USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 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 Single : A 1 GLY N :NH3+ -103:sc= 0.0574 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0476) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 134:sc= -0.812 (180deg=-2.82!) USER MOD Single : A 17 ASN : amide:sc= -3.76! C(o=-3.8!,f=-9.8!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc=-0.00508 X(o=-0.0051,f=-0.36) USER MOD Single : A 22 ASN : amide:sc= 1.15 K(o=1.2,f=-0.022) USER MOD Single : A 28 LYS NZ :NH3+ -126:sc= 0.0215 (180deg=-0.442) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.0379 (180deg=-0.213) USER MOD Single : B 1 GLY N :NH3+ -98:sc= 0.0546 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0504) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 135:sc= -0.828 (180deg=-2.92!) USER MOD Single : B 17 ASN : amide:sc= -3.9! C(o=-3.9!,f=-9.9!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 22 ASN : amide:sc= 1.16 K(o=1.2,f=-0.027) USER MOD Single : B 28 LYS NZ :NH3+ -128:sc= 0.00995 (180deg=-0.623) USER MOD Single : B 29 LYS NZ :NH3+ -133:sc= -0.015 (180deg=-0.181) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.650 -4.717 -4.767 1.00 0.00 N ATOM 2 CA GLY A 1 -25.443 -5.030 -3.966 1.00 0.00 C ATOM 3 C GLY A 1 -24.335 -4.029 -4.202 1.00 0.00 C ATOM 4 O GLY A 1 -24.315 -3.349 -5.228 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.369 -4.281 -4.155 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.399 -4.057 -5.530 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.030 -5.593 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.703 -5.041 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.089 -6.030 -4.218 1.00 0.00 H new ATOM 10 N SER A 2 -23.413 -3.938 -3.256 1.00 0.00 N ATOM 11 CA SER A 2 -22.308 -2.995 -3.351 1.00 0.00 C ATOM 12 C SER A 2 -21.136 -3.429 -2.479 1.00 0.00 C ATOM 13 O SER A 2 -19.977 -3.249 -2.853 1.00 0.00 O ATOM 14 CB SER A 2 -22.778 -1.598 -2.935 1.00 0.00 C ATOM 15 OG SER A 2 -23.610 -1.669 -1.788 1.00 0.00 O ATOM 0 H SER A 2 -23.408 -4.508 -2.410 1.00 0.00 H new ATOM 0 HA SER A 2 -21.970 -2.972 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.915 -0.966 -2.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.322 -1.132 -3.757 1.00 0.00 H new ATOM 0 HG SER A 2 -23.899 -0.767 -1.537 1.00 0.00 H new ATOM 21 N MET A 3 -21.450 -4.025 -1.331 1.00 0.00 N ATOM 22 CA MET A 3 -20.444 -4.385 -0.336 1.00 0.00 C ATOM 23 C MET A 3 -19.280 -5.170 -0.929 1.00 0.00 C ATOM 24 O MET A 3 -18.130 -4.789 -0.749 1.00 0.00 O ATOM 25 CB MET A 3 -21.080 -5.176 0.809 1.00 0.00 C ATOM 26 CG MET A 3 -21.899 -4.316 1.754 1.00 0.00 C ATOM 27 SD MET A 3 -20.891 -3.083 2.603 1.00 0.00 S ATOM 28 CE MET A 3 -22.139 -2.218 3.552 1.00 0.00 C ATOM 0 H MET A 3 -22.404 -4.271 -1.066 1.00 0.00 H new ATOM 0 HA MET A 3 -20.038 -3.449 0.048 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.719 -5.954 0.392 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.295 -5.677 1.374 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.688 -3.814 1.194 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.387 -4.953 2.491 1.00 0.00 H new ATOM 0 HE1 MET A 3 -21.669 -1.423 4.132 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.876 -1.786 2.875 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.632 -2.917 4.228 1.00 0.00 H new ATOM 38 N LYS A 4 -19.569 -6.236 -1.666 1.00 0.00 N ATOM 39 CA LYS A 4 -18.510 -7.108 -2.174 1.00 0.00 C ATOM 40 C LYS A 4 -17.739 -6.453 -3.319 1.00 0.00 C ATOM 41 O LYS A 4 -16.690 -6.938 -3.721 1.00 0.00 O ATOM 42 CB LYS A 4 -19.076 -8.456 -2.628 1.00 0.00 C ATOM 43 CG LYS A 4 -19.968 -8.382 -3.857 1.00 0.00 C ATOM 44 CD LYS A 4 -20.439 -9.766 -4.270 1.00 0.00 C ATOM 45 CE LYS A 4 -21.279 -9.727 -5.535 1.00 0.00 C ATOM 46 NZ LYS A 4 -22.558 -8.997 -5.339 1.00 0.00 N ATOM 0 H LYS A 4 -20.515 -6.517 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.816 -7.278 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.247 -9.133 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.645 -8.892 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.830 -7.748 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.423 -7.919 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.575 -10.411 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.022 -10.207 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.709 -9.250 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.491 -10.746 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -23.142 -9.083 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -23.069 -9.403 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -22.360 -7.993 -5.155 1.00 0.00 H new ATOM 60 N GLN A 5 -18.246 -5.339 -3.812 1.00 0.00 N ATOM 61 CA GLN A 5 -17.627 -4.640 -4.929 1.00 0.00 C ATOM 62 C GLN A 5 -16.724 -3.553 -4.386 1.00 0.00 C ATOM 63 O GLN A 5 -15.587 -3.386 -4.823 1.00 0.00 O ATOM 64 CB GLN A 5 -18.689 -4.022 -5.837 1.00 0.00 C ATOM 65 CG GLN A 5 -19.627 -5.034 -6.469 1.00 0.00 C ATOM 66 CD GLN A 5 -20.691 -4.375 -7.322 1.00 0.00 C ATOM 67 OE1 GLN A 5 -21.771 -4.041 -6.838 1.00 0.00 O ATOM 68 NE2 GLN A 5 -20.389 -4.172 -8.592 1.00 0.00 N ATOM 0 H GLN A 5 -19.091 -4.894 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.047 -5.351 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.277 -3.309 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.193 -3.459 -6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.051 -5.727 -7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.105 -5.622 -5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.481 -4.465 -8.953 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.064 -3.723 -9.211 1.00 0.00 H new ATOM 77 N LEU A 6 -17.245 -2.829 -3.411 1.00 0.00 N ATOM 78 CA LEU A 6 -16.478 -1.820 -2.710 1.00 0.00 C ATOM 79 C LEU A 6 -15.378 -2.494 -1.905 1.00 0.00 C ATOM 80 O LEU A 6 -14.231 -2.055 -1.915 1.00 0.00 O ATOM 81 CB LEU A 6 -17.380 -0.999 -1.780 1.00 0.00 C ATOM 82 CG LEU A 6 -18.167 0.167 -2.413 1.00 0.00 C ATOM 83 CD1 LEU A 6 -17.237 1.299 -2.827 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.990 -0.301 -3.604 1.00 0.00 C ATOM 0 H LEU A 6 -18.207 -2.925 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 6 -16.036 -1.142 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.096 -1.678 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.761 -0.594 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.851 0.544 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.821 2.106 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.707 1.673 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.517 0.930 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.532 0.545 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.328 -0.722 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.700 -1.061 -3.279 1.00 0.00 H new ATOM 96 N GLU A 7 -15.736 -3.580 -1.223 1.00 0.00 N ATOM 97 CA GLU A 7 -14.767 -4.362 -0.467 1.00 0.00 C ATOM 98 C GLU A 7 -13.714 -4.956 -1.398 1.00 0.00 C ATOM 99 O GLU A 7 -12.552 -5.106 -1.009 1.00 0.00 O ATOM 100 CB GLU A 7 -15.469 -5.470 0.324 1.00 0.00 C ATOM 101 CG GLU A 7 -14.548 -6.242 1.253 1.00 0.00 C ATOM 102 CD GLU A 7 -15.286 -7.289 2.062 1.00 0.00 C ATOM 103 OE1 GLU A 7 -15.478 -8.409 1.547 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.667 -6.989 3.211 1.00 0.00 O ATOM 0 H GLU A 7 -16.691 -3.936 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.268 -3.698 0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.275 -5.029 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.930 -6.167 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.767 -6.725 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.054 -5.546 1.930 1.00 0.00 H new ATOM 111 N ASP A 8 -14.112 -5.285 -2.631 1.00 0.00 N ATOM 112 CA ASP A 8 -13.143 -5.754 -3.624 1.00 0.00 C ATOM 113 C ASP A 8 -12.097 -4.681 -3.901 1.00 0.00 C ATOM 114 O ASP A 8 -10.918 -4.982 -4.080 1.00 0.00 O ATOM 115 CB ASP A 8 -13.821 -6.153 -4.935 1.00 0.00 C ATOM 116 CG ASP A 8 -14.065 -7.646 -5.028 1.00 0.00 C ATOM 117 OD1 ASP A 8 -15.115 -8.041 -5.573 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.204 -8.418 -4.558 1.00 0.00 O ATOM 0 H ASP A 8 -15.076 -5.237 -2.960 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.659 -6.637 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.771 -5.626 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.200 -5.836 -5.773 1.00 0.00 H new ATOM 123 N LYS A 9 -12.541 -3.429 -3.925 1.00 0.00 N ATOM 124 CA LYS A 9 -11.649 -2.298 -4.156 1.00 0.00 C ATOM 125 C LYS A 9 -10.679 -2.136 -2.992 1.00 0.00 C ATOM 126 O LYS A 9 -9.482 -1.913 -3.192 1.00 0.00 O ATOM 127 CB LYS A 9 -12.457 -1.008 -4.337 1.00 0.00 C ATOM 128 CG LYS A 9 -13.451 -1.057 -5.489 1.00 0.00 C ATOM 129 CD LYS A 9 -12.758 -1.170 -6.837 1.00 0.00 C ATOM 130 CE LYS A 9 -11.974 0.087 -7.176 1.00 0.00 C ATOM 131 NZ LYS A 9 -11.273 -0.034 -8.480 1.00 0.00 N ATOM 0 H LYS A 9 -13.518 -3.171 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.081 -2.493 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.997 -0.797 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.768 -0.179 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.121 -1.906 -5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.068 -0.159 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.085 -2.027 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.501 -1.356 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.651 0.941 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.246 0.284 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.750 0.843 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.608 -0.833 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.970 -0.197 -9.235 1.00 0.00 H new ATOM 145 N VAL A 10 -11.208 -2.258 -1.779 1.00 0.00 N ATOM 146 CA VAL A 10 -10.412 -2.094 -0.567 1.00 0.00 C ATOM 147 C VAL A 10 -9.321 -3.162 -0.488 1.00 0.00 C ATOM 148 O VAL A 10 -8.142 -2.851 -0.320 1.00 0.00 O ATOM 149 CB VAL A 10 -11.275 -2.191 0.714 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.505 -1.678 1.916 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.583 -1.436 0.579 1.00 0.00 C ATOM 0 H VAL A 10 -12.191 -2.471 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.969 -1.100 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.513 -3.245 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.128 -1.754 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.603 -2.275 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.230 -0.636 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.155 -1.532 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.377 -0.383 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.158 -1.850 -0.249 1.00 0.00 H new ATOM 161 N GLU A 11 -9.720 -4.421 -0.634 1.00 0.00 N ATOM 162 CA GLU A 11 -8.796 -5.542 -0.476 1.00 0.00 C ATOM 163 C GLU A 11 -7.795 -5.617 -1.628 1.00 0.00 C ATOM 164 O GLU A 11 -6.729 -6.216 -1.492 1.00 0.00 O ATOM 165 CB GLU A 11 -9.560 -6.861 -0.367 1.00 0.00 C ATOM 166 CG GLU A 11 -10.466 -6.938 0.849 1.00 0.00 C ATOM 167 CD GLU A 11 -11.128 -8.294 0.995 1.00 0.00 C ATOM 168 OE1 GLU A 11 -10.620 -9.118 1.782 1.00 0.00 O ATOM 169 OE2 GLU A 11 -12.154 -8.529 0.325 1.00 0.00 O ATOM 0 H GLU A 11 -10.677 -4.692 -0.861 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.240 -5.373 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.160 -7.000 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.846 -7.683 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.885 -6.723 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.234 -6.168 0.775 1.00 0.00 H new ATOM 176 N GLU A 12 -8.132 -5.015 -2.760 1.00 0.00 N ATOM 177 CA GLU A 12 -7.209 -4.960 -3.884 1.00 0.00 C ATOM 178 C GLU A 12 -6.040 -4.060 -3.522 1.00 0.00 C ATOM 179 O GLU A 12 -4.876 -4.400 -3.751 1.00 0.00 O ATOM 180 CB GLU A 12 -7.904 -4.441 -5.145 1.00 0.00 C ATOM 181 CG GLU A 12 -7.006 -4.452 -6.373 1.00 0.00 C ATOM 182 CD GLU A 12 -7.691 -3.905 -7.608 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.350 -4.691 -8.317 1.00 0.00 O ATOM 184 OE2 GLU A 12 -7.556 -2.691 -7.872 1.00 0.00 O ATOM 0 H GLU A 12 -9.031 -4.561 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.850 -5.967 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.786 -5.050 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.253 -3.424 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.112 -3.863 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.678 -5.473 -6.568 1.00 0.00 H new ATOM 191 N LEU A 13 -6.360 -2.918 -2.930 1.00 0.00 N ATOM 192 CA LEU A 13 -5.343 -2.009 -2.435 1.00 0.00 C ATOM 193 C LEU A 13 -4.636 -2.628 -1.239 1.00 0.00 C ATOM 194 O LEU A 13 -3.466 -2.361 -0.993 1.00 0.00 O ATOM 195 CB LEU A 13 -5.955 -0.661 -2.052 1.00 0.00 C ATOM 196 CG LEU A 13 -6.586 0.121 -3.205 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.025 1.492 -2.730 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.615 0.253 -4.369 1.00 0.00 C ATOM 0 H LEU A 13 -7.318 -2.601 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.617 -1.836 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.716 -0.829 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.179 -0.044 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.460 -0.430 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.472 2.039 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.758 1.383 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.161 2.042 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.088 0.813 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.720 0.780 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.341 -0.739 -4.728 1.00 0.00 H new ATOM 210 N LEU A 14 -5.363 -3.465 -0.513 1.00 0.00 N ATOM 211 CA LEU A 14 -4.813 -4.205 0.614 1.00 0.00 C ATOM 212 C LEU A 14 -3.718 -5.158 0.143 1.00 0.00 C ATOM 213 O LEU A 14 -2.728 -5.383 0.835 1.00 0.00 O ATOM 214 CB LEU A 14 -5.924 -5.010 1.285 1.00 0.00 C ATOM 215 CG LEU A 14 -5.587 -5.589 2.660 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.488 -4.484 3.696 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.629 -6.615 3.071 1.00 0.00 C ATOM 0 H LEU A 14 -6.351 -3.650 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.386 -3.496 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.801 -4.370 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.203 -5.831 0.624 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.619 -6.085 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.248 -4.916 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.705 -3.783 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.440 -3.958 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.376 -7.018 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.609 -6.140 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.651 -7.424 2.341 1.00 0.00 H new ATOM 229 N SER A 15 -3.914 -5.707 -1.045 1.00 0.00 N ATOM 230 CA SER A 15 -2.989 -6.669 -1.620 1.00 0.00 C ATOM 231 C SER A 15 -1.688 -5.988 -2.022 1.00 0.00 C ATOM 232 O SER A 15 -0.601 -6.481 -1.721 1.00 0.00 O ATOM 233 CB SER A 15 -3.629 -7.357 -2.828 1.00 0.00 C ATOM 234 OG SER A 15 -2.769 -8.339 -3.385 1.00 0.00 O ATOM 0 H SER A 15 -4.718 -5.498 -1.637 1.00 0.00 H new ATOM 0 HA SER A 15 -2.760 -7.424 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.568 -7.823 -2.527 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.871 -6.612 -3.586 1.00 0.00 H new ATOM 0 HG SER A 15 -3.208 -8.760 -4.153 1.00 0.00 H new ATOM 240 N LYS A 16 -1.788 -4.848 -2.697 1.00 0.00 N ATOM 241 CA LYS A 16 -0.590 -4.105 -3.061 1.00 0.00 C ATOM 242 C LYS A 16 0.038 -3.485 -1.822 1.00 0.00 C ATOM 243 O LYS A 16 1.252 -3.380 -1.743 1.00 0.00 O ATOM 244 CB LYS A 16 -0.847 -3.040 -4.134 1.00 0.00 C ATOM 245 CG LYS A 16 -1.919 -2.020 -3.786 1.00 0.00 C ATOM 246 CD LYS A 16 -2.154 -1.021 -4.914 1.00 0.00 C ATOM 247 CE LYS A 16 -1.086 0.067 -4.972 1.00 0.00 C ATOM 248 NZ LYS A 16 0.207 -0.414 -5.533 1.00 0.00 N ATOM 0 H LYS A 16 -2.667 -4.426 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 16 0.107 -4.819 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.086 -2.511 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.130 -3.540 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.852 -2.538 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.628 -1.483 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.177 -1.553 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.132 -0.557 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.452 0.896 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.917 0.456 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.559 0.272 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.902 -0.516 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.064 -1.335 -5.995 1.00 0.00 H new ATOM 262 N ASN A 17 -0.789 -3.099 -0.855 1.00 0.00 N ATOM 263 CA ASN A 17 -0.294 -2.675 0.456 1.00 0.00 C ATOM 264 C ASN A 17 0.550 -3.779 1.060 1.00 0.00 C ATOM 265 O ASN A 17 1.641 -3.537 1.571 1.00 0.00 O ATOM 266 CB ASN A 17 -1.455 -2.354 1.398 1.00 0.00 C ATOM 267 CG ASN A 17 -1.751 -0.873 1.483 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.846 -0.042 1.465 1.00 0.00 O ATOM 269 ND2 ASN A 17 -3.023 -0.528 1.573 1.00 0.00 N ATOM 0 H ASN A 17 -1.804 -3.070 -0.952 1.00 0.00 H new ATOM 0 HA ASN A 17 0.307 -1.776 0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.348 -2.879 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.223 -2.731 2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.281 0.457 1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.747 -1.247 1.585 1.00 0.00 H new ATOM 276 N TYR A 18 0.035 -5.001 0.980 1.00 0.00 N ATOM 277 CA TYR A 18 0.765 -6.170 1.453 1.00 0.00 C ATOM 278 C TYR A 18 2.100 -6.302 0.720 1.00 0.00 C ATOM 279 O TYR A 18 3.125 -6.628 1.325 1.00 0.00 O ATOM 280 CB TYR A 18 -0.089 -7.428 1.254 1.00 0.00 C ATOM 281 CG TYR A 18 0.619 -8.725 1.573 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.021 -9.583 0.556 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.883 -9.096 2.885 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.663 -10.773 0.839 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.526 -10.283 3.174 1.00 0.00 C ATOM 286 CZ TYR A 18 1.915 -11.117 2.148 1.00 0.00 C ATOM 287 OH TYR A 18 2.554 -12.302 2.433 1.00 0.00 O ATOM 0 H TYR A 18 -0.885 -5.207 0.592 1.00 0.00 H new ATOM 0 HA TYR A 18 0.975 -6.051 2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.978 -7.351 1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.430 -7.460 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.828 -9.315 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.580 -8.445 3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.966 -11.430 0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.723 -10.557 4.200 1.00 0.00 H new ATOM 0 HH TYR A 18 2.656 -12.394 3.403 1.00 0.00 H new ATOM 297 N HIS A 19 2.088 -6.019 -0.577 1.00 0.00 N ATOM 298 CA HIS A 19 3.283 -6.145 -1.402 1.00 0.00 C ATOM 299 C HIS A 19 4.269 -5.008 -1.140 1.00 0.00 C ATOM 300 O HIS A 19 5.451 -5.259 -0.926 1.00 0.00 O ATOM 301 CB HIS A 19 2.915 -6.207 -2.888 1.00 0.00 C ATOM 302 CG HIS A 19 2.210 -7.473 -3.268 1.00 0.00 C ATOM 303 ND1 HIS A 19 1.027 -7.503 -3.975 1.00 0.00 N ATOM 304 CD2 HIS A 19 2.532 -8.764 -3.027 1.00 0.00 C ATOM 305 CE1 HIS A 19 0.653 -8.757 -4.146 1.00 0.00 C ATOM 306 NE2 HIS A 19 1.548 -9.542 -3.581 1.00 0.00 N ATOM 0 H HIS A 19 1.261 -5.700 -1.081 1.00 0.00 H new ATOM 0 HA HIS A 19 3.773 -7.079 -1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.279 -5.357 -3.134 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.822 -6.110 -3.485 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.404 -9.117 -2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.237 -9.085 -4.662 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.514 -10.561 -3.559 1.00 0.00 H new ATOM 315 N LEU A 20 3.782 -3.766 -1.154 1.00 0.00 N ATOM 316 CA LEU A 20 4.623 -2.598 -0.877 1.00 0.00 C ATOM 317 C LEU A 20 5.280 -2.738 0.477 1.00 0.00 C ATOM 318 O LEU A 20 6.493 -2.627 0.606 1.00 0.00 O ATOM 319 CB LEU A 20 3.802 -1.307 -0.865 1.00 0.00 C ATOM 320 CG LEU A 20 2.952 -1.050 -2.093 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.390 0.359 -2.084 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.730 -1.316 -3.374 1.00 0.00 C ATOM 0 H LEU A 20 2.807 -3.542 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 20 5.371 -2.547 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.149 -1.323 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.484 -0.467 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 20 2.115 -1.747 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.784 0.515 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.772 0.498 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.210 1.078 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.090 -1.122 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.601 -0.661 -3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.057 -2.356 -3.392 1.00 0.00 H new ATOM 334 N GLU A 21 4.452 -2.987 1.479 1.00 0.00 N ATOM 335 CA GLU A 21 4.913 -3.084 2.862 1.00 0.00 C ATOM 336 C GLU A 21 6.039 -4.110 2.998 1.00 0.00 C ATOM 337 O GLU A 21 7.038 -3.855 3.671 1.00 0.00 O ATOM 338 CB GLU A 21 3.750 -3.456 3.785 1.00 0.00 C ATOM 339 CG GLU A 21 3.767 -2.731 5.126 1.00 0.00 C ATOM 340 CD GLU A 21 4.985 -3.065 5.970 1.00 0.00 C ATOM 341 OE1 GLU A 21 4.977 -4.124 6.629 1.00 0.00 O ATOM 342 OE2 GLU A 21 5.944 -2.265 5.970 1.00 0.00 O ATOM 0 H GLU A 21 3.448 -3.127 1.362 1.00 0.00 H new ATOM 0 HA GLU A 21 5.303 -2.109 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.811 -3.236 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.771 -4.531 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.738 -1.656 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.866 -2.988 5.682 1.00 0.00 H new ATOM 349 N ASN A 22 5.882 -5.260 2.354 1.00 0.00 N ATOM 350 CA ASN A 22 6.908 -6.296 2.404 1.00 0.00 C ATOM 351 C ASN A 22 8.085 -5.945 1.503 1.00 0.00 C ATOM 352 O ASN A 22 9.224 -6.310 1.790 1.00 0.00 O ATOM 353 CB ASN A 22 6.337 -7.663 2.022 1.00 0.00 C ATOM 354 CG ASN A 22 5.631 -8.337 3.182 1.00 0.00 C ATOM 355 OD1 ASN A 22 6.252 -9.048 3.972 1.00 0.00 O ATOM 356 ND2 ASN A 22 4.328 -8.127 3.293 1.00 0.00 N ATOM 0 H ASN A 22 5.062 -5.498 1.796 1.00 0.00 H new ATOM 0 HA ASN A 22 7.265 -6.351 3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.638 -7.544 1.194 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.144 -8.305 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.804 -8.561 4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.848 -7.531 2.618 1.00 0.00 H new ATOM 363 N GLU A 23 7.810 -5.222 0.424 1.00 0.00 N ATOM 364 CA GLU A 23 8.865 -4.769 -0.474 1.00 0.00 C ATOM 365 C GLU A 23 9.755 -3.759 0.246 1.00 0.00 C ATOM 366 O GLU A 23 10.976 -3.757 0.077 1.00 0.00 O ATOM 367 CB GLU A 23 8.255 -4.161 -1.742 1.00 0.00 C ATOM 368 CG GLU A 23 9.274 -3.800 -2.811 1.00 0.00 C ATOM 369 CD GLU A 23 8.619 -3.426 -4.128 1.00 0.00 C ATOM 370 OE1 GLU A 23 8.728 -4.216 -5.089 1.00 0.00 O ATOM 371 OE2 GLU A 23 7.986 -2.352 -4.194 1.00 0.00 O ATOM 0 H GLU A 23 6.869 -4.938 0.150 1.00 0.00 H new ATOM 0 HA GLU A 23 9.478 -5.620 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.539 -4.867 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.697 -3.265 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.884 -2.967 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.946 -4.643 -2.969 1.00 0.00 H new ATOM 378 N VAL A 24 9.131 -2.918 1.068 1.00 0.00 N ATOM 379 CA VAL A 24 9.860 -1.986 1.916 1.00 0.00 C ATOM 380 C VAL A 24 10.751 -2.752 2.890 1.00 0.00 C ATOM 381 O VAL A 24 11.913 -2.409 3.082 1.00 0.00 O ATOM 382 CB VAL A 24 8.910 -1.074 2.731 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.703 -0.143 3.633 1.00 0.00 C ATOM 384 CG2 VAL A 24 8.007 -0.264 1.818 1.00 0.00 C ATOM 0 H VAL A 24 8.117 -2.865 1.163 1.00 0.00 H new ATOM 0 HA VAL A 24 10.461 -1.359 1.257 1.00 0.00 H new ATOM 0 HB VAL A 24 8.285 -1.719 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.017 0.489 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.305 -0.732 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.357 0.483 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.352 0.366 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.616 0.363 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.404 -0.939 1.211 1.00 0.00 H new ATOM 394 N ALA A 25 10.190 -3.801 3.488 1.00 0.00 N ATOM 395 CA ALA A 25 10.911 -4.615 4.462 1.00 0.00 C ATOM 396 C ALA A 25 12.172 -5.219 3.854 1.00 0.00 C ATOM 397 O ALA A 25 13.218 -5.276 4.505 1.00 0.00 O ATOM 398 CB ALA A 25 10.005 -5.715 5.000 1.00 0.00 C ATOM 0 H ALA A 25 9.233 -4.108 3.313 1.00 0.00 H new ATOM 0 HA ALA A 25 11.213 -3.967 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.553 -6.316 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.136 -5.267 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.676 -6.350 4.178 1.00 0.00 H new ATOM 404 N ARG A 26 12.068 -5.665 2.607 1.00 0.00 N ATOM 405 CA ARG A 26 13.214 -6.211 1.891 1.00 0.00 C ATOM 406 C ARG A 26 14.277 -5.140 1.709 1.00 0.00 C ATOM 407 O ARG A 26 15.415 -5.306 2.137 1.00 0.00 O ATOM 408 CB ARG A 26 12.789 -6.766 0.529 1.00 0.00 C ATOM 409 CG ARG A 26 11.733 -7.855 0.616 1.00 0.00 C ATOM 410 CD ARG A 26 12.201 -9.027 1.462 1.00 0.00 C ATOM 411 NE ARG A 26 11.159 -10.038 1.616 1.00 0.00 N ATOM 412 CZ ARG A 26 11.207 -11.035 2.498 1.00 0.00 C ATOM 413 NH1 ARG A 26 12.253 -11.167 3.304 1.00 0.00 N ATOM 414 NH2 ARG A 26 10.205 -11.899 2.572 1.00 0.00 N ATOM 0 H ARG A 26 11.200 -5.659 2.071 1.00 0.00 H new ATOM 0 HA ARG A 26 13.629 -7.028 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.406 -5.949 -0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.666 -7.163 0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.819 -7.442 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.488 -8.205 -0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.080 -9.479 1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.505 -8.667 2.445 1.00 0.00 H new ATOM 0 HE ARG A 26 10.342 -9.977 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.025 -10.503 3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.284 -11.932 3.978 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.399 -11.800 1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.239 -12.663 3.247 1.00 0.00 H new ATOM 428 N LEU A 27 13.882 -4.027 1.105 1.00 0.00 N ATOM 429 CA LEU A 27 14.804 -2.932 0.825 1.00 0.00 C ATOM 430 C LEU A 27 15.417 -2.371 2.102 1.00 0.00 C ATOM 431 O LEU A 27 16.589 -2.000 2.125 1.00 0.00 O ATOM 432 CB LEU A 27 14.095 -1.801 0.090 1.00 0.00 C ATOM 433 CG LEU A 27 14.022 -1.905 -1.438 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.598 -3.295 -1.888 1.00 0.00 C ATOM 435 CD2 LEU A 27 13.055 -0.870 -1.978 1.00 0.00 C ATOM 0 H LEU A 27 12.924 -3.857 0.798 1.00 0.00 H new ATOM 0 HA LEU A 27 15.597 -3.342 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.077 -1.732 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.595 -0.866 0.343 1.00 0.00 H new ATOM 0 HG LEU A 27 15.020 -1.718 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.558 -3.329 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.319 -4.029 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.613 -3.524 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.007 -0.948 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.064 -1.043 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.397 0.127 -1.701 1.00 0.00 H new ATOM 447 N LYS A 28 14.617 -2.305 3.156 1.00 0.00 N ATOM 448 CA LYS A 28 15.061 -1.749 4.426 1.00 0.00 C ATOM 449 C LYS A 28 16.198 -2.585 5.003 1.00 0.00 C ATOM 450 O LYS A 28 17.067 -2.074 5.704 1.00 0.00 O ATOM 451 CB LYS A 28 13.890 -1.688 5.410 1.00 0.00 C ATOM 452 CG LYS A 28 14.139 -0.843 6.655 1.00 0.00 C ATOM 453 CD LYS A 28 13.942 0.651 6.401 1.00 0.00 C ATOM 454 CE LYS A 28 15.141 1.301 5.732 1.00 0.00 C ATOM 455 NZ LYS A 28 15.056 2.783 5.769 1.00 0.00 N ATOM 0 H LYS A 28 13.651 -2.632 3.156 1.00 0.00 H new ATOM 0 HA LYS A 28 15.429 -0.737 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.018 -1.293 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.643 -2.703 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.465 -1.165 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.155 -1.016 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.061 0.795 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.745 1.152 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.055 0.977 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.206 0.966 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.154 3.161 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.136 3.068 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.818 3.160 6.368 1.00 0.00 H new ATOM 469 N LYS A 29 16.191 -3.871 4.687 1.00 0.00 N ATOM 470 CA LYS A 29 17.246 -4.773 5.119 1.00 0.00 C ATOM 471 C LYS A 29 18.421 -4.708 4.150 1.00 0.00 C ATOM 472 O LYS A 29 19.569 -4.940 4.524 1.00 0.00 O ATOM 473 CB LYS A 29 16.715 -6.194 5.195 1.00 0.00 C ATOM 474 CG LYS A 29 17.616 -7.129 5.975 1.00 0.00 C ATOM 475 CD LYS A 29 17.143 -8.558 5.854 1.00 0.00 C ATOM 476 CE LYS A 29 15.751 -8.746 6.440 1.00 0.00 C ATOM 477 NZ LYS A 29 15.690 -8.373 7.879 1.00 0.00 N ATOM 0 H LYS A 29 15.461 -4.315 4.129 1.00 0.00 H new ATOM 0 HA LYS A 29 17.587 -4.468 6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.728 -6.182 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.588 -6.582 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.638 -7.048 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.632 -6.834 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.138 -8.851 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.844 -9.217 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.038 -8.141 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.447 -9.786 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.792 -8.704 8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.483 -8.815 8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.752 -7.339 7.973 1.00 0.00 H new ATOM 491 N LEU A 30 18.118 -4.359 2.910 1.00 0.00 N ATOM 492 CA LEU A 30 19.110 -4.321 1.845 1.00 0.00 C ATOM 493 C LEU A 30 19.967 -3.064 1.932 1.00 0.00 C ATOM 494 O LEU A 30 21.174 -3.115 1.708 1.00 0.00 O ATOM 495 CB LEU A 30 18.429 -4.422 0.485 1.00 0.00 C ATOM 496 CG LEU A 30 17.664 -5.726 0.245 1.00 0.00 C ATOM 497 CD1 LEU A 30 16.867 -5.642 -1.036 1.00 0.00 C ATOM 498 CD2 LEU A 30 18.614 -6.915 0.194 1.00 0.00 C ATOM 0 H LEU A 30 17.179 -4.094 2.613 1.00 0.00 H new ATOM 0 HA LEU A 30 19.772 -5.178 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.737 -3.586 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.185 -4.312 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 30 16.978 -5.872 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.329 -6.577 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.154 -4.820 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.542 -5.468 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.045 -7.829 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.329 -6.775 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.150 -6.994 1.140 1.00 0.00 H new ATOM 510 N VAL A 31 19.349 -1.935 2.262 1.00 0.00 N ATOM 511 CA VAL A 31 20.105 -0.707 2.474 1.00 0.00 C ATOM 512 C VAL A 31 20.702 -0.704 3.883 1.00 0.00 C ATOM 513 O VAL A 31 21.543 0.128 4.232 1.00 0.00 O ATOM 514 CB VAL A 31 19.248 0.568 2.251 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.169 0.722 3.307 1.00 0.00 C ATOM 516 CG2 VAL A 31 20.129 1.805 2.207 1.00 0.00 C ATOM 0 H VAL A 31 18.341 -1.845 2.387 1.00 0.00 H new ATOM 0 HA VAL A 31 20.904 -0.684 1.733 1.00 0.00 H new ATOM 0 HB VAL A 31 18.748 0.456 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.595 1.627 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.505 -0.142 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.631 0.792 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.509 2.688 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.667 1.902 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 31 20.844 1.714 1.389 1.00 0.00 H new ATOM 526 N GLY A 32 20.255 -1.666 4.680 1.00 0.00 N ATOM 527 CA GLY A 32 20.773 -1.843 6.018 1.00 0.00 C ATOM 528 C GLY A 32 20.260 -0.794 6.981 1.00 0.00 C ATOM 529 O GLY A 32 21.047 -0.109 7.630 1.00 0.00 O ATOM 0 H GLY A 32 19.532 -2.335 4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.498 -2.832 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.862 -1.805 5.991 1.00 0.00 H new ATOM 533 N GLU A 33 18.936 -0.679 7.063 1.00 0.00 N ATOM 534 CA GLU A 33 18.274 0.280 7.943 1.00 0.00 C ATOM 535 C GLU A 33 18.597 1.711 7.521 1.00 0.00 C ATOM 536 O GLU A 33 17.932 2.214 6.597 1.00 0.00 O ATOM 537 CB GLU A 33 18.663 0.043 9.408 1.00 0.00 C ATOM 538 CG GLU A 33 18.330 -1.355 9.912 1.00 0.00 C ATOM 539 CD GLU A 33 16.849 -1.668 9.835 1.00 0.00 C ATOM 540 OE1 GLU A 33 16.405 -2.187 8.790 1.00 0.00 O ATOM 541 OE2 GLU A 33 16.133 -1.395 10.821 1.00 0.00 O ATOM 542 OXT GLU A 33 19.514 2.327 8.109 1.00 0.00 O ATOM 0 H GLU A 33 18.290 -1.251 6.519 1.00 0.00 H new ATOM 0 HA GLU A 33 17.198 0.132 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 33 19.733 0.216 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.153 0.776 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.883 -2.089 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.665 -1.454 10.945 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -26.788 4.871 3.628 1.00 0.00 N ATOM 551 CA GLY B 1 -25.545 5.172 2.877 1.00 0.00 C ATOM 552 C GLY B 1 -24.453 4.169 3.171 1.00 0.00 C ATOM 553 O GLY B 1 -24.479 3.507 4.208 1.00 0.00 O ATOM 0 H1 GLY B 1 -27.449 4.356 3.012 1.00 0.00 H new ATOM 0 H2 GLY B 1 -26.560 4.286 4.457 1.00 0.00 H new ATOM 0 H3 GLY B 1 -27.228 5.760 3.942 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.758 5.174 1.808 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -25.198 6.173 3.135 1.00 0.00 H new ATOM 559 N SER B 2 -23.495 4.060 2.264 1.00 0.00 N ATOM 560 CA SER B 2 -22.398 3.113 2.411 1.00 0.00 C ATOM 561 C SER B 2 -21.188 3.536 1.582 1.00 0.00 C ATOM 562 O SER B 2 -20.046 3.351 2.003 1.00 0.00 O ATOM 563 CB SER B 2 -22.854 1.714 1.992 1.00 0.00 C ATOM 564 OG SER B 2 -23.635 1.770 0.811 1.00 0.00 O ATOM 0 H SER B 2 -23.454 4.619 1.412 1.00 0.00 H new ATOM 0 HA SER B 2 -22.103 3.098 3.460 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.984 1.077 1.828 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.434 1.260 2.795 1.00 0.00 H new ATOM 0 HG SER B 2 -23.914 0.865 0.560 1.00 0.00 H new ATOM 570 N MET B 3 -21.453 4.125 0.419 1.00 0.00 N ATOM 571 CA MET B 3 -20.405 4.471 -0.538 1.00 0.00 C ATOM 572 C MET B 3 -19.262 5.253 0.097 1.00 0.00 C ATOM 573 O MET B 3 -18.107 4.865 -0.034 1.00 0.00 O ATOM 574 CB MET B 3 -20.988 5.260 -1.713 1.00 0.00 C ATOM 575 CG MET B 3 -21.773 4.399 -2.686 1.00 0.00 C ATOM 576 SD MET B 3 -20.742 3.153 -3.483 1.00 0.00 S ATOM 577 CE MET B 3 -21.958 2.291 -4.476 1.00 0.00 C ATOM 0 H MET B 3 -22.394 4.375 0.114 1.00 0.00 H new ATOM 0 HA MET B 3 -19.991 3.530 -0.900 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.639 6.045 -1.327 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.177 5.753 -2.248 1.00 0.00 H new ATOM 0 HG2 MET B 3 -22.589 3.907 -2.156 1.00 0.00 H new ATOM 0 HG3 MET B 3 -22.225 5.035 -3.447 1.00 0.00 H new ATOM 0 HE1 MET B 3 -21.472 1.488 -5.030 1.00 0.00 H new ATOM 0 HE2 MET B 3 -22.726 1.871 -3.827 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.417 2.989 -5.176 1.00 0.00 H new ATOM 587 N LYS B 4 -19.574 6.326 0.814 1.00 0.00 N ATOM 588 CA LYS B 4 -18.531 7.197 1.355 1.00 0.00 C ATOM 589 C LYS B 4 -17.809 6.549 2.536 1.00 0.00 C ATOM 590 O LYS B 4 -16.772 7.031 2.977 1.00 0.00 O ATOM 591 CB LYS B 4 -19.107 8.552 1.774 1.00 0.00 C ATOM 592 CG LYS B 4 -20.052 8.497 2.966 1.00 0.00 C ATOM 593 CD LYS B 4 -20.529 9.890 3.345 1.00 0.00 C ATOM 594 CE LYS B 4 -21.417 9.874 4.577 1.00 0.00 C ATOM 595 NZ LYS B 4 -22.688 9.141 4.343 1.00 0.00 N ATOM 0 H LYS B 4 -20.528 6.614 1.034 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.804 7.355 0.558 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -18.283 9.225 2.011 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -19.638 8.984 0.926 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -20.909 7.867 2.727 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -19.546 8.038 3.815 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -19.666 10.531 3.529 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -21.077 10.325 2.509 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -20.879 9.411 5.404 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -21.640 10.898 4.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -23.305 9.242 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -23.166 9.533 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -22.484 8.134 4.184 1.00 0.00 H new ATOM 609 N GLN B 5 -18.343 5.440 3.019 1.00 0.00 N ATOM 610 CA GLN B 5 -17.776 4.745 4.163 1.00 0.00 C ATOM 611 C GLN B 5 -16.860 3.648 3.667 1.00 0.00 C ATOM 612 O GLN B 5 -15.746 3.469 4.160 1.00 0.00 O ATOM 613 CB GLN B 5 -18.878 4.141 5.032 1.00 0.00 C ATOM 614 CG GLN B 5 -19.833 5.163 5.615 1.00 0.00 C ATOM 615 CD GLN B 5 -20.930 4.518 6.433 1.00 0.00 C ATOM 616 OE1 GLN B 5 -21.994 4.186 5.913 1.00 0.00 O ATOM 617 NE2 GLN B 5 -20.672 4.318 7.713 1.00 0.00 N ATOM 0 H GLN B 5 -19.177 4.998 2.632 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.215 5.457 4.768 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.446 3.427 4.436 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.418 3.582 5.847 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.278 5.861 6.241 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.278 5.744 4.807 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -19.776 4.609 8.104 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -21.369 3.873 8.310 1.00 0.00 H new ATOM 626 N LEU B 6 -17.344 2.922 2.675 1.00 0.00 N ATOM 627 CA LEU B 6 -16.555 1.902 2.014 1.00 0.00 C ATOM 628 C LEU B 6 -15.418 2.561 1.253 1.00 0.00 C ATOM 629 O LEU B 6 -14.274 2.117 1.316 1.00 0.00 O ATOM 630 CB LEU B 6 -17.425 1.079 1.054 1.00 0.00 C ATOM 631 CG LEU B 6 -18.245 -0.078 1.661 1.00 0.00 C ATOM 632 CD1 LEU B 6 -17.339 -1.213 2.121 1.00 0.00 C ATOM 633 CD2 LEU B 6 -19.111 0.402 2.817 1.00 0.00 C ATOM 0 H LEU B 6 -18.290 3.023 2.308 1.00 0.00 H new ATOM 0 HA LEU B 6 -16.148 1.227 2.767 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.117 1.759 0.558 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.777 0.665 0.282 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.900 -0.455 0.876 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.945 -2.014 2.544 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.775 -1.596 1.270 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.648 -0.843 2.878 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.676 -0.438 3.222 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.476 0.822 3.597 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.802 1.166 2.461 1.00 0.00 H new ATOM 645 N GLU B 7 -15.741 3.643 0.547 1.00 0.00 N ATOM 646 CA GLU B 7 -14.739 4.414 -0.175 1.00 0.00 C ATOM 647 C GLU B 7 -13.721 5.009 0.794 1.00 0.00 C ATOM 648 O GLU B 7 -12.544 5.153 0.452 1.00 0.00 O ATOM 649 CB GLU B 7 -15.402 5.520 -1.001 1.00 0.00 C ATOM 650 CG GLU B 7 -14.440 6.279 -1.898 1.00 0.00 C ATOM 651 CD GLU B 7 -15.139 7.329 -2.738 1.00 0.00 C ATOM 652 OE1 GLU B 7 -15.374 8.440 -2.220 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.448 7.038 -3.912 1.00 0.00 O ATOM 0 H GLU B 7 -16.691 4.004 0.461 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.216 3.743 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.186 5.080 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -15.885 6.225 -0.325 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.677 6.758 -1.285 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -13.927 5.575 -2.554 1.00 0.00 H new ATOM 660 N ASP B 8 -14.167 5.351 2.008 1.00 0.00 N ATOM 661 CA ASP B 8 -13.238 5.819 3.039 1.00 0.00 C ATOM 662 C ASP B 8 -12.213 4.741 3.366 1.00 0.00 C ATOM 663 O ASP B 8 -11.040 5.036 3.596 1.00 0.00 O ATOM 664 CB ASP B 8 -13.967 6.233 4.320 1.00 0.00 C ATOM 665 CG ASP B 8 -14.196 7.730 4.399 1.00 0.00 C ATOM 666 OD1 ASP B 8 -15.268 8.145 4.886 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.301 8.488 3.972 1.00 0.00 O ATOM 0 H ASP B 8 -15.145 5.314 2.296 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.731 6.696 2.636 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.927 5.719 4.371 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.387 5.911 5.185 1.00 0.00 H new ATOM 672 N LYS B 9 -12.663 3.493 3.376 1.00 0.00 N ATOM 673 CA LYS B 9 -11.789 2.360 3.650 1.00 0.00 C ATOM 674 C LYS B 9 -10.774 2.180 2.526 1.00 0.00 C ATOM 675 O LYS B 9 -9.587 1.949 2.774 1.00 0.00 O ATOM 676 CB LYS B 9 -12.612 1.076 3.810 1.00 0.00 C ATOM 677 CG LYS B 9 -13.651 1.140 4.921 1.00 0.00 C ATOM 678 CD LYS B 9 -13.010 1.258 6.294 1.00 0.00 C ATOM 679 CE LYS B 9 -12.252 -0.006 6.671 1.00 0.00 C ATOM 680 NZ LYS B 9 -11.600 0.117 8.000 1.00 0.00 N ATOM 0 H LYS B 9 -13.634 3.239 3.196 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.256 2.561 4.579 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.116 0.860 2.868 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.935 0.245 4.007 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.309 1.993 4.754 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -14.273 0.246 4.887 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -12.328 2.108 6.306 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -13.780 1.457 7.039 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -12.939 -0.852 6.680 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -11.497 -0.216 5.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -11.094 -0.764 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -10.926 0.909 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -12.323 0.292 8.727 1.00 0.00 H new ATOM 694 N VAL B 10 -11.252 2.296 1.291 1.00 0.00 N ATOM 695 CA VAL B 10 -10.406 2.119 0.116 1.00 0.00 C ATOM 696 C VAL B 10 -9.304 3.179 0.078 1.00 0.00 C ATOM 697 O VAL B 10 -8.121 2.858 -0.033 1.00 0.00 O ATOM 698 CB VAL B 10 -11.216 2.214 -1.198 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.401 1.688 -2.364 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.533 1.468 -1.110 1.00 0.00 C ATOM 0 H VAL B 10 -12.226 2.513 1.078 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.970 1.123 0.194 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.441 3.268 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -10.987 1.763 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.490 2.278 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.140 0.645 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.068 1.562 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.342 0.415 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.137 1.890 -0.307 1.00 0.00 H new ATOM 710 N GLU B 11 -9.700 4.444 0.195 1.00 0.00 N ATOM 711 CA GLU B 11 -8.762 5.557 0.068 1.00 0.00 C ATOM 712 C GLU B 11 -7.810 5.638 1.261 1.00 0.00 C ATOM 713 O GLU B 11 -6.739 6.234 1.167 1.00 0.00 O ATOM 714 CB GLU B 11 -9.514 6.879 -0.084 1.00 0.00 C ATOM 715 CG GLU B 11 -10.369 6.957 -1.336 1.00 0.00 C ATOM 716 CD GLU B 11 -11.014 8.318 -1.513 1.00 0.00 C ATOM 717 OE1 GLU B 11 -10.466 9.140 -2.276 1.00 0.00 O ATOM 718 OE2 GLU B 11 -12.066 8.562 -0.887 1.00 0.00 O ATOM 0 H GLU B 11 -10.664 4.724 0.377 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.167 5.375 -0.827 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.150 7.027 0.789 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -8.794 7.697 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -9.753 6.734 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -11.145 6.193 -1.290 1.00 0.00 H new ATOM 725 N GLU B 12 -8.195 5.042 2.380 1.00 0.00 N ATOM 726 CA GLU B 12 -7.319 4.989 3.542 1.00 0.00 C ATOM 727 C GLU B 12 -6.145 4.075 3.236 1.00 0.00 C ATOM 728 O GLU B 12 -4.989 4.403 3.509 1.00 0.00 O ATOM 729 CB GLU B 12 -8.072 4.488 4.775 1.00 0.00 C ATOM 730 CG GLU B 12 -7.229 4.496 6.041 1.00 0.00 C ATOM 731 CD GLU B 12 -7.969 3.958 7.247 1.00 0.00 C ATOM 732 OE1 GLU B 12 -8.690 4.742 7.899 1.00 0.00 O ATOM 733 OE2 GLU B 12 -7.821 2.756 7.546 1.00 0.00 O ATOM 0 H GLU B 12 -9.101 4.591 2.508 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.958 5.994 3.759 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -8.954 5.109 4.930 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.425 3.474 4.589 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -6.331 3.900 5.877 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -6.902 5.515 6.247 1.00 0.00 H new ATOM 740 N LEU B 13 -6.451 2.932 2.638 1.00 0.00 N ATOM 741 CA LEU B 13 -5.419 2.015 2.194 1.00 0.00 C ATOM 742 C LEU B 13 -4.659 2.620 1.023 1.00 0.00 C ATOM 743 O LEU B 13 -3.483 2.335 0.821 1.00 0.00 O ATOM 744 CB LEU B 13 -6.022 0.668 1.796 1.00 0.00 C ATOM 745 CG LEU B 13 -6.705 -0.101 2.928 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.135 -1.472 2.445 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.782 -0.229 4.131 1.00 0.00 C ATOM 0 H LEU B 13 -7.404 2.621 2.451 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.727 1.845 3.019 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.749 0.834 1.001 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.232 0.043 1.379 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.589 0.457 3.236 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.620 -2.009 3.260 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.834 -1.363 1.616 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.261 -2.031 2.111 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.290 -0.780 4.923 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.878 -0.763 3.840 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.516 0.764 4.493 1.00 0.00 H new ATOM 759 N LEU B 14 -5.348 3.459 0.262 1.00 0.00 N ATOM 760 CA LEU B 14 -4.749 4.188 -0.848 1.00 0.00 C ATOM 761 C LEU B 14 -3.665 5.134 -0.341 1.00 0.00 C ATOM 762 O LEU B 14 -2.641 5.336 -0.992 1.00 0.00 O ATOM 763 CB LEU B 14 -5.827 4.994 -1.571 1.00 0.00 C ATOM 764 CG LEU B 14 -5.432 5.559 -2.936 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.300 4.444 -3.957 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.451 6.590 -3.397 1.00 0.00 C ATOM 0 H LEU B 14 -6.340 3.654 0.397 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.299 3.472 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.703 4.359 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.127 5.822 -0.929 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.464 6.050 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.018 4.866 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.534 3.741 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.253 3.924 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -6.156 6.983 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.432 6.122 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.496 7.405 -2.675 1.00 0.00 H new ATOM 778 N SER B 15 -3.907 5.698 0.832 1.00 0.00 N ATOM 779 CA SER B 15 -3.002 6.658 1.440 1.00 0.00 C ATOM 780 C SER B 15 -1.723 5.970 1.901 1.00 0.00 C ATOM 781 O SER B 15 -0.621 6.454 1.640 1.00 0.00 O ATOM 782 CB SER B 15 -3.689 7.358 2.617 1.00 0.00 C ATOM 783 OG SER B 15 -2.849 8.339 3.204 1.00 0.00 O ATOM 0 H SER B 15 -4.738 5.502 1.389 1.00 0.00 H new ATOM 0 HA SER B 15 -2.737 7.407 0.694 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.612 7.826 2.274 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.967 6.619 3.369 1.00 0.00 H new ATOM 0 HG SER B 15 -3.318 8.767 3.950 1.00 0.00 H new ATOM 789 N LYS B 16 -1.859 4.838 2.581 1.00 0.00 N ATOM 790 CA LYS B 16 -0.682 4.086 2.994 1.00 0.00 C ATOM 791 C LYS B 16 -0.008 3.454 1.787 1.00 0.00 C ATOM 792 O LYS B 16 1.207 3.333 1.762 1.00 0.00 O ATOM 793 CB LYS B 16 -0.989 3.030 4.062 1.00 0.00 C ATOM 794 CG LYS B 16 -2.053 2.015 3.677 1.00 0.00 C ATOM 795 CD LYS B 16 -2.343 1.025 4.801 1.00 0.00 C ATOM 796 CE LYS B 16 -1.284 -0.069 4.914 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.016 0.410 5.525 1.00 0.00 N ATOM 0 H LYS B 16 -2.752 4.428 2.853 1.00 0.00 H new ATOM 0 HA LYS B 16 0.002 4.798 3.455 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.068 2.496 4.299 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.306 3.538 4.973 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.971 2.538 3.411 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.728 1.470 2.791 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.405 1.564 5.747 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -3.317 0.566 4.632 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.681 -0.891 5.511 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.075 -0.468 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.312 -0.280 6.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.707 0.518 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.178 1.328 5.987 1.00 0.00 H new ATOM 811 N ASN B 17 -0.798 3.069 0.788 1.00 0.00 N ATOM 812 CA ASN B 17 -0.253 2.632 -0.497 1.00 0.00 C ATOM 813 C ASN B 17 0.624 3.726 -1.072 1.00 0.00 C ATOM 814 O ASN B 17 1.734 3.473 -1.532 1.00 0.00 O ATOM 815 CB ASN B 17 -1.378 2.311 -1.484 1.00 0.00 C ATOM 816 CG ASN B 17 -1.680 0.831 -1.565 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.783 -0.004 -1.502 1.00 0.00 O ATOM 818 ND2 ASN B 17 -2.952 0.495 -1.703 1.00 0.00 N ATOM 0 H ASN B 17 -1.816 3.050 0.842 1.00 0.00 H new ATOM 0 HA ASN B 17 0.336 1.729 -0.335 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.280 2.846 -1.187 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.103 2.676 -2.473 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.216 -0.488 -1.761 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.668 1.219 -1.751 1.00 0.00 H new ATOM 825 N TYR B 18 0.116 4.951 -1.023 1.00 0.00 N ATOM 826 CA TYR B 18 0.873 6.110 -1.475 1.00 0.00 C ATOM 827 C TYR B 18 2.179 6.240 -0.689 1.00 0.00 C ATOM 828 O TYR B 18 3.230 6.555 -1.252 1.00 0.00 O ATOM 829 CB TYR B 18 0.020 7.375 -1.322 1.00 0.00 C ATOM 830 CG TYR B 18 0.749 8.666 -1.620 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.113 9.529 -0.593 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.063 9.028 -2.924 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.770 10.713 -0.857 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.724 10.212 -3.195 1.00 0.00 C ATOM 835 CZ TYR B 18 2.072 11.050 -2.157 1.00 0.00 C ATOM 836 OH TYR B 18 2.726 12.234 -2.420 1.00 0.00 O ATOM 0 H TYR B 18 -0.818 5.167 -0.674 1.00 0.00 H new ATOM 0 HA TYR B 18 1.126 5.980 -2.527 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.842 7.298 -1.985 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.364 7.417 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.878 9.268 0.428 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.787 8.375 -3.738 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.046 11.372 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.966 10.479 -4.213 1.00 0.00 H new ATOM 0 HH TYR B 18 2.866 12.323 -3.386 1.00 0.00 H new ATOM 846 N HIS B 19 2.111 5.967 0.607 1.00 0.00 N ATOM 847 CA HIS B 19 3.273 6.091 1.476 1.00 0.00 C ATOM 848 C HIS B 19 4.259 4.946 1.265 1.00 0.00 C ATOM 849 O HIS B 19 5.451 5.188 1.098 1.00 0.00 O ATOM 850 CB HIS B 19 2.848 6.169 2.944 1.00 0.00 C ATOM 851 CG HIS B 19 2.140 7.444 3.291 1.00 0.00 C ATOM 852 ND1 HIS B 19 0.928 7.487 3.945 1.00 0.00 N ATOM 853 CD2 HIS B 19 2.488 8.733 3.067 1.00 0.00 C ATOM 854 CE1 HIS B 19 0.561 8.745 4.103 1.00 0.00 C ATOM 855 NE2 HIS B 19 1.490 9.518 3.581 1.00 0.00 N ATOM 0 H HIS B 19 1.262 5.658 1.080 1.00 0.00 H new ATOM 0 HA HIS B 19 3.781 7.018 1.211 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.195 5.326 3.171 1.00 0.00 H new ATOM 0 HB3 HIS B 19 3.730 6.068 3.576 1.00 0.00 H new ATOM 0 HD2 HIS B 19 3.385 9.078 2.575 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.347 9.083 4.580 1.00 0.00 H new ATOM 0 HE2 HIS B 19 1.470 10.538 3.562 1.00 0.00 H new ATOM 864 N LEU B 20 3.764 3.707 1.269 1.00 0.00 N ATOM 865 CA LEU B 20 4.607 2.530 1.036 1.00 0.00 C ATOM 866 C LEU B 20 5.320 2.656 -0.291 1.00 0.00 C ATOM 867 O LEU B 20 6.538 2.538 -0.368 1.00 0.00 O ATOM 868 CB LEU B 20 3.778 1.243 1.001 1.00 0.00 C ATOM 869 CG LEU B 20 2.878 1.000 2.197 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.309 -0.407 2.172 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.607 1.268 3.507 1.00 0.00 C ATOM 0 H LEU B 20 2.780 3.491 1.431 1.00 0.00 H new ATOM 0 HA LEU B 20 5.321 2.480 1.858 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.160 1.256 0.103 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.460 0.398 0.906 1.00 0.00 H new ATOM 0 HG LEU B 20 2.048 1.703 2.132 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.667 -0.555 3.040 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.726 -0.548 1.262 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.125 -1.130 2.196 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.932 1.084 4.343 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.470 0.607 3.585 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.941 2.305 3.532 1.00 0.00 H new ATOM 883 N GLU B 21 4.535 2.901 -1.328 1.00 0.00 N ATOM 884 CA GLU B 21 5.053 2.989 -2.692 1.00 0.00 C ATOM 885 C GLU B 21 6.191 4.005 -2.787 1.00 0.00 C ATOM 886 O GLU B 21 7.217 3.738 -3.412 1.00 0.00 O ATOM 887 CB GLU B 21 3.929 3.360 -3.663 1.00 0.00 C ATOM 888 CG GLU B 21 3.996 2.626 -4.996 1.00 0.00 C ATOM 889 CD GLU B 21 5.250 2.940 -5.791 1.00 0.00 C ATOM 890 OE1 GLU B 21 5.276 3.989 -6.466 1.00 0.00 O ATOM 891 OE2 GLU B 21 6.204 2.135 -5.739 1.00 0.00 O ATOM 0 H GLU B 21 3.528 3.044 -1.254 1.00 0.00 H new ATOM 0 HA GLU B 21 5.450 2.011 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.970 3.148 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.962 4.434 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.948 1.552 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.121 2.888 -5.592 1.00 0.00 H new ATOM 898 N ASN B 22 6.014 5.161 -2.159 1.00 0.00 N ATOM 899 CA ASN B 22 7.048 6.191 -2.177 1.00 0.00 C ATOM 900 C ASN B 22 8.186 5.841 -1.229 1.00 0.00 C ATOM 901 O ASN B 22 9.337 6.196 -1.474 1.00 0.00 O ATOM 902 CB ASN B 22 6.470 7.563 -1.829 1.00 0.00 C ATOM 903 CG ASN B 22 5.818 8.230 -3.021 1.00 0.00 C ATOM 904 OD1 ASN B 22 6.476 8.929 -3.792 1.00 0.00 O ATOM 905 ND2 ASN B 22 4.519 8.031 -3.181 1.00 0.00 N ATOM 0 H ASN B 22 5.174 5.408 -1.636 1.00 0.00 H new ATOM 0 HA ASN B 22 7.446 6.236 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.736 7.454 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.265 8.203 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN B 22 4.029 8.464 -3.964 1.00 0.00 H new ATOM 0 HD22 ASN B 22 4.008 7.445 -2.521 1.00 0.00 H new ATOM 912 N GLU B 23 7.863 5.129 -0.155 1.00 0.00 N ATOM 913 CA GLU B 23 8.877 4.677 0.789 1.00 0.00 C ATOM 914 C GLU B 23 9.790 3.656 0.113 1.00 0.00 C ATOM 915 O GLU B 23 11.004 3.648 0.329 1.00 0.00 O ATOM 916 CB GLU B 23 8.211 4.083 2.034 1.00 0.00 C ATOM 917 CG GLU B 23 9.178 3.720 3.146 1.00 0.00 C ATOM 918 CD GLU B 23 8.462 3.356 4.432 1.00 0.00 C ATOM 919 OE1 GLU B 23 8.531 4.146 5.394 1.00 0.00 O ATOM 920 OE2 GLU B 23 7.820 2.286 4.472 1.00 0.00 O ATOM 0 H GLU B 23 6.910 4.853 0.083 1.00 0.00 H new ATOM 0 HA GLU B 23 9.483 5.526 1.105 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.484 4.798 2.419 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.657 3.190 1.744 1.00 0.00 H new ATOM 0 HG2 GLU B 23 9.797 2.882 2.827 1.00 0.00 H new ATOM 0 HG3 GLU B 23 9.848 4.559 3.331 1.00 0.00 H new ATOM 927 N VAL B 24 9.194 2.810 -0.724 1.00 0.00 N ATOM 928 CA VAL B 24 9.950 1.865 -1.534 1.00 0.00 C ATOM 929 C VAL B 24 10.883 2.617 -2.479 1.00 0.00 C ATOM 930 O VAL B 24 12.051 2.264 -2.625 1.00 0.00 O ATOM 931 CB VAL B 24 9.027 0.953 -2.380 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.850 0.011 -3.241 1.00 0.00 C ATOM 933 CG2 VAL B 24 8.081 0.156 -1.500 1.00 0.00 C ATOM 0 H VAL B 24 8.184 2.762 -0.858 1.00 0.00 H new ATOM 0 HA VAL B 24 10.519 1.240 -0.846 1.00 0.00 H new ATOM 0 HB VAL B 24 8.431 1.597 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.184 -0.621 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.484 0.591 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.474 -0.614 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.447 -0.474 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.658 -0.471 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.458 0.839 -0.923 1.00 0.00 H new ATOM 943 N ALA B 25 10.354 3.664 -3.108 1.00 0.00 N ATOM 944 CA ALA B 25 11.118 4.465 -4.060 1.00 0.00 C ATOM 945 C ALA B 25 12.360 5.064 -3.405 1.00 0.00 C ATOM 946 O ALA B 25 13.432 5.109 -4.013 1.00 0.00 O ATOM 947 CB ALA B 25 10.244 5.568 -4.645 1.00 0.00 C ATOM 0 H ALA B 25 9.393 3.979 -2.974 1.00 0.00 H new ATOM 0 HA ALA B 25 11.445 3.809 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.827 6.157 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.392 5.123 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.888 6.214 -3.843 1.00 0.00 H new ATOM 953 N ARG B 26 12.208 5.519 -2.166 1.00 0.00 N ATOM 954 CA ARG B 26 13.328 6.065 -1.409 1.00 0.00 C ATOM 955 C ARG B 26 14.375 4.990 -1.172 1.00 0.00 C ATOM 956 O ARG B 26 15.534 5.146 -1.556 1.00 0.00 O ATOM 957 CB ARG B 26 12.852 6.637 -0.068 1.00 0.00 C ATOM 958 CG ARG B 26 11.808 7.733 -0.206 1.00 0.00 C ATOM 959 CD ARG B 26 12.319 8.898 -1.039 1.00 0.00 C ATOM 960 NE ARG B 26 11.290 9.915 -1.240 1.00 0.00 N ATOM 961 CZ ARG B 26 11.378 10.900 -2.133 1.00 0.00 C ATOM 962 NH1 ARG B 26 12.455 11.023 -2.901 1.00 0.00 N ATOM 963 NH2 ARG B 26 10.386 11.769 -2.255 1.00 0.00 N ATOM 0 H ARG B 26 11.320 5.520 -1.665 1.00 0.00 H new ATOM 0 HA ARG B 26 13.772 6.873 -1.991 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.439 5.829 0.536 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.711 7.032 0.474 1.00 0.00 H new ATOM 0 HG2 ARG B 26 10.909 7.323 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG B 26 11.524 8.091 0.784 1.00 0.00 H new ATOM 0 HD2 ARG B 26 13.181 9.346 -0.546 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.660 8.530 -2.007 1.00 0.00 H new ATOM 0 HE ARG B 26 10.452 9.868 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG B 26 13.225 10.360 -2.810 1.00 0.00 H new ATOM 0 HH12 ARG B 26 12.512 11.781 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG B 26 9.558 11.683 -1.666 1.00 0.00 H new ATOM 0 HH22 ARG B 26 10.451 12.524 -2.938 1.00 0.00 H new ATOM 977 N LEU B 27 13.950 3.885 -0.575 1.00 0.00 N ATOM 978 CA LEU B 27 14.853 2.786 -0.250 1.00 0.00 C ATOM 979 C LEU B 27 15.512 2.213 -1.497 1.00 0.00 C ATOM 980 O LEU B 27 16.682 1.835 -1.472 1.00 0.00 O ATOM 981 CB LEU B 27 14.105 1.665 0.462 1.00 0.00 C ATOM 982 CG LEU B 27 13.970 1.781 1.985 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.541 3.177 2.407 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.972 0.756 2.493 1.00 0.00 C ATOM 0 H LEU B 27 12.980 3.724 -0.304 1.00 0.00 H new ATOM 0 HA LEU B 27 15.623 3.194 0.404 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.104 1.601 0.036 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.608 0.725 0.236 1.00 0.00 H new ATOM 0 HG LEU B 27 14.949 1.588 2.423 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.456 3.219 3.493 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.283 3.902 2.073 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.576 3.412 1.959 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.880 0.843 3.576 1.00 0.00 H new ATOM 0 HD22 LEU B 27 12.001 0.934 2.031 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.317 -0.246 2.238 1.00 0.00 H new ATOM 996 N LYS B 28 14.754 2.143 -2.582 1.00 0.00 N ATOM 997 CA LYS B 28 15.246 1.576 -3.831 1.00 0.00 C ATOM 998 C LYS B 28 16.410 2.400 -4.368 1.00 0.00 C ATOM 999 O LYS B 28 17.303 1.878 -5.030 1.00 0.00 O ATOM 1000 CB LYS B 28 14.114 1.512 -4.860 1.00 0.00 C ATOM 1001 CG LYS B 28 14.409 0.655 -6.087 1.00 0.00 C ATOM 1002 CD LYS B 28 14.190 -0.839 -5.833 1.00 0.00 C ATOM 1003 CE LYS B 28 15.359 -1.491 -5.110 1.00 0.00 C ATOM 1004 NZ LYS B 28 15.267 -2.975 -5.134 1.00 0.00 N ATOM 0 H LYS B 28 13.790 2.474 -2.623 1.00 0.00 H new ATOM 0 HA LYS B 28 15.603 0.564 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.220 1.125 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.884 2.525 -5.189 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.772 0.976 -6.911 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.440 0.819 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.283 -0.974 -5.243 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.029 -1.345 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS B 28 16.294 -1.178 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS B 28 15.385 -1.145 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 15.360 -3.344 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 14.347 -3.259 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 16.030 -3.361 -5.726 1.00 0.00 H new ATOM 1018 N LYS B 29 16.398 3.687 -4.064 1.00 0.00 N ATOM 1019 CA LYS B 29 17.476 4.578 -4.460 1.00 0.00 C ATOM 1020 C LYS B 29 18.611 4.512 -3.443 1.00 0.00 C ATOM 1021 O LYS B 29 19.776 4.734 -3.771 1.00 0.00 O ATOM 1022 CB LYS B 29 16.957 6.002 -4.567 1.00 0.00 C ATOM 1023 CG LYS B 29 17.896 6.925 -5.315 1.00 0.00 C ATOM 1024 CD LYS B 29 17.427 8.358 -5.225 1.00 0.00 C ATOM 1025 CE LYS B 29 16.063 8.552 -5.872 1.00 0.00 C ATOM 1026 NZ LYS B 29 16.068 8.187 -7.314 1.00 0.00 N ATOM 0 H LYS B 29 15.649 4.140 -3.541 1.00 0.00 H new ATOM 0 HA LYS B 29 17.856 4.264 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.990 5.992 -5.070 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.791 6.398 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS B 29 18.901 6.840 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS B 29 17.954 6.622 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS B 29 17.378 8.659 -4.178 1.00 0.00 H new ATOM 0 HD3 LYS B 29 18.154 9.009 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.325 7.945 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS B 29 15.756 9.592 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 15.598 8.935 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 17.049 8.082 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 15.561 7.289 -7.447 1.00 0.00 H new ATOM 1040 N LEU B 30 18.253 4.175 -2.212 1.00 0.00 N ATOM 1041 CA LEU B 30 19.201 4.139 -1.107 1.00 0.00 C ATOM 1042 C LEU B 30 20.054 2.881 -1.149 1.00 0.00 C ATOM 1043 O LEU B 30 21.252 2.931 -0.879 1.00 0.00 O ATOM 1044 CB LEU B 30 18.468 4.256 0.224 1.00 0.00 C ATOM 1045 CG LEU B 30 17.705 5.568 0.424 1.00 0.00 C ATOM 1046 CD1 LEU B 30 16.855 5.502 1.672 1.00 0.00 C ATOM 1047 CD2 LEU B 30 18.661 6.750 0.509 1.00 0.00 C ATOM 0 H LEU B 30 17.300 3.920 -1.951 1.00 0.00 H new ATOM 0 HA LEU B 30 19.872 4.992 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU B 30 17.766 3.427 0.310 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.191 4.146 1.032 1.00 0.00 H new ATOM 0 HG LEU B 30 17.056 5.711 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.320 6.443 1.798 1.00 0.00 H new ATOM 0 HD12 LEU B 30 16.138 4.686 1.581 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.493 5.329 2.538 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.092 7.669 0.651 1.00 0.00 H new ATOM 0 HD22 LEU B 30 19.339 6.610 1.351 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.237 6.819 -0.414 1.00 0.00 H new ATOM 1059 N VAL B 31 19.444 1.752 -1.495 1.00 0.00 N ATOM 1060 CA VAL B 31 20.201 0.519 -1.668 1.00 0.00 C ATOM 1061 C VAL B 31 20.858 0.505 -3.048 1.00 0.00 C ATOM 1062 O VAL B 31 21.721 -0.319 -3.348 1.00 0.00 O ATOM 1063 CB VAL B 31 19.326 -0.750 -1.474 1.00 0.00 C ATOM 1064 CG1 VAL B 31 18.290 -0.902 -2.574 1.00 0.00 C ATOM 1065 CG2 VAL B 31 20.196 -1.994 -1.387 1.00 0.00 C ATOM 0 H VAL B 31 18.441 1.666 -1.659 1.00 0.00 H new ATOM 0 HA VAL B 31 20.968 0.495 -0.894 1.00 0.00 H new ATOM 0 HB VAL B 31 18.788 -0.630 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL B 31 17.701 -1.802 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL B 31 17.632 -0.033 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL B 31 18.792 -0.980 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL B 31 19.564 -2.871 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL B 31 20.772 -2.100 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL B 31 20.877 -1.903 -0.541 1.00 0.00 H new ATOM 1075 N GLY B 32 20.442 1.457 -3.876 1.00 0.00 N ATOM 1076 CA GLY B 32 21.019 1.620 -5.192 1.00 0.00 C ATOM 1077 C GLY B 32 20.541 0.571 -6.172 1.00 0.00 C ATOM 1078 O GLY B 32 21.353 -0.111 -6.799 1.00 0.00 O ATOM 0 H GLY B 32 19.705 2.126 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY B 32 20.769 2.610 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY B 32 22.105 1.573 -5.117 1.00 0.00 H new ATOM 1082 N GLU B 33 19.221 0.458 -6.299 1.00 0.00 N ATOM 1083 CA GLU B 33 18.587 -0.504 -7.197 1.00 0.00 C ATOM 1084 C GLU B 33 18.889 -1.934 -6.756 1.00 0.00 C ATOM 1085 O GLU B 33 18.184 -2.435 -5.857 1.00 0.00 O ATOM 1086 CB GLU B 33 19.032 -0.278 -8.649 1.00 0.00 C ATOM 1087 CG GLU B 33 18.729 1.120 -9.173 1.00 0.00 C ATOM 1088 CD GLU B 33 17.248 1.446 -9.159 1.00 0.00 C ATOM 1089 OE1 GLU B 33 16.769 1.995 -8.144 1.00 0.00 O ATOM 1090 OE2 GLU B 33 16.567 1.154 -10.163 1.00 0.00 O ATOM 1091 OXT GLU B 33 19.827 -2.549 -7.302 1.00 0.00 O ATOM 0 H GLU B 33 18.558 1.034 -5.780 1.00 0.00 H new ATOM 0 HA GLU B 33 17.509 -0.351 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.104 -0.460 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU B 33 18.540 -1.011 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU B 33 19.263 1.853 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU B 33 19.107 1.211 -10.192 1.00 0.00 H new TER 1098 GLU B 33