USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= 0.949 K(o=3.3,f=-13!) USER MOD Set 1.2: B 16 LYS NZ :NH3+ -170:sc= 2.35 (180deg=0.525) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -170:sc= 2.03 (180deg=0.731) USER MOD Set 2.2: B 17 ASN : amide:sc= 1 K(o=3,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.332 USER MOD Single : A 3 MET CE :methyl -160:sc= -0.102 (180deg=-0.561) USER MOD Single : A 4 LYS NZ :NH3+ -171:sc=-0.00697 (180deg=-0.113) USER MOD Single : A 5 GLN : amide:sc= -3.09! C(o=-3.1!,f=-2.5!) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc=-0.00227 (180deg=-0.0719) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=1.1) USER MOD Single : A 28 LYS NZ :NH3+ 143:sc= 1.28 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -123:sc= 0.105 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.283 USER MOD Single : B 3 MET CE :methyl -160:sc= -0.107 (180deg=-0.571) USER MOD Single : B 4 LYS NZ :NH3+ -171:sc= -0.0058 (180deg=-0.11) USER MOD Single : B 5 GLN : amide:sc= -3.15! C(o=-3.1!,f=-2.6!) USER MOD Single : B 9 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0551) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.0079) USER MOD Single : B 22 ASN : amide:sc= 0 K(o=0,f=1) USER MOD Single : B 28 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.897) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.372 -2.733 -7.644 1.00 0.00 N ATOM 2 CA GLY A 1 20.427 -1.251 -7.639 1.00 0.00 C ATOM 3 C GLY A 1 21.353 -0.730 -6.562 1.00 0.00 C ATOM 4 O GLY A 1 22.107 -1.498 -5.964 1.00 0.00 O ATOM 0 H1 GLY A 1 20.627 -3.087 -8.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.041 -3.108 -6.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.409 -3.045 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.765 -0.896 -8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.425 -0.850 -7.483 1.00 0.00 H new ATOM 10 N SER A 2 21.304 0.569 -6.314 1.00 0.00 N ATOM 11 CA SER A 2 22.111 1.173 -5.269 1.00 0.00 C ATOM 12 C SER A 2 21.338 1.218 -3.952 1.00 0.00 C ATOM 13 O SER A 2 20.168 0.828 -3.903 1.00 0.00 O ATOM 14 CB SER A 2 22.526 2.584 -5.689 1.00 0.00 C ATOM 15 OG SER A 2 21.387 3.395 -5.932 1.00 0.00 O ATOM 0 H SER A 2 20.713 1.225 -6.824 1.00 0.00 H new ATOM 0 HA SER A 2 23.005 0.567 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.139 3.035 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.141 2.534 -6.588 1.00 0.00 H new ATOM 0 HG SER A 2 21.676 4.293 -6.197 1.00 0.00 H new ATOM 21 N MET A 3 21.981 1.690 -2.892 1.00 0.00 N ATOM 22 CA MET A 3 21.323 1.807 -1.597 1.00 0.00 C ATOM 23 C MET A 3 20.206 2.844 -1.667 1.00 0.00 C ATOM 24 O MET A 3 19.074 2.584 -1.255 1.00 0.00 O ATOM 25 CB MET A 3 22.332 2.186 -0.508 1.00 0.00 C ATOM 26 CG MET A 3 21.715 2.303 0.879 1.00 0.00 C ATOM 27 SD MET A 3 22.921 2.735 2.151 1.00 0.00 S ATOM 28 CE MET A 3 23.995 1.302 2.109 1.00 0.00 C ATOM 0 H MET A 3 22.954 1.997 -2.903 1.00 0.00 H new ATOM 0 HA MET A 3 20.891 0.839 -1.341 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.125 1.438 -0.482 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.798 3.136 -0.771 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.929 3.058 0.859 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.241 1.357 1.141 1.00 0.00 H new ATOM 0 HE1 MET A 3 24.557 1.241 3.041 1.00 0.00 H new ATOM 0 HE2 MET A 3 23.394 0.401 1.988 1.00 0.00 H new ATOM 0 HE3 MET A 3 24.688 1.391 1.273 1.00 0.00 H new ATOM 38 N LYS A 4 20.528 4.010 -2.217 1.00 0.00 N ATOM 39 CA LYS A 4 19.546 5.081 -2.373 1.00 0.00 C ATOM 40 C LYS A 4 18.416 4.663 -3.313 1.00 0.00 C ATOM 41 O LYS A 4 17.288 5.133 -3.179 1.00 0.00 O ATOM 42 CB LYS A 4 20.205 6.368 -2.883 1.00 0.00 C ATOM 43 CG LYS A 4 20.859 7.208 -1.794 1.00 0.00 C ATOM 44 CD LYS A 4 22.043 6.500 -1.157 1.00 0.00 C ATOM 45 CE LYS A 4 22.656 7.326 -0.039 1.00 0.00 C ATOM 46 NZ LYS A 4 23.211 8.615 -0.531 1.00 0.00 N ATOM 0 H LYS A 4 21.460 4.239 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 4 19.122 5.277 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.958 6.107 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.452 6.972 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.190 8.156 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.122 7.442 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.722 5.536 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.798 6.298 -1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.900 7.525 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.448 6.752 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 23.750 9.074 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.839 8.436 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.432 9.238 -0.827 1.00 0.00 H new ATOM 60 N GLN A 5 18.721 3.777 -4.258 1.00 0.00 N ATOM 61 CA GLN A 5 17.712 3.250 -5.169 1.00 0.00 C ATOM 62 C GLN A 5 16.624 2.528 -4.381 1.00 0.00 C ATOM 63 O GLN A 5 15.433 2.714 -4.631 1.00 0.00 O ATOM 64 CB GLN A 5 18.374 2.313 -6.191 1.00 0.00 C ATOM 65 CG GLN A 5 17.444 1.796 -7.283 1.00 0.00 C ATOM 66 CD GLN A 5 16.634 0.574 -6.871 1.00 0.00 C ATOM 67 OE1 GLN A 5 15.509 0.379 -7.331 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.204 -0.268 -6.018 1.00 0.00 N ATOM 0 H GLN A 5 19.660 3.410 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 5 17.246 4.072 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.205 2.840 -6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.797 1.460 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.760 2.594 -7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.036 1.548 -8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.138 -0.074 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.708 -1.109 -5.723 1.00 0.00 H new ATOM 77 N LEU A 6 17.045 1.725 -3.409 1.00 0.00 N ATOM 78 CA LEU A 6 16.103 1.015 -2.548 1.00 0.00 C ATOM 79 C LEU A 6 15.358 2.000 -1.658 1.00 0.00 C ATOM 80 O LEU A 6 14.175 1.825 -1.377 1.00 0.00 O ATOM 81 CB LEU A 6 16.815 -0.031 -1.680 1.00 0.00 C ATOM 82 CG LEU A 6 17.431 -1.209 -2.439 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.208 -2.101 -1.487 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.347 -2.011 -3.144 1.00 0.00 C ATOM 0 H LEU A 6 18.027 1.549 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 6 15.392 0.497 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.603 0.467 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.102 -0.422 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 6 18.117 -0.816 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.640 -2.934 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.005 -1.525 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.537 -2.485 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.801 -2.845 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.641 -2.394 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.821 -1.369 -3.851 1.00 0.00 H new ATOM 96 N GLU A 7 16.062 3.039 -1.232 1.00 0.00 N ATOM 97 CA GLU A 7 15.492 4.071 -0.386 1.00 0.00 C ATOM 98 C GLU A 7 14.314 4.760 -1.084 1.00 0.00 C ATOM 99 O GLU A 7 13.307 5.082 -0.448 1.00 0.00 O ATOM 100 CB GLU A 7 16.584 5.085 -0.031 1.00 0.00 C ATOM 101 CG GLU A 7 16.150 6.162 0.941 1.00 0.00 C ATOM 102 CD GLU A 7 17.264 7.141 1.238 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.440 8.101 0.463 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.966 6.964 2.253 1.00 0.00 O ATOM 0 H GLU A 7 17.044 3.188 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 7 15.110 3.617 0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.434 4.551 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.933 5.560 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.296 6.699 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.817 5.699 1.870 1.00 0.00 H new ATOM 111 N ASP A 8 14.447 4.970 -2.391 1.00 0.00 N ATOM 112 CA ASP A 8 13.366 5.546 -3.193 1.00 0.00 C ATOM 113 C ASP A 8 12.141 4.642 -3.182 1.00 0.00 C ATOM 114 O ASP A 8 11.014 5.110 -3.035 1.00 0.00 O ATOM 115 CB ASP A 8 13.810 5.779 -4.638 1.00 0.00 C ATOM 116 CG ASP A 8 14.657 7.023 -4.804 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.846 6.898 -5.157 1.00 0.00 O ATOM 118 OD2 ASP A 8 14.131 8.137 -4.592 1.00 0.00 O ATOM 0 H ASP A 8 15.292 4.751 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 8 13.108 6.506 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.375 4.913 -4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.929 5.859 -5.275 1.00 0.00 H new ATOM 123 N LYS A 9 12.373 3.347 -3.354 1.00 0.00 N ATOM 124 CA LYS A 9 11.288 2.351 -3.292 1.00 0.00 C ATOM 125 C LYS A 9 10.560 2.444 -1.958 1.00 0.00 C ATOM 126 O LYS A 9 9.333 2.522 -1.913 1.00 0.00 O ATOM 127 CB LYS A 9 11.804 0.914 -3.431 1.00 0.00 C ATOM 128 CG LYS A 9 12.978 0.739 -4.395 1.00 0.00 C ATOM 129 CD LYS A 9 12.609 1.056 -5.842 1.00 0.00 C ATOM 130 CE LYS A 9 11.520 0.133 -6.370 1.00 0.00 C ATOM 131 NZ LYS A 9 11.964 -1.286 -6.429 1.00 0.00 N ATOM 0 H LYS A 9 13.296 2.953 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 9 10.622 2.576 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.105 0.555 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.982 0.280 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.797 1.387 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.342 -0.287 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.272 2.090 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.496 0.966 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.640 0.210 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.221 0.460 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.252 -1.852 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.872 -1.345 -6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.079 -1.654 -5.463 1.00 0.00 H new ATOM 145 N VAL A 10 11.344 2.449 -0.882 1.00 0.00 N ATOM 146 CA VAL A 10 10.816 2.491 0.481 1.00 0.00 C ATOM 147 C VAL A 10 9.945 3.725 0.632 1.00 0.00 C ATOM 148 O VAL A 10 8.894 3.709 1.270 1.00 0.00 O ATOM 149 CB VAL A 10 11.951 2.541 1.528 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.384 2.577 2.939 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.884 1.353 1.366 1.00 0.00 C ATOM 0 H VAL A 10 12.363 2.424 -0.930 1.00 0.00 H new ATOM 0 HA VAL A 10 10.236 1.584 0.653 1.00 0.00 H new ATOM 0 HB VAL A 10 12.521 3.455 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.202 2.612 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.758 3.462 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.785 1.683 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.676 1.408 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.322 0.428 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.324 1.369 0.369 1.00 0.00 H new ATOM 161 N GLU A 11 10.402 4.786 -0.005 1.00 0.00 N ATOM 162 CA GLU A 11 9.719 6.073 0.033 1.00 0.00 C ATOM 163 C GLU A 11 8.398 6.017 -0.745 1.00 0.00 C ATOM 164 O GLU A 11 7.339 6.347 -0.204 1.00 0.00 O ATOM 165 CB GLU A 11 10.629 7.162 -0.544 1.00 0.00 C ATOM 166 CG GLU A 11 10.545 8.498 0.181 1.00 0.00 C ATOM 167 CD GLU A 11 9.155 9.103 0.176 1.00 0.00 C ATOM 168 OE1 GLU A 11 8.715 9.592 -0.886 1.00 0.00 O ATOM 169 OE2 GLU A 11 8.504 9.107 1.240 1.00 0.00 O ATOM 0 H GLU A 11 11.255 4.784 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 11 9.489 6.311 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.660 6.810 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.374 7.314 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.870 8.364 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.239 9.199 -0.283 1.00 0.00 H new ATOM 176 N GLU A 12 8.463 5.585 -2.007 1.00 0.00 N ATOM 177 CA GLU A 12 7.278 5.561 -2.874 1.00 0.00 C ATOM 178 C GLU A 12 6.185 4.654 -2.316 1.00 0.00 C ATOM 179 O GLU A 12 5.024 5.056 -2.201 1.00 0.00 O ATOM 180 CB GLU A 12 7.662 5.103 -4.282 1.00 0.00 C ATOM 181 CG GLU A 12 8.404 6.160 -5.077 1.00 0.00 C ATOM 182 CD GLU A 12 7.551 7.381 -5.343 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.625 8.348 -4.557 1.00 0.00 O ATOM 184 OE2 GLU A 12 6.800 7.380 -6.340 1.00 0.00 O ATOM 0 H GLU A 12 9.317 5.249 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 12 6.883 6.576 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.284 4.211 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.759 4.819 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.301 6.457 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.732 5.735 -6.026 1.00 0.00 H new ATOM 191 N LEU A 13 6.569 3.432 -2.000 1.00 0.00 N ATOM 192 CA LEU A 13 5.672 2.438 -1.418 1.00 0.00 C ATOM 193 C LEU A 13 4.944 2.955 -0.174 1.00 0.00 C ATOM 194 O LEU A 13 3.802 2.588 0.058 1.00 0.00 O ATOM 195 CB LEU A 13 6.454 1.172 -1.073 1.00 0.00 C ATOM 196 CG LEU A 13 7.063 0.443 -2.270 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.995 -0.660 -1.800 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.969 -0.125 -3.162 1.00 0.00 C ATOM 0 H LEU A 13 7.521 3.093 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 13 4.911 2.216 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.254 1.435 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.791 0.485 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 13 7.642 1.159 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.421 -1.170 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.797 -0.228 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.437 -1.375 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.421 -0.641 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.362 -0.828 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.338 0.686 -3.526 1.00 0.00 H new ATOM 210 N LEU A 14 5.604 3.786 0.629 1.00 0.00 N ATOM 211 CA LEU A 14 4.952 4.401 1.797 1.00 0.00 C ATOM 212 C LEU A 14 3.761 5.249 1.366 1.00 0.00 C ATOM 213 O LEU A 14 2.683 5.169 1.956 1.00 0.00 O ATOM 214 CB LEU A 14 5.914 5.271 2.636 1.00 0.00 C ATOM 215 CG LEU A 14 6.403 4.649 3.955 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.262 4.528 4.953 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.031 3.290 3.713 1.00 0.00 C ATOM 0 H LEU A 14 6.580 4.051 0.500 1.00 0.00 H new ATOM 0 HA LEU A 14 4.617 3.575 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.784 5.510 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.416 6.214 2.864 1.00 0.00 H new ATOM 0 HG LEU A 14 7.161 5.311 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.633 4.085 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.855 5.517 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.479 3.894 4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.369 2.871 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.295 2.624 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.882 3.397 3.040 1.00 0.00 H new ATOM 229 N SER A 15 3.961 6.057 0.333 1.00 0.00 N ATOM 230 CA SER A 15 2.891 6.878 -0.211 1.00 0.00 C ATOM 231 C SER A 15 1.768 5.986 -0.734 1.00 0.00 C ATOM 232 O SER A 15 0.586 6.289 -0.560 1.00 0.00 O ATOM 233 CB SER A 15 3.435 7.770 -1.330 1.00 0.00 C ATOM 234 OG SER A 15 2.460 8.692 -1.784 1.00 0.00 O ATOM 0 H SER A 15 4.856 6.160 -0.145 1.00 0.00 H new ATOM 0 HA SER A 15 2.491 7.516 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.310 8.312 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.765 7.149 -2.163 1.00 0.00 H new ATOM 0 HG SER A 15 2.841 9.246 -2.497 1.00 0.00 H new ATOM 240 N LYS A 16 2.153 4.873 -1.351 1.00 0.00 N ATOM 241 CA LYS A 16 1.193 3.897 -1.853 1.00 0.00 C ATOM 242 C LYS A 16 0.454 3.243 -0.687 1.00 0.00 C ATOM 243 O LYS A 16 -0.772 3.143 -0.696 1.00 0.00 O ATOM 244 CB LYS A 16 1.915 2.830 -2.682 1.00 0.00 C ATOM 245 CG LYS A 16 0.982 1.863 -3.394 1.00 0.00 C ATOM 246 CD LYS A 16 0.291 2.516 -4.583 1.00 0.00 C ATOM 247 CE LYS A 16 -0.695 1.566 -5.247 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.065 0.276 -5.626 1.00 0.00 N ATOM 0 H LYS A 16 3.128 4.624 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 16 0.469 4.407 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.544 3.324 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.578 2.264 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.548 0.996 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.231 1.499 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.233 3.413 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.038 2.833 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.527 1.376 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.111 2.040 -6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.721 -0.269 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.811 0.460 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.156 -0.268 -4.768 1.00 0.00 H new ATOM 262 N ASN A 17 1.223 2.817 0.314 1.00 0.00 N ATOM 263 CA ASN A 17 0.684 2.196 1.524 1.00 0.00 C ATOM 264 C ASN A 17 -0.421 3.052 2.130 1.00 0.00 C ATOM 265 O ASN A 17 -1.550 2.592 2.311 1.00 0.00 O ATOM 266 CB ASN A 17 1.819 1.995 2.543 1.00 0.00 C ATOM 267 CG ASN A 17 1.351 1.362 3.859 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.316 0.702 3.901 1.00 0.00 O ATOM 269 ND2 ASN A 17 2.133 1.494 4.938 1.00 0.00 N ATOM 0 H ASN A 17 2.240 2.893 0.309 1.00 0.00 H new ATOM 0 HA ASN A 17 0.254 1.230 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.589 1.364 2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.281 2.959 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.873 1.042 5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.989 2.046 4.883 1.00 0.00 H new ATOM 276 N TYR A 18 -0.105 4.312 2.392 1.00 0.00 N ATOM 277 CA TYR A 18 -1.052 5.212 3.049 1.00 0.00 C ATOM 278 C TYR A 18 -2.250 5.495 2.150 1.00 0.00 C ATOM 279 O TYR A 18 -3.370 5.666 2.632 1.00 0.00 O ATOM 280 CB TYR A 18 -0.385 6.533 3.456 1.00 0.00 C ATOM 281 CG TYR A 18 0.602 6.411 4.600 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.798 7.124 4.589 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.344 5.580 5.687 1.00 0.00 C ATOM 284 CE1 TYR A 18 2.702 7.010 5.626 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.244 5.466 6.727 1.00 0.00 C ATOM 286 CZ TYR A 18 2.420 6.179 6.691 1.00 0.00 C ATOM 287 OH TYR A 18 3.322 6.060 7.723 1.00 0.00 O ATOM 0 H TYR A 18 0.794 4.736 2.163 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.398 4.709 3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.131 6.947 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.160 7.246 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.022 7.776 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.576 5.015 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.626 7.569 5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.026 4.820 7.565 1.00 0.00 H new ATOM 0 HH TYR A 18 2.972 5.437 8.394 1.00 0.00 H new ATOM 297 N HIS A 19 -2.010 5.532 0.845 1.00 0.00 N ATOM 298 CA HIS A 19 -3.061 5.835 -0.117 1.00 0.00 C ATOM 299 C HIS A 19 -4.178 4.800 -0.036 1.00 0.00 C ATOM 300 O HIS A 19 -5.356 5.148 0.053 1.00 0.00 O ATOM 301 CB HIS A 19 -2.490 5.873 -1.540 1.00 0.00 C ATOM 302 CG HIS A 19 -3.434 6.439 -2.559 1.00 0.00 C ATOM 303 ND1 HIS A 19 -3.264 7.682 -3.127 1.00 0.00 N ATOM 304 CD2 HIS A 19 -4.556 5.924 -3.117 1.00 0.00 C ATOM 305 CE1 HIS A 19 -4.241 7.908 -3.985 1.00 0.00 C ATOM 306 NE2 HIS A 19 -5.036 6.856 -3.998 1.00 0.00 N ATOM 0 H HIS A 19 -1.096 5.356 0.429 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.472 6.815 0.127 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.575 6.466 -1.538 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.214 4.861 -1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.991 4.958 -2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.368 8.803 -4.576 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.873 6.753 -4.572 1.00 0.00 H new ATOM 315 N LEU A 20 -3.805 3.528 -0.052 1.00 0.00 N ATOM 316 CA LEU A 20 -4.791 2.459 -0.064 1.00 0.00 C ATOM 317 C LEU A 20 -5.429 2.283 1.308 1.00 0.00 C ATOM 318 O LEU A 20 -6.621 1.991 1.395 1.00 0.00 O ATOM 319 CB LEU A 20 -4.193 1.128 -0.537 1.00 0.00 C ATOM 320 CG LEU A 20 -3.922 0.996 -2.045 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.219 1.052 -2.829 1.00 0.00 C ATOM 322 CD2 LEU A 20 -2.969 2.065 -2.543 1.00 0.00 C ATOM 0 H LEU A 20 -2.835 3.214 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.561 2.754 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.255 0.968 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.868 0.326 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.450 0.026 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.005 0.957 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.869 0.236 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.716 2.004 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.804 1.936 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.398 3.050 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.018 1.979 -2.017 1.00 0.00 H new ATOM 334 N GLU A 21 -4.650 2.467 2.377 1.00 0.00 N ATOM 335 CA GLU A 21 -5.190 2.344 3.731 1.00 0.00 C ATOM 336 C GLU A 21 -6.352 3.316 3.930 1.00 0.00 C ATOM 337 O GLU A 21 -7.399 2.943 4.468 1.00 0.00 O ATOM 338 CB GLU A 21 -4.116 2.593 4.799 1.00 0.00 C ATOM 339 CG GLU A 21 -3.001 1.555 4.828 1.00 0.00 C ATOM 340 CD GLU A 21 -2.081 1.719 6.019 1.00 0.00 C ATOM 341 OE1 GLU A 21 -2.096 0.843 6.911 1.00 0.00 O ATOM 342 OE2 GLU A 21 -1.339 2.717 6.079 1.00 0.00 O ATOM 0 H GLU A 21 -3.658 2.698 2.332 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.548 1.321 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.676 3.576 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.595 2.621 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.439 0.557 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.417 1.629 3.910 1.00 0.00 H new ATOM 349 N ASN A 22 -6.171 4.556 3.478 1.00 0.00 N ATOM 350 CA ASN A 22 -7.229 5.560 3.556 1.00 0.00 C ATOM 351 C ASN A 22 -8.441 5.141 2.732 1.00 0.00 C ATOM 352 O ASN A 22 -9.573 5.212 3.207 1.00 0.00 O ATOM 353 CB ASN A 22 -6.734 6.933 3.088 1.00 0.00 C ATOM 354 CG ASN A 22 -5.951 7.673 4.158 1.00 0.00 C ATOM 355 OD1 ASN A 22 -4.730 7.560 4.244 1.00 0.00 O ATOM 356 ND2 ASN A 22 -6.652 8.433 4.988 1.00 0.00 N ATOM 0 H ASN A 22 -5.304 4.888 3.055 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.523 5.637 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.105 6.806 2.207 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.589 7.538 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.179 8.949 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.664 8.502 4.885 1.00 0.00 H new ATOM 363 N GLU A 23 -8.197 4.693 1.501 1.00 0.00 N ATOM 364 CA GLU A 23 -9.269 4.223 0.622 1.00 0.00 C ATOM 365 C GLU A 23 -10.065 3.097 1.273 1.00 0.00 C ATOM 366 O GLU A 23 -11.297 3.128 1.280 1.00 0.00 O ATOM 367 CB GLU A 23 -8.703 3.752 -0.720 1.00 0.00 C ATOM 368 CG GLU A 23 -8.566 4.861 -1.750 1.00 0.00 C ATOM 369 CD GLU A 23 -9.912 5.371 -2.230 1.00 0.00 C ATOM 370 OE1 GLU A 23 -10.507 6.236 -1.549 1.00 0.00 O ATOM 371 OE2 GLU A 23 -10.386 4.912 -3.291 1.00 0.00 O ATOM 0 H GLU A 23 -7.265 4.645 1.089 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.941 5.063 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.725 3.301 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.349 2.972 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.000 5.687 -1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.994 4.494 -2.602 1.00 0.00 H new ATOM 378 N VAL A 24 -9.356 2.117 1.825 1.00 0.00 N ATOM 379 CA VAL A 24 -9.992 1.000 2.510 1.00 0.00 C ATOM 380 C VAL A 24 -10.923 1.506 3.612 1.00 0.00 C ATOM 381 O VAL A 24 -12.102 1.162 3.644 1.00 0.00 O ATOM 382 CB VAL A 24 -8.948 0.038 3.124 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.614 -0.999 4.016 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.158 -0.656 2.032 1.00 0.00 C ATOM 0 H VAL A 24 -8.337 2.075 1.810 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.570 0.453 1.765 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.268 0.633 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.855 -1.661 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.143 -0.497 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.322 -1.583 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.428 -1.329 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.837 -1.228 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.640 0.089 1.428 1.00 0.00 H new ATOM 394 N ALA A 25 -10.382 2.346 4.494 1.00 0.00 N ATOM 395 CA ALA A 25 -11.134 2.882 5.632 1.00 0.00 C ATOM 396 C ALA A 25 -12.410 3.608 5.196 1.00 0.00 C ATOM 397 O ALA A 25 -13.449 3.502 5.855 1.00 0.00 O ATOM 398 CB ALA A 25 -10.250 3.816 6.442 1.00 0.00 C ATOM 0 H ALA A 25 -9.417 2.673 4.442 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.440 2.037 6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.815 4.211 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.383 3.268 6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.917 4.640 5.811 1.00 0.00 H new ATOM 404 N ARG A 26 -12.328 4.344 4.093 1.00 0.00 N ATOM 405 CA ARG A 26 -13.479 5.062 3.555 1.00 0.00 C ATOM 406 C ARG A 26 -14.550 4.078 3.121 1.00 0.00 C ATOM 407 O ARG A 26 -15.712 4.183 3.513 1.00 0.00 O ATOM 408 CB ARG A 26 -13.062 5.917 2.355 1.00 0.00 C ATOM 409 CG ARG A 26 -11.979 6.928 2.676 1.00 0.00 C ATOM 410 CD ARG A 26 -11.446 7.602 1.421 1.00 0.00 C ATOM 411 NE ARG A 26 -10.376 8.549 1.730 1.00 0.00 N ATOM 412 CZ ARG A 26 -9.239 8.654 1.041 1.00 0.00 C ATOM 413 NH1 ARG A 26 -9.010 7.876 -0.010 1.00 0.00 N ATOM 414 NH2 ARG A 26 -8.327 9.547 1.404 1.00 0.00 N ATOM 0 H ARG A 26 -11.472 4.460 3.551 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.875 5.711 4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.711 5.262 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.937 6.443 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.376 7.684 3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.161 6.431 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.074 6.845 0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.258 8.123 0.915 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.508 9.172 2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.707 7.189 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.137 7.965 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.496 10.151 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.457 9.629 0.879 1.00 0.00 H new ATOM 428 N LEU A 27 -14.139 3.113 2.320 1.00 0.00 N ATOM 429 CA LEU A 27 -15.053 2.111 1.794 1.00 0.00 C ATOM 430 C LEU A 27 -15.616 1.215 2.904 1.00 0.00 C ATOM 431 O LEU A 27 -16.710 0.666 2.764 1.00 0.00 O ATOM 432 CB LEU A 27 -14.339 1.271 0.736 1.00 0.00 C ATOM 433 CG LEU A 27 -13.713 2.069 -0.404 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.889 1.160 -1.295 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.785 2.781 -1.213 1.00 0.00 C ATOM 0 H LEU A 27 -13.172 3.000 2.017 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.898 2.627 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.558 0.687 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.051 0.562 0.315 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.054 2.823 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.449 1.744 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.095 0.697 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.529 0.384 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.317 3.344 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.472 2.046 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.336 3.464 -0.566 1.00 0.00 H new ATOM 447 N LYS A 28 -14.888 1.093 4.016 1.00 0.00 N ATOM 448 CA LYS A 28 -15.327 0.265 5.130 1.00 0.00 C ATOM 449 C LYS A 28 -16.565 0.869 5.770 1.00 0.00 C ATOM 450 O LYS A 28 -17.583 0.196 5.918 1.00 0.00 O ATOM 451 CB LYS A 28 -14.228 0.121 6.193 1.00 0.00 C ATOM 452 CG LYS A 28 -13.042 -0.740 5.783 1.00 0.00 C ATOM 453 CD LYS A 28 -13.411 -2.214 5.661 1.00 0.00 C ATOM 454 CE LYS A 28 -12.170 -3.078 5.459 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.501 -4.514 5.262 1.00 0.00 N ATOM 0 H LYS A 28 -13.993 1.559 4.164 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.556 -0.725 4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.863 1.115 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.670 -0.302 7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.651 -0.386 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.243 -0.627 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.939 -2.535 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.094 -2.353 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.615 -2.715 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.515 -2.975 6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.850 -4.928 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.406 -5.019 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.478 -4.601 4.918 1.00 0.00 H new ATOM 469 N LYS A 29 -16.482 2.151 6.133 1.00 0.00 N ATOM 470 CA LYS A 29 -17.608 2.830 6.770 1.00 0.00 C ATOM 471 C LYS A 29 -18.808 2.918 5.825 1.00 0.00 C ATOM 472 O LYS A 29 -19.943 3.083 6.266 1.00 0.00 O ATOM 473 CB LYS A 29 -17.206 4.228 7.247 1.00 0.00 C ATOM 474 CG LYS A 29 -16.801 5.170 6.130 1.00 0.00 C ATOM 475 CD LYS A 29 -16.602 6.582 6.644 1.00 0.00 C ATOM 476 CE LYS A 29 -16.317 7.546 5.504 1.00 0.00 C ATOM 477 NZ LYS A 29 -16.249 8.959 5.964 1.00 0.00 N ATOM 0 H LYS A 29 -15.655 2.733 5.998 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.899 2.238 7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.040 4.667 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.377 4.136 7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.879 4.815 5.669 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.567 5.168 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.493 6.905 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.776 6.600 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.374 7.275 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.095 7.450 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.053 9.579 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.157 9.228 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.490 9.059 6.668 1.00 0.00 H new ATOM 491 N LEU A 30 -18.552 2.806 4.527 1.00 0.00 N ATOM 492 CA LEU A 30 -19.623 2.826 3.540 1.00 0.00 C ATOM 493 C LEU A 30 -20.354 1.484 3.509 1.00 0.00 C ATOM 494 O LEU A 30 -21.574 1.436 3.649 1.00 0.00 O ATOM 495 CB LEU A 30 -19.074 3.167 2.151 1.00 0.00 C ATOM 496 CG LEU A 30 -18.415 4.545 2.032 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.919 4.780 0.615 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.386 5.640 2.445 1.00 0.00 C ATOM 0 H LEU A 30 -17.616 2.701 4.135 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.335 3.600 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.345 2.407 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.890 3.108 1.431 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.558 4.574 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.454 5.764 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.187 4.015 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.759 4.730 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.900 6.611 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.263 5.611 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.692 5.484 3.479 1.00 0.00 H new ATOM 510 N VAL A 31 -19.602 0.398 3.333 1.00 0.00 N ATOM 511 CA VAL A 31 -20.179 -0.947 3.319 1.00 0.00 C ATOM 512 C VAL A 31 -20.764 -1.334 4.686 1.00 0.00 C ATOM 513 O VAL A 31 -21.760 -2.061 4.764 1.00 0.00 O ATOM 514 CB VAL A 31 -19.119 -1.999 2.915 1.00 0.00 C ATOM 515 CG1 VAL A 31 -19.713 -3.399 2.885 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.507 -1.657 1.568 1.00 0.00 C ATOM 0 H VAL A 31 -18.591 0.423 3.198 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.984 -0.932 2.584 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.333 -1.981 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.943 -4.115 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.094 -3.654 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.528 -3.433 2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.764 -2.410 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.288 -1.636 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.028 -0.679 1.624 1.00 0.00 H new ATOM 526 N GLY A 32 -20.164 -0.830 5.756 1.00 0.00 N ATOM 527 CA GLY A 32 -20.625 -1.155 7.088 1.00 0.00 C ATOM 528 C GLY A 32 -19.473 -1.496 8.006 1.00 0.00 C ATOM 529 O GLY A 32 -19.041 -2.649 8.068 1.00 0.00 O ATOM 0 H GLY A 32 -19.363 -0.199 5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.180 -0.311 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.315 -1.998 7.040 1.00 0.00 H new ATOM 533 N GLU A 33 -18.965 -0.497 8.705 1.00 0.00 N ATOM 534 CA GLU A 33 -17.821 -0.683 9.581 1.00 0.00 C ATOM 535 C GLU A 33 -18.269 -0.510 11.027 1.00 0.00 C ATOM 536 O GLU A 33 -18.375 0.644 11.489 1.00 0.00 O ATOM 537 CB GLU A 33 -16.717 0.323 9.205 1.00 0.00 C ATOM 538 CG GLU A 33 -15.299 -0.031 9.664 1.00 0.00 C ATOM 539 CD GLU A 33 -15.084 0.129 11.152 1.00 0.00 C ATOM 540 OE1 GLU A 33 -14.834 1.269 11.597 1.00 0.00 O ATOM 541 OE2 GLU A 33 -15.137 -0.880 11.884 1.00 0.00 O ATOM 542 OXT GLU A 33 -18.558 -1.531 11.684 1.00 0.00 O ATOM 0 H GLU A 33 -19.328 0.456 8.683 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.412 -1.687 9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.709 0.434 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.981 1.294 9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.083 -1.062 9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.587 0.600 9.133 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 20.431 2.561 7.955 1.00 0.00 N ATOM 551 CA GLY B 1 20.496 1.081 7.951 1.00 0.00 C ATOM 552 C GLY B 1 21.409 0.566 6.863 1.00 0.00 C ATOM 553 O GLY B 1 22.144 1.339 6.249 1.00 0.00 O ATOM 0 H1 GLY B 1 20.714 2.918 8.890 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.075 2.939 7.231 1.00 0.00 H new ATOM 0 H3 GLY B 1 19.459 2.866 7.747 1.00 0.00 H new ATOM 0 HA2 GLY B 1 20.850 0.729 8.920 1.00 0.00 H new ATOM 0 HA3 GLY B 1 19.495 0.673 7.810 1.00 0.00 H new ATOM 559 N SER B 2 21.376 -0.735 6.626 1.00 0.00 N ATOM 560 CA SER B 2 22.178 -1.336 5.576 1.00 0.00 C ATOM 561 C SER B 2 21.389 -1.401 4.269 1.00 0.00 C ATOM 562 O SER B 2 20.212 -1.022 4.231 1.00 0.00 O ATOM 563 CB SER B 2 22.621 -2.736 5.999 1.00 0.00 C ATOM 564 OG SER B 2 21.500 -3.570 6.243 1.00 0.00 O ATOM 0 H SER B 2 20.801 -1.396 7.149 1.00 0.00 H new ATOM 0 HA SER B 2 23.061 -0.719 5.412 1.00 0.00 H new ATOM 0 HB2 SER B 2 23.243 -3.176 5.220 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.234 -2.672 6.898 1.00 0.00 H new ATOM 0 HG SER B 2 21.807 -4.461 6.511 1.00 0.00 H new ATOM 570 N MET B 3 22.021 -1.880 3.206 1.00 0.00 N ATOM 571 CA MET B 3 21.347 -2.016 1.921 1.00 0.00 C ATOM 572 C MET B 3 20.242 -3.064 2.017 1.00 0.00 C ATOM 573 O MET B 3 19.100 -2.818 1.627 1.00 0.00 O ATOM 574 CB MET B 3 22.345 -2.394 0.821 1.00 0.00 C ATOM 575 CG MET B 3 21.710 -2.526 -0.556 1.00 0.00 C ATOM 576 SD MET B 3 22.900 -2.946 -1.845 1.00 0.00 S ATOM 577 CE MET B 3 23.957 -1.500 -1.825 1.00 0.00 C ATOM 0 H MET B 3 22.996 -2.180 3.207 1.00 0.00 H new ATOM 0 HA MET B 3 20.902 -1.056 1.662 1.00 0.00 H new ATOM 0 HB2 MET B 3 23.131 -1.639 0.779 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.823 -3.338 1.084 1.00 0.00 H new ATOM 0 HG2 MET B 3 20.936 -3.292 -0.521 1.00 0.00 H new ATOM 0 HG3 MET B 3 21.219 -1.588 -0.815 1.00 0.00 H new ATOM 0 HE1 MET B 3 24.503 -1.435 -2.766 1.00 0.00 H new ATOM 0 HE2 MET B 3 23.347 -0.606 -1.697 1.00 0.00 H new ATOM 0 HE3 MET B 3 24.665 -1.578 -1.000 1.00 0.00 H new ATOM 587 N LYS B 4 20.586 -4.225 2.568 1.00 0.00 N ATOM 588 CA LYS B 4 19.620 -5.306 2.747 1.00 0.00 C ATOM 589 C LYS B 4 18.499 -4.897 3.702 1.00 0.00 C ATOM 590 O LYS B 4 17.374 -5.381 3.587 1.00 0.00 O ATOM 591 CB LYS B 4 20.306 -6.579 3.257 1.00 0.00 C ATOM 592 CG LYS B 4 20.956 -7.422 2.163 1.00 0.00 C ATOM 593 CD LYS B 4 22.122 -6.707 1.501 1.00 0.00 C ATOM 594 CE LYS B 4 22.729 -7.537 0.380 1.00 0.00 C ATOM 595 NZ LYS B 4 23.309 -8.813 0.878 1.00 0.00 N ATOM 0 H LYS B 4 21.526 -4.442 2.898 1.00 0.00 H new ATOM 0 HA LYS B 4 19.181 -5.513 1.771 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.067 -6.301 3.986 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.571 -7.189 3.781 1.00 0.00 H new ATOM 0 HG2 LYS B 4 21.304 -8.362 2.591 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.210 -7.672 1.408 1.00 0.00 H new ATOM 0 HD2 LYS B 4 21.783 -5.750 1.103 1.00 0.00 H new ATOM 0 HD3 LYS B 4 22.886 -6.489 2.247 1.00 0.00 H new ATOM 0 HE2 LYS B 4 21.963 -7.754 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS B 4 23.505 -6.957 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 23.843 -9.273 0.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 23.947 -8.617 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 22.544 -9.442 1.193 1.00 0.00 H new ATOM 609 N GLN B 5 18.808 -4.001 4.637 1.00 0.00 N ATOM 610 CA GLN B 5 17.808 -3.479 5.560 1.00 0.00 C ATOM 611 C GLN B 5 16.696 -2.778 4.782 1.00 0.00 C ATOM 612 O GLN B 5 15.511 -2.979 5.054 1.00 0.00 O ATOM 613 CB GLN B 5 18.473 -2.525 6.562 1.00 0.00 C ATOM 614 CG GLN B 5 17.553 -2.008 7.662 1.00 0.00 C ATOM 615 CD GLN B 5 16.718 -0.806 7.249 1.00 0.00 C ATOM 616 OE1 GLN B 5 15.594 -0.630 7.715 1.00 0.00 O ATOM 617 NE2 GLN B 5 17.265 0.039 6.385 1.00 0.00 N ATOM 0 H GLN B 5 19.745 -3.622 4.774 1.00 0.00 H new ATOM 0 HA GLN B 5 17.362 -4.302 6.118 1.00 0.00 H new ATOM 0 HB2 GLN B 5 19.317 -3.037 7.025 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.878 -1.673 6.016 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.886 -2.812 7.973 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.155 -1.739 8.530 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.200 -0.140 6.019 1.00 0.00 H new ATOM 0 HE22 GLN B 5 16.750 0.867 6.086 1.00 0.00 H new ATOM 626 N LEU B 6 17.091 -1.975 3.798 1.00 0.00 N ATOM 627 CA LEU B 6 16.130 -1.280 2.945 1.00 0.00 C ATOM 628 C LEU B 6 15.384 -2.278 2.074 1.00 0.00 C ATOM 629 O LEU B 6 14.193 -2.119 1.813 1.00 0.00 O ATOM 630 CB LEU B 6 16.819 -0.233 2.059 1.00 0.00 C ATOM 631 CG LEU B 6 17.429 0.959 2.799 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.184 1.853 1.831 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.345 1.752 3.513 1.00 0.00 C ATOM 0 H LEU B 6 18.068 -1.789 3.571 1.00 0.00 H new ATOM 0 HA LEU B 6 15.423 -0.764 3.595 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.607 -0.726 1.490 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.092 0.142 1.339 1.00 0.00 H new ATOM 0 HG LEU B 6 18.130 0.581 3.543 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.612 2.696 2.373 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.983 1.283 1.357 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.500 2.222 1.067 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.796 2.596 4.034 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.623 2.119 2.784 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.839 1.109 4.233 1.00 0.00 H new ATOM 645 N GLU B 7 16.095 -3.311 1.640 1.00 0.00 N ATOM 646 CA GLU B 7 15.521 -4.355 0.810 1.00 0.00 C ATOM 647 C GLU B 7 14.361 -5.049 1.528 1.00 0.00 C ATOM 648 O GLU B 7 13.348 -5.385 0.908 1.00 0.00 O ATOM 649 CB GLU B 7 16.618 -5.362 0.445 1.00 0.00 C ATOM 650 CG GLU B 7 16.178 -6.456 -0.508 1.00 0.00 C ATOM 651 CD GLU B 7 17.294 -7.432 -0.803 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.512 -8.355 0.010 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.964 -7.277 -1.845 1.00 0.00 O ATOM 0 H GLU B 7 17.083 -3.446 1.854 1.00 0.00 H new ATOM 0 HA GLU B 7 15.120 -3.911 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.454 -4.823 -0.002 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.989 -5.823 1.360 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.332 -6.992 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.832 -6.008 -1.440 1.00 0.00 H new ATOM 660 N ASP B 8 14.514 -5.248 2.836 1.00 0.00 N ATOM 661 CA ASP B 8 13.455 -5.833 3.656 1.00 0.00 C ATOM 662 C ASP B 8 12.219 -4.945 3.658 1.00 0.00 C ATOM 663 O ASP B 8 11.096 -5.427 3.536 1.00 0.00 O ATOM 664 CB ASP B 8 13.927 -6.048 5.095 1.00 0.00 C ATOM 665 CG ASP B 8 14.780 -7.286 5.255 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.981 -7.153 5.551 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.243 -8.406 5.094 1.00 0.00 O ATOM 0 H ASP B 8 15.362 -5.012 3.351 1.00 0.00 H new ATOM 0 HA ASP B 8 13.202 -6.799 3.219 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.496 -5.177 5.420 1.00 0.00 H new ATOM 0 HB3 ASP B 8 13.059 -6.124 5.749 1.00 0.00 H new ATOM 672 N LYS B 9 12.440 -3.646 3.818 1.00 0.00 N ATOM 673 CA LYS B 9 11.342 -2.663 3.762 1.00 0.00 C ATOM 674 C LYS B 9 10.599 -2.774 2.439 1.00 0.00 C ATOM 675 O LYS B 9 9.372 -2.860 2.411 1.00 0.00 O ATOM 676 CB LYS B 9 11.843 -1.220 3.884 1.00 0.00 C ATOM 677 CG LYS B 9 13.027 -1.021 4.830 1.00 0.00 C ATOM 678 CD LYS B 9 12.680 -1.329 6.284 1.00 0.00 C ATOM 679 CE LYS B 9 11.584 -0.419 6.820 1.00 0.00 C ATOM 680 NZ LYS B 9 12.013 1.006 6.873 1.00 0.00 N ATOM 0 H LYS B 9 13.361 -3.241 3.987 1.00 0.00 H new ATOM 0 HA LYS B 9 10.689 -2.890 4.605 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.127 -0.866 2.893 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.018 -0.593 4.223 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.850 -1.662 4.514 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.377 0.008 4.755 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.360 -2.368 6.367 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.573 -1.220 6.899 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.700 -0.507 6.189 1.00 0.00 H new ATOM 0 HE3 LYS B 9 11.297 -0.748 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.291 1.568 7.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.917 1.078 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.132 1.369 5.906 1.00 0.00 H new ATOM 694 N VAL B 10 11.368 -2.782 1.352 1.00 0.00 N ATOM 695 CA VAL B 10 10.820 -2.840 -0.002 1.00 0.00 C ATOM 696 C VAL B 10 9.963 -4.087 -0.132 1.00 0.00 C ATOM 697 O VAL B 10 8.908 -4.093 -0.764 1.00 0.00 O ATOM 698 CB VAL B 10 11.940 -2.884 -1.065 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.353 -2.936 -2.468 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.862 -1.684 -0.923 1.00 0.00 C ATOM 0 H VAL B 10 12.387 -2.749 1.385 1.00 0.00 H new ATOM 0 HA VAL B 10 10.226 -1.942 -0.171 1.00 0.00 H new ATOM 0 HB VAL B 10 12.523 -3.790 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.161 -2.966 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.736 -3.829 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.741 -2.050 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.644 -1.734 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.288 -0.767 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.316 -1.689 0.068 1.00 0.00 H new ATOM 710 N GLU B 11 10.439 -5.135 0.511 1.00 0.00 N ATOM 711 CA GLU B 11 9.772 -6.430 0.489 1.00 0.00 C ATOM 712 C GLU B 11 8.463 -6.386 1.288 1.00 0.00 C ATOM 713 O GLU B 11 7.402 -6.734 0.766 1.00 0.00 O ATOM 714 CB GLU B 11 10.705 -7.500 1.060 1.00 0.00 C ATOM 715 CG GLU B 11 10.626 -8.842 0.345 1.00 0.00 C ATOM 716 CD GLU B 11 9.247 -9.462 0.386 1.00 0.00 C ATOM 717 OE1 GLU B 11 8.846 -9.954 1.460 1.00 0.00 O ATOM 718 OE2 GLU B 11 8.564 -9.474 -0.661 1.00 0.00 O ATOM 0 H GLU B 11 11.296 -5.117 1.063 1.00 0.00 H new ATOM 0 HA GLU B 11 9.528 -6.678 -0.544 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.731 -7.135 1.012 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.468 -7.648 2.114 1.00 0.00 H new ATOM 0 HG2 GLU B 11 10.927 -8.710 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.340 -9.530 0.798 1.00 0.00 H new ATOM 725 N GLU B 12 8.539 -5.945 2.544 1.00 0.00 N ATOM 726 CA GLU B 12 7.367 -5.926 3.424 1.00 0.00 C ATOM 727 C GLU B 12 6.255 -5.037 2.872 1.00 0.00 C ATOM 728 O GLU B 12 5.100 -5.455 2.765 1.00 0.00 O ATOM 729 CB GLU B 12 7.764 -5.452 4.822 1.00 0.00 C ATOM 730 CG GLU B 12 8.518 -6.500 5.619 1.00 0.00 C ATOM 731 CD GLU B 12 7.667 -7.719 5.904 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.743 -8.704 5.137 1.00 0.00 O ATOM 733 OE2 GLU B 12 6.898 -7.691 6.889 1.00 0.00 O ATOM 0 H GLU B 12 9.396 -5.597 2.975 1.00 0.00 H new ATOM 0 HA GLU B 12 6.983 -6.945 3.479 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.382 -4.559 4.733 1.00 0.00 H new ATOM 0 HB3 GLU B 12 6.866 -5.165 5.370 1.00 0.00 H new ATOM 0 HG2 GLU B 12 9.410 -6.801 5.069 1.00 0.00 H new ATOM 0 HG3 GLU B 12 8.856 -6.066 6.560 1.00 0.00 H new ATOM 740 N LEU B 13 6.620 -3.812 2.546 1.00 0.00 N ATOM 741 CA LEU B 13 5.703 -2.832 1.966 1.00 0.00 C ATOM 742 C LEU B 13 4.966 -3.366 0.735 1.00 0.00 C ATOM 743 O LEU B 13 3.820 -3.008 0.507 1.00 0.00 O ATOM 744 CB LEU B 13 6.464 -1.560 1.603 1.00 0.00 C ATOM 745 CG LEU B 13 7.083 -0.816 2.787 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.994 0.293 2.294 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.995 -0.254 3.690 1.00 0.00 C ATOM 0 H LEU B 13 7.568 -3.460 2.675 1.00 0.00 H new ATOM 0 HA LEU B 13 4.948 -2.615 2.722 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.257 -1.817 0.900 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.785 -0.884 1.084 1.00 0.00 H new ATOM 0 HG LEU B 13 7.679 -1.520 3.367 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.428 0.814 3.148 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.792 -0.134 1.686 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.418 0.997 1.693 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.453 0.272 4.527 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.373 0.438 3.123 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.378 -1.070 4.068 1.00 0.00 H new ATOM 759 N LEU B 14 5.624 -4.201 -0.066 1.00 0.00 N ATOM 760 CA LEU B 14 4.962 -4.835 -1.218 1.00 0.00 C ATOM 761 C LEU B 14 3.788 -5.692 -0.762 1.00 0.00 C ATOM 762 O LEU B 14 2.700 -5.625 -1.337 1.00 0.00 O ATOM 763 CB LEU B 14 5.921 -5.700 -2.065 1.00 0.00 C ATOM 764 CG LEU B 14 6.385 -5.081 -3.396 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.227 -4.981 -4.377 1.00 0.00 C ATOM 766 CD2 LEU B 14 7.000 -3.711 -3.173 1.00 0.00 C ATOM 0 H LEU B 14 6.604 -4.456 0.054 1.00 0.00 H new ATOM 0 HA LEU B 14 4.608 -4.019 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.802 -5.926 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.430 -6.649 -2.279 1.00 0.00 H new ATOM 0 HG LEU B 14 7.146 -5.736 -3.820 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.578 -4.541 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.829 -5.977 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.443 -4.354 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.320 -3.296 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU B 14 6.262 -3.050 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.861 -3.802 -2.511 1.00 0.00 H new ATOM 778 N SER B 15 4.012 -6.493 0.272 1.00 0.00 N ATOM 779 CA SER B 15 2.959 -7.320 0.843 1.00 0.00 C ATOM 780 C SER B 15 1.831 -6.437 1.375 1.00 0.00 C ATOM 781 O SER B 15 0.650 -6.761 1.232 1.00 0.00 O ATOM 782 CB SER B 15 3.527 -8.194 1.964 1.00 0.00 C ATOM 783 OG SER B 15 2.569 -9.126 2.436 1.00 0.00 O ATOM 0 H SER B 15 4.917 -6.587 0.733 1.00 0.00 H new ATOM 0 HA SER B 15 2.557 -7.970 0.066 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.406 -8.727 1.601 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.856 -7.561 2.788 1.00 0.00 H new ATOM 0 HG SER B 15 2.965 -9.669 3.150 1.00 0.00 H new ATOM 789 N LYS B 16 2.210 -5.315 1.976 1.00 0.00 N ATOM 790 CA LYS B 16 1.248 -4.346 2.482 1.00 0.00 C ATOM 791 C LYS B 16 0.485 -3.709 1.321 1.00 0.00 C ATOM 792 O LYS B 16 -0.742 -3.622 1.344 1.00 0.00 O ATOM 793 CB LYS B 16 1.969 -3.264 3.292 1.00 0.00 C ATOM 794 CG LYS B 16 1.038 -2.302 4.008 1.00 0.00 C ATOM 795 CD LYS B 16 0.373 -2.951 5.211 1.00 0.00 C ATOM 796 CE LYS B 16 -0.617 -2.010 5.882 1.00 0.00 C ATOM 797 NZ LYS B 16 0.000 -0.710 6.245 1.00 0.00 N ATOM 0 H LYS B 16 3.185 -5.054 2.125 1.00 0.00 H new ATOM 0 HA LYS B 16 0.539 -4.860 3.131 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.613 -3.745 4.028 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.617 -2.696 2.624 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.600 -1.426 4.332 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.273 -1.952 3.315 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.143 -3.858 4.896 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.135 -3.251 5.930 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.460 -1.836 5.213 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.015 -2.484 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.656 -0.170 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.885 -0.879 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.203 -0.169 5.381 1.00 0.00 H new ATOM 811 N ASN B 17 1.235 -3.281 0.307 1.00 0.00 N ATOM 812 CA ASN B 17 0.672 -2.672 -0.899 1.00 0.00 C ATOM 813 C ASN B 17 -0.432 -3.546 -1.485 1.00 0.00 C ATOM 814 O ASN B 17 -1.566 -3.097 -1.660 1.00 0.00 O ATOM 815 CB ASN B 17 1.788 -2.466 -1.939 1.00 0.00 C ATOM 816 CG ASN B 17 1.294 -1.849 -3.253 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.250 -1.200 -3.286 1.00 0.00 O ATOM 818 ND2 ASN B 17 2.061 -1.983 -4.343 1.00 0.00 N ATOM 0 H ASN B 17 2.253 -3.346 0.298 1.00 0.00 H new ATOM 0 HA ASN B 17 0.237 -1.708 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.558 -1.823 -1.512 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.257 -3.427 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.782 -1.543 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.924 -2.525 -4.296 1.00 0.00 H new ATOM 825 N TYR B 18 -0.105 -4.807 -1.739 1.00 0.00 N ATOM 826 CA TYR B 18 -1.049 -5.722 -2.377 1.00 0.00 C ATOM 827 C TYR B 18 -2.234 -6.010 -1.464 1.00 0.00 C ATOM 828 O TYR B 18 -3.361 -6.181 -1.931 1.00 0.00 O ATOM 829 CB TYR B 18 -0.372 -7.039 -2.781 1.00 0.00 C ATOM 830 CG TYR B 18 0.599 -6.914 -3.939 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.801 -7.618 -3.944 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.316 -6.094 -5.028 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.688 -7.503 -4.996 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.200 -5.978 -6.081 1.00 0.00 C ATOM 835 CZ TYR B 18 2.381 -6.683 -6.062 1.00 0.00 C ATOM 836 OH TYR B 18 3.262 -6.566 -7.112 1.00 0.00 O ATOM 0 H TYR B 18 0.801 -5.220 -1.515 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.410 -5.230 -3.280 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.160 -7.440 -1.918 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -1.142 -7.763 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR B 18 2.043 -8.263 -3.113 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.611 -5.540 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR B 18 3.618 -8.052 -4.984 1.00 0.00 H new ATOM 0 HE2 TYR B 18 0.966 -5.336 -6.917 1.00 0.00 H new ATOM 0 HH TYR B 18 2.894 -5.951 -7.781 1.00 0.00 H new ATOM 846 N HIS B 19 -1.977 -6.037 -0.162 1.00 0.00 N ATOM 847 CA HIS B 19 -3.012 -6.344 0.817 1.00 0.00 C ATOM 848 C HIS B 19 -4.142 -5.323 0.743 1.00 0.00 C ATOM 849 O HIS B 19 -5.316 -5.686 0.672 1.00 0.00 O ATOM 850 CB HIS B 19 -2.421 -6.363 2.231 1.00 0.00 C ATOM 851 CG HIS B 19 -3.342 -6.936 3.267 1.00 0.00 C ATOM 852 ND1 HIS B 19 -3.150 -8.176 3.838 1.00 0.00 N ATOM 853 CD2 HIS B 19 -4.460 -6.430 3.845 1.00 0.00 C ATOM 854 CE1 HIS B 19 -4.107 -8.406 4.718 1.00 0.00 C ATOM 855 NE2 HIS B 19 -4.914 -7.364 4.740 1.00 0.00 N ATOM 0 H HIS B 19 -1.059 -5.850 0.241 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.415 -7.330 0.587 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.497 -6.942 2.220 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.156 -5.345 2.517 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.909 -5.470 3.638 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -4.211 -9.298 5.319 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -5.742 -7.268 5.328 1.00 0.00 H new ATOM 864 N LEU B 20 -3.782 -4.047 0.746 1.00 0.00 N ATOM 865 CA LEU B 20 -4.779 -2.987 0.763 1.00 0.00 C ATOM 866 C LEU B 20 -5.442 -2.831 -0.601 1.00 0.00 C ATOM 867 O LEU B 20 -6.636 -2.550 -0.671 1.00 0.00 O ATOM 868 CB LEU B 20 -4.191 -1.647 1.215 1.00 0.00 C ATOM 869 CG LEU B 20 -3.906 -1.492 2.717 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.190 -1.565 3.516 1.00 0.00 C ATOM 871 CD2 LEU B 20 -2.933 -2.533 3.219 1.00 0.00 C ATOM 0 H LEU B 20 -2.815 -3.723 0.737 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.534 -3.283 1.491 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.260 -1.484 0.673 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.878 -0.855 0.915 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.450 -0.511 2.854 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -4.965 -1.453 4.577 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.861 -0.766 3.201 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.670 -2.529 3.347 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.761 -2.386 4.285 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -3.346 -3.528 3.052 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.989 -2.438 2.682 1.00 0.00 H new ATOM 883 N GLU B 21 -4.679 -3.018 -1.680 1.00 0.00 N ATOM 884 CA GLU B 21 -5.243 -2.919 -3.027 1.00 0.00 C ATOM 885 C GLU B 21 -6.389 -3.910 -3.202 1.00 0.00 C ATOM 886 O GLU B 21 -7.446 -3.563 -3.737 1.00 0.00 O ATOM 887 CB GLU B 21 -4.178 -3.157 -4.109 1.00 0.00 C ATOM 888 CG GLU B 21 -3.076 -2.105 -4.156 1.00 0.00 C ATOM 889 CD GLU B 21 -2.177 -2.260 -5.365 1.00 0.00 C ATOM 890 OE1 GLU B 21 -2.221 -1.382 -6.256 1.00 0.00 O ATOM 891 OE2 GLU B 21 -1.430 -3.255 -5.445 1.00 0.00 O ATOM 0 H GLU B 21 -3.683 -3.236 -1.649 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.623 -1.904 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.723 -4.134 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.669 -3.194 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.526 -1.112 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.475 -2.172 -3.249 1.00 0.00 H new ATOM 898 N ASN B 22 -6.184 -5.138 -2.735 1.00 0.00 N ATOM 899 CA ASN B 22 -7.229 -6.156 -2.791 1.00 0.00 C ATOM 900 C ASN B 22 -8.435 -5.742 -1.958 1.00 0.00 C ATOM 901 O ASN B 22 -9.571 -5.827 -2.422 1.00 0.00 O ATOM 902 CB ASN B 22 -6.709 -7.517 -2.320 1.00 0.00 C ATOM 903 CG ASN B 22 -5.939 -8.255 -3.399 1.00 0.00 C ATOM 904 OD1 ASN B 22 -4.722 -8.132 -3.510 1.00 0.00 O ATOM 905 ND2 ASN B 22 -6.648 -9.028 -4.207 1.00 0.00 N ATOM 0 H ASN B 22 -5.309 -5.452 -2.316 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.536 -6.250 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.065 -7.375 -1.452 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.550 -8.130 -1.996 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -6.185 -9.547 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -7.658 -9.105 -4.083 1.00 0.00 H new ATOM 912 N GLU B 23 -8.179 -5.283 -0.732 1.00 0.00 N ATOM 913 CA GLU B 23 -9.243 -4.814 0.156 1.00 0.00 C ATOM 914 C GLU B 23 -10.059 -3.702 -0.492 1.00 0.00 C ATOM 915 O GLU B 23 -11.292 -3.744 -0.480 1.00 0.00 O ATOM 916 CB GLU B 23 -8.663 -4.325 1.485 1.00 0.00 C ATOM 917 CG GLU B 23 -8.495 -5.426 2.519 1.00 0.00 C ATOM 918 CD GLU B 23 -9.826 -5.951 3.021 1.00 0.00 C ATOM 919 OE1 GLU B 23 -10.413 -6.835 2.359 1.00 0.00 O ATOM 920 OE2 GLU B 23 -10.290 -5.486 4.081 1.00 0.00 O ATOM 0 H GLU B 23 -7.243 -5.226 -0.331 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.905 -5.659 0.346 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.694 -3.861 1.300 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.314 -3.552 1.893 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.924 -6.246 2.084 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.916 -5.046 3.361 1.00 0.00 H new ATOM 927 N VAL B 24 -9.368 -2.718 -1.062 1.00 0.00 N ATOM 928 CA VAL B 24 -10.026 -1.615 -1.747 1.00 0.00 C ATOM 929 C VAL B 24 -10.968 -2.140 -2.831 1.00 0.00 C ATOM 930 O VAL B 24 -12.153 -1.813 -2.843 1.00 0.00 O ATOM 931 CB VAL B 24 -9.005 -0.645 -2.386 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.698 0.376 -3.274 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.208 0.067 -1.309 1.00 0.00 C ATOM 0 H VAL B 24 -8.349 -2.665 -1.061 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.598 -1.069 -0.996 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.327 -1.234 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.955 1.044 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.234 -0.139 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.403 0.956 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.494 0.746 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.885 0.634 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.672 -0.667 -0.708 1.00 0.00 H new ATOM 943 N ALA B 25 -10.431 -2.980 -3.715 1.00 0.00 N ATOM 944 CA ALA B 25 -11.194 -3.533 -4.837 1.00 0.00 C ATOM 945 C ALA B 25 -12.455 -4.270 -4.374 1.00 0.00 C ATOM 946 O ALA B 25 -13.504 -4.186 -5.018 1.00 0.00 O ATOM 947 CB ALA B 25 -10.313 -4.464 -5.656 1.00 0.00 C ATOM 0 H ALA B 25 -9.462 -3.296 -3.676 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.518 -2.696 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.888 -4.871 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.458 -3.909 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.961 -5.280 -5.025 1.00 0.00 H new ATOM 953 N ARG B 26 -12.347 -4.994 -3.266 1.00 0.00 N ATOM 954 CA ARG B 26 -13.481 -5.725 -2.705 1.00 0.00 C ATOM 955 C ARG B 26 -14.560 -4.751 -2.264 1.00 0.00 C ATOM 956 O ARG B 26 -15.724 -4.874 -2.638 1.00 0.00 O ATOM 957 CB ARG B 26 -13.038 -6.563 -1.506 1.00 0.00 C ATOM 958 CG ARG B 26 -11.952 -7.565 -1.836 1.00 0.00 C ATOM 959 CD ARG B 26 -11.392 -8.223 -0.585 1.00 0.00 C ATOM 960 NE ARG B 26 -10.312 -9.157 -0.906 1.00 0.00 N ATOM 961 CZ ARG B 26 -9.166 -9.246 -0.229 1.00 0.00 C ATOM 962 NH1 ARG B 26 -8.933 -8.455 0.810 1.00 0.00 N ATOM 963 NH2 ARG B 26 -8.247 -10.132 -0.599 1.00 0.00 N ATOM 0 H ARG B 26 -11.482 -5.092 -2.735 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.877 -6.386 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.680 -5.898 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.901 -7.094 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.353 -8.330 -2.501 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -11.147 -7.065 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.021 -7.456 0.095 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.189 -8.753 -0.064 1.00 0.00 H new ATOM 0 HE ARG B 26 -10.444 -9.782 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -9.633 -7.771 1.098 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -8.054 -8.531 1.321 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -8.419 -10.741 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -7.370 -10.202 -0.083 1.00 0.00 H new ATOM 977 N LEU B 27 -14.149 -3.773 -1.479 1.00 0.00 N ATOM 978 CA LEU B 27 -15.067 -2.777 -0.948 1.00 0.00 C ATOM 979 C LEU B 27 -15.656 -1.898 -2.059 1.00 0.00 C ATOM 980 O LEU B 27 -16.754 -1.361 -1.909 1.00 0.00 O ATOM 981 CB LEU B 27 -14.347 -1.920 0.093 1.00 0.00 C ATOM 982 CG LEU B 27 -13.696 -2.704 1.229 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.871 -1.779 2.104 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.749 -3.422 2.059 1.00 0.00 C ATOM 0 H LEU B 27 -13.179 -3.645 -1.192 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.900 -3.298 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.580 -1.331 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.061 -1.215 0.519 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.034 -3.453 0.794 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.413 -2.353 2.910 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.091 -1.310 1.504 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.515 -1.009 2.528 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.264 -3.975 2.863 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.437 -2.692 2.485 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.302 -4.115 1.425 1.00 0.00 H new ATOM 996 N LYS B 28 -14.945 -1.777 -3.181 1.00 0.00 N ATOM 997 CA LYS B 28 -15.410 -0.963 -4.295 1.00 0.00 C ATOM 998 C LYS B 28 -16.652 -1.587 -4.911 1.00 0.00 C ATOM 999 O LYS B 28 -17.680 -0.926 -5.048 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.330 -0.815 -5.376 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.148 0.066 -4.990 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.535 1.536 -4.874 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.303 2.418 -4.696 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.649 3.852 -4.499 1.00 0.00 N ATOM 0 H LYS B 28 -14.046 -2.233 -3.338 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.644 0.027 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.956 -1.806 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.791 -0.405 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.738 -0.276 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.359 -0.042 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.079 1.843 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.208 1.672 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.729 2.066 -3.839 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.661 2.320 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.961 4.290 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.625 4.344 -5.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.603 3.926 -4.091 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.558 -2.871 -5.269 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.684 -3.568 -5.883 1.00 0.00 C ATOM 1020 C LYS B 29 -18.869 -3.659 -4.920 1.00 0.00 C ATOM 1021 O LYS B 29 -20.010 -3.830 -5.347 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.273 -4.965 -6.354 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.840 -5.893 -5.236 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.630 -7.306 -5.744 1.00 0.00 C ATOM 1025 CE LYS B 29 -16.320 -8.262 -4.603 1.00 0.00 C ATOM 1026 NZ LYS B 29 -16.245 -9.675 -5.060 1.00 0.00 N ATOM 0 H LYS B 29 -15.721 -3.441 -5.145 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.995 -2.989 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.110 -5.419 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.456 -4.870 -7.069 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.916 -5.523 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.595 -5.895 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.523 -7.642 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.812 -7.318 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.373 -7.980 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.088 -8.170 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.032 -10.291 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.156 -9.954 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.494 -9.770 -5.774 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.597 -3.537 -3.626 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.655 -3.564 -2.624 1.00 0.00 C ATOM 1042 C LEU B 30 -20.401 -2.232 -2.587 1.00 0.00 C ATOM 1043 O LEU B 30 -21.628 -2.202 -2.689 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.081 -3.888 -1.242 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.407 -5.258 -1.122 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.885 -5.477 0.289 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.375 -6.366 -1.509 1.00 0.00 C ATOM 0 H LEU B 30 -17.657 -3.419 -3.247 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.361 -4.347 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.355 -3.119 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.886 -3.831 -0.509 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.561 -5.284 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.410 -6.456 0.353 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.157 -4.703 0.532 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.714 -5.429 0.995 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.878 -7.332 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.241 -6.340 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.700 -6.222 -2.539 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.659 -1.136 -2.437 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.253 0.202 -2.426 1.00 0.00 C ATOM 1061 C VAL B 31 -20.862 0.565 -3.787 1.00 0.00 C ATOM 1062 O VAL B 31 -21.871 1.268 -3.854 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.202 1.273 -2.045 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -19.816 2.665 -2.016 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.567 0.951 -0.704 1.00 0.00 C ATOM 0 H VAL B 31 -18.646 -1.147 -2.321 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.046 0.185 -1.678 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.427 1.260 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.052 3.394 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -20.216 2.907 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -20.621 2.693 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.832 1.717 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.337 0.925 0.067 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.075 -0.020 -0.758 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.269 0.062 -4.863 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.754 0.368 -6.192 1.00 0.00 C ATOM 1077 C GLY B 32 -19.620 0.718 -7.128 1.00 0.00 C ATOM 1078 O GLY B 32 -19.205 1.876 -7.208 1.00 0.00 O ATOM 0 H GLY B 32 -19.457 -0.555 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.302 -0.488 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.456 1.200 -6.142 1.00 0.00 H new ATOM 1082 N GLU B 33 -19.109 -0.279 -7.826 1.00 0.00 N ATOM 1083 CA GLU B 33 -17.979 -0.085 -8.717 1.00 0.00 C ATOM 1084 C GLU B 33 -18.436 -0.284 -10.157 1.00 0.00 C ATOM 1085 O GLU B 33 -18.546 -1.450 -10.590 1.00 0.00 O ATOM 1086 CB GLU B 33 -16.857 -1.073 -8.347 1.00 0.00 C ATOM 1087 CG GLU B 33 -15.453 -0.704 -8.831 1.00 0.00 C ATOM 1088 CD GLU B 33 -15.260 -0.864 -10.323 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -14.996 -2.002 -10.769 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -15.340 0.146 -11.053 1.00 0.00 O ATOM 1091 OXT GLU B 33 -18.705 0.724 -10.840 1.00 0.00 O ATOM 0 H GLU B 33 -19.460 -1.236 -7.793 1.00 0.00 H new ATOM 0 HA GLU B 33 -17.588 0.927 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -16.831 -1.173 -7.262 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -17.114 -2.052 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -15.244 0.330 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -14.724 -1.326 -8.311 1.00 0.00 H new TER 1098 GLU B 33