USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 485 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 56 ASN :FLIP amide:sc= 0.621 X(o=-1.5,f=-1.3) USER MOD Set 1.2: A 57 ASN :FLIP amide:sc= -1.91! F(o=-2.1,f=-1.3!) USER MOD Set 2.1: A 45 HIS : no HE2:sc= -0.141 X(o=-0.2,f=-0.089) USER MOD Set 2.2: A 66 HIS : no HD1:sc= -0.064 X(o=-0.2,f=-0.33) USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= -0.0561 USER MOD Set 3.2: A 14 THR OG1 : rot 130:sc= -1.46 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.52) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.532 K(o=-0.53,f=-4.6!) USER MOD Single : A 17 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -6.08! C(o=-6.1!,f=-6.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -1.77! USER MOD Single : A 29 CYS SG : rot 180:sc= -0.93 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -2.65! C(o=-3.9!,f=-2.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 0.0017 (180deg=0.000416) USER MOD Single : A 51 THR OG1 : rot 35:sc= 1.06 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.225) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -60:sc= 0.984 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot -82:sc= -2.35! USER MOD Single : A 68 LYS NZ :NH3+ -110:sc= -0.212 (180deg=-1.7) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 2.042 -6.215 7.598 1.00 10.00 N ATOM 12 CA ASP A 2 3.144 -6.716 8.402 1.00 10.00 C ATOM 13 C ASP A 2 4.258 -7.214 7.479 1.00 10.00 C ATOM 14 O ASP A 2 4.952 -8.177 7.801 1.00 10.00 O ATOM 15 CB ASP A 2 2.698 -7.887 9.280 1.00 10.00 C ATOM 16 CG ASP A 2 2.727 -7.615 10.785 1.00 10.00 C ATOM 17 OD1 ASP A 2 1.708 -7.095 11.288 1.00 10.00 O ATOM 18 OD2 ASP A 2 3.769 -7.935 11.399 1.00 10.00 O ATOM 0 HA ASP A 2 3.495 -5.903 9.037 1.00 10.00 H new ATOM 0 HB2 ASP A 2 1.684 -8.168 8.996 1.00 10.00 H new ATOM 0 HB3 ASP A 2 3.337 -8.744 9.069 1.00 10.00 H new ATOM 23 N VAL A 3 4.396 -6.534 6.350 1.00 10.00 N ATOM 24 CA VAL A 3 5.413 -6.897 5.378 1.00 10.00 C ATOM 25 C VAL A 3 4.995 -8.183 4.663 1.00 10.00 C ATOM 26 O VAL A 3 5.164 -9.278 5.198 1.00 10.00 O ATOM 27 CB VAL A 3 6.776 -7.010 6.065 1.00 10.00 C ATOM 28 CG1 VAL A 3 7.494 -8.295 5.647 1.00 10.00 C ATOM 29 CG2 VAL A 3 7.638 -5.780 5.777 1.00 10.00 C ATOM 0 H VAL A 3 3.821 -5.734 6.087 1.00 10.00 H new ATOM 0 HA VAL A 3 5.510 -6.121 4.619 1.00 10.00 H new ATOM 0 HB VAL A 3 6.608 -7.055 7.141 1.00 10.00 H new ATOM 0 HG11 VAL A 3 8.460 -8.352 6.149 1.00 10.00 H new ATOM 0 HG12 VAL A 3 6.889 -9.157 5.926 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.645 -8.293 4.568 1.00 10.00 H new ATOM 0 HG21 VAL A 3 8.601 -5.885 6.277 1.00 10.00 H new ATOM 0 HG22 VAL A 3 7.795 -5.689 4.702 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.133 -4.887 6.147 1.00 10.00 H new ATOM 39 N VAL A 4 4.457 -8.009 3.465 1.00 10.00 N ATOM 40 CA VAL A 4 4.013 -9.141 2.670 1.00 10.00 C ATOM 41 C VAL A 4 4.692 -9.096 1.300 1.00 10.00 C ATOM 42 O VAL A 4 5.112 -8.032 0.847 1.00 10.00 O ATOM 43 CB VAL A 4 2.486 -9.152 2.581 1.00 10.00 C ATOM 44 CG1 VAL A 4 2.014 -9.934 1.353 1.00 10.00 C ATOM 45 CG2 VAL A 4 1.866 -9.715 3.862 1.00 10.00 C ATOM 0 H VAL A 4 4.318 -7.099 3.025 1.00 10.00 H new ATOM 0 HA VAL A 4 4.304 -10.078 3.145 1.00 10.00 H new ATOM 0 HB VAL A 4 2.149 -8.121 2.471 1.00 10.00 H new ATOM 0 HG11 VAL A 4 0.925 -9.926 1.313 1.00 10.00 H new ATOM 0 HG12 VAL A 4 2.413 -9.470 0.451 1.00 10.00 H new ATOM 0 HG13 VAL A 4 2.367 -10.963 1.419 1.00 10.00 H new ATOM 0 HG21 VAL A 4 0.780 -9.712 3.772 1.00 10.00 H new ATOM 0 HG22 VAL A 4 2.214 -10.736 4.016 1.00 10.00 H new ATOM 0 HG23 VAL A 4 2.162 -9.099 4.711 1.00 10.00 H new ATOM 55 N THR A 5 4.778 -10.263 0.679 1.00 10.00 N ATOM 56 CA THR A 5 5.398 -10.369 -0.631 1.00 10.00 C ATOM 57 C THR A 5 4.512 -11.182 -1.577 1.00 10.00 C ATOM 58 O THR A 5 4.548 -12.412 -1.563 1.00 10.00 O ATOM 59 CB THR A 5 6.795 -10.964 -0.445 1.00 10.00 C ATOM 60 OG1 THR A 5 7.572 -9.878 0.051 1.00 10.00 O ATOM 61 CG2 THR A 5 7.462 -11.322 -1.776 1.00 10.00 C ATOM 0 H THR A 5 4.429 -11.143 1.058 1.00 10.00 H new ATOM 0 HA THR A 5 5.505 -9.390 -1.099 1.00 10.00 H new ATOM 0 HB THR A 5 6.729 -11.855 0.179 1.00 10.00 H new ATOM 0 HG1 THR A 5 8.493 -10.177 0.201 1.00 10.00 H new ATOM 0 HG21 THR A 5 8.451 -11.740 -1.587 1.00 10.00 H new ATOM 0 HG22 THR A 5 6.852 -12.056 -2.303 1.00 10.00 H new ATOM 0 HG23 THR A 5 7.558 -10.425 -2.388 1.00 10.00 H new ATOM 69 N TYR A 6 3.737 -10.463 -2.374 1.00 10.00 N ATOM 70 CA TYR A 6 2.842 -11.102 -3.324 1.00 10.00 C ATOM 71 C TYR A 6 3.559 -11.387 -4.646 1.00 10.00 C ATOM 72 O TYR A 6 3.750 -10.484 -5.459 1.00 10.00 O ATOM 73 CB TYR A 6 1.710 -10.104 -3.576 1.00 10.00 C ATOM 74 CG TYR A 6 0.812 -9.864 -2.362 1.00 10.00 C ATOM 75 CD1 TYR A 6 0.437 -10.923 -1.560 1.00 10.00 C ATOM 76 CD2 TYR A 6 0.376 -8.588 -2.068 1.00 10.00 C ATOM 77 CE1 TYR A 6 -0.409 -10.696 -0.417 1.00 10.00 C ATOM 78 CE2 TYR A 6 -0.471 -8.361 -0.925 1.00 10.00 C ATOM 79 CZ TYR A 6 -0.822 -9.427 -0.156 1.00 10.00 C ATOM 80 OH TYR A 6 -1.620 -9.213 0.924 1.00 10.00 O ATOM 0 H TYR A 6 3.710 -9.443 -2.382 1.00 10.00 H new ATOM 0 HA TYR A 6 2.481 -12.052 -2.931 1.00 10.00 H new ATOM 0 HB2 TYR A 6 2.141 -9.153 -3.890 1.00 10.00 H new ATOM 0 HB3 TYR A 6 1.098 -10.465 -4.402 1.00 10.00 H new ATOM 0 HD1 TYR A 6 0.778 -11.922 -1.790 1.00 10.00 H new ATOM 0 HD2 TYR A 6 0.670 -7.759 -2.695 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -0.709 -11.516 0.219 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -0.819 -7.367 -0.684 1.00 10.00 H new ATOM 0 HH TYR A 6 -1.836 -8.259 0.987 1.00 10.00 H new ATOM 90 N GLU A 7 3.936 -12.645 -4.819 1.00 10.00 N ATOM 91 CA GLU A 7 4.628 -13.060 -6.028 1.00 10.00 C ATOM 92 C GLU A 7 3.624 -13.306 -7.156 1.00 10.00 C ATOM 93 O GLU A 7 3.637 -14.363 -7.784 1.00 10.00 O ATOM 94 CB GLU A 7 5.482 -14.303 -5.772 1.00 10.00 C ATOM 95 CG GLU A 7 6.727 -13.954 -4.954 1.00 10.00 C ATOM 96 CD GLU A 7 7.297 -15.198 -4.267 1.00 10.00 C ATOM 97 OE1 GLU A 7 6.565 -15.770 -3.432 1.00 10.00 O ATOM 98 OE2 GLU A 7 8.451 -15.547 -4.594 1.00 10.00 O ATOM 0 H GLU A 7 3.775 -13.391 -4.142 1.00 10.00 H new ATOM 0 HA GLU A 7 5.298 -12.257 -6.334 1.00 10.00 H new ATOM 0 HB2 GLU A 7 4.892 -15.051 -5.242 1.00 10.00 H new ATOM 0 HB3 GLU A 7 5.779 -14.746 -6.722 1.00 10.00 H new ATOM 0 HG2 GLU A 7 7.483 -13.515 -5.605 1.00 10.00 H new ATOM 0 HG3 GLU A 7 6.476 -13.203 -4.205 1.00 10.00 H new ATOM 105 N ASN A 8 2.775 -12.312 -7.377 1.00 10.00 N ATOM 106 CA ASN A 8 1.766 -12.408 -8.419 1.00 10.00 C ATOM 107 C ASN A 8 2.417 -12.907 -9.710 1.00 10.00 C ATOM 108 O ASN A 8 3.638 -13.034 -9.785 1.00 10.00 O ATOM 109 CB ASN A 8 1.136 -11.043 -8.703 1.00 10.00 C ATOM 110 CG ASN A 8 0.528 -10.445 -7.432 1.00 10.00 C ATOM 111 OD1 ASN A 8 -0.065 -11.129 -6.615 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.706 -9.132 -7.314 1.00 10.00 N ATOM 0 H ASN A 8 2.765 -11.437 -6.853 1.00 10.00 H new ATOM 0 HA ASN A 8 0.994 -13.097 -8.078 1.00 10.00 H new ATOM 0 HB2 ASN A 8 1.891 -10.366 -9.103 1.00 10.00 H new ATOM 0 HB3 ASN A 8 0.364 -11.146 -9.466 1.00 10.00 H new ATOM 0 HD21 ASN A 8 0.336 -8.638 -6.502 1.00 10.00 H new ATOM 0 HD22 ASN A 8 1.213 -8.619 -8.036 1.00 10.00 H new ATOM 119 N LYS A 9 1.573 -13.176 -10.695 1.00 10.00 N ATOM 120 CA LYS A 9 2.051 -13.658 -11.980 1.00 10.00 C ATOM 121 C LYS A 9 2.361 -12.463 -12.885 1.00 10.00 C ATOM 122 O LYS A 9 3.365 -12.462 -13.594 1.00 10.00 O ATOM 123 CB LYS A 9 1.053 -14.647 -12.586 1.00 10.00 C ATOM 124 CG LYS A 9 1.736 -15.972 -12.931 1.00 10.00 C ATOM 125 CD LYS A 9 1.302 -16.469 -14.311 1.00 10.00 C ATOM 126 CE LYS A 9 2.413 -17.285 -14.975 1.00 10.00 C ATOM 127 NZ LYS A 9 2.945 -16.571 -16.157 1.00 10.00 N ATOM 0 H LYS A 9 0.561 -13.069 -10.629 1.00 10.00 H new ATOM 0 HA LYS A 9 2.980 -14.214 -11.857 1.00 10.00 H new ATOM 0 HB2 LYS A 9 0.239 -14.825 -11.883 1.00 10.00 H new ATOM 0 HB3 LYS A 9 0.610 -14.217 -13.484 1.00 10.00 H new ATOM 0 HG2 LYS A 9 2.818 -15.844 -12.911 1.00 10.00 H new ATOM 0 HG3 LYS A 9 1.489 -16.720 -12.177 1.00 10.00 H new ATOM 0 HD2 LYS A 9 0.405 -17.080 -14.216 1.00 10.00 H new ATOM 0 HD3 LYS A 9 1.043 -15.619 -14.943 1.00 10.00 H new ATOM 0 HE2 LYS A 9 3.216 -17.466 -14.260 1.00 10.00 H new ATOM 0 HE3 LYS A 9 2.027 -18.259 -15.275 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 3.698 -17.139 -16.596 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 2.180 -16.420 -16.845 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 3.332 -15.652 -15.862 1.00 10.00 H new ATOM 141 N LYS A 10 1.479 -11.476 -12.830 1.00 10.00 N ATOM 142 CA LYS A 10 1.644 -10.278 -13.635 1.00 10.00 C ATOM 143 C LYS A 10 2.372 -9.213 -12.813 1.00 10.00 C ATOM 144 O LYS A 10 1.903 -8.081 -12.705 1.00 10.00 O ATOM 145 CB LYS A 10 0.296 -9.814 -14.189 1.00 10.00 C ATOM 146 CG LYS A 10 -0.394 -10.937 -14.966 1.00 10.00 C ATOM 147 CD LYS A 10 -1.723 -10.459 -15.556 1.00 10.00 C ATOM 148 CE LYS A 10 -2.579 -11.644 -16.007 1.00 10.00 C ATOM 149 NZ LYS A 10 -3.998 -11.425 -15.645 1.00 10.00 N ATOM 0 H LYS A 10 0.647 -11.482 -12.240 1.00 10.00 H new ATOM 0 HA LYS A 10 2.264 -10.487 -14.507 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.345 -9.487 -13.370 1.00 10.00 H new ATOM 0 HB3 LYS A 10 0.444 -8.953 -14.841 1.00 10.00 H new ATOM 0 HG2 LYS A 10 0.259 -11.285 -15.766 1.00 10.00 H new ATOM 0 HG3 LYS A 10 -0.570 -11.786 -14.306 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -2.266 -9.875 -14.813 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -1.533 -9.800 -16.403 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -2.489 -11.776 -17.085 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -2.216 -12.561 -15.542 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -4.566 -12.238 -15.958 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -4.081 -11.321 -14.614 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -4.345 -10.561 -16.109 1.00 10.00 H new ATOM 163 N GLY A 11 3.506 -9.613 -12.256 1.00 10.00 N ATOM 164 CA GLY A 11 4.302 -8.706 -11.447 1.00 10.00 C ATOM 165 C GLY A 11 4.377 -9.188 -9.996 1.00 10.00 C ATOM 166 O GLY A 11 4.474 -10.387 -9.741 1.00 10.00 O ATOM 0 H GLY A 11 3.892 -10.553 -12.349 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.307 -8.630 -11.861 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.868 -7.707 -11.480 1.00 10.00 H new ATOM 170 N ASN A 12 4.328 -8.227 -9.085 1.00 10.00 N ATOM 171 CA ASN A 12 4.389 -8.538 -7.667 1.00 10.00 C ATOM 172 C ASN A 12 4.418 -7.236 -6.864 1.00 10.00 C ATOM 173 O ASN A 12 5.180 -6.324 -7.181 1.00 10.00 O ATOM 174 CB ASN A 12 5.655 -9.329 -7.330 1.00 10.00 C ATOM 175 CG ASN A 12 6.902 -8.620 -7.860 1.00 10.00 C ATOM 176 OD1 ASN A 12 7.098 -8.462 -9.054 1.00 10.00 O ATOM 177 ND2 ASN A 12 7.733 -8.203 -6.909 1.00 10.00 N ATOM 0 H ASN A 12 4.247 -7.233 -9.301 1.00 10.00 H new ATOM 0 HA ASN A 12 3.513 -9.135 -7.415 1.00 10.00 H new ATOM 0 HB2 ASN A 12 5.734 -9.453 -6.250 1.00 10.00 H new ATOM 0 HB3 ASN A 12 5.589 -10.328 -7.761 1.00 10.00 H new ATOM 0 HD21 ASN A 12 8.595 -7.719 -7.161 1.00 10.00 H new ATOM 0 HD22 ASN A 12 7.509 -8.368 -5.928 1.00 10.00 H new ATOM 184 N VAL A 13 3.578 -7.191 -5.841 1.00 10.00 N ATOM 185 CA VAL A 13 3.498 -6.014 -4.991 1.00 10.00 C ATOM 186 C VAL A 13 3.875 -6.399 -3.558 1.00 10.00 C ATOM 187 O VAL A 13 3.124 -7.100 -2.882 1.00 10.00 O ATOM 188 CB VAL A 13 2.107 -5.388 -5.094 1.00 10.00 C ATOM 189 CG1 VAL A 13 1.021 -6.397 -4.715 1.00 10.00 C ATOM 190 CG2 VAL A 13 2.007 -4.127 -4.233 1.00 10.00 C ATOM 0 H VAL A 13 2.947 -7.949 -5.581 1.00 10.00 H new ATOM 0 HA VAL A 13 4.207 -5.255 -5.322 1.00 10.00 H new ATOM 0 HB VAL A 13 1.948 -5.098 -6.133 1.00 10.00 H new ATOM 0 HG11 VAL A 13 0.042 -5.925 -4.797 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.069 -7.253 -5.388 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.178 -6.732 -3.690 1.00 10.00 H new ATOM 0 HG21 VAL A 13 1.007 -3.702 -4.325 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.199 -4.382 -3.191 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.744 -3.397 -4.569 1.00 10.00 H new ATOM 200 N THR A 14 5.039 -5.925 -3.138 1.00 10.00 N ATOM 201 CA THR A 14 5.525 -6.210 -1.799 1.00 10.00 C ATOM 202 C THR A 14 5.394 -4.973 -0.909 1.00 10.00 C ATOM 203 O THR A 14 5.929 -3.913 -1.232 1.00 10.00 O ATOM 204 CB THR A 14 6.961 -6.726 -1.917 1.00 10.00 C ATOM 205 OG1 THR A 14 6.810 -8.099 -2.267 1.00 10.00 O ATOM 206 CG2 THR A 14 7.682 -6.761 -0.569 1.00 10.00 C ATOM 0 H THR A 14 5.660 -5.345 -3.702 1.00 10.00 H new ATOM 0 HA THR A 14 4.926 -6.982 -1.317 1.00 10.00 H new ATOM 0 HB THR A 14 7.518 -6.095 -2.610 1.00 10.00 H new ATOM 0 HG1 THR A 14 7.371 -8.302 -3.045 1.00 10.00 H new ATOM 0 HG21 THR A 14 8.696 -7.135 -0.709 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.720 -5.755 -0.150 1.00 10.00 H new ATOM 0 HG23 THR A 14 7.144 -7.418 0.114 1.00 10.00 H new ATOM 214 N PHE A 15 4.680 -5.149 0.192 1.00 10.00 N ATOM 215 CA PHE A 15 4.472 -4.060 1.132 1.00 10.00 C ATOM 216 C PHE A 15 5.615 -3.985 2.146 1.00 10.00 C ATOM 217 O PHE A 15 6.599 -4.714 2.033 1.00 10.00 O ATOM 218 CB PHE A 15 3.166 -4.352 1.873 1.00 10.00 C ATOM 219 CG PHE A 15 1.956 -4.531 0.954 1.00 10.00 C ATOM 220 CD1 PHE A 15 1.950 -3.963 -0.282 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.886 -5.259 1.374 1.00 10.00 C ATOM 222 CE1 PHE A 15 0.827 -4.131 -1.134 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.238 -5.426 0.521 1.00 10.00 C ATOM 224 CZ PHE A 15 -0.243 -4.858 -0.715 1.00 10.00 C ATOM 0 H PHE A 15 4.238 -6.030 0.455 1.00 10.00 H new ATOM 0 HA PHE A 15 4.433 -3.110 0.599 1.00 10.00 H new ATOM 0 HB2 PHE A 15 3.293 -5.255 2.470 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.964 -3.537 2.568 1.00 10.00 H new ATOM 0 HD1 PHE A 15 2.799 -3.385 -0.615 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.891 -5.710 2.355 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.822 -3.681 -2.116 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.088 -6.004 0.854 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.097 -4.984 -1.364 1.00 10.00 H new ATOM 234 N ASP A 16 5.446 -3.097 3.115 1.00 10.00 N ATOM 235 CA ASP A 16 6.451 -2.917 4.149 1.00 10.00 C ATOM 236 C ASP A 16 5.785 -2.365 5.410 1.00 10.00 C ATOM 237 O ASP A 16 6.341 -1.494 6.080 1.00 10.00 O ATOM 238 CB ASP A 16 7.525 -1.922 3.706 1.00 10.00 C ATOM 239 CG ASP A 16 7.583 -1.660 2.200 1.00 10.00 C ATOM 240 OD1 ASP A 16 6.597 -1.089 1.685 1.00 10.00 O ATOM 241 OD2 ASP A 16 8.610 -2.037 1.597 1.00 10.00 O ATOM 0 H ASP A 16 4.628 -2.494 3.206 1.00 10.00 H new ATOM 0 HA ASP A 16 6.914 -3.885 4.341 1.00 10.00 H new ATOM 0 HB2 ASP A 16 7.355 -0.975 4.218 1.00 10.00 H new ATOM 0 HB3 ASP A 16 8.497 -2.291 4.033 1.00 10.00 H new ATOM 246 N HIS A 17 4.605 -2.893 5.698 1.00 10.00 N ATOM 247 CA HIS A 17 3.857 -2.463 6.868 1.00 10.00 C ATOM 248 C HIS A 17 4.829 -2.124 8.001 1.00 10.00 C ATOM 249 O HIS A 17 4.753 -1.044 8.586 1.00 10.00 O ATOM 250 CB HIS A 17 2.823 -3.517 7.269 1.00 10.00 C ATOM 251 CG HIS A 17 2.014 -3.149 8.491 1.00 10.00 C ATOM 252 ND1 HIS A 17 2.594 -2.734 9.677 1.00 10.00 N ATOM 253 CD2 HIS A 17 0.666 -3.138 8.696 1.00 10.00 C ATOM 254 CE1 HIS A 17 1.628 -2.487 10.549 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.434 -2.739 9.940 1.00 10.00 N ATOM 0 H HIS A 17 4.148 -3.615 5.141 1.00 10.00 H new ATOM 0 HA HIS A 17 3.296 -1.558 6.634 1.00 10.00 H new ATOM 0 HB2 HIS A 17 2.144 -3.682 6.432 1.00 10.00 H new ATOM 0 HB3 HIS A 17 3.335 -4.461 7.455 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -0.086 -3.408 7.969 1.00 10.00 H new ATOM 0 HE1 HIS A 17 1.762 -2.146 11.565 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -0.485 -2.638 10.370 1.00 10.00 H new ATOM 263 N LYS A 18 5.718 -3.066 8.278 1.00 10.00 N ATOM 264 CA LYS A 18 6.702 -2.881 9.330 1.00 10.00 C ATOM 265 C LYS A 18 7.556 -1.653 9.013 1.00 10.00 C ATOM 266 O LYS A 18 7.351 -0.584 9.588 1.00 10.00 O ATOM 267 CB LYS A 18 7.516 -4.161 9.533 1.00 10.00 C ATOM 268 CG LYS A 18 8.622 -3.948 10.569 1.00 10.00 C ATOM 269 CD LYS A 18 8.309 -4.696 11.867 1.00 10.00 C ATOM 270 CE LYS A 18 9.507 -5.533 12.319 1.00 10.00 C ATOM 271 NZ LYS A 18 9.749 -5.350 13.767 1.00 10.00 N ATOM 0 H LYS A 18 5.777 -3.961 7.791 1.00 10.00 H new ATOM 0 HA LYS A 18 6.209 -2.689 10.283 1.00 10.00 H new ATOM 0 HB2 LYS A 18 6.858 -4.967 9.858 1.00 10.00 H new ATOM 0 HB3 LYS A 18 7.955 -4.471 8.585 1.00 10.00 H new ATOM 0 HG2 LYS A 18 9.574 -4.294 10.166 1.00 10.00 H new ATOM 0 HG3 LYS A 18 8.731 -2.883 10.776 1.00 10.00 H new ATOM 0 HD2 LYS A 18 8.044 -3.983 12.647 1.00 10.00 H new ATOM 0 HD3 LYS A 18 7.444 -5.343 11.719 1.00 10.00 H new ATOM 0 HE2 LYS A 18 9.324 -6.586 12.105 1.00 10.00 H new ATOM 0 HE3 LYS A 18 10.394 -5.243 11.756 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 10.565 -5.925 14.058 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 9.944 -4.347 13.962 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 8.908 -5.649 14.300 1.00 10.00 H new ATOM 285 N ALA A 19 8.496 -1.845 8.100 1.00 10.00 N ATOM 286 CA ALA A 19 9.382 -0.765 7.700 1.00 10.00 C ATOM 287 C ALA A 19 8.583 0.536 7.601 1.00 10.00 C ATOM 288 O ALA A 19 9.014 1.574 8.099 1.00 10.00 O ATOM 289 CB ALA A 19 10.069 -1.129 6.381 1.00 10.00 C ATOM 0 H ALA A 19 8.664 -2.732 7.626 1.00 10.00 H new ATOM 0 HA ALA A 19 10.164 -0.616 8.445 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.734 -0.319 6.081 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.648 -2.043 6.512 1.00 10.00 H new ATOM 0 HB3 ALA A 19 9.315 -1.285 5.609 1.00 10.00 H new ATOM 295 N HIS A 20 7.430 0.436 6.953 1.00 10.00 N ATOM 296 CA HIS A 20 6.566 1.592 6.783 1.00 10.00 C ATOM 297 C HIS A 20 6.166 2.140 8.153 1.00 10.00 C ATOM 298 O HIS A 20 6.435 3.300 8.464 1.00 10.00 O ATOM 299 CB HIS A 20 5.361 1.244 5.908 1.00 10.00 C ATOM 300 CG HIS A 20 5.646 1.279 4.426 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.929 1.222 3.907 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.803 1.363 3.358 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.848 1.273 2.586 1.00 10.00 C ATOM 304 NE2 HIS A 20 5.530 1.360 2.247 1.00 10.00 N ATOM 0 H HIS A 20 7.075 -0.427 6.540 1.00 10.00 H new ATOM 0 HA HIS A 20 7.106 2.381 6.260 1.00 10.00 H new ATOM 0 HB2 HIS A 20 5.006 0.249 6.176 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.552 1.941 6.128 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.726 1.422 3.407 1.00 10.00 H new ATOM 0 HE1 HIS A 20 7.680 1.250 1.898 1.00 10.00 H new ATOM 0 HE2 HIS A 20 5.163 1.414 1.297 1.00 10.00 H new ATOM 312 N ALA A 21 5.529 1.282 8.936 1.00 10.00 N ATOM 313 CA ALA A 21 5.088 1.667 10.267 1.00 10.00 C ATOM 314 C ALA A 21 6.116 2.617 10.884 1.00 10.00 C ATOM 315 O ALA A 21 5.756 3.525 11.632 1.00 10.00 O ATOM 316 CB ALA A 21 4.872 0.412 11.115 1.00 10.00 C ATOM 0 H ALA A 21 5.307 0.321 8.675 1.00 10.00 H new ATOM 0 HA ALA A 21 4.136 2.196 10.219 1.00 10.00 H new ATOM 0 HB1 ALA A 21 4.541 0.700 12.113 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.113 -0.216 10.648 1.00 10.00 H new ATOM 0 HB3 ALA A 21 5.807 -0.143 11.189 1.00 10.00 H new ATOM 322 N GLU A 22 7.374 2.377 10.548 1.00 10.00 N ATOM 323 CA GLU A 22 8.456 3.200 11.061 1.00 10.00 C ATOM 324 C GLU A 22 8.294 4.646 10.585 1.00 10.00 C ATOM 325 O GLU A 22 8.222 5.566 11.397 1.00 10.00 O ATOM 326 CB GLU A 22 9.818 2.636 10.648 1.00 10.00 C ATOM 327 CG GLU A 22 9.891 1.132 10.915 1.00 10.00 C ATOM 328 CD GLU A 22 11.213 0.759 11.591 1.00 10.00 C ATOM 329 OE1 GLU A 22 11.498 1.357 12.650 1.00 10.00 O ATOM 330 OE2 GLU A 22 11.909 -0.116 11.031 1.00 10.00 O ATOM 0 H GLU A 22 7.669 1.624 9.926 1.00 10.00 H new ATOM 0 HA GLU A 22 8.410 3.189 12.150 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.990 2.830 9.589 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.609 3.146 11.198 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.057 0.830 11.548 1.00 10.00 H new ATOM 0 HG3 GLU A 22 9.792 0.587 9.976 1.00 10.00 H new ATOM 337 N LYS A 23 8.241 4.799 9.270 1.00 10.00 N ATOM 338 CA LYS A 23 8.090 6.116 8.676 1.00 10.00 C ATOM 339 C LYS A 23 6.624 6.545 8.765 1.00 10.00 C ATOM 340 O LYS A 23 6.322 7.648 9.220 1.00 10.00 O ATOM 341 CB LYS A 23 8.649 6.131 7.252 1.00 10.00 C ATOM 342 CG LYS A 23 10.142 6.464 7.251 1.00 10.00 C ATOM 343 CD LYS A 23 10.372 7.949 7.541 1.00 10.00 C ATOM 344 CE LYS A 23 11.866 8.269 7.609 1.00 10.00 C ATOM 345 NZ LYS A 23 12.153 9.165 8.751 1.00 10.00 N ATOM 0 H LYS A 23 8.300 4.033 8.599 1.00 10.00 H new ATOM 0 HA LYS A 23 8.673 6.852 9.229 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.490 5.159 6.785 1.00 10.00 H new ATOM 0 HB3 LYS A 23 8.109 6.865 6.654 1.00 10.00 H new ATOM 0 HG2 LYS A 23 10.654 5.860 8.000 1.00 10.00 H new ATOM 0 HG3 LYS A 23 10.575 6.207 6.284 1.00 10.00 H new ATOM 0 HD2 LYS A 23 9.902 8.552 6.764 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.896 8.217 8.484 1.00 10.00 H new ATOM 0 HE2 LYS A 23 12.437 7.346 7.711 1.00 10.00 H new ATOM 0 HE3 LYS A 23 12.185 8.741 6.680 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 13.172 9.372 8.782 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 11.623 10.052 8.638 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 11.867 8.701 9.637 1.00 10.00 H new ATOM 359 N LEU A 24 5.751 5.651 8.323 1.00 10.00 N ATOM 360 CA LEU A 24 4.324 5.923 8.347 1.00 10.00 C ATOM 361 C LEU A 24 3.891 6.228 9.783 1.00 10.00 C ATOM 362 O LEU A 24 4.261 7.260 10.341 1.00 10.00 O ATOM 363 CB LEU A 24 3.548 4.773 7.702 1.00 10.00 C ATOM 364 CG LEU A 24 3.590 4.710 6.174 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.968 4.260 5.681 1.00 10.00 C ATOM 366 CD2 LEU A 24 2.470 3.822 5.631 1.00 10.00 C ATOM 0 H LEU A 24 6.005 4.738 7.946 1.00 10.00 H new ATOM 0 HA LEU A 24 4.095 6.806 7.750 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.936 3.833 8.095 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.506 4.844 8.015 1.00 10.00 H new ATOM 0 HG LEU A 24 3.421 5.715 5.786 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.971 4.224 4.592 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.725 4.966 6.022 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.191 3.269 6.078 1.00 10.00 H new ATOM 0 HD21 LEU A 24 2.523 3.795 4.543 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.583 2.812 6.025 1.00 10.00 H new ATOM 0 HD23 LEU A 24 1.505 4.225 5.937 1.00 10.00 H new ATOM 378 N GLY A 25 3.115 5.310 10.340 1.00 10.00 N ATOM 379 CA GLY A 25 2.628 5.468 11.700 1.00 10.00 C ATOM 380 C GLY A 25 1.170 5.018 11.816 1.00 10.00 C ATOM 381 O GLY A 25 0.370 5.663 12.493 1.00 10.00 O ATOM 0 H GLY A 25 2.812 4.455 9.875 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.247 4.885 12.382 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.715 6.512 12.003 1.00 10.00 H new ATOM 385 N CYS A 26 0.868 3.916 11.145 1.00 10.00 N ATOM 386 CA CYS A 26 -0.479 3.373 11.164 1.00 10.00 C ATOM 387 C CYS A 26 -1.423 4.410 10.552 1.00 10.00 C ATOM 388 O CYS A 26 -1.818 4.287 9.392 1.00 10.00 O ATOM 389 CB CYS A 26 -0.909 2.976 12.578 1.00 10.00 C ATOM 390 SG CYS A 26 0.455 2.869 13.793 1.00 10.00 S ATOM 0 H CYS A 26 1.534 3.384 10.584 1.00 10.00 H new ATOM 0 HA CYS A 26 -0.513 2.457 10.574 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -1.641 3.700 12.937 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -1.412 2.010 12.532 1.00 10.00 H new ATOM 0 HG CYS A 26 -0.023 2.529 14.953 1.00 10.00 H new ATOM 395 N ASP A 27 -1.759 5.408 11.356 1.00 10.00 N ATOM 396 CA ASP A 27 -2.649 6.465 10.908 1.00 10.00 C ATOM 397 C ASP A 27 -2.459 6.681 9.404 1.00 10.00 C ATOM 398 O ASP A 27 -3.429 6.880 8.675 1.00 10.00 O ATOM 399 CB ASP A 27 -2.339 7.784 11.617 1.00 10.00 C ATOM 400 CG ASP A 27 -2.636 7.795 13.118 1.00 10.00 C ATOM 401 OD1 ASP A 27 -2.233 6.817 13.784 1.00 10.00 O ATOM 402 OD2 ASP A 27 -3.259 8.782 13.567 1.00 10.00 O ATOM 0 H ASP A 27 -1.430 5.507 12.316 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.672 6.165 11.137 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.285 8.020 11.468 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -2.914 8.579 11.142 1.00 10.00 H new ATOM 407 N ALA A 28 -1.203 6.634 8.986 1.00 10.00 N ATOM 408 CA ALA A 28 -0.874 6.822 7.583 1.00 10.00 C ATOM 409 C ALA A 28 -1.912 6.102 6.720 1.00 10.00 C ATOM 410 O ALA A 28 -2.569 6.722 5.886 1.00 10.00 O ATOM 411 CB ALA A 28 0.549 6.324 7.322 1.00 10.00 C ATOM 0 H ALA A 28 -0.401 6.469 9.594 1.00 10.00 H new ATOM 0 HA ALA A 28 -0.903 7.879 7.319 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.796 6.465 6.270 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.250 6.887 7.938 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.615 5.265 7.572 1.00 10.00 H new ATOM 417 N CYS A 29 -2.026 4.802 6.948 1.00 10.00 N ATOM 418 CA CYS A 29 -2.971 3.991 6.201 1.00 10.00 C ATOM 419 C CYS A 29 -4.265 3.892 7.013 1.00 10.00 C ATOM 420 O CYS A 29 -5.355 4.084 6.476 1.00 10.00 O ATOM 421 CB CYS A 29 -2.397 2.611 5.873 1.00 10.00 C ATOM 422 SG CYS A 29 -0.572 2.501 5.951 1.00 10.00 S ATOM 0 H CYS A 29 -1.479 4.290 7.640 1.00 10.00 H new ATOM 0 HA CYS A 29 -3.180 4.463 5.241 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.821 1.883 6.565 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -2.722 2.326 4.872 1.00 10.00 H new ATOM 0 HG CYS A 29 -0.197 1.291 5.658 1.00 10.00 H new ATOM 427 N HIS A 30 -4.101 3.591 8.292 1.00 10.00 N ATOM 428 CA HIS A 30 -5.243 3.463 9.183 1.00 10.00 C ATOM 429 C HIS A 30 -5.734 4.855 9.590 1.00 10.00 C ATOM 430 O HIS A 30 -5.522 5.828 8.868 1.00 10.00 O ATOM 431 CB HIS A 30 -4.898 2.581 10.384 1.00 10.00 C ATOM 432 CG HIS A 30 -4.243 1.272 10.017 1.00 10.00 C ATOM 433 ND1 HIS A 30 -2.962 0.836 10.191 1.00 10.00 N flip ATOM 434 CD2 HIS A 30 -4.924 0.241 9.393 1.00 10.00 C flip ATOM 435 CE1 HIS A 30 -2.865 -0.392 9.702 1.00 10.00 C flip ATOM 436 NE2 HIS A 30 -4.081 -0.764 9.206 1.00 10.00 N flip ATOM 0 H HIS A 30 -3.195 3.432 8.733 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.061 2.965 8.663 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -4.234 3.134 11.049 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.810 2.375 10.944 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -5.965 0.254 9.107 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -1.971 -0.998 9.697 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -4.302 -1.658 8.768 1.00 10.00 H new ATOM 444 N GLU A 31 -6.379 4.904 10.746 1.00 10.00 N ATOM 445 CA GLU A 31 -6.902 6.159 11.258 1.00 10.00 C ATOM 446 C GLU A 31 -7.571 5.941 12.617 1.00 10.00 C ATOM 447 O GLU A 31 -8.725 5.522 12.684 1.00 10.00 O ATOM 448 CB GLU A 31 -7.876 6.794 10.263 1.00 10.00 C ATOM 449 CG GLU A 31 -8.172 8.248 10.637 1.00 10.00 C ATOM 450 CD GLU A 31 -9.502 8.708 10.037 1.00 10.00 C ATOM 451 OE1 GLU A 31 -9.595 8.702 8.791 1.00 10.00 O ATOM 452 OE2 GLU A 31 -10.396 9.057 10.838 1.00 10.00 O ATOM 0 H GLU A 31 -6.551 4.095 11.343 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.069 6.849 11.392 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -7.454 6.752 9.259 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -8.805 6.224 10.243 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.204 8.349 11.722 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.367 8.890 10.281 1.00 10.00 H new ATOM 459 N GLY A 32 -6.817 6.236 13.666 1.00 10.00 N ATOM 460 CA GLY A 32 -7.322 6.078 15.018 1.00 10.00 C ATOM 461 C GLY A 32 -7.841 4.656 15.247 1.00 10.00 C ATOM 462 O GLY A 32 -8.993 4.355 14.937 1.00 10.00 O ATOM 0 H GLY A 32 -5.860 6.584 13.606 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -6.531 6.300 15.734 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -8.124 6.795 15.197 1.00 10.00 H new ATOM 466 N THR A 33 -6.966 3.821 15.787 1.00 10.00 N ATOM 467 CA THR A 33 -7.322 2.439 16.061 1.00 10.00 C ATOM 468 C THR A 33 -7.518 1.670 14.752 1.00 10.00 C ATOM 469 O THR A 33 -8.535 1.833 14.080 1.00 10.00 O ATOM 470 CB THR A 33 -8.561 2.438 16.958 1.00 10.00 C ATOM 471 OG1 THR A 33 -8.181 3.239 18.075 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.842 1.062 17.565 1.00 10.00 C ATOM 0 H THR A 33 -6.012 4.074 16.042 1.00 10.00 H new ATOM 0 HA THR A 33 -6.521 1.921 16.589 1.00 10.00 H new ATOM 0 HB THR A 33 -9.427 2.765 16.382 1.00 10.00 H new ATOM 0 HG1 THR A 33 -8.928 3.293 18.708 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.731 1.116 18.193 1.00 10.00 H new ATOM 0 HG22 THR A 33 -9.005 0.338 16.766 1.00 10.00 H new ATOM 0 HG23 THR A 33 -7.990 0.750 18.169 1.00 10.00 H new ATOM 480 N PRO A 34 -6.504 0.826 14.423 1.00 10.00 N ATOM 481 CA PRO A 34 -6.555 0.032 13.208 1.00 10.00 C ATOM 482 C PRO A 34 -7.526 -1.140 13.360 1.00 10.00 C ATOM 483 O PRO A 34 -8.355 -1.151 14.270 1.00 10.00 O ATOM 484 CB PRO A 34 -5.122 -0.412 12.967 1.00 10.00 C ATOM 485 CG PRO A 34 -4.404 -0.243 14.296 1.00 10.00 C ATOM 486 CD PRO A 34 -5.285 0.608 15.197 1.00 10.00 C ATOM 0 HA PRO A 34 -6.932 0.594 12.354 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -5.085 -1.449 12.632 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.652 0.191 12.190 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -4.215 -1.214 14.754 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -3.435 0.234 14.148 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -5.498 0.100 16.137 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.801 1.552 15.448 1.00 10.00 H new ATOM 494 N ALA A 35 -7.393 -2.099 12.456 1.00 10.00 N ATOM 495 CA ALA A 35 -8.249 -3.274 12.478 1.00 10.00 C ATOM 496 C ALA A 35 -7.915 -4.165 11.280 1.00 10.00 C ATOM 497 O ALA A 35 -7.667 -5.358 11.440 1.00 10.00 O ATOM 498 CB ALA A 35 -9.715 -2.837 12.490 1.00 10.00 C ATOM 0 H ALA A 35 -6.705 -2.087 11.703 1.00 10.00 H new ATOM 0 HA ALA A 35 -8.076 -3.859 13.382 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -10.357 -3.718 12.506 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -9.907 -2.231 13.376 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.927 -2.250 11.596 1.00 10.00 H new ATOM 504 N LYS A 36 -7.922 -3.551 10.106 1.00 10.00 N ATOM 505 CA LYS A 36 -7.623 -4.273 8.881 1.00 10.00 C ATOM 506 C LYS A 36 -7.675 -3.306 7.698 1.00 10.00 C ATOM 507 O LYS A 36 -7.864 -2.104 7.882 1.00 10.00 O ATOM 508 CB LYS A 36 -8.555 -5.479 8.730 1.00 10.00 C ATOM 509 CG LYS A 36 -9.885 -5.068 8.095 1.00 10.00 C ATOM 510 CD LYS A 36 -10.043 -5.689 6.706 1.00 10.00 C ATOM 511 CE LYS A 36 -10.599 -7.112 6.801 1.00 10.00 C ATOM 512 NZ LYS A 36 -12.066 -7.108 6.614 1.00 10.00 N ATOM 0 H LYS A 36 -8.130 -2.561 9.977 1.00 10.00 H new ATOM 0 HA LYS A 36 -6.613 -4.680 8.916 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -8.074 -6.240 8.115 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -8.737 -5.927 9.707 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -10.710 -5.383 8.734 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.936 -3.982 8.020 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -10.710 -5.074 6.102 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -9.078 -5.705 6.199 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -10.132 -7.743 6.045 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.351 -7.542 7.772 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -12.427 -8.081 6.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -12.508 -6.523 7.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -12.296 -6.718 5.678 1.00 10.00 H new ATOM 526 N ILE A 37 -7.501 -3.864 6.509 1.00 10.00 N ATOM 527 CA ILE A 37 -7.525 -3.066 5.296 1.00 10.00 C ATOM 528 C ILE A 37 -7.962 -3.943 4.121 1.00 10.00 C ATOM 529 O ILE A 37 -7.645 -5.131 4.077 1.00 10.00 O ATOM 530 CB ILE A 37 -6.175 -2.377 5.081 1.00 10.00 C ATOM 531 CG1 ILE A 37 -5.810 -1.499 6.280 1.00 10.00 C ATOM 532 CG2 ILE A 37 -6.164 -1.590 3.769 1.00 10.00 C ATOM 533 CD1 ILE A 37 -4.532 -0.706 6.009 1.00 10.00 C ATOM 0 H ILE A 37 -7.343 -4.861 6.360 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.257 -2.263 5.383 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.407 -3.147 5.001 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -6.629 -0.813 6.496 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -5.675 -2.122 7.164 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.194 -1.110 3.641 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.346 -2.269 2.936 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -6.944 -0.829 3.794 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.295 -0.090 6.877 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.710 -1.395 5.818 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -4.679 -0.066 5.139 1.00 10.00 H new ATOM 545 N ALA A 38 -8.683 -3.324 3.197 1.00 10.00 N ATOM 546 CA ALA A 38 -9.167 -4.034 2.026 1.00 10.00 C ATOM 547 C ALA A 38 -8.117 -3.951 0.916 1.00 10.00 C ATOM 548 O ALA A 38 -8.076 -2.977 0.166 1.00 10.00 O ATOM 549 CB ALA A 38 -10.516 -3.453 1.597 1.00 10.00 C ATOM 0 H ALA A 38 -8.943 -2.339 3.236 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.324 -5.088 2.254 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -10.879 -3.986 0.718 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.234 -3.562 2.410 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -10.397 -2.396 1.357 1.00 10.00 H new ATOM 555 N ILE A 39 -7.295 -4.988 0.845 1.00 10.00 N ATOM 556 CA ILE A 39 -6.248 -5.044 -0.161 1.00 10.00 C ATOM 557 C ILE A 39 -6.545 -6.187 -1.136 1.00 10.00 C ATOM 558 O ILE A 39 -6.356 -7.356 -0.803 1.00 10.00 O ATOM 559 CB ILE A 39 -4.873 -5.144 0.502 1.00 10.00 C ATOM 560 CG1 ILE A 39 -4.548 -3.870 1.284 1.00 10.00 C ATOM 561 CG2 ILE A 39 -3.790 -5.476 -0.528 1.00 10.00 C ATOM 562 CD1 ILE A 39 -4.159 -2.730 0.340 1.00 10.00 C ATOM 0 H ILE A 39 -7.333 -5.795 1.467 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.229 -4.123 -0.744 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.898 -5.965 1.219 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.412 -3.575 1.880 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.732 -4.065 1.980 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.822 -5.541 -0.030 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -4.019 -6.430 -1.002 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -3.756 -4.693 -1.286 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -3.933 -1.837 0.922 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -3.280 -3.019 -0.237 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -4.986 -2.521 -0.339 1.00 10.00 H new ATOM 574 N ASP A 40 -7.003 -5.808 -2.320 1.00 10.00 N ATOM 575 CA ASP A 40 -7.327 -6.785 -3.345 1.00 10.00 C ATOM 576 C ASP A 40 -7.484 -6.073 -4.690 1.00 10.00 C ATOM 577 O ASP A 40 -7.537 -4.846 -4.745 1.00 10.00 O ATOM 578 CB ASP A 40 -8.644 -7.497 -3.030 1.00 10.00 C ATOM 579 CG ASP A 40 -9.762 -6.590 -2.513 1.00 10.00 C ATOM 580 OD1 ASP A 40 -10.315 -5.839 -3.347 1.00 10.00 O ATOM 581 OD2 ASP A 40 -10.041 -6.667 -1.297 1.00 10.00 O ATOM 0 H ASP A 40 -7.157 -4.837 -2.592 1.00 10.00 H new ATOM 0 HA ASP A 40 -6.521 -7.518 -3.380 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -8.993 -8.000 -3.932 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -8.452 -8.271 -2.287 1.00 10.00 H new ATOM 586 N LYS A 41 -7.555 -6.876 -5.742 1.00 10.00 N ATOM 587 CA LYS A 41 -7.707 -6.339 -7.084 1.00 10.00 C ATOM 588 C LYS A 41 -9.100 -5.722 -7.228 1.00 10.00 C ATOM 589 O LYS A 41 -9.922 -6.213 -8.000 1.00 10.00 O ATOM 590 CB LYS A 41 -7.397 -7.411 -8.129 1.00 10.00 C ATOM 591 CG LYS A 41 -7.658 -6.891 -9.543 1.00 10.00 C ATOM 592 CD LYS A 41 -8.821 -7.640 -10.199 1.00 10.00 C ATOM 593 CE LYS A 41 -8.337 -8.930 -10.863 1.00 10.00 C ATOM 594 NZ LYS A 41 -9.443 -9.910 -10.958 1.00 10.00 N ATOM 0 H LYS A 41 -7.510 -7.894 -5.692 1.00 10.00 H new ATOM 0 HA LYS A 41 -6.986 -5.541 -7.258 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -6.356 -7.722 -8.038 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -8.010 -8.293 -7.943 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -7.882 -5.825 -9.506 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -6.759 -7.007 -10.148 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -9.577 -7.874 -9.449 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -9.297 -7.001 -10.942 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -7.951 -8.711 -11.858 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -7.514 -9.356 -10.288 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -9.098 -10.780 -11.411 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -9.793 -10.132 -10.004 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -10.216 -9.507 -11.526 1.00 10.00 H new ATOM 608 N LYS A 42 -9.321 -4.655 -6.474 1.00 10.00 N ATOM 609 CA LYS A 42 -10.601 -3.967 -6.509 1.00 10.00 C ATOM 610 C LYS A 42 -10.527 -2.718 -5.628 1.00 10.00 C ATOM 611 O LYS A 42 -11.044 -1.664 -5.994 1.00 10.00 O ATOM 612 CB LYS A 42 -11.733 -4.923 -6.127 1.00 10.00 C ATOM 613 CG LYS A 42 -13.091 -4.223 -6.210 1.00 10.00 C ATOM 614 CD LYS A 42 -14.012 -4.928 -7.208 1.00 10.00 C ATOM 615 CE LYS A 42 -15.362 -4.216 -7.306 1.00 10.00 C ATOM 616 NZ LYS A 42 -16.386 -4.936 -6.517 1.00 10.00 N ATOM 0 H LYS A 42 -8.636 -4.250 -5.836 1.00 10.00 H new ATOM 0 HA LYS A 42 -10.826 -3.631 -7.521 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.724 -5.787 -6.791 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.573 -5.296 -5.115 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -13.558 -4.210 -5.225 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -12.951 -3.184 -6.510 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -13.539 -4.954 -8.189 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -14.164 -5.962 -6.900 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -15.267 -3.193 -6.942 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -15.673 -4.156 -8.349 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -17.296 -4.439 -6.594 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -16.488 -5.905 -6.882 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -16.094 -4.971 -5.519 1.00 10.00 H new ATOM 630 N SER A 43 -9.881 -2.879 -4.483 1.00 10.00 N ATOM 631 CA SER A 43 -9.733 -1.778 -3.546 1.00 10.00 C ATOM 632 C SER A 43 -8.265 -1.354 -3.464 1.00 10.00 C ATOM 633 O SER A 43 -7.962 -0.165 -3.382 1.00 10.00 O ATOM 634 CB SER A 43 -10.253 -2.160 -2.159 1.00 10.00 C ATOM 635 OG SER A 43 -10.998 -1.104 -1.558 1.00 10.00 O ATOM 0 H SER A 43 -9.454 -3.755 -4.182 1.00 10.00 H new ATOM 0 HA SER A 43 -10.327 -0.939 -3.908 1.00 10.00 H new ATOM 0 HB2 SER A 43 -10.882 -3.047 -2.239 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.413 -2.422 -1.516 1.00 10.00 H new ATOM 0 HG SER A 43 -11.314 -1.388 -0.675 1.00 10.00 H new ATOM 641 N ALA A 44 -7.392 -2.350 -3.489 1.00 10.00 N ATOM 642 CA ALA A 44 -5.963 -2.096 -3.418 1.00 10.00 C ATOM 643 C ALA A 44 -5.556 -1.177 -4.571 1.00 10.00 C ATOM 644 O ALA A 44 -4.482 -0.576 -4.542 1.00 10.00 O ATOM 645 CB ALA A 44 -5.206 -3.426 -3.437 1.00 10.00 C ATOM 0 H ALA A 44 -7.647 -3.335 -3.557 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.709 -1.590 -2.487 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.134 -3.235 -3.384 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.510 -4.030 -2.582 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.434 -3.961 -4.359 1.00 10.00 H new ATOM 651 N HIS A 45 -6.434 -1.095 -5.560 1.00 10.00 N ATOM 652 CA HIS A 45 -6.180 -0.259 -6.720 1.00 10.00 C ATOM 653 C HIS A 45 -6.840 1.107 -6.523 1.00 10.00 C ATOM 654 O HIS A 45 -6.729 1.984 -7.379 1.00 10.00 O ATOM 655 CB HIS A 45 -6.634 -0.958 -8.003 1.00 10.00 C ATOM 656 CG HIS A 45 -5.637 -1.953 -8.546 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.850 -2.669 -9.711 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.418 -2.343 -8.072 1.00 10.00 C ATOM 659 CE1 HIS A 45 -4.802 -3.452 -9.920 1.00 10.00 C ATOM 660 NE2 HIS A 45 -3.916 -3.248 -8.903 1.00 10.00 N ATOM 0 H HIS A 45 -7.323 -1.595 -5.581 1.00 10.00 H new ATOM 0 HA HIS A 45 -5.108 -0.093 -6.826 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.576 -1.471 -7.811 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.831 -0.204 -8.765 1.00 10.00 H new ATOM 0 HD1 HIS A 45 -6.675 -2.605 -10.308 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -3.943 -1.977 -7.174 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -4.672 -4.132 -10.749 1.00 10.00 H new ATOM 668 N LYS A 46 -7.514 1.245 -5.391 1.00 10.00 N ATOM 669 CA LYS A 46 -8.192 2.490 -5.070 1.00 10.00 C ATOM 670 C LYS A 46 -7.419 3.219 -3.970 1.00 10.00 C ATOM 671 O LYS A 46 -6.260 2.901 -3.705 1.00 10.00 O ATOM 672 CB LYS A 46 -9.659 2.226 -4.722 1.00 10.00 C ATOM 673 CG LYS A 46 -10.586 2.743 -5.824 1.00 10.00 C ATOM 674 CD LYS A 46 -11.810 3.441 -5.228 1.00 10.00 C ATOM 675 CE LYS A 46 -12.719 3.988 -6.329 1.00 10.00 C ATOM 676 NZ LYS A 46 -13.475 5.163 -5.841 1.00 10.00 N ATOM 0 H LYS A 46 -7.605 0.515 -4.684 1.00 10.00 H new ATOM 0 HA LYS A 46 -8.208 3.150 -5.937 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.816 1.157 -4.582 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.905 2.711 -3.777 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.043 3.438 -6.465 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -10.907 1.913 -6.453 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.367 2.739 -4.607 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.488 4.255 -4.579 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -12.121 4.267 -7.197 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -13.412 3.212 -6.656 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.087 5.522 -6.601 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -14.060 4.886 -5.027 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -12.810 5.908 -5.551 1.00 10.00 H new ATOM 690 N ASP A 47 -8.092 4.182 -3.358 1.00 10.00 N ATOM 691 CA ASP A 47 -7.482 4.959 -2.292 1.00 10.00 C ATOM 692 C ASP A 47 -6.688 4.025 -1.376 1.00 10.00 C ATOM 693 O ASP A 47 -5.715 4.443 -0.749 1.00 10.00 O ATOM 694 CB ASP A 47 -8.545 5.660 -1.444 1.00 10.00 C ATOM 695 CG ASP A 47 -9.857 4.889 -1.283 1.00 10.00 C ATOM 696 OD1 ASP A 47 -9.827 3.662 -1.523 1.00 10.00 O ATOM 697 OD2 ASP A 47 -10.859 5.543 -0.925 1.00 10.00 O ATOM 0 H ASP A 47 -9.053 4.442 -3.580 1.00 10.00 H new ATOM 0 HA ASP A 47 -6.833 5.707 -2.749 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -8.130 5.852 -0.454 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -8.764 6.630 -1.891 1.00 10.00 H new ATOM 702 N ALA A 48 -7.131 2.778 -1.328 1.00 10.00 N ATOM 703 CA ALA A 48 -6.475 1.781 -0.499 1.00 10.00 C ATOM 704 C ALA A 48 -4.962 2.013 -0.532 1.00 10.00 C ATOM 705 O ALA A 48 -4.350 2.283 0.500 1.00 10.00 O ATOM 706 CB ALA A 48 -6.861 0.381 -0.982 1.00 10.00 C ATOM 0 H ALA A 48 -7.937 2.435 -1.850 1.00 10.00 H new ATOM 0 HA ALA A 48 -6.800 1.869 0.538 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.369 -0.367 -0.360 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -7.942 0.257 -0.912 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.548 0.254 -2.018 1.00 10.00 H new ATOM 712 N CYS A 49 -4.406 1.900 -1.729 1.00 10.00 N ATOM 713 CA CYS A 49 -2.977 2.093 -1.910 1.00 10.00 C ATOM 714 C CYS A 49 -2.752 3.490 -2.493 1.00 10.00 C ATOM 715 O CYS A 49 -2.346 4.407 -1.780 1.00 10.00 O ATOM 716 CB CYS A 49 -2.364 1.002 -2.791 1.00 10.00 C ATOM 717 SG CYS A 49 -0.784 0.317 -2.175 1.00 10.00 S ATOM 0 H CYS A 49 -4.918 1.677 -2.582 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.473 2.015 -0.947 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.082 0.188 -2.890 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -2.203 1.409 -3.789 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.358 -0.597 -2.995 1.00 10.00 H new ATOM 722 N LYS A 50 -3.025 3.609 -3.784 1.00 10.00 N ATOM 723 CA LYS A 50 -2.856 4.878 -4.471 1.00 10.00 C ATOM 724 C LYS A 50 -3.502 5.991 -3.642 1.00 10.00 C ATOM 725 O LYS A 50 -4.706 6.222 -3.737 1.00 10.00 O ATOM 726 CB LYS A 50 -3.392 4.788 -5.901 1.00 10.00 C ATOM 727 CG LYS A 50 -4.916 4.658 -5.909 1.00 10.00 C ATOM 728 CD LYS A 50 -5.572 5.933 -6.443 1.00 10.00 C ATOM 729 CE LYS A 50 -7.032 6.027 -5.996 1.00 10.00 C ATOM 730 NZ LYS A 50 -7.282 7.311 -5.304 1.00 10.00 N ATOM 0 H LYS A 50 -3.362 2.847 -4.372 1.00 10.00 H new ATOM 0 HA LYS A 50 -1.798 5.122 -4.566 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -3.096 5.676 -6.460 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -2.948 3.930 -6.406 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -5.209 3.808 -6.526 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -5.273 4.457 -4.899 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -5.023 6.805 -6.088 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -5.520 5.945 -7.532 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -7.689 5.940 -6.861 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -7.269 5.197 -5.331 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -8.229 7.296 -4.875 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -6.568 7.450 -4.561 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -7.225 8.091 -5.989 1.00 10.00 H new ATOM 744 N THR A 51 -2.671 6.650 -2.848 1.00 10.00 N ATOM 745 CA THR A 51 -3.145 7.733 -2.002 1.00 10.00 C ATOM 746 C THR A 51 -1.967 8.440 -1.330 1.00 10.00 C ATOM 747 O THR A 51 -1.816 9.654 -1.451 1.00 10.00 O ATOM 748 CB THR A 51 -4.153 7.151 -1.008 1.00 10.00 C ATOM 749 OG1 THR A 51 -5.419 7.386 -1.619 1.00 10.00 O ATOM 750 CG2 THR A 51 -4.214 7.947 0.297 1.00 10.00 C ATOM 0 H THR A 51 -1.673 6.455 -2.772 1.00 10.00 H new ATOM 0 HA THR A 51 -3.651 8.500 -2.588 1.00 10.00 H new ATOM 0 HB THR A 51 -3.891 6.116 -0.789 1.00 10.00 H new ATOM 0 HG1 THR A 51 -5.335 7.294 -2.591 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.944 7.492 0.967 1.00 10.00 H new ATOM 0 HG22 THR A 51 -3.233 7.942 0.772 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.509 8.974 0.083 1.00 10.00 H new ATOM 758 N CYS A 52 -1.163 7.649 -0.634 1.00 10.00 N ATOM 759 CA CYS A 52 -0.003 8.185 0.058 1.00 10.00 C ATOM 760 C CYS A 52 1.152 8.280 -0.943 1.00 10.00 C ATOM 761 O CYS A 52 1.725 9.351 -1.134 1.00 10.00 O ATOM 762 CB CYS A 52 0.367 7.339 1.278 1.00 10.00 C ATOM 763 SG CYS A 52 2.143 7.363 1.718 1.00 10.00 S ATOM 0 H CYS A 52 -1.292 6.642 -0.535 1.00 10.00 H new ATOM 0 HA CYS A 52 -0.232 9.179 0.442 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -0.210 7.689 2.134 1.00 10.00 H new ATOM 0 HB3 CYS A 52 0.067 6.308 1.092 1.00 10.00 H new ATOM 0 HG CYS A 52 2.341 6.617 2.764 1.00 10.00 H new ATOM 768 N HIS A 53 1.458 7.145 -1.554 1.00 10.00 N ATOM 769 CA HIS A 53 2.533 7.087 -2.530 1.00 10.00 C ATOM 770 C HIS A 53 2.344 8.194 -3.567 1.00 10.00 C ATOM 771 O HIS A 53 3.309 8.642 -4.185 1.00 10.00 O ATOM 772 CB HIS A 53 2.623 5.695 -3.156 1.00 10.00 C ATOM 773 CG HIS A 53 3.655 4.797 -2.516 1.00 10.00 C ATOM 774 ND1 HIS A 53 4.939 4.658 -3.012 1.00 10.00 N ATOM 775 CD2 HIS A 53 3.579 3.997 -1.413 1.00 10.00 C ATOM 776 CE1 HIS A 53 5.598 3.809 -2.236 1.00 10.00 C ATOM 777 NE2 HIS A 53 4.752 3.400 -1.247 1.00 10.00 N ATOM 0 H HIS A 53 0.980 6.258 -1.392 1.00 10.00 H new ATOM 0 HA HIS A 53 3.489 7.261 -2.036 1.00 10.00 H new ATOM 0 HB2 HIS A 53 1.647 5.214 -3.089 1.00 10.00 H new ATOM 0 HB3 HIS A 53 2.855 5.799 -4.216 1.00 10.00 H new ATOM 0 HD2 HIS A 53 2.711 3.871 -0.782 1.00 10.00 H new ATOM 0 HE1 HIS A 53 6.624 3.496 -2.364 1.00 10.00 H new ATOM 0 HE2 HIS A 53 4.983 2.743 -0.502 1.00 10.00 H new ATOM 785 N LYS A 54 1.094 8.604 -3.728 1.00 10.00 N ATOM 786 CA LYS A 54 0.767 9.651 -4.681 1.00 10.00 C ATOM 787 C LYS A 54 1.644 10.875 -4.410 1.00 10.00 C ATOM 788 O LYS A 54 2.513 11.209 -5.213 1.00 10.00 O ATOM 789 CB LYS A 54 -0.733 9.950 -4.653 1.00 10.00 C ATOM 790 CG LYS A 54 -1.546 8.721 -5.064 1.00 10.00 C ATOM 791 CD LYS A 54 -3.046 9.023 -5.042 1.00 10.00 C ATOM 792 CE LYS A 54 -3.566 9.326 -6.449 1.00 10.00 C ATOM 793 NZ LYS A 54 -3.371 10.757 -6.776 1.00 10.00 N ATOM 0 H LYS A 54 0.296 8.230 -3.215 1.00 10.00 H new ATOM 0 HA LYS A 54 0.985 9.323 -5.697 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -1.026 10.266 -3.652 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -0.955 10.778 -5.326 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.250 8.403 -6.064 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -1.328 7.894 -4.388 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -3.586 8.172 -4.627 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -3.240 9.873 -4.388 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -3.044 8.706 -7.178 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -4.624 9.073 -6.515 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -3.931 11.000 -7.618 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -3.681 11.342 -5.974 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -2.364 10.936 -6.966 1.00 10.00 H new ATOM 807 N SER A 55 1.385 11.508 -3.275 1.00 10.00 N ATOM 808 CA SER A 55 2.140 12.688 -2.889 1.00 10.00 C ATOM 809 C SER A 55 3.500 12.276 -2.322 1.00 10.00 C ATOM 810 O SER A 55 3.839 12.628 -1.192 1.00 10.00 O ATOM 811 CB SER A 55 1.371 13.524 -1.865 1.00 10.00 C ATOM 812 OG SER A 55 0.648 14.588 -2.479 1.00 10.00 O ATOM 0 H SER A 55 0.664 11.226 -2.611 1.00 10.00 H new ATOM 0 HA SER A 55 2.293 13.301 -3.777 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.679 12.882 -1.320 1.00 10.00 H new ATOM 0 HB3 SER A 55 2.068 13.934 -1.134 1.00 10.00 H new ATOM 0 HG SER A 55 0.169 15.097 -1.792 1.00 10.00 H new ATOM 818 N ASN A 56 4.244 11.536 -3.132 1.00 10.00 N ATOM 819 CA ASN A 56 5.559 11.072 -2.725 1.00 10.00 C ATOM 820 C ASN A 56 6.152 10.199 -3.833 1.00 10.00 C ATOM 821 O ASN A 56 5.546 10.035 -4.890 1.00 10.00 O ATOM 822 CB ASN A 56 5.476 10.229 -1.451 1.00 10.00 C ATOM 823 CG ASN A 56 6.488 10.709 -0.408 1.00 10.00 C ATOM 824 OD1 ASN A 56 6.139 11.837 0.204 1.00 10.00 O flip ATOM 825 ND2 ASN A 56 7.517 10.097 -0.176 1.00 10.00 N flip ATOM 0 H ASN A 56 3.961 11.247 -4.068 1.00 10.00 H new ATOM 0 HA ASN A 56 6.182 11.946 -2.538 1.00 10.00 H new ATOM 0 HB2 ASN A 56 4.469 10.286 -1.038 1.00 10.00 H new ATOM 0 HB3 ASN A 56 5.664 9.182 -1.690 1.00 10.00 H new ATOM 0 HD21 ASN A 56 7.724 9.236 -0.683 1.00 10.00 H new ATOM 0 HD22 ASN A 56 8.171 10.446 0.525 1.00 10.00 H new ATOM 832 N ASN A 57 7.330 9.662 -3.552 1.00 10.00 N ATOM 833 CA ASN A 57 8.012 8.809 -4.510 1.00 10.00 C ATOM 834 C ASN A 57 7.153 7.574 -4.791 1.00 10.00 C ATOM 835 O ASN A 57 7.139 6.632 -4.000 1.00 10.00 O ATOM 836 CB ASN A 57 9.360 8.334 -3.965 1.00 10.00 C ATOM 837 CG ASN A 57 9.194 7.667 -2.598 1.00 10.00 C ATOM 838 OD1 ASN A 57 9.288 8.506 -1.571 1.00 10.00 O flip ATOM 839 ND2 ASN A 57 8.993 6.469 -2.484 1.00 10.00 N flip ATOM 0 H ASN A 57 7.830 9.801 -2.674 1.00 10.00 H new ATOM 0 HA ASN A 57 8.175 9.388 -5.419 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.812 7.631 -4.664 1.00 10.00 H new ATOM 0 HB3 ASN A 57 10.041 9.181 -3.880 1.00 10.00 H new ATOM 0 HD21 ASN A 57 8.932 5.881 -3.315 1.00 10.00 H new ATOM 0 HD22 ASN A 57 8.886 6.056 -1.558 1.00 10.00 H new ATOM 846 N GLY A 58 6.458 7.620 -5.917 1.00 10.00 N ATOM 847 CA GLY A 58 5.598 6.516 -6.311 1.00 10.00 C ATOM 848 C GLY A 58 4.832 6.849 -7.592 1.00 10.00 C ATOM 849 O GLY A 58 3.987 7.743 -7.600 1.00 10.00 O ATOM 0 H GLY A 58 6.472 8.404 -6.570 1.00 10.00 H new ATOM 0 HA2 GLY A 58 6.198 5.619 -6.465 1.00 10.00 H new ATOM 0 HA3 GLY A 58 4.894 6.295 -5.509 1.00 10.00 H new ATOM 853 N PRO A 59 5.161 6.092 -8.673 1.00 10.00 N ATOM 854 CA PRO A 59 4.513 6.297 -9.956 1.00 10.00 C ATOM 855 C PRO A 59 3.092 5.731 -9.951 1.00 10.00 C ATOM 856 O PRO A 59 2.850 4.647 -10.480 1.00 10.00 O ATOM 857 CB PRO A 59 5.419 5.616 -10.968 1.00 10.00 C ATOM 858 CG PRO A 59 6.291 4.660 -10.170 1.00 10.00 C ATOM 859 CD PRO A 59 6.156 5.024 -8.701 1.00 10.00 C ATOM 0 HA PRO A 59 4.388 7.352 -10.199 1.00 10.00 H new ATOM 0 HB2 PRO A 59 4.835 5.080 -11.716 1.00 10.00 H new ATOM 0 HB3 PRO A 59 6.027 6.346 -11.501 1.00 10.00 H new ATOM 0 HG2 PRO A 59 5.980 3.629 -10.338 1.00 10.00 H new ATOM 0 HG3 PRO A 59 7.331 4.735 -10.488 1.00 10.00 H new ATOM 0 HD2 PRO A 59 5.834 4.167 -8.109 1.00 10.00 H new ATOM 0 HD3 PRO A 59 7.107 5.358 -8.287 1.00 10.00 H new ATOM 867 N THR A 60 2.189 6.489 -9.345 1.00 10.00 N ATOM 868 CA THR A 60 0.798 6.076 -9.263 1.00 10.00 C ATOM 869 C THR A 60 0.121 6.214 -10.627 1.00 10.00 C ATOM 870 O THR A 60 -0.919 6.862 -10.745 1.00 10.00 O ATOM 871 CB THR A 60 0.125 6.899 -8.163 1.00 10.00 C ATOM 872 OG1 THR A 60 -1.250 6.542 -8.255 1.00 10.00 O ATOM 873 CG2 THR A 60 0.142 8.400 -8.462 1.00 10.00 C ATOM 0 H THR A 60 2.394 7.387 -8.906 1.00 10.00 H new ATOM 0 HA THR A 60 0.712 5.022 -8.998 1.00 10.00 H new ATOM 0 HB THR A 60 0.625 6.713 -7.212 1.00 10.00 H new ATOM 0 HG1 THR A 60 -1.588 6.769 -9.147 1.00 10.00 H new ATOM 0 HG21 THR A 60 -0.348 8.938 -7.651 1.00 10.00 H new ATOM 0 HG22 THR A 60 1.173 8.741 -8.553 1.00 10.00 H new ATOM 0 HG23 THR A 60 -0.387 8.591 -9.396 1.00 10.00 H new ATOM 881 N LYS A 61 0.735 5.593 -11.623 1.00 10.00 N ATOM 882 CA LYS A 61 0.204 5.639 -12.975 1.00 10.00 C ATOM 883 C LYS A 61 -0.217 4.231 -13.400 1.00 10.00 C ATOM 884 O LYS A 61 -1.172 4.067 -14.159 1.00 10.00 O ATOM 885 CB LYS A 61 1.209 6.293 -13.925 1.00 10.00 C ATOM 886 CG LYS A 61 2.018 5.237 -14.679 1.00 10.00 C ATOM 887 CD LYS A 61 3.257 5.856 -15.330 1.00 10.00 C ATOM 888 CE LYS A 61 4.436 5.874 -14.356 1.00 10.00 C ATOM 889 NZ LYS A 61 5.712 6.036 -15.088 1.00 10.00 N ATOM 0 H LYS A 61 1.596 5.055 -11.521 1.00 10.00 H new ATOM 0 HA LYS A 61 -0.688 6.265 -13.013 1.00 10.00 H new ATOM 0 HB2 LYS A 61 0.682 6.929 -14.636 1.00 10.00 H new ATOM 0 HB3 LYS A 61 1.883 6.937 -13.360 1.00 10.00 H new ATOM 0 HG2 LYS A 61 2.320 4.447 -13.992 1.00 10.00 H new ATOM 0 HG3 LYS A 61 1.394 4.774 -15.443 1.00 10.00 H new ATOM 0 HD2 LYS A 61 3.526 5.289 -16.221 1.00 10.00 H new ATOM 0 HD3 LYS A 61 3.033 6.872 -15.654 1.00 10.00 H new ATOM 0 HE2 LYS A 61 4.313 6.689 -13.643 1.00 10.00 H new ATOM 0 HE3 LYS A 61 4.455 4.948 -13.782 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 6.502 6.046 -14.411 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 5.835 5.244 -15.751 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 5.698 6.932 -15.617 1.00 10.00 H new ATOM 903 N CYS A 62 0.515 3.250 -12.892 1.00 10.00 N ATOM 904 CA CYS A 62 0.229 1.862 -13.210 1.00 10.00 C ATOM 905 C CYS A 62 1.288 0.987 -12.535 1.00 10.00 C ATOM 906 O CYS A 62 0.954 0.064 -11.793 1.00 10.00 O ATOM 907 CB CYS A 62 0.174 1.627 -14.721 1.00 10.00 C ATOM 908 SG CYS A 62 0.023 -0.128 -15.220 1.00 10.00 S ATOM 0 H CYS A 62 1.305 3.389 -12.263 1.00 10.00 H new ATOM 0 HA CYS A 62 -0.758 1.595 -12.831 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -0.671 2.180 -15.130 1.00 10.00 H new ATOM 0 HB3 CYS A 62 1.075 2.042 -15.172 1.00 10.00 H new ATOM 0 HG CYS A 62 -0.017 -0.209 -16.517 1.00 10.00 H new ATOM 913 N GLY A 63 2.541 1.308 -12.817 1.00 10.00 N ATOM 914 CA GLY A 63 3.651 0.563 -12.246 1.00 10.00 C ATOM 915 C GLY A 63 4.200 1.264 -11.002 1.00 10.00 C ATOM 916 O GLY A 63 5.411 1.302 -10.790 1.00 10.00 O ATOM 0 H GLY A 63 2.813 2.074 -13.433 1.00 10.00 H new ATOM 0 HA2 GLY A 63 3.323 -0.443 -11.986 1.00 10.00 H new ATOM 0 HA3 GLY A 63 4.443 0.458 -12.988 1.00 10.00 H new ATOM 920 N GLY A 64 3.282 1.801 -10.211 1.00 10.00 N ATOM 921 CA GLY A 64 3.659 2.499 -8.994 1.00 10.00 C ATOM 922 C GLY A 64 3.676 1.545 -7.798 1.00 10.00 C ATOM 923 O GLY A 64 3.136 1.861 -6.739 1.00 10.00 O ATOM 0 H GLY A 64 2.278 1.767 -10.390 1.00 10.00 H new ATOM 0 HA2 GLY A 64 4.644 2.949 -9.119 1.00 10.00 H new ATOM 0 HA3 GLY A 64 2.958 3.312 -8.805 1.00 10.00 H new ATOM 927 N CYS A 65 4.302 0.396 -8.007 1.00 10.00 N ATOM 928 CA CYS A 65 4.396 -0.607 -6.960 1.00 10.00 C ATOM 929 C CYS A 65 4.707 -1.955 -7.612 1.00 10.00 C ATOM 930 O CYS A 65 5.634 -2.650 -7.199 1.00 10.00 O ATOM 931 CB CYS A 65 3.123 -0.663 -6.113 1.00 10.00 C ATOM 932 SG CYS A 65 1.567 -0.447 -7.051 1.00 10.00 S ATOM 0 H CYS A 65 4.749 0.137 -8.886 1.00 10.00 H new ATOM 0 HA CYS A 65 5.200 -0.343 -6.272 1.00 10.00 H new ATOM 0 HB2 CYS A 65 3.089 -1.622 -5.596 1.00 10.00 H new ATOM 0 HB3 CYS A 65 3.179 0.110 -5.347 1.00 10.00 H new ATOM 0 HG CYS A 65 1.347 0.820 -7.241 1.00 10.00 H new ATOM 937 N HIS A 66 3.914 -2.285 -8.621 1.00 10.00 N ATOM 938 CA HIS A 66 4.093 -3.539 -9.335 1.00 10.00 C ATOM 939 C HIS A 66 5.485 -3.574 -9.969 1.00 10.00 C ATOM 940 O HIS A 66 5.787 -2.776 -10.855 1.00 10.00 O ATOM 941 CB HIS A 66 2.971 -3.748 -10.353 1.00 10.00 C ATOM 942 CG HIS A 66 1.691 -4.283 -9.757 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.653 -5.409 -8.953 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.406 -3.836 -9.854 1.00 10.00 C ATOM 945 CE1 HIS A 66 0.396 -5.621 -8.589 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.375 -4.645 -9.150 1.00 10.00 N ATOM 0 H HIS A 66 3.146 -1.706 -8.961 1.00 10.00 H new ATOM 0 HA HIS A 66 4.030 -4.373 -8.636 1.00 10.00 H new ATOM 0 HB2 HIS A 66 2.761 -2.799 -10.846 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.317 -4.438 -11.123 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.079 -2.970 -10.410 1.00 10.00 H new ATOM 0 HE1 HIS A 66 0.044 -6.425 -7.959 1.00 10.00 H new ATOM 0 HE2 HIS A 66 -1.385 -4.553 -9.045 1.00 10.00 H new ATOM 954 N ILE A 67 6.294 -4.507 -9.491 1.00 10.00 N ATOM 955 CA ILE A 67 7.646 -4.657 -10.000 1.00 10.00 C ATOM 956 C ILE A 67 7.621 -5.539 -11.250 1.00 10.00 C ATOM 957 O ILE A 67 7.528 -6.762 -11.150 1.00 10.00 O ATOM 958 CB ILE A 67 8.579 -5.172 -8.902 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.645 -4.188 -7.732 1.00 10.00 C ATOM 960 CG2 ILE A 67 9.967 -5.488 -9.464 1.00 10.00 C ATOM 961 CD1 ILE A 67 8.272 -4.875 -6.417 1.00 10.00 C ATOM 0 H ILE A 67 6.039 -5.167 -8.756 1.00 10.00 H new ATOM 0 HA ILE A 67 8.049 -3.690 -10.300 1.00 10.00 H new ATOM 0 HB ILE A 67 8.168 -6.105 -8.516 1.00 10.00 H new ATOM 0 HG12 ILE A 67 9.650 -3.773 -7.657 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.968 -3.353 -7.915 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.610 -5.852 -8.663 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.881 -6.253 -10.236 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.400 -4.585 -9.894 1.00 10.00 H new ATOM 0 HD11 ILE A 67 8.327 -4.154 -5.601 1.00 10.00 H new ATOM 0 HD12 ILE A 67 7.258 -5.268 -6.487 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.966 -5.694 -6.225 1.00 10.00 H new ATOM 973 N LYS A 68 7.707 -4.885 -12.399 1.00 10.00 N ATOM 974 CA LYS A 68 7.695 -5.595 -13.667 1.00 10.00 C ATOM 975 C LYS A 68 8.350 -4.723 -14.741 1.00 10.00 C ATOM 976 O LYS A 68 9.186 -3.875 -14.433 1.00 10.00 O ATOM 977 CB LYS A 68 6.275 -6.041 -14.019 1.00 10.00 C ATOM 978 CG LYS A 68 6.282 -7.014 -15.198 1.00 10.00 C ATOM 979 CD LYS A 68 4.856 -7.353 -15.638 1.00 10.00 C ATOM 980 CE LYS A 68 4.772 -8.785 -16.171 1.00 10.00 C ATOM 981 NZ LYS A 68 5.023 -9.758 -15.085 1.00 10.00 N ATOM 0 H LYS A 68 7.785 -3.871 -12.479 1.00 10.00 H new ATOM 0 HA LYS A 68 8.283 -6.510 -13.596 1.00 10.00 H new ATOM 0 HB2 LYS A 68 5.814 -6.517 -13.153 1.00 10.00 H new ATOM 0 HB3 LYS A 68 5.667 -5.170 -14.265 1.00 10.00 H new ATOM 0 HG2 LYS A 68 6.829 -6.576 -16.033 1.00 10.00 H new ATOM 0 HG3 LYS A 68 6.807 -7.927 -14.917 1.00 10.00 H new ATOM 0 HD2 LYS A 68 4.174 -7.234 -14.796 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.534 -6.654 -16.410 1.00 10.00 H new ATOM 0 HE2 LYS A 68 3.787 -8.961 -16.604 1.00 10.00 H new ATOM 0 HE3 LYS A 68 5.501 -8.926 -16.969 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 5.942 -10.220 -15.239 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 5.033 -9.263 -14.171 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 4.271 -10.476 -15.081 1.00 10.00 H new