USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 143 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 68 HIS :FLIP no HD1:sc= -20.6! C(o=-43!,f=-33!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -12.6! C(o=-35!,f=-33!) USER MOD Set 2.1: A 24 TYR OH : rot -50:sc= -3.52! USER MOD Set 2.2: A 51 LYS NZ :NH3+ -142:sc= 1.08 (180deg=-2.51!) USER MOD Set 3.1: A 5 THR OG1 : rot -100:sc= -7.17! USER MOD Set 3.2: A 64 LYS NZ :NH3+ 173:sc= -0.0597! (180deg=0.104) USER MOD Single : A 1 ILE N :NH3+ -155:sc= -6.02! (180deg=-8.16!) USER MOD Single : A 4 HIS : no HE2:sc= -6.48! C(o=-6.5!,f=-9!) USER MOD Single : A 6 THR OG1 : rot 95:sc= 0.0144 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 10:sc= 0.755 USER MOD Single : A 15 THR OG1 : rot 2:sc= 1.98 USER MOD Single : A 21 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.064) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -1.35! (180deg=-2.25!) USER MOD Single : A 27 MET CE :methyl -156:sc= -0.451 (180deg=-1.8!) USER MOD Single : A 34 SER OG : rot 33:sc= 0.713 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= -6.58! (180deg=-10.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 105:sc= -1.22 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.644 USER MOD Single : A 61 SER OG : rot -70:sc= 0.11 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -14.8! C(o=-16!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= -1.28 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 5.017 12.896 -2.066 1.00 0.00 N ATOM 2 CA ILE A 1 4.660 13.266 -3.492 1.00 0.00 C ATOM 3 C ILE A 1 5.091 12.236 -4.523 1.00 0.00 C ATOM 4 O ILE A 1 6.325 12.211 -4.909 1.00 0.00 O ATOM 5 CB ILE A 1 5.172 14.660 -3.852 1.00 0.00 C ATOM 6 CG1 ILE A 1 4.459 15.750 -3.054 1.00 0.00 C ATOM 7 CG2 ILE A 1 4.939 14.943 -5.351 1.00 0.00 C ATOM 8 CD1 ILE A 1 5.216 17.083 -3.168 1.00 0.00 C ATOM 0 H1 ILE A 1 4.366 13.373 -1.410 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.938 11.866 -1.944 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.992 13.195 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 1 3.571 13.278 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 1 6.236 14.677 -3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.440 15.871 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 1 4.387 15.454 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.308 15.939 -5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.471 14.203 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 1 3.873 14.887 -5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 1 4.694 17.848 -2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.226 16.962 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 1 5.265 17.385 -4.214 1.00 0.00 H new ATOM 12 N VAL A 2 4.319 11.271 -4.933 1.00 0.00 N ATOM 13 CA VAL A 2 4.622 10.053 -5.633 1.00 0.00 C ATOM 14 C VAL A 2 3.388 9.160 -5.674 1.00 0.00 C ATOM 15 O VAL A 2 2.507 9.491 -6.405 1.00 0.00 O ATOM 16 CB VAL A 2 5.844 9.245 -5.072 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.887 9.448 -3.576 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.949 7.753 -5.439 1.00 0.00 C ATOM 0 H VAL A 2 3.316 11.330 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 2 4.918 10.364 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 2 6.719 9.654 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.729 8.896 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.003 10.509 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.960 9.085 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.842 7.328 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.068 7.226 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.012 7.648 -6.522 1.00 0.00 H new ATOM 20 N CYS A 3 3.250 8.155 -4.839 1.00 0.00 N ATOM 21 CA CYS A 3 2.211 7.158 -5.007 1.00 0.00 C ATOM 22 C CYS A 3 0.889 7.848 -4.884 1.00 0.00 C ATOM 23 O CYS A 3 0.728 8.704 -4.049 1.00 0.00 O ATOM 24 CB CYS A 3 2.371 6.258 -3.840 1.00 0.00 C ATOM 25 SG CYS A 3 1.946 6.741 -2.147 1.00 0.00 S ATOM 0 H CYS A 3 3.850 8.004 -4.028 1.00 0.00 H new ATOM 0 HA CYS A 3 2.268 6.634 -5.961 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.790 5.362 -4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.420 5.961 -3.822 1.00 0.00 H new ATOM 27 N HIS A 4 -0.056 7.410 -5.653 1.00 0.00 N ATOM 28 CA HIS A 4 -1.348 8.077 -5.685 1.00 0.00 C ATOM 29 C HIS A 4 -2.485 7.071 -5.516 1.00 0.00 C ATOM 30 O HIS A 4 -3.360 6.970 -6.352 1.00 0.00 O ATOM 31 CB HIS A 4 -1.503 8.899 -6.972 1.00 0.00 C ATOM 32 CG HIS A 4 -0.541 10.086 -7.113 1.00 0.00 C ATOM 33 ND1 HIS A 4 0.428 10.104 -8.002 1.00 0.00 N ATOM 34 CD2 HIS A 4 -0.514 11.253 -6.489 1.00 0.00 C ATOM 35 CE1 HIS A 4 1.060 11.278 -7.927 1.00 0.00 C ATOM 36 NE2 HIS A 4 0.476 11.992 -6.982 1.00 0.00 N ATOM 0 H HIS A 4 0.027 6.601 -6.268 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.399 8.769 -4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.363 8.236 -7.826 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.525 9.273 -7.023 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.659 9.346 -8.644 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.190 11.557 -5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.899 11.588 -8.532 1.00 0.00 H new ATOM 39 N THR A 5 -2.359 6.248 -4.452 1.00 0.00 N ATOM 40 CA THR A 5 -3.335 5.186 -4.169 1.00 0.00 C ATOM 41 C THR A 5 -3.685 5.141 -2.641 1.00 0.00 C ATOM 42 O THR A 5 -4.295 6.025 -2.239 1.00 0.00 O ATOM 43 CB THR A 5 -2.987 3.771 -4.429 1.00 0.00 C ATOM 44 OG1 THR A 5 -3.225 3.412 -5.725 1.00 0.00 O ATOM 45 CG2 THR A 5 -4.272 2.933 -4.303 1.00 0.00 C ATOM 0 H THR A 5 -1.593 6.302 -3.781 1.00 0.00 H new ATOM 0 HA THR A 5 -4.115 5.488 -4.868 1.00 0.00 H new ATOM 0 HB THR A 5 -2.039 3.658 -3.902 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.075 2.927 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.042 1.884 -4.490 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.680 3.041 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.005 3.280 -5.031 1.00 0.00 H new ATOM 48 N THR A 6 -3.290 3.972 -2.065 1.00 0.00 N ATOM 49 CA THR A 6 -3.782 3.674 -0.656 1.00 0.00 C ATOM 50 C THR A 6 -2.687 4.526 -0.014 1.00 0.00 C ATOM 51 O THR A 6 -2.334 5.559 -0.470 1.00 0.00 O ATOM 52 CB THR A 6 -3.802 2.168 -0.370 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.469 1.272 -1.247 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.080 1.736 1.076 1.00 0.00 C ATOM 0 H THR A 6 -2.689 3.267 -2.492 1.00 0.00 H new ATOM 0 HA THR A 6 -4.800 3.901 -0.339 1.00 0.00 H new ATOM 0 HB THR A 6 -2.743 2.052 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.826 0.903 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.066 0.648 1.140 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.314 2.148 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.058 2.105 1.384 1.00 0.00 H new ATOM 57 N ALA A 7 -2.330 4.062 1.215 1.00 0.00 N ATOM 58 CA ALA A 7 -1.416 4.787 2.096 1.00 0.00 C ATOM 59 C ALA A 7 -2.156 5.132 3.357 1.00 0.00 C ATOM 60 O ALA A 7 -2.220 6.348 3.595 1.00 0.00 O ATOM 61 CB ALA A 7 -0.638 6.004 1.514 1.00 0.00 C ATOM 0 H ALA A 7 -2.672 3.184 1.605 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.591 4.099 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.003 6.434 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.019 5.675 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.346 6.756 1.166 1.00 0.00 H new ATOM 63 N THR A 8 -2.529 4.192 4.187 1.00 0.00 N ATOM 64 CA THR A 8 -3.354 4.495 5.394 1.00 0.00 C ATOM 65 C THR A 8 -4.786 4.639 4.908 1.00 0.00 C ATOM 66 O THR A 8 -5.302 5.755 4.843 1.00 0.00 O ATOM 67 CB THR A 8 -2.927 5.834 6.065 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.590 5.715 6.510 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.795 6.454 7.163 1.00 0.00 C ATOM 0 H THR A 8 -2.291 3.206 4.076 1.00 0.00 H new ATOM 0 HA THR A 8 -3.232 3.701 6.131 1.00 0.00 H new ATOM 0 HB THR A 8 -3.067 6.556 5.260 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.310 6.554 6.933 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.338 7.381 7.508 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.788 6.665 6.766 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.878 5.758 7.998 1.00 0.00 H new ATOM 72 N SER A 9 -5.364 3.501 4.479 1.00 0.00 N ATOM 73 CA SER A 9 -6.783 3.393 4.097 1.00 0.00 C ATOM 74 C SER A 9 -7.015 3.596 2.576 1.00 0.00 C ATOM 75 O SER A 9 -6.098 3.276 1.821 1.00 0.00 O ATOM 76 CB SER A 9 -7.596 4.380 4.951 1.00 0.00 C ATOM 77 OG SER A 9 -7.726 4.219 6.333 1.00 0.00 O ATOM 0 H SER A 9 -4.853 2.623 4.387 1.00 0.00 H new ATOM 0 HA SER A 9 -7.125 2.377 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.166 5.368 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.605 4.398 4.539 1.00 0.00 H new ATOM 0 HG SER A 9 -8.276 4.944 6.697 1.00 0.00 H new ATOM 80 N PRO A 10 -8.151 4.055 2.048 1.00 0.00 N ATOM 81 CA PRO A 10 -8.345 4.256 0.604 1.00 0.00 C ATOM 82 C PRO A 10 -7.474 5.389 0.056 1.00 0.00 C ATOM 83 O PRO A 10 -7.233 5.443 -1.147 1.00 0.00 O ATOM 84 CB PRO A 10 -9.843 4.553 0.472 1.00 0.00 C ATOM 85 CG PRO A 10 -10.211 5.288 1.752 1.00 0.00 C ATOM 86 CD PRO A 10 -9.458 4.378 2.685 1.00 0.00 C ATOM 0 HA PRO A 10 -8.044 3.387 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.049 5.164 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.420 3.634 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.859 6.319 1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.284 5.313 1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.304 4.862 3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.027 3.467 2.873 1.00 0.00 H new ATOM 87 N ILE A 11 -7.121 6.336 0.930 1.00 0.00 N ATOM 88 CA ILE A 11 -6.342 7.534 0.531 1.00 0.00 C ATOM 89 C ILE A 11 -7.116 8.189 -0.611 1.00 0.00 C ATOM 90 O ILE A 11 -8.280 7.995 -0.748 1.00 0.00 O ATOM 91 CB ILE A 11 -4.893 7.131 0.230 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.353 6.606 1.538 1.00 0.00 C ATOM 93 CG2 ILE A 11 -3.870 8.159 -0.307 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.438 7.663 2.647 1.00 0.00 C ATOM 0 H ILE A 11 -7.358 6.305 1.922 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.240 8.281 1.318 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.981 6.447 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.914 5.720 1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.316 6.297 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.906 7.671 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.222 8.559 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.760 8.972 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.041 7.250 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.855 8.539 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.478 7.952 2.795 1.00 0.00 H new ATOM 96 N SER A 12 -6.334 8.929 -1.418 1.00 0.00 N ATOM 97 CA SER A 12 -6.845 9.630 -2.592 1.00 0.00 C ATOM 98 C SER A 12 -5.676 10.217 -3.363 1.00 0.00 C ATOM 99 O SER A 12 -5.812 11.373 -3.799 1.00 0.00 O ATOM 100 CB SER A 12 -7.760 10.760 -2.124 1.00 0.00 C ATOM 101 OG SER A 12 -8.997 10.193 -1.723 1.00 0.00 O ATOM 0 H SER A 12 -5.333 9.053 -1.268 1.00 0.00 H new ATOM 0 HA SER A 12 -7.399 8.943 -3.233 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.303 11.300 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.915 11.481 -2.927 1.00 0.00 H new ATOM 0 HG SER A 12 -8.913 9.217 -1.686 1.00 0.00 H new ATOM 104 N ALA A 13 -4.567 9.509 -3.448 1.00 0.00 N ATOM 105 CA ALA A 13 -3.351 9.982 -4.137 1.00 0.00 C ATOM 106 C ALA A 13 -2.307 10.457 -3.160 1.00 0.00 C ATOM 107 O ALA A 13 -1.155 10.232 -3.523 1.00 0.00 O ATOM 108 CB ALA A 13 -3.495 11.076 -5.210 1.00 0.00 C ATOM 0 H ALA A 13 -4.469 8.579 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.063 9.078 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.514 11.314 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.146 10.720 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.927 11.971 -4.762 1.00 0.00 H new ATOM 110 N VAL A 14 -2.731 11.054 -2.041 1.00 0.00 N ATOM 111 CA VAL A 14 -1.902 11.571 -0.925 1.00 0.00 C ATOM 112 C VAL A 14 -0.453 11.446 -1.274 1.00 0.00 C ATOM 113 O VAL A 14 0.094 12.511 -1.653 1.00 0.00 O ATOM 114 CB VAL A 14 -2.168 10.880 0.428 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.110 11.154 1.506 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.498 11.386 0.968 1.00 0.00 C ATOM 0 H VAL A 14 -3.726 11.203 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.184 12.616 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.154 9.809 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.379 10.628 2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.138 10.804 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.061 12.225 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.707 10.910 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.448 12.466 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.293 11.145 0.262 1.00 0.00 H new ATOM 118 N THR A 15 0.000 10.213 -1.203 1.00 0.00 N ATOM 119 CA THR A 15 1.302 9.763 -1.613 1.00 0.00 C ATOM 120 C THR A 15 2.057 9.523 -0.296 1.00 0.00 C ATOM 121 O THR A 15 3.015 10.098 -0.009 1.00 0.00 O ATOM 122 CB THR A 15 1.966 10.894 -2.401 1.00 0.00 C ATOM 123 OG1 THR A 15 1.524 11.050 -3.729 1.00 0.00 O ATOM 124 CG2 THR A 15 3.357 10.639 -2.463 1.00 0.00 C ATOM 0 H THR A 15 -0.572 9.454 -0.833 1.00 0.00 H new ATOM 0 HA THR A 15 1.283 8.870 -2.238 1.00 0.00 H new ATOM 0 HB THR A 15 1.701 11.807 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.819 10.396 -3.918 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.848 11.436 -3.022 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.765 10.599 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.530 9.686 -2.962 1.00 0.00 H new ATOM 127 N CYS A 16 1.330 8.921 0.676 1.00 0.00 N ATOM 128 CA CYS A 16 2.103 8.632 1.901 1.00 0.00 C ATOM 129 C CYS A 16 2.309 9.920 2.766 1.00 0.00 C ATOM 130 O CYS A 16 1.340 10.512 3.210 1.00 0.00 O ATOM 131 CB CYS A 16 3.277 7.833 1.411 1.00 0.00 C ATOM 132 SG CYS A 16 4.915 8.402 0.569 1.00 0.00 S ATOM 0 H CYS A 16 0.345 8.657 0.653 1.00 0.00 H new ATOM 0 HA CYS A 16 1.613 8.020 2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.603 7.267 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.845 7.119 0.710 1.00 0.00 H new ATOM 134 N PRO A 17 3.567 10.259 3.115 1.00 0.00 N ATOM 135 CA PRO A 17 3.934 11.490 3.774 1.00 0.00 C ATOM 136 C PRO A 17 3.741 12.733 2.887 1.00 0.00 C ATOM 137 O PRO A 17 2.778 12.764 2.096 1.00 0.00 O ATOM 138 CB PRO A 17 5.366 11.046 4.160 1.00 0.00 C ATOM 139 CG PRO A 17 5.860 10.208 3.034 1.00 0.00 C ATOM 140 CD PRO A 17 4.693 9.403 3.475 1.00 0.00 C ATOM 0 HA PRO A 17 3.346 11.848 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.013 11.910 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.360 10.481 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.817 10.641 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.846 9.757 3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.649 8.439 2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.722 9.198 4.545 1.00 0.00 H new ATOM 141 N PRO A 18 4.547 13.775 3.110 1.00 0.00 N ATOM 142 CA PRO A 18 4.426 15.043 2.389 1.00 0.00 C ATOM 143 C PRO A 18 4.874 14.868 0.939 1.00 0.00 C ATOM 144 O PRO A 18 4.234 14.157 0.170 1.00 0.00 O ATOM 145 CB PRO A 18 5.290 15.995 3.237 1.00 0.00 C ATOM 146 CG PRO A 18 6.439 15.137 3.744 1.00 0.00 C ATOM 147 CD PRO A 18 5.585 13.976 4.163 1.00 0.00 C ATOM 0 HA PRO A 18 3.414 15.435 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.655 16.832 2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.718 16.417 4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.167 14.885 2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.990 15.591 4.567 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.191 13.078 4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.118 14.173 5.128 1.00 0.00 H new ATOM 148 N GLY A 19 5.977 15.544 0.617 1.00 0.00 N ATOM 149 CA GLY A 19 6.614 15.479 -0.688 1.00 0.00 C ATOM 150 C GLY A 19 8.094 15.190 -0.680 1.00 0.00 C ATOM 151 O GLY A 19 8.931 16.068 -0.740 1.00 0.00 O ATOM 0 H GLY A 19 6.457 16.162 1.271 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.115 14.709 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.451 16.428 -1.199 1.00 0.00 H new ATOM 153 N GLU A 20 8.336 13.904 -0.611 1.00 0.00 N ATOM 154 CA GLU A 20 9.692 13.355 -0.554 1.00 0.00 C ATOM 155 C GLU A 20 9.964 12.462 -1.758 1.00 0.00 C ATOM 156 O GLU A 20 11.104 12.026 -1.894 1.00 0.00 O ATOM 157 CB GLU A 20 9.898 12.537 0.723 1.00 0.00 C ATOM 158 CG GLU A 20 8.845 11.435 0.825 1.00 0.00 C ATOM 159 CD GLU A 20 7.548 12.047 1.302 1.00 0.00 C ATOM 160 OE1 GLU A 20 7.570 12.401 2.490 1.00 0.00 O ATOM 161 OE2 GLU A 20 6.620 12.229 0.477 1.00 0.00 O ATOM 0 H GLU A 20 7.603 13.195 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 20 10.384 14.197 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.895 12.097 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.837 13.189 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.703 10.957 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.175 10.660 1.517 1.00 0.00 H new ATOM 163 N ASN A 21 8.893 12.090 -2.472 1.00 0.00 N ATOM 164 CA ASN A 21 8.972 11.193 -3.638 1.00 0.00 C ATOM 165 C ASN A 21 9.066 9.768 -3.130 1.00 0.00 C ATOM 166 O ASN A 21 9.455 9.537 -1.988 1.00 0.00 O ATOM 167 CB ASN A 21 10.190 11.450 -4.536 1.00 0.00 C ATOM 168 CG ASN A 21 10.094 12.814 -5.205 1.00 0.00 C ATOM 169 OD1 ASN A 21 11.010 13.621 -5.229 1.00 0.00 O ATOM 170 ND2 ASN A 21 8.942 13.040 -5.795 1.00 0.00 N ATOM 0 H ASN A 21 7.945 12.402 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 21 8.081 11.375 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.102 11.395 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.257 10.672 -5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.789 13.915 -6.296 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.201 12.340 -5.752 1.00 0.00 H new ATOM 174 N LEU A 22 8.588 8.853 -3.965 1.00 0.00 N ATOM 175 CA LEU A 22 8.499 7.431 -3.581 1.00 0.00 C ATOM 176 C LEU A 22 7.445 7.136 -2.502 1.00 0.00 C ATOM 177 O LEU A 22 7.119 7.946 -1.621 1.00 0.00 O ATOM 178 CB LEU A 22 9.864 6.993 -3.082 1.00 0.00 C ATOM 179 CG LEU A 22 10.102 5.555 -3.413 1.00 0.00 C ATOM 180 CD1 LEU A 22 11.576 5.295 -3.677 1.00 0.00 C ATOM 181 CD2 LEU A 22 9.555 4.659 -2.340 1.00 0.00 C ATOM 0 H LEU A 22 8.256 9.058 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 22 8.185 6.877 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.639 7.610 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.929 7.140 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 22 9.564 5.321 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.723 4.242 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.909 5.907 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.155 5.550 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.741 3.618 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.044 4.885 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.482 4.822 -2.242 1.00 0.00 H new ATOM 183 N CYS A 23 6.904 5.946 -2.584 1.00 0.00 N ATOM 184 CA CYS A 23 5.929 5.494 -1.613 1.00 0.00 C ATOM 185 C CYS A 23 6.086 4.031 -1.253 1.00 0.00 C ATOM 186 O CYS A 23 5.922 3.186 -2.120 1.00 0.00 O ATOM 187 CB CYS A 23 4.518 5.681 -2.074 1.00 0.00 C ATOM 188 SG CYS A 23 3.860 7.371 -2.037 1.00 0.00 S ATOM 0 H CYS A 23 7.121 5.268 -3.315 1.00 0.00 H new ATOM 0 HA CYS A 23 6.125 6.117 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.443 5.310 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.874 5.053 -1.459 1.00 0.00 H new ATOM 190 N TYR A 24 6.406 3.776 0.009 1.00 0.00 N ATOM 191 CA TYR A 24 6.562 2.383 0.472 1.00 0.00 C ATOM 192 C TYR A 24 5.318 1.554 0.260 1.00 0.00 C ATOM 193 O TYR A 24 4.156 1.870 0.655 1.00 0.00 O ATOM 194 CB TYR A 24 7.147 2.424 1.906 1.00 0.00 C ATOM 195 CG TYR A 24 6.205 2.116 3.064 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.871 2.327 2.957 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.604 1.358 4.125 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.869 1.701 3.657 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.615 0.853 4.956 1.00 0.00 C ATOM 200 CZ TYR A 24 4.269 0.950 4.708 1.00 0.00 C ATOM 201 OH TYR A 24 3.329 0.483 5.548 1.00 0.00 O ATOM 0 H TYR A 24 6.562 4.488 0.723 1.00 0.00 H new ATOM 0 HA TYR A 24 7.279 1.836 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.976 1.717 1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.566 3.417 2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.560 3.072 2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.649 1.159 4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.829 1.802 3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.925 0.349 5.860 1.00 0.00 H new ATOM 0 HH TYR A 24 2.741 1.218 5.822 1.00 0.00 H new ATOM 208 N ARG A 25 5.316 0.579 -0.588 1.00 0.00 N ATOM 209 CA ARG A 25 4.103 -0.204 -0.682 1.00 0.00 C ATOM 210 C ARG A 25 4.221 -1.538 0.029 1.00 0.00 C ATOM 211 O ARG A 25 5.158 -2.245 -0.257 1.00 0.00 O ATOM 212 CB ARG A 25 3.523 -0.206 -2.082 1.00 0.00 C ATOM 213 CG ARG A 25 2.432 -1.271 -2.181 1.00 0.00 C ATOM 214 CD ARG A 25 2.019 -1.451 -3.620 1.00 0.00 C ATOM 215 NE ARG A 25 2.694 -2.605 -4.182 1.00 0.00 N ATOM 216 CZ ARG A 25 2.274 -3.843 -3.990 1.00 0.00 C ATOM 217 NH1 ARG A 25 1.191 -4.090 -3.261 1.00 0.00 N ATOM 218 NH2 ARG A 25 2.960 -4.834 -4.517 1.00 0.00 N ATOM 0 H ARG A 25 6.086 0.306 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 25 3.321 0.295 -0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.111 0.775 -2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.308 -0.405 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.796 -2.216 -1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.571 -0.979 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.939 -1.582 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.266 -0.558 -4.194 1.00 0.00 H new ATOM 0 HE ARG A 25 3.528 -2.455 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.672 -3.319 -2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.878 -5.051 -3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.800 -4.640 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.652 -5.797 -4.380 1.00 0.00 H new ATOM 225 N LYS A 26 3.385 -1.731 1.045 1.00 0.00 N ATOM 226 CA LYS A 26 3.430 -2.989 1.810 1.00 0.00 C ATOM 227 C LYS A 26 2.029 -3.463 2.074 1.00 0.00 C ATOM 228 O LYS A 26 1.181 -2.579 2.182 1.00 0.00 O ATOM 229 CB LYS A 26 4.115 -2.772 3.150 1.00 0.00 C ATOM 230 CG LYS A 26 5.605 -2.975 2.967 1.00 0.00 C ATOM 231 CD LYS A 26 6.271 -1.793 2.278 1.00 0.00 C ATOM 232 CE LYS A 26 7.688 -2.158 1.927 1.00 0.00 C ATOM 233 NZ LYS A 26 8.297 -1.237 0.992 1.00 0.00 N ATOM 0 H LYS A 26 2.684 -1.059 1.357 1.00 0.00 H new ATOM 0 HA LYS A 26 3.984 -3.726 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.912 -1.767 3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.726 -3.470 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.070 -3.134 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.777 -3.878 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.719 -1.523 1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.259 -0.921 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.285 -2.189 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.704 -3.161 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.332 -1.299 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.006 -1.482 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.991 -0.267 1.211 1.00 0.00 H new ATOM 238 N MET A 27 1.852 -4.744 2.325 1.00 0.00 N ATOM 239 CA MET A 27 0.563 -5.429 2.571 1.00 0.00 C ATOM 240 C MET A 27 -0.236 -5.606 1.304 1.00 0.00 C ATOM 241 O MET A 27 0.176 -5.099 0.267 1.00 0.00 O ATOM 242 CB MET A 27 -0.294 -4.669 3.554 1.00 0.00 C ATOM 243 CG MET A 27 0.502 -4.675 4.830 1.00 0.00 C ATOM 244 SD MET A 27 0.361 -6.179 5.823 1.00 0.00 S ATOM 245 CE MET A 27 -1.394 -6.082 6.091 1.00 0.00 C ATOM 0 H MET A 27 2.641 -5.389 2.369 1.00 0.00 H new ATOM 0 HA MET A 27 0.824 -6.405 2.979 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.486 -3.652 3.210 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.264 -5.148 3.689 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.552 -4.519 4.584 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.188 -3.827 5.439 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.655 -6.631 6.996 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.688 -5.038 6.202 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.917 -6.517 5.239 1.00 0.00 H new ATOM 247 N TRP A 28 -1.326 -6.365 1.444 1.00 0.00 N ATOM 248 CA TRP A 28 -2.202 -6.743 0.320 1.00 0.00 C ATOM 249 C TRP A 28 -3.091 -7.935 0.661 1.00 0.00 C ATOM 250 O TRP A 28 -4.288 -7.941 0.465 1.00 0.00 O ATOM 251 CB TRP A 28 -1.379 -7.052 -0.935 1.00 0.00 C ATOM 252 CG TRP A 28 -2.185 -7.394 -2.166 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.811 -6.580 -2.987 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.356 -8.709 -2.601 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.375 -7.340 -3.964 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.117 -8.585 -3.733 1.00 0.00 C ATOM 257 CE3 TRP A 28 -1.951 -9.905 -2.093 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.506 -9.784 -4.407 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.287 -11.076 -2.786 1.00 0.00 C ATOM 260 CH2 TRP A 28 -3.061 -10.983 -3.938 1.00 0.00 C ATOM 0 H TRP A 28 -1.631 -6.739 2.343 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.848 -5.887 0.124 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.751 -6.190 -1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.710 -7.884 -0.715 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.867 -5.505 -2.901 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.915 -6.984 -4.753 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.383 -9.951 -1.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.145 -9.740 -5.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.949 -12.038 -2.430 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.316 -11.885 -4.475 1.00 0.00 H new ATOM 268 N CYS A 29 -2.450 -8.858 1.358 1.00 0.00 N ATOM 269 CA CYS A 29 -3.076 -10.124 1.706 1.00 0.00 C ATOM 270 C CYS A 29 -3.038 -10.177 3.222 1.00 0.00 C ATOM 271 O CYS A 29 -2.404 -11.109 3.731 1.00 0.00 O ATOM 272 CB CYS A 29 -2.313 -11.298 1.070 1.00 0.00 C ATOM 273 SG CYS A 29 -3.245 -12.806 1.442 1.00 0.00 S ATOM 0 H CYS A 29 -1.493 -8.754 1.695 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.098 -10.201 1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.221 -11.159 -0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.301 -11.362 1.471 1.00 0.00 H new ATOM 275 N ASP A 30 -3.673 -9.215 3.874 1.00 0.00 N ATOM 276 CA ASP A 30 -3.766 -9.098 5.352 1.00 0.00 C ATOM 277 C ASP A 30 -2.747 -9.966 6.093 1.00 0.00 C ATOM 278 O ASP A 30 -1.608 -9.517 6.339 1.00 0.00 O ATOM 279 CB ASP A 30 -5.181 -9.525 5.770 1.00 0.00 C ATOM 280 CG ASP A 30 -6.164 -8.435 5.437 1.00 0.00 C ATOM 281 OD1 ASP A 30 -5.869 -7.390 5.998 1.00 0.00 O ATOM 282 OD2 ASP A 30 -7.079 -8.660 4.621 1.00 0.00 O ATOM 0 H ASP A 30 -4.159 -8.461 3.388 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.550 -8.063 5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.459 -10.446 5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.206 -9.735 6.839 1.00 0.00 H new ATOM 284 N ALA A 31 -3.103 -11.216 6.220 1.00 0.00 N ATOM 285 CA ALA A 31 -2.240 -12.324 6.674 1.00 0.00 C ATOM 286 C ALA A 31 -2.967 -13.662 6.634 1.00 0.00 C ATOM 287 O ALA A 31 -2.432 -14.692 7.041 1.00 0.00 O ATOM 288 CB ALA A 31 -1.897 -12.036 8.127 1.00 0.00 C ATOM 0 H ALA A 31 -4.050 -11.527 6.003 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.367 -12.388 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.257 -12.829 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.374 -11.082 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.814 -11.990 8.715 1.00 0.00 H new ATOM 290 N PHE A 32 -4.233 -13.611 6.233 1.00 0.00 N ATOM 291 CA PHE A 32 -5.078 -14.794 6.195 1.00 0.00 C ATOM 292 C PHE A 32 -5.297 -15.292 4.780 1.00 0.00 C ATOM 293 O PHE A 32 -5.890 -16.358 4.654 1.00 0.00 O ATOM 294 CB PHE A 32 -6.409 -14.506 6.884 1.00 0.00 C ATOM 295 CG PHE A 32 -6.165 -14.430 8.387 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.007 -15.602 9.113 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.097 -13.192 9.012 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.774 -15.537 10.480 1.00 0.00 C ATOM 299 CE2 PHE A 32 -5.872 -13.130 10.380 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.710 -14.301 11.113 1.00 0.00 C ATOM 0 H PHE A 32 -4.697 -12.755 5.928 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.563 -15.590 6.733 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.830 -13.569 6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.132 -15.290 6.656 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.065 -16.560 8.617 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.218 -12.285 8.438 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.643 -16.445 11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.823 -12.172 10.876 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.534 -14.250 12.177 1.00 0.00 H new ATOM 307 N CYS A 33 -4.924 -14.467 3.788 1.00 0.00 N ATOM 308 CA CYS A 33 -5.095 -14.801 2.356 1.00 0.00 C ATOM 309 C CYS A 33 -6.409 -15.543 2.126 1.00 0.00 C ATOM 310 O CYS A 33 -6.442 -16.605 1.491 1.00 0.00 O ATOM 311 CB CYS A 33 -3.872 -15.574 1.806 1.00 0.00 C ATOM 312 SG CYS A 33 -2.322 -14.614 1.596 1.00 0.00 S ATOM 0 H CYS A 33 -4.498 -13.555 3.950 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.150 -13.870 1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.668 -16.410 2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.144 -15.999 0.840 1.00 0.00 H new ATOM 314 N SER A 34 -7.425 -15.105 2.857 1.00 0.00 N ATOM 315 CA SER A 34 -8.701 -15.827 2.911 1.00 0.00 C ATOM 316 C SER A 34 -9.632 -15.257 1.856 1.00 0.00 C ATOM 317 O SER A 34 -10.840 -15.247 2.088 1.00 0.00 O ATOM 318 CB SER A 34 -9.360 -15.707 4.291 1.00 0.00 C ATOM 319 OG SER A 34 -8.665 -16.507 5.241 1.00 0.00 O ATOM 0 H SER A 34 -7.397 -14.256 3.422 1.00 0.00 H new ATOM 0 HA SER A 34 -8.508 -16.883 2.724 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.359 -14.666 4.613 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.402 -16.022 4.233 1.00 0.00 H new ATOM 0 HG SER A 34 -7.711 -16.524 5.019 1.00 0.00 H new ATOM 322 N SER A 35 -9.035 -14.794 0.753 1.00 0.00 N ATOM 323 CA SER A 35 -9.705 -14.138 -0.390 1.00 0.00 C ATOM 324 C SER A 35 -9.619 -12.630 -0.234 1.00 0.00 C ATOM 325 O SER A 35 -8.759 -12.188 0.561 1.00 0.00 O ATOM 326 CB SER A 35 -11.175 -14.552 -0.584 1.00 0.00 C ATOM 327 OG SER A 35 -11.185 -15.956 -0.797 1.00 0.00 O ATOM 0 H SER A 35 -8.026 -14.866 0.620 1.00 0.00 H new ATOM 0 HA SER A 35 -9.175 -14.472 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.768 -14.290 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.614 -14.030 -1.434 1.00 0.00 H new ATOM 0 HG SER A 35 -12.108 -16.261 -0.924 1.00 0.00 H new ATOM 330 N ARG A 36 -10.429 -11.901 -0.984 1.00 0.00 N ATOM 331 CA ARG A 36 -10.526 -10.425 -0.981 1.00 0.00 C ATOM 332 C ARG A 36 -9.130 -9.801 -1.222 1.00 0.00 C ATOM 333 O ARG A 36 -8.327 -10.314 -2.004 1.00 0.00 O ATOM 334 CB ARG A 36 -11.220 -9.966 0.328 1.00 0.00 C ATOM 335 CG ARG A 36 -10.348 -10.199 1.567 1.00 0.00 C ATOM 336 CD ARG A 36 -10.731 -9.488 2.824 1.00 0.00 C ATOM 337 NE ARG A 36 -9.796 -9.892 3.886 1.00 0.00 N ATOM 338 CZ ARG A 36 -10.004 -9.537 5.146 1.00 0.00 C ATOM 339 NH1 ARG A 36 -11.052 -8.782 5.456 1.00 0.00 N ATOM 340 NH2 ARG A 36 -9.186 -9.936 6.100 1.00 0.00 N ATOM 0 H ARG A 36 -11.074 -12.330 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.148 -10.068 -1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.464 -8.906 0.254 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.161 -10.503 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.339 -11.269 1.775 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.326 -9.914 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.694 -8.409 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.755 -9.737 3.104 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.977 -10.452 3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.695 -8.477 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.214 -8.508 6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.384 -10.523 5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.355 -9.657 7.066 1.00 0.00 H new ATOM 347 N GLY A 37 -8.819 -8.799 -0.403 1.00 0.00 N ATOM 348 CA GLY A 37 -7.509 -8.160 -0.313 1.00 0.00 C ATOM 349 C GLY A 37 -7.793 -6.703 -0.551 1.00 0.00 C ATOM 350 O GLY A 37 -7.992 -6.454 -1.741 1.00 0.00 O ATOM 0 H GLY A 37 -9.499 -8.395 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.053 -8.323 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.819 -8.558 -1.057 1.00 0.00 H new ATOM 352 N LYS A 38 -8.127 -6.045 0.578 1.00 0.00 N ATOM 353 CA LYS A 38 -8.408 -4.607 0.789 1.00 0.00 C ATOM 354 C LYS A 38 -7.661 -3.884 1.919 1.00 0.00 C ATOM 355 O LYS A 38 -7.850 -2.723 2.252 1.00 0.00 O ATOM 356 CB LYS A 38 -9.891 -4.248 0.668 1.00 0.00 C ATOM 357 CG LYS A 38 -10.054 -2.751 0.410 1.00 0.00 C ATOM 358 CD LYS A 38 -11.513 -2.409 0.306 1.00 0.00 C ATOM 359 CE LYS A 38 -11.578 -0.896 0.307 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.968 -0.499 0.209 1.00 0.00 N ATOM 0 H LYS A 38 -8.216 -6.559 1.455 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.916 -4.160 -0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.345 -4.816 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.415 -4.526 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.594 -2.181 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.539 -2.473 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.948 -2.819 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.074 -2.826 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.133 -0.498 1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.008 -0.491 -0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.062 0.265 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.542 -1.314 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.299 -0.163 1.136 1.00 0.00 H new ATOM 365 N VAL A 39 -6.744 -4.652 2.489 1.00 0.00 N ATOM 366 CA VAL A 39 -6.030 -4.173 3.674 1.00 0.00 C ATOM 367 C VAL A 39 -4.528 -4.203 3.404 1.00 0.00 C ATOM 368 O VAL A 39 -3.793 -5.115 3.774 1.00 0.00 O ATOM 369 CB VAL A 39 -6.428 -5.004 4.894 1.00 0.00 C ATOM 370 CG1 VAL A 39 -5.619 -4.582 6.128 1.00 0.00 C ATOM 371 CG2 VAL A 39 -7.922 -4.930 5.228 1.00 0.00 C ATOM 0 H VAL A 39 -6.479 -5.583 2.166 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.304 -3.141 3.892 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.205 -6.037 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.919 -5.187 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.557 -4.729 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.806 -3.530 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.130 -5.544 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.198 -3.896 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.503 -5.297 4.382 1.00 0.00 H new ATOM 373 N VAL A 40 -4.132 -3.127 2.745 1.00 0.00 N ATOM 374 CA VAL A 40 -2.712 -2.929 2.447 1.00 0.00 C ATOM 375 C VAL A 40 -2.199 -1.863 3.464 1.00 0.00 C ATOM 376 O VAL A 40 -2.825 -1.506 4.406 1.00 0.00 O ATOM 377 CB VAL A 40 -2.527 -2.596 0.958 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.085 -2.634 0.498 1.00 0.00 C ATOM 379 CG2 VAL A 40 -3.031 -3.678 0.027 1.00 0.00 C ATOM 0 H VAL A 40 -4.752 -2.389 2.410 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.103 -3.823 2.580 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.031 -1.631 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.035 -2.388 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.503 -1.909 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.678 -3.632 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.867 -3.374 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.493 -4.605 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.097 -3.835 0.195 1.00 0.00 H new ATOM 381 N GLU A 41 -0.924 -1.494 3.226 1.00 0.00 N ATOM 382 CA GLU A 41 -0.207 -0.484 4.010 1.00 0.00 C ATOM 383 C GLU A 41 0.394 0.599 3.160 1.00 0.00 C ATOM 384 O GLU A 41 0.050 1.744 3.532 1.00 0.00 O ATOM 385 CB GLU A 41 0.987 -1.048 4.732 1.00 0.00 C ATOM 386 CG GLU A 41 0.513 -1.857 5.905 1.00 0.00 C ATOM 387 CD GLU A 41 -0.216 -1.128 6.990 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.446 -0.951 6.861 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.533 -0.858 7.946 1.00 0.00 O ATOM 0 H GLU A 41 -0.363 -1.897 2.475 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.975 -0.110 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.575 -1.671 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.638 -0.242 5.069 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.140 -2.645 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.379 -2.346 6.350 1.00 0.00 H new ATOM 391 N LEU A 42 1.088 0.259 2.110 1.00 0.00 N ATOM 392 CA LEU A 42 1.526 1.200 1.046 1.00 0.00 C ATOM 393 C LEU A 42 1.160 2.657 1.298 1.00 0.00 C ATOM 394 O LEU A 42 0.227 3.231 0.831 1.00 0.00 O ATOM 395 CB LEU A 42 0.964 0.734 -0.270 1.00 0.00 C ATOM 396 CG LEU A 42 -0.504 0.550 -0.566 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.328 0.439 0.668 1.00 0.00 C ATOM 398 CD2 LEU A 42 -0.954 1.855 -1.064 1.00 0.00 C ATOM 0 H LEU A 42 1.387 -0.701 1.940 1.00 0.00 H new ATOM 0 HA LEU A 42 2.616 1.183 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.335 1.433 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.433 -0.229 -0.472 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.609 -0.325 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.375 0.308 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.995 -0.419 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.218 1.347 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.016 1.806 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.789 2.613 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.392 2.116 -1.960 1.00 0.00 H new ATOM 400 N GLY A 43 1.884 3.187 2.221 1.00 0.00 N ATOM 401 CA GLY A 43 1.524 4.330 3.028 1.00 0.00 C ATOM 402 C GLY A 43 2.548 5.385 2.872 1.00 0.00 C ATOM 403 O GLY A 43 2.305 6.408 3.503 1.00 0.00 O ATOM 0 H GLY A 43 2.806 2.819 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.547 4.709 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.443 4.038 4.075 1.00 0.00 H new ATOM 405 N CYS A 44 3.673 4.956 2.283 1.00 0.00 N ATOM 406 CA CYS A 44 5.040 5.438 2.483 1.00 0.00 C ATOM 407 C CYS A 44 5.154 6.188 3.779 1.00 0.00 C ATOM 408 O CYS A 44 4.339 6.013 4.680 1.00 0.00 O ATOM 409 CB CYS A 44 5.493 6.164 1.246 1.00 0.00 C ATOM 410 SG CYS A 44 6.607 7.561 1.201 1.00 0.00 S ATOM 0 H CYS A 44 3.644 4.200 1.598 1.00 0.00 H new ATOM 0 HA CYS A 44 5.743 4.614 2.604 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.945 5.405 0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.582 6.497 0.749 1.00 0.00 H new ATOM 412 N ALA A 45 6.336 6.667 4.012 1.00 0.00 N ATOM 413 CA ALA A 45 6.635 7.236 5.331 1.00 0.00 C ATOM 414 C ALA A 45 8.051 7.775 5.344 1.00 0.00 C ATOM 415 O ALA A 45 8.693 7.663 6.381 1.00 0.00 O ATOM 416 CB ALA A 45 6.473 6.174 6.450 1.00 0.00 C ATOM 0 H ALA A 45 7.104 6.686 3.341 1.00 0.00 H new ATOM 0 HA ALA A 45 5.929 8.044 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.701 6.625 7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.448 5.805 6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.156 5.345 6.266 1.00 0.00 H new ATOM 418 N ALA A 46 8.539 8.236 4.178 1.00 0.00 N ATOM 419 CA ALA A 46 9.890 8.810 3.983 1.00 0.00 C ATOM 420 C ALA A 46 10.403 8.437 2.586 1.00 0.00 C ATOM 421 O ALA A 46 10.018 9.027 1.592 1.00 0.00 O ATOM 422 CB ALA A 46 10.966 8.419 5.028 1.00 0.00 C ATOM 0 H ALA A 46 7.991 8.221 3.318 1.00 0.00 H new ATOM 0 HA ALA A 46 9.749 9.883 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.910 8.902 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.646 8.743 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.100 7.337 5.025 1.00 0.00 H new ATOM 424 N THR A 47 11.196 7.384 2.498 1.00 0.00 N ATOM 425 CA THR A 47 11.784 6.933 1.225 1.00 0.00 C ATOM 426 C THR A 47 11.678 5.417 1.134 1.00 0.00 C ATOM 427 O THR A 47 12.679 4.764 0.916 1.00 0.00 O ATOM 428 CB THR A 47 13.248 7.431 1.118 1.00 0.00 C ATOM 429 OG1 THR A 47 13.223 8.853 1.039 1.00 0.00 O ATOM 430 CG2 THR A 47 14.053 6.941 -0.097 1.00 0.00 C ATOM 0 H THR A 47 11.457 6.810 3.300 1.00 0.00 H new ATOM 0 HA THR A 47 11.238 7.356 0.381 1.00 0.00 H new ATOM 0 HB THR A 47 13.745 7.025 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.140 9.193 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.060 7.357 -0.059 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.110 5.853 -0.081 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.561 7.265 -1.014 1.00 0.00 H new ATOM 433 N CYS A 48 10.517 4.837 1.474 1.00 0.00 N ATOM 434 CA CYS A 48 10.339 3.363 1.418 1.00 0.00 C ATOM 435 C CYS A 48 11.593 2.663 1.947 1.00 0.00 C ATOM 436 O CYS A 48 12.511 2.316 1.190 1.00 0.00 O ATOM 437 CB CYS A 48 10.141 2.784 0.018 1.00 0.00 C ATOM 438 SG CYS A 48 9.531 1.069 -0.198 1.00 0.00 S ATOM 0 H CYS A 48 9.693 5.350 1.787 1.00 0.00 H new ATOM 0 HA CYS A 48 9.440 3.190 2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.448 3.441 -0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.099 2.853 -0.498 1.00 0.00 H new ATOM 440 N PRO A 49 11.647 2.506 3.259 1.00 0.00 N ATOM 441 CA PRO A 49 12.810 1.880 3.895 1.00 0.00 C ATOM 442 C PRO A 49 12.924 0.392 3.535 1.00 0.00 C ATOM 443 O PRO A 49 13.695 -0.319 4.166 1.00 0.00 O ATOM 444 CB PRO A 49 12.556 2.111 5.383 1.00 0.00 C ATOM 445 CG PRO A 49 11.032 2.124 5.513 1.00 0.00 C ATOM 446 CD PRO A 49 10.548 2.753 4.213 1.00 0.00 C ATOM 0 HA PRO A 49 13.761 2.300 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.999 1.321 5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.991 3.052 5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.635 1.117 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.712 2.704 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.617 2.299 3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.358 3.819 4.333 1.00 0.00 H new ATOM 447 N SER A 50 12.110 -0.055 2.565 1.00 0.00 N ATOM 448 CA SER A 50 12.014 -1.446 2.099 1.00 0.00 C ATOM 449 C SER A 50 11.228 -2.297 3.074 1.00 0.00 C ATOM 450 O SER A 50 10.313 -2.980 2.639 1.00 0.00 O ATOM 451 CB SER A 50 13.367 -2.135 1.905 1.00 0.00 C ATOM 452 OG SER A 50 14.103 -1.423 0.917 1.00 0.00 O ATOM 0 H SER A 50 11.476 0.568 2.065 1.00 0.00 H new ATOM 0 HA SER A 50 11.516 -1.370 1.133 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.919 -2.156 2.845 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.223 -3.170 1.596 1.00 0.00 H new ATOM 0 HG SER A 50 14.973 -1.853 0.784 1.00 0.00 H new ATOM 455 N LYS A 51 11.533 -2.166 4.368 1.00 0.00 N ATOM 456 CA LYS A 51 10.898 -2.931 5.452 1.00 0.00 C ATOM 457 C LYS A 51 11.344 -4.394 5.372 1.00 0.00 C ATOM 458 O LYS A 51 12.538 -4.680 5.346 1.00 0.00 O ATOM 459 CB LYS A 51 9.378 -2.811 5.373 1.00 0.00 C ATOM 460 CG LYS A 51 8.960 -1.364 5.413 1.00 0.00 C ATOM 461 CD LYS A 51 7.473 -1.419 5.247 1.00 0.00 C ATOM 462 CE LYS A 51 6.641 -2.001 6.382 1.00 0.00 C ATOM 463 NZ LYS A 51 5.213 -1.755 6.127 1.00 0.00 N ATOM 0 H LYS A 51 12.242 -1.513 4.701 1.00 0.00 H new ATOM 0 HA LYS A 51 11.210 -2.523 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.018 -3.274 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.921 -3.351 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.241 -0.892 6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.431 -0.789 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.121 -0.404 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.260 -1.997 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.826 -3.072 6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.934 -1.549 7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.734 -1.532 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.110 -0.955 5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.784 -2.604 5.707 1.00 0.00 H new ATOM 468 N LYS A 52 10.375 -5.289 5.456 1.00 0.00 N ATOM 469 CA LYS A 52 10.598 -6.721 5.443 1.00 0.00 C ATOM 470 C LYS A 52 9.821 -7.395 4.310 1.00 0.00 C ATOM 471 O LYS A 52 9.033 -6.723 3.632 1.00 0.00 O ATOM 472 CB LYS A 52 10.161 -7.193 6.827 1.00 0.00 C ATOM 473 CG LYS A 52 11.246 -6.841 7.835 1.00 0.00 C ATOM 474 CD LYS A 52 10.904 -7.518 9.148 1.00 0.00 C ATOM 475 CE LYS A 52 11.843 -6.993 10.224 1.00 0.00 C ATOM 476 NZ LYS A 52 11.557 -7.677 11.486 1.00 0.00 N ATOM 0 H LYS A 52 9.391 -5.033 5.537 1.00 0.00 H new ATOM 0 HA LYS A 52 11.638 -6.983 5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.220 -6.720 7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.988 -8.269 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.221 -7.173 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.307 -5.761 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.868 -7.316 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.004 -8.599 9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.880 -7.160 9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.715 -5.917 10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.196 -7.322 12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.571 -7.495 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.700 -8.700 11.367 1.00 0.00 H new ATOM 481 N PRO A 53 10.049 -8.690 4.121 1.00 0.00 N ATOM 482 CA PRO A 53 9.353 -9.486 3.106 1.00 0.00 C ATOM 483 C PRO A 53 7.895 -9.660 3.527 1.00 0.00 C ATOM 484 O PRO A 53 7.045 -8.914 3.042 1.00 0.00 O ATOM 485 CB PRO A 53 10.162 -10.783 3.025 1.00 0.00 C ATOM 486 CG PRO A 53 10.730 -10.973 4.431 1.00 0.00 C ATOM 487 CD PRO A 53 11.025 -9.542 4.850 1.00 0.00 C ATOM 0 HA PRO A 53 9.300 -9.034 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.533 -11.625 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.957 -10.708 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.015 -11.454 5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.628 -11.590 4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.918 -9.422 5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.049 -9.265 4.598 1.00 0.00 H new ATOM 488 N TYR A 54 7.673 -10.514 4.534 1.00 0.00 N ATOM 489 CA TYR A 54 6.349 -10.911 5.055 1.00 0.00 C ATOM 490 C TYR A 54 5.341 -10.979 3.901 1.00 0.00 C ATOM 491 O TYR A 54 5.765 -11.099 2.763 1.00 0.00 O ATOM 492 CB TYR A 54 5.969 -9.911 6.157 1.00 0.00 C ATOM 493 CG TYR A 54 4.596 -10.206 6.769 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.428 -11.356 7.531 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.506 -9.425 6.415 1.00 0.00 C ATOM 496 CE1 TYR A 54 3.161 -11.723 7.954 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.231 -9.801 6.829 1.00 0.00 C ATOM 498 CZ TYR A 54 2.081 -10.943 7.590 1.00 0.00 C ATOM 499 OH TYR A 54 0.862 -11.234 8.067 1.00 0.00 O ATOM 0 H TYR A 54 8.439 -10.968 5.032 1.00 0.00 H new ATOM 0 HA TYR A 54 6.358 -11.908 5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.726 -9.935 6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.970 -8.902 5.744 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.283 -11.962 7.793 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.645 -8.532 5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.020 -12.606 8.560 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.371 -9.207 6.558 1.00 0.00 H new ATOM 0 HH TYR A 54 0.621 -10.589 8.765 1.00 0.00 H new ATOM 506 N GLU A 55 4.049 -10.915 4.208 1.00 0.00 N ATOM 507 CA GLU A 55 2.940 -10.848 3.258 1.00 0.00 C ATOM 508 C GLU A 55 3.380 -10.280 1.893 1.00 0.00 C ATOM 509 O GLU A 55 3.977 -10.969 1.080 1.00 0.00 O ATOM 510 CB GLU A 55 1.824 -9.987 3.868 1.00 0.00 C ATOM 511 CG GLU A 55 0.464 -10.492 3.459 1.00 0.00 C ATOM 512 CD GLU A 55 0.405 -10.411 1.948 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.083 -9.286 1.515 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.755 -11.404 1.276 1.00 0.00 O ATOM 0 H GLU A 55 3.729 -10.908 5.177 1.00 0.00 H new ATOM 0 HA GLU A 55 2.577 -11.859 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.907 -9.996 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.943 -8.952 3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.314 -11.517 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.324 -9.889 3.910 1.00 0.00 H new ATOM 516 N GLU A 56 3.004 -9.042 1.625 1.00 0.00 N ATOM 517 CA GLU A 56 3.338 -8.393 0.362 1.00 0.00 C ATOM 518 C GLU A 56 4.031 -7.095 0.693 1.00 0.00 C ATOM 519 O GLU A 56 3.733 -6.478 1.707 1.00 0.00 O ATOM 520 CB GLU A 56 2.079 -8.118 -0.453 1.00 0.00 C ATOM 521 CG GLU A 56 1.495 -9.419 -1.007 1.00 0.00 C ATOM 522 CD GLU A 56 2.399 -10.050 -2.053 1.00 0.00 C ATOM 523 OE1 GLU A 56 3.309 -10.810 -1.666 1.00 0.00 O ATOM 524 OE2 GLU A 56 2.165 -9.692 -3.223 1.00 0.00 O ATOM 0 H GLU A 56 2.464 -8.461 2.266 1.00 0.00 H new ATOM 0 HA GLU A 56 3.983 -9.039 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.338 -7.619 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.313 -7.440 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.340 -10.123 -0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.517 -9.219 -1.446 1.00 0.00 H new ATOM 526 N VAL A 57 4.895 -6.708 -0.228 1.00 0.00 N ATOM 527 CA VAL A 57 5.746 -5.515 -0.078 1.00 0.00 C ATOM 528 C VAL A 57 6.155 -5.118 -1.507 1.00 0.00 C ATOM 529 O VAL A 57 5.814 -5.759 -2.479 1.00 0.00 O ATOM 530 CB VAL A 57 6.942 -5.932 0.808 1.00 0.00 C ATOM 531 CG1 VAL A 57 8.215 -5.085 0.749 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.552 -6.011 2.282 1.00 0.00 C ATOM 0 H VAL A 57 5.036 -7.205 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 57 5.265 -4.660 0.398 1.00 0.00 H new ATOM 0 HB VAL A 57 7.189 -6.897 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.962 -5.503 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.605 -5.085 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.986 -4.063 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.419 -6.307 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.200 -5.036 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.758 -6.747 2.409 1.00 0.00 H new ATOM 534 N THR A 58 6.882 -3.995 -1.574 1.00 0.00 N ATOM 535 CA THR A 58 7.483 -3.504 -2.827 1.00 0.00 C ATOM 536 C THR A 58 8.244 -2.207 -2.549 1.00 0.00 C ATOM 537 O THR A 58 8.495 -1.954 -1.390 1.00 0.00 O ATOM 538 CB THR A 58 6.373 -3.295 -3.859 1.00 0.00 C ATOM 539 OG1 THR A 58 6.828 -2.741 -5.083 1.00 0.00 O ATOM 540 CG2 THR A 58 5.434 -2.283 -3.302 1.00 0.00 C ATOM 0 H THR A 58 7.071 -3.401 -0.766 1.00 0.00 H new ATOM 0 HA THR A 58 8.191 -4.230 -3.225 1.00 0.00 H new ATOM 0 HB THR A 58 5.937 -4.275 -4.054 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.071 -2.636 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.626 -2.107 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.019 -2.650 -2.363 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.969 -1.350 -3.122 1.00 0.00 H new ATOM 543 N CYS A 59 8.349 -1.299 -3.486 1.00 0.00 N ATOM 544 CA CYS A 59 9.035 -0.003 -3.395 1.00 0.00 C ATOM 545 C CYS A 59 9.056 0.606 -4.793 1.00 0.00 C ATOM 546 O CYS A 59 9.823 0.200 -5.667 1.00 0.00 O ATOM 547 CB CYS A 59 10.480 -0.150 -2.883 1.00 0.00 C ATOM 548 SG CYS A 59 10.740 -0.327 -1.075 1.00 0.00 S ATOM 0 H CYS A 59 7.932 -1.442 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 59 8.503 0.631 -2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.920 -1.020 -3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 59 11.043 0.721 -3.218 1.00 0.00 H new ATOM 550 N CYS A 60 8.109 1.499 -5.017 1.00 0.00 N ATOM 551 CA CYS A 60 8.036 2.201 -6.310 1.00 0.00 C ATOM 552 C CYS A 60 8.503 3.623 -6.151 1.00 0.00 C ATOM 553 O CYS A 60 9.140 3.833 -5.139 1.00 0.00 O ATOM 554 CB CYS A 60 6.617 2.142 -6.780 1.00 0.00 C ATOM 555 SG CYS A 60 6.437 0.412 -7.387 1.00 0.00 S ATOM 0 H CYS A 60 7.388 1.760 -4.344 1.00 0.00 H new ATOM 0 HA CYS A 60 8.685 1.728 -7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.917 2.359 -5.973 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.426 2.867 -7.571 1.00 0.00 H new ATOM 557 N SER A 61 8.095 4.543 -7.013 1.00 0.00 N ATOM 558 CA SER A 61 8.517 5.967 -7.009 1.00 0.00 C ATOM 559 C SER A 61 8.501 6.556 -8.421 1.00 0.00 C ATOM 560 O SER A 61 9.434 7.192 -8.912 1.00 0.00 O ATOM 561 CB SER A 61 9.963 6.156 -6.555 1.00 0.00 C ATOM 562 OG SER A 61 10.201 7.520 -6.223 1.00 0.00 O ATOM 0 H SER A 61 7.440 4.329 -7.765 1.00 0.00 H new ATOM 0 HA SER A 61 7.814 6.452 -6.332 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.166 5.523 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.644 5.843 -7.346 1.00 0.00 H new ATOM 0 HG SER A 61 10.190 8.062 -7.039 1.00 0.00 H new ATOM 565 N THR A 62 7.438 6.254 -9.142 1.00 0.00 N ATOM 566 CA THR A 62 7.340 6.728 -10.536 1.00 0.00 C ATOM 567 C THR A 62 5.980 7.372 -10.747 1.00 0.00 C ATOM 568 O THR A 62 5.393 7.126 -11.789 1.00 0.00 O ATOM 569 CB THR A 62 7.611 5.584 -11.545 1.00 0.00 C ATOM 570 OG1 THR A 62 8.966 5.185 -11.379 1.00 0.00 O ATOM 571 CG2 THR A 62 7.460 5.884 -13.049 1.00 0.00 C ATOM 0 H THR A 62 6.646 5.702 -8.812 1.00 0.00 H new ATOM 0 HA THR A 62 8.110 7.477 -10.718 1.00 0.00 H new ATOM 0 HB THR A 62 6.843 4.847 -11.310 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.172 4.458 -12.004 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.683 4.985 -13.624 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.438 6.203 -13.256 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.152 6.677 -13.333 1.00 0.00 H new ATOM 574 N ASP A 63 5.449 8.046 -9.726 1.00 0.00 N ATOM 575 CA ASP A 63 4.103 8.668 -9.749 1.00 0.00 C ATOM 576 C ASP A 63 3.183 7.827 -8.885 1.00 0.00 C ATOM 577 O ASP A 63 2.153 8.336 -8.486 1.00 0.00 O ATOM 578 CB ASP A 63 3.451 8.728 -11.137 1.00 0.00 C ATOM 579 CG ASP A 63 2.280 9.633 -11.331 1.00 0.00 C ATOM 580 OD1 ASP A 63 1.182 9.144 -11.000 1.00 0.00 O ATOM 581 OD2 ASP A 63 2.561 10.736 -11.838 1.00 0.00 O ATOM 0 H ASP A 63 5.940 8.183 -8.843 1.00 0.00 H new ATOM 0 HA ASP A 63 4.239 9.692 -9.399 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.219 9.021 -11.853 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.138 7.718 -11.401 1.00 0.00 H new ATOM 583 N LYS A 64 3.398 6.546 -8.741 1.00 0.00 N ATOM 584 CA LYS A 64 2.524 5.664 -7.950 1.00 0.00 C ATOM 585 C LYS A 64 2.958 4.240 -8.184 1.00 0.00 C ATOM 586 O LYS A 64 3.847 4.036 -9.017 1.00 0.00 O ATOM 587 CB LYS A 64 1.108 5.759 -8.480 1.00 0.00 C ATOM 588 CG LYS A 64 0.098 5.159 -7.552 1.00 0.00 C ATOM 589 CD LYS A 64 -1.085 5.407 -8.430 1.00 0.00 C ATOM 590 CE LYS A 64 -2.157 4.650 -7.626 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.478 4.482 -7.778 1.00 0.00 N ATOM 0 H LYS A 64 4.189 6.063 -9.167 1.00 0.00 H new ATOM 0 HA LYS A 64 2.577 5.949 -6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.859 6.806 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.052 5.255 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.272 4.103 -7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.038 5.666 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.312 6.468 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.953 5.006 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.773 3.631 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.066 5.067 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.824 3.796 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.962 5.392 -7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.675 4.127 -8.736 1.00 0.00 H new ATOM 596 N CYS A 65 2.441 3.370 -7.315 1.00 0.00 N ATOM 597 CA CYS A 65 2.597 1.911 -7.399 1.00 0.00 C ATOM 598 C CYS A 65 2.273 1.248 -6.072 1.00 0.00 C ATOM 599 O CYS A 65 3.096 0.646 -5.383 1.00 0.00 O ATOM 600 CB CYS A 65 4.030 1.643 -7.702 1.00 0.00 C ATOM 601 SG CYS A 65 4.547 -0.063 -7.926 1.00 0.00 S ATOM 0 H CYS A 65 1.887 3.665 -6.511 1.00 0.00 H new ATOM 0 HA CYS A 65 1.924 1.517 -8.161 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.286 2.190 -8.609 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.626 2.068 -6.894 1.00 0.00 H new ATOM 603 N ASN A 66 1.100 1.638 -5.641 1.00 0.00 N ATOM 604 CA ASN A 66 0.530 1.108 -4.419 1.00 0.00 C ATOM 605 C ASN A 66 -0.993 1.135 -4.482 1.00 0.00 C ATOM 606 O ASN A 66 -1.643 1.626 -3.587 1.00 0.00 O ATOM 607 CB ASN A 66 1.210 1.892 -3.309 1.00 0.00 C ATOM 608 CG ASN A 66 0.839 3.344 -3.347 1.00 0.00 C ATOM 609 OD1 ASN A 66 1.381 3.884 -4.372 1.00 0.00 O flip ATOM 610 ND2 ASN A 66 0.070 3.978 -2.652 1.00 0.00 N flip ATOM 0 H ASN A 66 0.515 2.324 -6.118 1.00 0.00 H new ATOM 0 HA ASN A 66 0.716 0.049 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.932 1.471 -2.343 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.291 1.790 -3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.359 3.541 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.147 4.947 -2.885 1.00 0.00 H new ATOM 614 N PRO A 67 -1.562 0.671 -5.595 1.00 0.00 N ATOM 615 CA PRO A 67 -2.993 0.669 -5.798 1.00 0.00 C ATOM 616 C PRO A 67 -3.711 -0.267 -4.873 1.00 0.00 C ATOM 617 O PRO A 67 -3.288 -0.423 -3.714 1.00 0.00 O ATOM 618 CB PRO A 67 -3.233 0.632 -7.301 1.00 0.00 C ATOM 619 CG PRO A 67 -2.085 -0.261 -7.732 1.00 0.00 C ATOM 620 CD PRO A 67 -0.943 0.074 -6.781 1.00 0.00 C ATOM 0 HA PRO A 67 -3.492 1.582 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.206 0.212 -7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.184 1.622 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.358 -1.314 -7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.804 -0.070 -8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.380 -0.821 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.241 0.767 -7.244 1.00 0.00 H new ATOM 621 N HIS A 68 -4.846 -0.714 -5.362 1.00 0.00 N ATOM 622 CA HIS A 68 -5.631 -1.730 -4.683 1.00 0.00 C ATOM 623 C HIS A 68 -6.956 -1.926 -5.411 1.00 0.00 C ATOM 624 O HIS A 68 -7.712 -0.955 -5.553 1.00 0.00 O ATOM 625 CB HIS A 68 -5.847 -1.271 -3.253 1.00 0.00 C ATOM 626 CG HIS A 68 -6.543 -2.321 -2.474 1.00 0.00 C ATOM 627 ND1 HIS A 68 -7.825 -2.319 -2.182 1.00 0.00 N flip ATOM 628 CD2 HIS A 68 -5.994 -3.454 -2.138 1.00 0.00 C flip ATOM 629 CE1 HIS A 68 -8.138 -3.467 -1.712 1.00 0.00 C flip ATOM 630 NE2 HIS A 68 -6.986 -4.095 -1.678 1.00 0.00 N flip ATOM 0 H HIS A 68 -5.253 -0.387 -6.238 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.114 -2.689 -4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.888 -1.041 -2.789 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.434 -0.353 -3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.964 -3.765 -2.228 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.111 -3.830 -1.416 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.895 -5.040 -1.305 1.00 0.00 H new ATOM 633 N PRO A 69 -7.183 -3.148 -5.868 1.00 0.00 N ATOM 634 CA PRO A 69 -8.417 -3.514 -6.583 1.00 0.00 C ATOM 635 C PRO A 69 -9.578 -3.590 -5.590 1.00 0.00 C ATOM 636 O PRO A 69 -9.422 -3.152 -4.459 1.00 0.00 O ATOM 637 CB PRO A 69 -8.072 -4.860 -7.215 1.00 0.00 C ATOM 638 CG PRO A 69 -7.072 -5.498 -6.248 1.00 0.00 C ATOM 639 CD PRO A 69 -6.281 -4.315 -5.707 1.00 0.00 C ATOM 0 HA PRO A 69 -8.737 -2.797 -7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.960 -5.481 -7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.638 -4.732 -8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.579 -6.039 -5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.425 -6.213 -6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.011 -4.465 -4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.352 -4.175 -6.259 1.00 0.00 H new ATOM 640 N LYS A 70 -10.691 -4.183 -6.016 1.00 0.00 N ATOM 641 CA LYS A 70 -11.887 -4.396 -5.181 1.00 0.00 C ATOM 642 C LYS A 70 -12.340 -3.053 -4.603 1.00 0.00 C ATOM 643 O LYS A 70 -12.985 -2.272 -5.307 1.00 0.00 O ATOM 644 CB LYS A 70 -11.606 -5.450 -4.097 1.00 0.00 C ATOM 645 CG LYS A 70 -12.859 -5.684 -3.256 1.00 0.00 C ATOM 646 CD LYS A 70 -12.548 -6.650 -2.126 1.00 0.00 C ATOM 647 CE LYS A 70 -13.744 -6.712 -1.185 1.00 0.00 C ATOM 648 NZ LYS A 70 -13.463 -7.685 -0.126 1.00 0.00 N ATOM 0 H LYS A 70 -10.796 -4.538 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.704 -4.790 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.290 -6.384 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.787 -5.118 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.217 -4.738 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.657 -6.085 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.332 -7.641 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.660 -6.324 -1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.936 -5.730 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.641 -7.000 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.305 -7.798 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.216 -8.601 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.668 -7.347 0.454 1.00 0.00 H new ATOM 653 N GLN A 71 -11.877 -2.753 -3.394 1.00 0.00 N ATOM 654 CA GLN A 71 -12.169 -1.481 -2.753 1.00 0.00 C ATOM 655 C GLN A 71 -13.665 -1.438 -2.442 1.00 0.00 C ATOM 656 O GLN A 71 -14.312 -2.464 -2.223 1.00 0.00 O ATOM 657 CB GLN A 71 -11.706 -0.277 -3.595 1.00 0.00 C ATOM 658 CG GLN A 71 -10.200 -0.246 -3.812 1.00 0.00 C ATOM 659 CD GLN A 71 -9.439 0.151 -2.550 1.00 0.00 C ATOM 660 OE1 GLN A 71 -8.162 0.296 -2.669 1.00 0.00 O flip ATOM 661 NE2 GLN A 71 -9.935 0.447 -1.483 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.295 -3.379 -2.838 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.604 -1.404 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.206 -0.304 -4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.015 0.645 -3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.863 -1.228 -4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.965 0.457 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.941 0.349 -1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.346 0.794 -0.726 1.00 0.00 H new ATOM 665 N ARG A 72 -14.117 -0.223 -2.202 1.00 0.00 N ATOM 666 CA ARG A 72 -15.517 0.026 -1.896 1.00 0.00 C ATOM 667 C ARG A 72 -15.917 1.354 -2.516 1.00 0.00 C ATOM 668 O ARG A 72 -15.343 2.399 -2.161 1.00 0.00 O ATOM 669 CB ARG A 72 -15.751 0.039 -0.393 1.00 0.00 C ATOM 670 CG ARG A 72 -17.219 0.070 -0.009 1.00 0.00 C ATOM 671 CD ARG A 72 -17.309 0.134 1.523 1.00 0.00 C ATOM 672 NE ARG A 72 -16.674 1.364 2.051 1.00 0.00 N ATOM 673 CZ ARG A 72 -16.904 1.903 3.265 1.00 0.00 C ATOM 674 NH1 ARG A 72 -17.654 1.258 4.112 1.00 0.00 N ATOM 675 NH2 ARG A 72 -16.573 3.173 3.502 1.00 0.00 N ATOM 0 H ARG A 72 -13.533 0.613 -2.213 1.00 0.00 H new ATOM 0 HA ARG A 72 -16.130 -0.774 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.287 -0.844 0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.253 0.908 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.711 0.934 -0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.730 -0.817 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.355 0.102 1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.824 -0.742 1.954 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.007 1.843 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.058 0.358 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.837 1.653 5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.147 3.735 2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.746 3.582 4.420 1.00 0.00 H new ATOM 682 N PRO A 73 -16.948 1.292 -3.344 1.00 0.00 N ATOM 683 CA PRO A 73 -17.522 2.472 -4.011 1.00 0.00 C ATOM 684 C PRO A 73 -18.361 3.337 -3.051 1.00 0.00 C ATOM 685 O PRO A 73 -19.442 3.808 -3.391 1.00 0.00 O ATOM 686 CB PRO A 73 -18.323 1.868 -5.164 1.00 0.00 C ATOM 687 CG PRO A 73 -18.809 0.523 -4.624 1.00 0.00 C ATOM 688 CD PRO A 73 -17.654 0.050 -3.752 1.00 0.00 C ATOM 0 HA PRO A 73 -16.770 3.176 -4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.159 2.509 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.705 1.740 -6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.728 0.630 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.018 -0.181 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.015 -0.502 -2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.992 -0.618 -4.302 1.00 0.00 H new ATOM 689 N GLY A 74 -17.820 3.581 -1.858 1.00 0.00 N ATOM 690 CA GLY A 74 -18.489 4.443 -0.847 1.00 0.00 C ATOM 691 C GLY A 74 -18.155 3.964 0.552 1.00 0.00 C ATOM 692 O GLY A 74 -17.933 4.742 1.509 1.00 0.00 O ATOM 693 OXT GLY A 74 -18.124 2.747 0.546 1.00 99.99 O ATOM 0 H GLY A 74 -16.923 3.201 -1.555 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.169 5.477 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.568 4.423 -0.998 1.00 0.00 H new TER 695 GLY A 74