.563 9.183 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.631 -6.517 10.586 1.00 0.00 H new ATOM 0 HE ARG B 119 -6.059 -6.160 8.000 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.665 -4.944 11.302 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -7.144 -3.986 11.177 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -7.874 -4.977 7.952 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -8.350 -4.005 9.348 1.00 0.00 H new ATOM 1216 N GLN B 120 0.751 -7.912 8.600 1.00 0.00 N ATOM 1217 CA GLN B 120 1.988 -8.577 9.028 1.00 0.00 C ATOM 1218 C GLN B 120 3.255 -7.927 8.429 1.00 0.00 C ATOM 1219 O GLN B 120 4.305 -7.945 9.070 1.00 0.00 O ATOM 1220 CB GLN B 120 1.911 -10.088 8.762 1.00 0.00 C ATOM 1221 CG GLN B 120 2.071 -10.497 7.292 1.00 0.00 C ATOM 1222 CD GLN B 120 1.636 -11.939 7.047 1.00 0.00 C ATOM 1223 OE1 GLN B 120 2.446 -12.841 6.846 1.00 0.00 O ATOM 1224 NE2 GLN B 120 0.354 -12.214 7.058 1.00 0.00 N ATOM 0 H GLN B 120 0.175 -8.470 7.970 1.00 0.00 H new ATOM 0 HA GLN B 120 2.080 -8.438 10.105 1.00 0.00 H new ATOM 0 HB2 GLN B 120 2.685 -10.585 9.348 1.00 0.00 H new ATOM 0 HB3 GLN B 120 0.951 -10.457 9.124 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.481 -9.829 6.664 1.00 0.00 H new ATOM 0 HG3 GLN B 120 3.113 -10.377 6.994 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -0.325 -11.472 7.224 1.00 0.00 H new ATOM 0 HE22 GLN B 120 0.036 -13.170 6.901 1.00 0.00 H new ATOM 1233 N GLU B 121 3.163 -7.287 7.252 1.00 0.00 N ATOM 1234 CA GLU B 121 4.244 -6.455 6.690 1.00 0.00 C ATOM 1235 C GLU B 121 4.545 -5.222 7.556 1.00 0.00 C ATOM 1236 O GLU B 121 5.710 -4.856 7.727 1.00 0.00 O ATOM 1237 CB GLU B 121 3.886 -6.010 5.260 1.00 0.00 C ATOM 1238 CG GLU B 121 4.139 -7.091 4.204 1.00 0.00 C ATOM 1239 CD GLU B 121 5.623 -7.473 4.072 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.499 -6.675 4.483 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.906 -8.578 3.549 1.00 0.00 O1- ATOM 0 H GLU B 121 2.334 -7.331 6.660 1.00 0.00 H new ATOM 0 HA GLU B 121 5.143 -7.071 6.671 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.835 -5.722 5.230 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.467 -5.123 5.007 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.563 -7.980 4.459 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.774 -6.740 3.239 1.00 0.00 H new ATOM 1248 N MET B 122 3.514 -4.615 8.147 1.00 0.00 N ATOM 1249 CA MET B 122 3.630 -3.497 9.101 1.00 0.00 C ATOM 1250 C MET B 122 4.038 -3.946 10.517 1.00 0.00 C ATOM 1251 O MET B 122 4.258 -3.102 11.392 1.00 0.00 O ATOM 1252 CB MET B 122 2.301 -2.735 9.150 1.00 0.00 C ATOM 1253 CG MET B 122 1.969 -2.098 7.798 1.00 0.00 C ATOM 1254 SD MET B 122 0.216 -1.734 7.598 1.00 0.00 S ATOM 1255 CE MET B 122 0.221 -1.510 5.812 1.00 0.00 C ATOM 0 H MET B 122 2.547 -4.891 7.974 1.00 0.00 H new ATOM 0 HA MET B 122 4.430 -2.848 8.744 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.500 -3.416 9.439 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.352 -1.961 9.915 1.00 0.00 H new ATOM 0 HG2 MET B 122 2.540 -1.176 7.688 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.288 -2.768 7.000 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.695 -1.004 5.506 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.082 -0.908 5.523 1.00 0.00 H new ATOM 0 HE3 MET B 122 0.278 -2.483 5.323 1.00 0.00 H new ATOM 1349 N SER B 133 -17.124 0.473 5.494 1.00 0.00 N ATOM 1350 CA SER B 133 -17.525 1.880 5.323 1.00 0.00 C ATOM 1351 C SER B 133 -16.436 2.679 4.581 1.00 0.00 C ATOM 1352 O SER B 133 -15.266 2.291 4.594 1.00 0.00 O ATOM 1353 CB SER B 133 -17.801 2.489 6.706 1.00 0.00 C ATOM 1354 OG SER B 133 -18.244 3.838 6.616 1.00 0.00 O ATOM 0 HA SER B 133 -18.430 1.926 4.717 1.00 0.00 H new ATOM 0 HB2 SER B 133 -18.555 1.893 7.220 1.00 0.00 H new ATOM 0 HB3 SER B 133 -16.894 2.445 7.309 1.00 0.00 H new ATOM 0 HG SER B 133 -19.136 3.917 7.014 1.00 0.00 H new ATOM 1360 N MET B 134 -16.778 3.820 3.966 1.00 0.00 N ATOM 1361 CA MET B 134 -15.816 4.673 3.246 1.00 0.00 C ATOM 1362 C MET B 134 -14.650 5.139 4.133 1.00 0.00 C ATOM 1363 O MET B 134 -13.509 5.180 3.678 1.00 0.00 O ATOM 1364 CB MET B 134 -16.527 5.882 2.613 1.00 0.00 C ATOM 1365 CG MET B 134 -16.906 5.572 1.157 1.00 0.00 C ATOM 1366 SD MET B 134 -15.470 5.517 0.043 1.00 0.00 S ATOM 1367 CE MET B 134 -16.170 4.587 -1.348 1.00 0.00 C ATOM 0 H MET B 134 -17.732 4.180 3.953 1.00 0.00 H new ATOM 0 HA MET B 134 -15.386 4.057 2.456 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.422 6.127 3.185 1.00 0.00 H new ATOM 0 HB3 MET B 134 -15.876 6.756 2.649 1.00 0.00 H new ATOM 0 HG2 MET B 134 -17.425 4.614 1.119 1.00 0.00 H new ATOM 0 HG3 MET B 134 -17.606 6.328 0.801 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.413 4.466 -2.122 1.00 0.00 H new ATOM 0 HE2 MET B 134 -16.496 3.606 -1.002 1.00 0.00 H new ATOM 0 HE3 MET B 134 -17.023 5.130 -1.756 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.906 5.397 5.415 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.871 5.733 6.401 1.00 0.00 C ATOM 1379 C GLN B 135 -12.911 4.563 6.709 1.00 0.00 C ATOM 1380 O GLN B 135 -11.775 4.802 7.112 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.546 6.251 7.690 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.300 5.162 8.465 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.412 5.744 9.330 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -16.183 6.421 10.327 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -17.665 5.507 8.997 1.00 0.00 N ATOM 0 H GLN B 135 -15.848 5.379 5.806 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.247 6.514 5.966 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -13.786 6.688 8.338 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.241 7.049 7.431 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -15.725 4.445 7.762 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -14.599 4.614 9.095 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -17.876 4.946 8.171 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -18.424 5.884 9.565 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.321 3.311 6.507 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.465 2.132 6.690 1.00 0.00 C ATOM 1396 C ASP B 136 -11.495 1.955 5.512 1.00 0.00 C ATOM 1397 O ASP B 136 -10.287 1.841 5.712 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.295 0.851 6.870 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.360 0.912 7.978 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.438 0.292 7.803 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.129 1.547 9.035 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.269 3.081 6.208 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.888 2.303 7.599 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -13.789 0.621 5.926 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.617 0.025 7.085 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.005 1.996 4.274 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.191 1.884 3.049 1.00 0.00 C ATOM 1408 C ILE B 137 -10.222 3.064 2.892 1.00 0.00 C ATOM 1409 O ILE B 137 -9.054 2.836 2.569 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.080 1.653 1.802 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.229 1.550 0.515 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.172 2.718 1.645 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.048 1.209 -0.740 1.00 0.00 C ATOM 0 H ILE B 137 -13.002 2.109 4.089 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.562 0.999 3.147 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.585 0.700 1.961 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.712 2.496 0.355 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.463 0.788 0.656 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.763 2.504 0.755 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.820 2.707 2.522 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.711 3.701 1.547 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.385 1.153 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.544 0.248 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.797 1.983 -0.907 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.638 4.303 3.196 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.750 5.473 3.144 1.00 0.00 C ATOM 1427 C GLN B 138 -8.556 5.327 4.103 1.00 0.00 C ATOM 1428 O GLN B 138 -7.438 5.672 3.730 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.518 6.770 3.461 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.339 7.267 2.263 1.00 0.00 C ATOM 1431 CD GLN B 138 -12.115 8.547 2.592 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -13.313 8.535 2.854 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.477 9.702 2.618 1.00 0.00 N ATOM 0 H GLN B 138 -11.592 4.521 3.483 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.365 5.531 2.126 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.182 6.599 4.308 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.812 7.544 3.761 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.674 7.453 1.419 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -12.037 6.489 1.954 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.480 9.739 2.404 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.981 10.558 2.852 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.759 4.781 5.308 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.674 4.529 6.261 1.00 0.00 C ATOM 1444 C GLN B 139 -6.805 3.324 5.854 1.00 0.00 C ATOM 1445 O GLN B 139 -5.582 3.443 5.796 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.249 4.344 7.674 1.00 0.00 C ATOM 1447 CG GLN B 139 -8.735 5.679 8.264 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.361 5.496 9.646 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -8.739 5.734 10.674 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -10.597 5.045 9.718 1.00 0.00 N ATOM 0 H GLN B 139 -9.679 4.502 5.649 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.018 5.400 6.255 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.077 3.636 7.641 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.488 3.913 8.324 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -7.896 6.372 8.334 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.465 6.129 7.591 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.118 4.846 8.864 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.033 4.895 10.628 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.411 2.179 5.532 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.703 0.927 5.244 1.00 0.00 C ATOM 1461 C LEU B 140 -5.867 0.988 3.950 1.00 0.00 C ATOM 1462 O LEU B 140 -4.726 0.521 3.929 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.753 -0.201 5.219 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.197 -1.631 5.054 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -6.256 -2.026 6.198 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.360 -2.631 5.047 1.00 0.00 C ATOM 0 H LEU B 140 -8.425 2.093 5.463 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.967 0.736 6.025 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.326 -0.159 6.145 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -8.449 -0.006 4.404 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.640 -1.650 4.117 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -5.892 -3.040 6.036 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -5.411 -1.338 6.229 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -6.795 -1.981 7.144 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.970 -3.642 4.931 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -8.907 -2.559 5.987 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -9.031 -2.403 4.218 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.394 1.614 2.894 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.677 1.820 1.629 1.00 0.00 C ATOM 1480 C LEU B 141 -4.601 2.922 1.730 1.00 0.00 C ATOM 1481 O LEU B 141 -3.576 2.845 1.054 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.724 2.074 0.525 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.191 2.065 -0.916 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.580 0.714 -1.292 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.347 2.316 -1.886 1.00 0.00 C ATOM 0 H LEU B 141 -7.340 1.996 2.892 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.108 0.926 1.373 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.504 1.317 0.609 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.195 3.039 0.712 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.427 2.840 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.216 0.752 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.751 0.490 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.337 -0.065 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.971 2.310 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.096 1.533 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.799 3.284 -1.671 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.775 3.911 2.617 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.727 4.881 2.956 1.00 0.00 C ATOM 1499 C ALA B 142 -2.602 4.277 3.834 1.00 0.00 C ATOM 1500 O ALA B 142 -1.447 4.686 3.703 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.364 6.102 3.624 1.00 0.00 C ATOM 0 H ALA B 142 -5.649 4.061 3.121 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.241 5.185 2.029 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.588 6.824 3.877 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.077 6.561 2.939 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.881 5.792 4.532 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.905 3.299 4.703 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.937 2.610 5.573 1.00 0.00 C ATOM 1509 C LYS B 143 -0.889 1.847 4.756 1.00 0.00 C ATOM 1510 O LYS B 143 0.313 2.027 4.959 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.713 1.688 6.534 1.00 0.00 C ATOM 1512 CG LYS B 143 -1.904 1.287 7.771 1.00 0.00 C ATOM 1513 CD LYS B 143 -2.657 0.209 8.567 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.875 -0.234 9.815 1.00 0.00 C ATOM 1515 NZ LYS B 143 -2.438 -1.489 10.378 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.858 2.956 4.823 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.381 3.343 6.157 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.626 2.192 6.852 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -3.016 0.788 5.999 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -0.926 0.911 7.470 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -1.730 2.160 8.400 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -3.632 0.594 8.867 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.838 -0.654 7.927 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -0.827 -0.385 9.557 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.908 0.554 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -1.893 -1.767 11.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -3.431 -1.335 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -2.384 -2.244 9.665 1.00 0.00 H new ATOM 1529 N SER B 144 -1.339 1.045 3.787 1.00 0.00 N ATOM 1530 CA SER B 144 -0.462 0.332 2.845 1.00 0.00 C ATOM 1531 C SER B 144 0.312 1.281 1.913 1.00 0.00 C ATOM 1532 O SER B 144 1.507 1.068 1.694 1.00 0.00 O ATOM 1533 CB SER B 144 -1.276 -0.697 2.056 1.00 0.00 C ATOM 1534 OG SER B 144 -2.339 -0.087 1.341 1.00 0.00 O ATOM 0 H SER B 144 -2.331 0.869 3.630 1.00 0.00 H new ATOM 0 HA SER B 144 0.297 -0.189 3.429 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.622 -1.222 1.359 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.679 -1.444 2.740 1.00 0.00 H new ATOM 0 HG SER B 144 -2.028 0.167 0.447 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.295 2.384 1.455 1.00 0.00 N ATOM 1541 CA LEU B 145 0.391 3.438 0.686 1.00 0.00 C ATOM 1542 C LEU B 145 1.496 4.145 1.502 1.00 0.00 C ATOM 1543 O LEU B 145 2.593 4.374 0.995 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.695 4.370 0.112 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.282 5.598 -0.728 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.086 6.806 0.126 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.837 5.301 -1.727 1.00 0.00 C ATOM 0 H LEU B 145 -1.285 2.574 1.608 1.00 0.00 H new ATOM 0 HA LEU B 145 0.950 3.011 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.355 3.760 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.289 4.734 0.951 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.176 5.848 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.367 7.637 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.770 7.095 0.736 1.00 0.00 H new ATOM 0 HD13 LEU B 145 0.924 6.551 0.775 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.078 6.207 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.722 4.959 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.510 4.526 -2.420 1.00 0.00 H new ATOM 1559 N THR B 146 1.272 4.415 2.792 1.00 0.00 N ATOM 1560 CA THR B 146 2.314 4.961 3.697 1.00 0.00 C ATOM 1561 C THR B 146 3.475 3.973 3.885 1.00 0.00 C ATOM 1562 O THR B 146 4.644 4.365 3.852 1.00 0.00 O ATOM 1563 CB THR B 146 1.699 5.336 5.061 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.717 6.337 4.892 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.727 5.896 6.043 1.00 0.00 C ATOM 0 H THR B 146 0.371 4.266 3.246 1.00 0.00 H new ATOM 0 HA THR B 146 2.718 5.860 3.232 1.00 0.00 H new ATOM 0 HB THR B 146 1.281 4.412 5.462 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.081 5.946 4.480 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.235 6.141 6.984 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.502 5.151 6.222 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.178 6.796 5.624 1.00 0.00 H new ATOM 1573 N GLU B 147 3.176 2.675 4.007 1.00 0.00 N ATOM 1574 CA GLU B 147 4.170 1.596 4.094 1.00 0.00 C ATOM 1575 C GLU B 147 4.974 1.424 2.782 1.00 0.00 C ATOM 1576 O GLU B 147 6.153 1.080 2.846 1.00 0.00 O ATOM 1577 CB GLU B 147 3.437 0.302 4.513 1.00 0.00 C ATOM 1578 CG GLU B 147 4.278 -0.973 4.696 1.00 0.00 C ATOM 1579 CD GLU B 147 5.177 -0.995 5.932 1.00 0.00 C ATOM 1580 OE1 GLU B 147 4.956 -0.204 6.880 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.106 -1.836 5.991 1.00 0.00 O1- ATOM 0 H GLU B 147 2.215 2.336 4.049 1.00 0.00 H new ATOM 0 HA GLU B 147 4.917 1.850 4.846 1.00 0.00 H new ATOM 0 HB2 GLU B 147 2.920 0.499 5.452 1.00 0.00 H new ATOM 0 HB3 GLU B 147 2.672 0.094 3.765 1.00 0.00 H new ATOM 0 HG2 GLU B 147 3.604 -1.828 4.743 1.00 0.00 H new ATOM 0 HG3 GLU B 147 4.902 -1.106 3.812 1.00 0.00 H new ATOM 1588 N ILE B 148 4.419 1.742 1.602 1.00 0.00 N ATOM 1589 CA ILE B 148 5.207 1.919 0.360 1.00 0.00 C ATOM 1590 C ILE B 148 6.165 3.108 0.524 1.00 0.00 C ATOM 1591 O ILE B 148 7.383 2.943 0.429 1.00 0.00 O ATOM 1592 CB ILE B 148 4.330 2.115 -0.906 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.483 0.874 -1.236 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.204 2.497 -2.123 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.378 1.164 -2.265 1.00 0.00 C ATOM 0 H ILE B 148 3.417 1.884 1.476 1.00 0.00 H new ATOM 0 HA ILE B 148 5.766 0.996 0.207 1.00 0.00 H new ATOM 0 HB ILE B 148 3.641 2.930 -0.685 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.133 0.087 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.030 0.495 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.570 2.630 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.733 3.427 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.927 1.704 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.813 0.252 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.708 1.930 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.828 1.516 -3.193 1.00 0.00 H new ATOM 1607 N LYS B 149 5.622 4.312 0.767 1.00 0.00 N ATOM 1608 CA LYS B 149 6.385 5.575 0.733 1.00 0.00 C ATOM 1609 C LYS B 149 7.576 5.571 1.695 1.00 0.00 C ATOM 1610 O LYS B 149 8.668 5.982 1.303 1.00 0.00 O ATOM 1611 CB LYS B 149 5.450 6.753 1.050 1.00 0.00 C ATOM 1612 CG LYS B 149 4.570 7.134 -0.151 1.00 0.00 C ATOM 1613 CD LYS B 149 3.648 8.306 0.229 1.00 0.00 C ATOM 1614 CE LYS B 149 2.801 8.800 -0.950 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.598 9.587 -1.930 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.636 4.440 0.994 1.00 0.00 H new ATOM 0 HA LYS B 149 6.792 5.683 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.814 6.493 1.896 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.044 7.616 1.351 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.196 7.412 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS B 149 3.974 6.277 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS B 149 2.989 7.996 1.040 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.252 9.130 0.607 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.351 7.945 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS B 149 1.983 9.414 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 2.956 10.094 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.193 10.273 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.203 8.945 -2.481 1.00 0.00 H new ATOM 1629 N ARG B 150 7.399 5.056 2.918 1.00 0.00 N ATOM 1630 CA ARG B 150 8.464 4.988 3.928 1.00 0.00 C ATOM 1631 C ARG B 150 9.583 4.002 3.563 1.00 0.00 C ATOM 1632 O ARG B 150 10.744 4.277 3.864 1.00 0.00 O ATOM 1633 CB ARG B 150 7.842 4.761 5.316 1.00 0.00 C ATOM 1634 CG ARG B 150 7.500 3.306 5.656 1.00 0.00 C ATOM 1635 CD ARG B 150 6.789 3.243 7.013 1.00 0.00 C ATOM 1636 NE ARG B 150 6.685 1.852 7.485 1.00 0.00 N ATOM 1637 CZ ARG B 150 7.551 1.165 8.206 1.00 0.00 C ATOM 1638 NH1 ARG B 150 8.634 1.688 8.713 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 7.319 -0.094 8.413 1.00 0.00 N ATOM 0 H ARG B 150 6.509 4.673 3.237 1.00 0.00 H new ATOM 0 HA ARG B 150 8.981 5.947 3.957 1.00 0.00 H new ATOM 0 HB2 ARG B 150 8.532 5.140 6.070 1.00 0.00 H new ATOM 0 HB3 ARG B 150 6.932 5.356 5.389 1.00 0.00 H new ATOM 0 HG2 ARG B 150 6.862 2.882 4.881 1.00 0.00 H new ATOM 0 HG3 ARG B 150 8.410 2.706 5.683 1.00 0.00 H new ATOM 0 HD2 ARG B 150 7.336 3.840 7.743 1.00 0.00 H new ATOM 0 HD3 ARG B 150 5.793 3.678 6.927 1.00 0.00 H new ATOM 0 HE ARG B 150 5.834 1.356 7.221 1.00 0.00 H new ATOM 0 HH11 ARG B 150 8.844 2.674 8.559 1.00 0.00 H new ATOM 0 HH12 ARG B 150 9.270 1.111 9.263 1.00 0.00 H new ATOM 0 HH21 ARG B 150 6.484 -0.530 8.022 1.00 0.00 H new ATOM 0 HH22 ARG B 150 7.972 -0.649 8.967 1.00 0.00 H new ATOM 1653 N LEU B 151 9.271 2.903 2.869 1.00 0.00 N ATOM 1654 CA LEU B 151 10.259 1.942 2.361 1.00 0.00 C ATOM 1655 C LEU B 151 10.999 2.471 1.122 1.00 0.00 C ATOM 1656 O LEU B 151 12.216 2.301 1.033 1.00 0.00 O ATOM 1657 CB LEU B 151 9.576 0.589 2.065 1.00 0.00 C ATOM 1658 CG LEU B 151 9.587 -0.441 3.209 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.005 -0.948 3.482 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.011 0.082 4.525 1.00 0.00 C ATOM 0 H LEU B 151 8.310 2.651 2.640 1.00 0.00 H new ATOM 0 HA LEU B 151 11.012 1.797 3.136 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.540 0.782 1.787 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.061 0.143 1.197 1.00 0.00 H new ATOM 0 HG LEU B 151 8.943 -1.248 2.858 1.00 0.00 H new ATOM 0 HD11 LEU B 151 10.982 -1.674 4.295 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.401 -1.421 2.584 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.643 -0.110 3.762 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.055 -0.704 5.279 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.593 0.941 4.861 1.00 0.00 H new ATOM 0 HD23 LEU B 151 7.974 0.383 4.374 1.00 0.00 H new ATOM 1672 N LYS B 152 10.303 3.153 0.202 1.00 0.00 N ATOM 1673 CA LYS B 152 10.937 3.854 -0.936 1.00 0.00 C ATOM 1674 C LYS B 152 11.925 4.920 -0.451 1.00 0.00 C ATOM 1675 O LYS B 152 13.060 4.975 -0.932 1.00 0.00 O ATOM 1676 CB LYS B 152 9.875 4.466 -1.879 1.00 0.00 C ATOM 1677 CG LYS B 152 9.048 3.389 -2.605 1.00 0.00 C ATOM 1678 CD LYS B 152 8.073 3.934 -3.660 1.00 0.00 C ATOM 1679 CE LYS B 152 8.839 4.375 -4.910 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.936 4.862 -5.978 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.287 3.237 0.221 1.00 0.00 H new ATOM 0 HA LYS B 152 11.500 3.115 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.207 5.107 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.369 5.100 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS B 152 9.731 2.689 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.482 2.823 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.344 3.167 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS B 152 7.516 4.776 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.542 5.164 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS B 152 9.427 3.538 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 8.501 5.259 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.362 4.071 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 7.310 5.598 -5.594 1.00 0.00 H new ATOM 1694 N ALA B 153 11.539 5.696 0.567 1.00 0.00 N ATOM 1695 CA ALA B 153 12.403 6.672 1.229 1.00 0.00 C ATOM 1696 C ALA B 153 13.614 6.017 1.931 1.00 0.00 C ATOM 1697 O ALA B 153 14.736 6.483 1.749 1.00 0.00 O ATOM 1698 CB ALA B 153 11.554 7.500 2.203 1.00 0.00 C ATOM 0 H ALA B 153 10.598 5.661 0.960 1.00 0.00 H new ATOM 0 HA ALA B 153 12.832 7.329 0.472 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.186 8.233 2.704 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.767 8.016 1.652 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.104 6.840 2.945 1.00 0.00 H new ATOM 1704 N ALA B 154 13.425 4.923 2.685 1.00 0.00 N ATOM 1705 CA ALA B 154 14.507 4.219 3.387 1.00 0.00 C ATOM 1706 C ALA B 154 15.553 3.613 2.426 1.00 0.00 C ATOM 1707 O ALA B 154 16.756 3.733 2.663 1.00 0.00 O ATOM 1708 CB ALA B 154 13.889 3.134 4.282 1.00 0.00 C ATOM 0 H ALA B 154 12.508 4.499 2.825 1.00 0.00 H new ATOM 0 HA ALA B 154 15.048 4.945 3.994 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.681 2.603 4.810 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.219 3.598 5.006 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.328 2.431 3.667 1.00 0.00 H new ATOM 1714 N ASN B 155 15.107 3.013 1.317 1.00 0.00 N ATOM 1715 CA ASN B 155 15.973 2.481 0.261 1.00 0.00 C ATOM 1716 C ASN B 155 16.804 3.599 -0.405 1.00 0.00 C ATOM 1717 O ASN B 155 18.003 3.437 -0.629 1.00 0.00 O ATOM 1718 CB ASN B 155 15.079 1.709 -0.730 1.00 0.00 C ATOM 1719 CG ASN B 155 15.849 0.950 -1.799 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.558 1.514 -2.617 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.712 -0.358 -1.849 1.00 0.00 N ATOM 0 H ASN B 155 14.114 2.881 1.125 1.00 0.00 H new ATOM 0 HA ASN B 155 16.713 1.795 0.674 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.462 1.004 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.402 2.412 -1.215 1.00 0.00 H new ATOM 0 HD21 ASN B 155 16.197 -0.894 -2.568 1.00 0.00 H new ATOM 0 HD22 ASN B 155 15.121 -0.835 -1.168 1.00 0.00 H new ATOM 1728 N GLN B 156 16.207 4.771 -0.647 1.00 0.00 N ATOM 1729 CA GLN B 156 16.903 5.943 -1.205 1.00 0.00 C ATOM 1730 C GLN B 156 17.847 6.637 -0.191 1.00 0.00 C ATOM 1731 O GLN B 156 18.872 7.202 -0.576 1.00 0.00 O ATOM 1732 CB GLN B 156 15.843 6.901 -1.775 1.00 0.00 C ATOM 1733 CG GLN B 156 16.458 8.069 -2.563 1.00 0.00 C ATOM 1734 CD GLN B 156 15.442 8.890 -3.364 1.00 0.00 C ATOM 1735 OE1 GLN B 156 14.228 8.743 -3.267 1.00 0.00 O ATOM 1736 NE2 GLN B 156 15.902 9.807 -4.189 1.00 0.00 N ATOM 0 H GLN B 156 15.218 4.938 -0.460 1.00 0.00 H new ATOM 0 HA GLN B 156 17.568 5.612 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.169 6.344 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.241 7.297 -0.957 1.00 0.00 H new ATOM 0 HG2 GLN B 156 16.975 8.730 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.210 7.675 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN B 156 16.908 9.947 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN B 156 15.253 10.377 -4.731 1.00 0.00 H new