USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00599) USER MOD Single : A 1 MET N :NH3+ 127:sc= 1.35 (180deg=0.277) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -6.24! C(o=-6.2!,f=-8.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.541 K(o=-0.54,f=-6.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.97! C(o=-3!,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -1.98 (180deg=-2.59!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.392 K(o=-0.39,f=-2.2!) USER MOD Single : A 28 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.076) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.296 (180deg=-0.724!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 5:sc= -4.13 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -8.51! C(o=-8.5!,f=-17!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= -0.0594 (180deg=-0.428) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0634 USER MOD Single : A 58 ASN : amide:sc= -3.61! C(o=-3.6!,f=-11!) USER MOD Single : A 62 SER OG : rot -77:sc= -0.0188 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0132) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.507 K(o=-0.51,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.426 7.157 -3.905 1.00 0.00 N ATOM 2 CA MET A 1 -8.169 7.131 -3.109 1.00 0.00 C ATOM 3 C MET A 1 -7.624 8.537 -2.896 1.00 0.00 C ATOM 4 O MET A 1 -7.641 9.364 -3.809 1.00 0.00 O ATOM 5 CB MET A 1 -7.141 6.274 -3.850 1.00 0.00 C ATOM 6 CG MET A 1 -7.567 4.823 -4.012 1.00 0.00 C ATOM 7 SD MET A 1 -8.697 4.581 -5.395 1.00 0.00 S ATOM 8 CE MET A 1 -9.466 3.031 -4.934 1.00 0.00 C ATOM 0 H1 MET A 1 -9.336 6.513 -4.717 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.221 6.852 -3.308 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.600 8.124 -4.247 1.00 0.00 H new ATOM 0 HA MET A 1 -8.376 6.706 -2.127 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.963 6.705 -4.835 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.194 6.309 -3.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.683 4.203 -4.158 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.046 4.484 -3.093 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.206 2.755 -5.685 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.706 2.252 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.955 3.141 -3.966 1.00 0.00 H new ATOM 20 N ASP A 2 -7.141 8.805 -1.688 1.00 0.00 N ATOM 21 CA ASP A 2 -6.583 10.111 -1.365 1.00 0.00 C ATOM 22 C ASP A 2 -5.075 10.114 -1.578 1.00 0.00 C ATOM 23 O ASP A 2 -4.342 9.384 -0.914 1.00 0.00 O ATOM 24 CB ASP A 2 -6.908 10.485 0.082 1.00 0.00 C ATOM 25 CG ASP A 2 -7.903 11.625 0.175 1.00 0.00 C ATOM 26 OD1 ASP A 2 -7.686 12.659 -0.490 1.00 0.00 O ATOM 27 OD2 ASP A 2 -8.901 11.482 0.912 1.00 0.00 O ATOM 0 H ASP A 2 -7.125 8.136 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.031 10.850 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.309 9.613 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.989 10.765 0.597 1.00 0.00 H new ATOM 32 N SER A 3 -4.616 10.927 -2.519 1.00 0.00 N ATOM 33 CA SER A 3 -3.195 11.012 -2.820 1.00 0.00 C ATOM 34 C SER A 3 -2.410 11.514 -1.613 1.00 0.00 C ATOM 35 O SER A 3 -1.223 11.233 -1.476 1.00 0.00 O ATOM 36 CB SER A 3 -2.961 11.934 -4.016 1.00 0.00 C ATOM 37 OG SER A 3 -1.646 12.464 -4.003 1.00 0.00 O ATOM 0 H SER A 3 -5.206 11.536 -3.086 1.00 0.00 H new ATOM 0 HA SER A 3 -2.842 10.011 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.125 11.382 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.685 12.749 -3.998 1.00 0.00 H new ATOM 0 HG SER A 3 -1.521 13.049 -4.779 1.00 0.00 H new ATOM 43 N LYS A 4 -3.083 12.255 -0.738 1.00 0.00 N ATOM 44 CA LYS A 4 -2.440 12.815 0.445 1.00 0.00 C ATOM 45 C LYS A 4 -1.939 11.722 1.385 1.00 0.00 C ATOM 46 O LYS A 4 -0.792 11.755 1.830 1.00 0.00 O ATOM 47 CB LYS A 4 -3.413 13.731 1.188 1.00 0.00 C ATOM 48 CG LYS A 4 -3.092 15.206 1.040 1.00 0.00 C ATOM 49 CD LYS A 4 -3.976 16.058 1.932 1.00 0.00 C ATOM 50 CE LYS A 4 -4.885 16.950 1.110 1.00 0.00 C ATOM 51 NZ LYS A 4 -6.321 16.607 1.300 1.00 0.00 N ATOM 0 H LYS A 4 -4.074 12.481 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.578 13.392 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.423 13.549 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.407 13.471 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.045 15.379 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.225 15.506 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.577 15.414 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.355 16.670 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.721 17.991 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.626 16.858 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.909 17.240 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.484 15.622 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.575 16.719 2.302 1.00 0.00 H new ATOM 65 N GLU A 5 -2.800 10.756 1.688 1.00 0.00 N ATOM 66 CA GLU A 5 -2.436 9.667 2.589 1.00 0.00 C ATOM 67 C GLU A 5 -1.468 8.709 1.916 1.00 0.00 C ATOM 68 O GLU A 5 -0.415 8.379 2.462 1.00 0.00 O ATOM 69 CB GLU A 5 -3.691 8.925 3.059 1.00 0.00 C ATOM 70 CG GLU A 5 -4.367 8.063 2.008 1.00 0.00 C ATOM 71 CD GLU A 5 -5.724 7.570 2.470 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.775 6.525 3.151 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.735 8.229 2.151 1.00 0.00 O ATOM 0 H GLU A 5 -3.752 10.704 1.325 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.937 10.093 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.424 8.293 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.411 9.658 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.483 8.636 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.731 7.209 1.774 1.00 0.00 H new ATOM 80 N VAL A 6 -1.818 8.302 0.712 1.00 0.00 N ATOM 81 CA VAL A 6 -0.985 7.383 -0.062 1.00 0.00 C ATOM 82 C VAL A 6 0.456 7.887 -0.163 1.00 0.00 C ATOM 83 O VAL A 6 1.398 7.129 0.066 1.00 0.00 O ATOM 84 CB VAL A 6 -1.560 7.159 -1.475 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.641 6.273 -2.309 1.00 0.00 C ATOM 86 CG2 VAL A 6 -2.950 6.558 -1.376 1.00 0.00 C ATOM 0 H VAL A 6 -2.676 8.591 0.241 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.984 6.431 0.469 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.629 8.123 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.072 6.133 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.336 6.748 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.529 5.305 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.351 6.402 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.897 5.603 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.602 7.237 -0.826 1.00 0.00 H new ATOM 96 N LEU A 7 0.632 9.157 -0.518 1.00 0.00 N ATOM 97 CA LEU A 7 1.976 9.717 -0.628 1.00 0.00 C ATOM 98 C LEU A 7 2.644 9.752 0.739 1.00 0.00 C ATOM 99 O LEU A 7 3.830 9.450 0.867 1.00 0.00 O ATOM 100 CB LEU A 7 1.953 11.108 -1.264 1.00 0.00 C ATOM 101 CG LEU A 7 2.652 11.203 -2.628 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.158 11.324 -2.447 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.314 9.996 -3.498 1.00 0.00 C ATOM 0 H LEU A 7 -0.124 9.808 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 7 2.560 9.072 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.916 11.422 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.425 11.813 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 7 2.290 12.098 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.638 11.390 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.384 12.221 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.532 10.448 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.821 10.087 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.642 9.084 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.237 9.954 -3.659 1.00 0.00 H new ATOM 115 N VAL A 8 1.869 10.072 1.769 1.00 0.00 N ATOM 116 CA VAL A 8 2.381 10.029 3.129 1.00 0.00 C ATOM 117 C VAL A 8 2.804 8.602 3.440 1.00 0.00 C ATOM 118 O VAL A 8 3.881 8.352 3.991 1.00 0.00 O ATOM 119 CB VAL A 8 1.321 10.480 4.151 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.839 10.316 5.574 1.00 0.00 C ATOM 121 CG2 VAL A 8 0.904 11.915 3.888 1.00 0.00 C ATOM 0 H VAL A 8 0.894 10.361 1.688 1.00 0.00 H new ATOM 0 HA VAL A 8 3.227 10.713 3.204 1.00 0.00 H new ATOM 0 HB VAL A 8 0.443 9.845 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.074 10.641 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.079 9.268 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.735 10.922 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.155 12.216 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.773 12.567 3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.484 11.994 2.885 1.00 0.00 H new ATOM 131 N HIS A 9 1.952 7.668 3.038 1.00 0.00 N ATOM 132 CA HIS A 9 2.239 6.257 3.201 1.00 0.00 C ATOM 133 C HIS A 9 3.559 5.930 2.523 1.00 0.00 C ATOM 134 O HIS A 9 4.337 5.110 3.011 1.00 0.00 O ATOM 135 CB HIS A 9 1.105 5.413 2.614 1.00 0.00 C ATOM 136 CG HIS A 9 -0.234 5.727 3.205 1.00 0.00 C ATOM 137 ND1 HIS A 9 -0.392 6.271 4.463 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.483 5.584 2.700 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.680 6.443 4.708 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.360 6.037 3.654 1.00 0.00 N ATOM 0 H HIS A 9 1.055 7.868 2.596 1.00 0.00 H new ATOM 0 HA HIS A 9 2.318 6.024 4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.065 5.571 1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.327 4.358 2.774 1.00 0.00 H new ATOM 0 HD1 HIS A 9 0.366 6.504 5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.740 5.188 1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.103 6.847 5.616 1.00 0.00 H new ATOM 149 N VAL A 10 3.824 6.609 1.406 1.00 0.00 N ATOM 150 CA VAL A 10 5.086 6.442 0.705 1.00 0.00 C ATOM 151 C VAL A 10 6.224 6.940 1.578 1.00 0.00 C ATOM 152 O VAL A 10 7.343 6.456 1.482 1.00 0.00 O ATOM 153 CB VAL A 10 5.134 7.180 -0.647 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.470 6.928 -1.334 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.983 6.754 -1.543 1.00 0.00 C ATOM 0 H VAL A 10 3.183 7.274 0.974 1.00 0.00 H new ATOM 0 HA VAL A 10 5.187 5.377 0.497 1.00 0.00 H new ATOM 0 HB VAL A 10 5.032 8.249 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.493 7.454 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.279 7.290 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.595 5.859 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.041 7.290 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.044 5.682 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.037 6.984 -1.054 1.00 0.00 H new ATOM 165 N LYS A 11 5.944 7.952 2.394 1.00 0.00 N ATOM 166 CA LYS A 11 6.943 8.473 3.315 1.00 0.00 C ATOM 167 C LYS A 11 7.464 7.339 4.188 1.00 0.00 C ATOM 168 O LYS A 11 8.672 7.137 4.316 1.00 0.00 O ATOM 169 CB LYS A 11 6.340 9.574 4.189 1.00 0.00 C ATOM 170 CG LYS A 11 7.370 10.539 4.753 1.00 0.00 C ATOM 171 CD LYS A 11 6.709 11.685 5.500 1.00 0.00 C ATOM 172 CE LYS A 11 7.395 11.957 6.828 1.00 0.00 C ATOM 173 NZ LYS A 11 6.908 13.215 7.460 1.00 0.00 N ATOM 0 H LYS A 11 5.040 8.423 2.435 1.00 0.00 H new ATOM 0 HA LYS A 11 7.767 8.900 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.613 10.135 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.796 9.114 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.041 10.004 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.981 10.936 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.736 12.585 4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.659 11.449 5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.220 11.120 7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.472 12.022 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.401 13.363 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.097 14.018 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.885 13.144 7.632 1.00 0.00 H new ATOM 187 N ASN A 12 6.533 6.561 4.731 1.00 0.00 N ATOM 188 CA ASN A 12 6.876 5.398 5.530 1.00 0.00 C ATOM 189 C ASN A 12 7.538 4.349 4.651 1.00 0.00 C ATOM 190 O ASN A 12 8.614 3.839 4.962 1.00 0.00 O ATOM 191 CB ASN A 12 5.611 4.820 6.160 1.00 0.00 C ATOM 192 CG ASN A 12 4.670 5.894 6.669 1.00 0.00 C ATOM 193 OD1 ASN A 12 4.285 6.800 5.929 1.00 0.00 O ATOM 194 ND2 ASN A 12 4.296 5.801 7.939 1.00 0.00 N ATOM 0 H ASN A 12 5.531 6.719 4.629 1.00 0.00 H new ATOM 0 HA ASN A 12 7.569 5.693 6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.091 4.206 5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.888 4.164 6.985 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.665 6.497 8.337 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.639 5.034 8.517 1.00 0.00 H new ATOM 201 N LEU A 13 6.891 4.069 3.528 1.00 0.00 N ATOM 202 CA LEU A 13 7.410 3.138 2.538 1.00 0.00 C ATOM 203 C LEU A 13 8.850 3.518 2.184 1.00 0.00 C ATOM 204 O LEU A 13 9.731 2.666 2.096 1.00 0.00 O ATOM 205 CB LEU A 13 6.492 3.198 1.310 1.00 0.00 C ATOM 206 CG LEU A 13 6.649 2.104 0.246 1.00 0.00 C ATOM 207 CD1 LEU A 13 5.989 2.535 -1.051 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.098 1.816 -0.010 1.00 0.00 C ATOM 0 H LEU A 13 5.992 4.481 3.279 1.00 0.00 H new ATOM 0 HA LEU A 13 7.426 2.119 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.460 3.178 1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.644 4.162 0.824 1.00 0.00 H new ATOM 0 HG LEU A 13 6.167 1.200 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.107 1.750 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.928 2.714 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.457 3.451 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.186 1.037 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.592 2.722 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.571 1.479 0.913 1.00 0.00 H new ATOM 220 N GLU A 14 9.077 4.816 2.049 1.00 0.00 N ATOM 221 CA GLU A 14 10.391 5.363 1.734 1.00 0.00 C ATOM 222 C GLU A 14 11.431 4.920 2.751 1.00 0.00 C ATOM 223 O GLU A 14 12.527 4.495 2.392 1.00 0.00 O ATOM 224 CB GLU A 14 10.313 6.888 1.699 1.00 0.00 C ATOM 225 CG GLU A 14 10.191 7.458 0.296 1.00 0.00 C ATOM 226 CD GLU A 14 9.727 8.900 0.291 1.00 0.00 C ATOM 227 OE1 GLU A 14 10.011 9.619 1.271 1.00 0.00 O ATOM 228 OE2 GLU A 14 9.080 9.312 -0.695 1.00 0.00 O ATOM 0 H GLU A 14 8.351 5.525 2.155 1.00 0.00 H new ATOM 0 HA GLU A 14 10.695 4.987 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.457 7.213 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.203 7.300 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.156 7.389 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.490 6.853 -0.278 1.00 0.00 H new ATOM 235 N LYS A 15 11.084 5.029 4.022 1.00 0.00 N ATOM 236 CA LYS A 15 11.990 4.642 5.088 1.00 0.00 C ATOM 237 C LYS A 15 12.346 3.162 4.989 1.00 0.00 C ATOM 238 O LYS A 15 13.489 2.764 5.215 1.00 0.00 O ATOM 239 CB LYS A 15 11.347 4.935 6.441 1.00 0.00 C ATOM 240 CG LYS A 15 11.500 6.379 6.883 1.00 0.00 C ATOM 241 CD LYS A 15 11.393 6.517 8.393 1.00 0.00 C ATOM 242 CE LYS A 15 12.751 6.379 9.063 1.00 0.00 C ATOM 243 NZ LYS A 15 13.315 7.701 9.453 1.00 0.00 N ATOM 0 H LYS A 15 10.182 5.382 4.340 1.00 0.00 H new ATOM 0 HA LYS A 15 12.908 5.221 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.286 4.689 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.791 4.284 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.465 6.762 6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.733 6.989 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.961 7.486 8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.715 5.757 8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.657 5.749 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.441 5.876 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.241 7.563 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.429 8.293 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.670 8.171 10.120 1.00 0.00 H new ATOM 257 N ASN A 16 11.350 2.356 4.647 1.00 0.00 N ATOM 258 CA ASN A 16 11.519 0.910 4.523 1.00 0.00 C ATOM 259 C ASN A 16 12.040 0.509 3.141 1.00 0.00 C ATOM 260 O ASN A 16 12.496 -0.616 2.944 1.00 0.00 O ATOM 261 CB ASN A 16 10.179 0.218 4.789 1.00 0.00 C ATOM 262 CG ASN A 16 9.782 0.289 6.250 1.00 0.00 C ATOM 263 OD1 ASN A 16 8.712 0.790 6.591 1.00 0.00 O ATOM 264 ND2 ASN A 16 10.650 -0.206 7.124 1.00 0.00 N ATOM 0 H ASN A 16 10.404 2.682 4.448 1.00 0.00 H new ATOM 0 HA ASN A 16 12.260 0.596 5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.404 0.683 4.180 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.243 -0.826 4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.440 -0.180 8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.527 -0.613 6.798 1.00 0.00 H new ATOM 271 N LYS A 17 11.912 1.419 2.180 1.00 0.00 N ATOM 272 CA LYS A 17 12.252 1.150 0.788 1.00 0.00 C ATOM 273 C LYS A 17 13.589 0.456 0.579 1.00 0.00 C ATOM 274 O LYS A 17 14.554 1.083 0.142 1.00 0.00 O ATOM 275 CB LYS A 17 12.271 2.447 -0.019 1.00 0.00 C ATOM 276 CG LYS A 17 10.935 2.826 -0.623 1.00 0.00 C ATOM 277 CD LYS A 17 11.106 3.726 -1.837 1.00 0.00 C ATOM 278 CE LYS A 17 10.393 5.055 -1.653 1.00 0.00 C ATOM 279 NZ LYS A 17 9.907 5.611 -2.947 1.00 0.00 N ATOM 0 H LYS A 17 11.569 2.365 2.346 1.00 0.00 H new ATOM 0 HA LYS A 17 11.474 0.468 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.607 3.258 0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.004 2.352 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.396 1.924 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.328 3.335 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.167 3.903 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.716 3.223 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.549 4.923 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.071 5.768 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.644 6.609 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.661 5.541 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.077 5.072 -3.266 1.00 0.00 H new ATOM 293 N SER A 18 13.597 -0.860 0.698 1.00 0.00 N ATOM 294 CA SER A 18 14.742 -1.635 0.270 1.00 0.00 C ATOM 295 C SER A 18 14.772 -1.561 -1.256 1.00 0.00 C ATOM 296 O SER A 18 15.829 -1.448 -1.875 1.00 0.00 O ATOM 297 CB SER A 18 14.632 -3.087 0.738 1.00 0.00 C ATOM 298 OG SER A 18 15.803 -3.492 1.427 1.00 0.00 O ATOM 0 H SER A 18 12.829 -1.408 1.085 1.00 0.00 H new ATOM 0 HA SER A 18 15.660 -1.237 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.766 -3.197 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.469 -3.738 -0.121 1.00 0.00 H new ATOM 0 HG SER A 18 15.706 -4.423 1.717 1.00 0.00 H new ATOM 304 N ASN A 19 13.564 -1.521 -1.832 1.00 0.00 N ATOM 305 CA ASN A 19 13.363 -1.318 -3.260 1.00 0.00 C ATOM 306 C ASN A 19 12.827 0.087 -3.474 1.00 0.00 C ATOM 307 O ASN A 19 11.781 0.428 -2.939 1.00 0.00 O ATOM 308 CB ASN A 19 12.342 -2.320 -3.798 1.00 0.00 C ATOM 309 CG ASN A 19 12.909 -3.189 -4.902 1.00 0.00 C ATOM 310 OD1 ASN A 19 12.496 -3.093 -6.058 1.00 0.00 O ATOM 311 ND2 ASN A 19 13.862 -4.045 -4.550 1.00 0.00 N ATOM 0 H ASN A 19 12.695 -1.630 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 19 14.309 -1.457 -3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.996 -2.954 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.472 -1.781 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.282 -4.657 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.174 -4.091 -3.580 1.00 0.00 H new ATOM 318 N ASP A 20 13.592 0.942 -4.120 1.00 0.00 N ATOM 319 CA ASP A 20 13.149 2.313 -4.303 1.00 0.00 C ATOM 320 C ASP A 20 12.045 2.458 -5.353 1.00 0.00 C ATOM 321 O ASP A 20 10.951 2.936 -5.056 1.00 0.00 O ATOM 322 CB ASP A 20 14.334 3.200 -4.687 1.00 0.00 C ATOM 323 CG ASP A 20 15.498 3.059 -3.726 1.00 0.00 C ATOM 324 OD1 ASP A 20 15.249 2.829 -2.524 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.657 3.179 -4.176 1.00 0.00 O ATOM 0 H ASP A 20 14.504 0.722 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 20 12.727 2.630 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.665 2.944 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.012 4.241 -4.713 1.00 0.00 H new ATOM 330 N ALA A 21 12.362 2.082 -6.587 1.00 0.00 N ATOM 331 CA ALA A 21 11.465 2.298 -7.720 1.00 0.00 C ATOM 332 C ALA A 21 10.219 1.408 -7.742 1.00 0.00 C ATOM 333 O ALA A 21 9.119 1.900 -7.996 1.00 0.00 O ATOM 334 CB ALA A 21 12.237 2.151 -9.018 1.00 0.00 C ATOM 0 H ALA A 21 13.240 1.623 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 21 11.085 3.313 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.565 2.313 -9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.041 2.886 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.660 1.148 -9.078 1.00 0.00 H new ATOM 340 N ALA A 22 10.379 0.100 -7.549 1.00 0.00 N ATOM 341 CA ALA A 22 9.242 -0.812 -7.681 1.00 0.00 C ATOM 342 C ALA A 22 8.078 -0.372 -6.815 1.00 0.00 C ATOM 343 O ALA A 22 7.038 0.025 -7.325 1.00 0.00 O ATOM 344 CB ALA A 22 9.650 -2.231 -7.326 1.00 0.00 C ATOM 0 H ALA A 22 11.264 -0.346 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 22 8.919 -0.788 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.791 -2.894 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.445 -2.559 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.008 -2.260 -6.297 1.00 0.00 H new ATOM 350 N VAL A 23 8.299 -0.311 -5.523 1.00 0.00 N ATOM 351 CA VAL A 23 7.271 0.138 -4.606 1.00 0.00 C ATOM 352 C VAL A 23 6.870 1.570 -4.926 1.00 0.00 C ATOM 353 O VAL A 23 5.691 1.899 -4.968 1.00 0.00 O ATOM 354 CB VAL A 23 7.767 0.050 -3.158 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.814 -1.404 -2.726 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.142 0.693 -3.042 1.00 0.00 C ATOM 0 H VAL A 23 9.182 -0.566 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 23 6.402 -0.510 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 23 7.081 0.587 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.167 -1.466 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.816 -1.836 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.493 -1.955 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.489 0.627 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.843 0.173 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.080 1.740 -3.338 1.00 0.00 H new ATOM 366 N LEU A 24 7.865 2.401 -5.206 1.00 0.00 N ATOM 367 CA LEU A 24 7.624 3.796 -5.544 1.00 0.00 C ATOM 368 C LEU A 24 6.633 3.917 -6.697 1.00 0.00 C ATOM 369 O LEU A 24 5.622 4.612 -6.591 1.00 0.00 O ATOM 370 CB LEU A 24 8.941 4.460 -5.935 1.00 0.00 C ATOM 371 CG LEU A 24 8.807 5.820 -6.627 1.00 0.00 C ATOM 372 CD1 LEU A 24 9.488 6.897 -5.807 1.00 0.00 C ATOM 373 CD2 LEU A 24 9.383 5.766 -8.033 1.00 0.00 C ATOM 0 H LEU A 24 8.849 2.132 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 24 7.200 4.293 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.546 4.585 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.487 3.786 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 24 7.748 6.066 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.385 7.858 -6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.024 6.952 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.546 6.657 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.278 6.742 -8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.438 5.498 -7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.846 5.019 -8.618 1.00 0.00 H new ATOM 385 N GLU A 25 6.937 3.245 -7.801 1.00 0.00 N ATOM 386 CA GLU A 25 6.077 3.286 -8.975 1.00 0.00 C ATOM 387 C GLU A 25 4.846 2.427 -8.755 1.00 0.00 C ATOM 388 O GLU A 25 3.750 2.762 -9.204 1.00 0.00 O ATOM 389 CB GLU A 25 6.841 2.813 -10.212 1.00 0.00 C ATOM 390 CG GLU A 25 7.097 3.924 -11.215 1.00 0.00 C ATOM 391 CD GLU A 25 8.506 3.895 -11.773 1.00 0.00 C ATOM 392 OE1 GLU A 25 8.793 3.020 -12.616 1.00 0.00 O ATOM 393 OE2 GLU A 25 9.323 4.748 -11.367 1.00 0.00 O ATOM 0 H GLU A 25 7.771 2.667 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 25 5.759 4.316 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.794 2.385 -9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.277 2.016 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.384 3.839 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.920 4.887 -10.737 1.00 0.00 H new ATOM 400 N ILE A 26 5.033 1.327 -8.041 1.00 0.00 N ATOM 401 CA ILE A 26 3.928 0.441 -7.713 1.00 0.00 C ATOM 402 C ILE A 26 2.888 1.205 -6.913 1.00 0.00 C ATOM 403 O ILE A 26 1.703 1.160 -7.234 1.00 0.00 O ATOM 404 CB ILE A 26 4.407 -0.823 -6.935 1.00 0.00 C ATOM 405 CG1 ILE A 26 5.073 -1.818 -7.892 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.256 -1.514 -6.206 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.729 -2.986 -7.186 1.00 0.00 C ATOM 0 H ILE A 26 5.938 1.028 -7.679 1.00 0.00 H new ATOM 0 HA ILE A 26 3.483 0.089 -8.644 1.00 0.00 H new ATOM 0 HB ILE A 26 5.129 -0.488 -6.190 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.325 -2.198 -8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.823 -1.294 -8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.633 -2.389 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.811 -0.822 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.502 -1.824 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.180 -3.650 -7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.500 -2.616 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.979 -3.534 -6.615 1.00 0.00 H new ATOM 419 N LEU A 27 3.343 1.933 -5.900 1.00 0.00 N ATOM 420 CA LEU A 27 2.436 2.673 -5.038 1.00 0.00 C ATOM 421 C LEU A 27 1.767 3.831 -5.770 1.00 0.00 C ATOM 422 O LEU A 27 0.558 4.031 -5.656 1.00 0.00 O ATOM 423 CB LEU A 27 3.163 3.207 -3.804 1.00 0.00 C ATOM 424 CG LEU A 27 2.500 2.866 -2.473 1.00 0.00 C ATOM 425 CD1 LEU A 27 3.119 3.682 -1.356 1.00 0.00 C ATOM 426 CD2 LEU A 27 0.999 3.110 -2.545 1.00 0.00 C ATOM 0 H LEU A 27 4.330 2.025 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 27 1.663 1.971 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.179 2.812 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.242 4.291 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 27 2.664 1.809 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.637 3.430 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.184 3.460 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.981 4.744 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.544 2.861 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.811 4.159 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.566 2.485 -3.326 1.00 0.00 H new ATOM 438 N HIS A 28 2.559 4.603 -6.504 1.00 0.00 N ATOM 439 CA HIS A 28 2.037 5.758 -7.224 1.00 0.00 C ATOM 440 C HIS A 28 0.841 5.358 -8.075 1.00 0.00 C ATOM 441 O HIS A 28 -0.245 5.925 -7.945 1.00 0.00 O ATOM 442 CB HIS A 28 3.128 6.358 -8.114 1.00 0.00 C ATOM 443 CG HIS A 28 2.804 7.728 -8.622 1.00 0.00 C ATOM 444 ND1 HIS A 28 3.745 8.731 -8.735 1.00 0.00 N ATOM 445 CD2 HIS A 28 1.636 8.260 -9.053 1.00 0.00 C ATOM 446 CE1 HIS A 28 3.167 9.821 -9.210 1.00 0.00 C ATOM 447 NE2 HIS A 28 1.890 9.560 -9.412 1.00 0.00 N ATOM 0 H HIS A 28 3.561 4.451 -6.616 1.00 0.00 H new ATOM 0 HA HIS A 28 1.717 6.504 -6.496 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.061 6.400 -7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.297 5.696 -8.963 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.682 7.756 -9.105 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.657 10.764 -9.400 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.202 10.219 -9.777 1.00 0.00 H new ATOM 456 N VAL A 29 1.039 4.360 -8.927 1.00 0.00 N ATOM 457 CA VAL A 29 -0.037 3.857 -9.772 1.00 0.00 C ATOM 458 C VAL A 29 -1.081 3.140 -8.929 1.00 0.00 C ATOM 459 O VAL A 29 -2.274 3.188 -9.226 1.00 0.00 O ATOM 460 CB VAL A 29 0.497 2.898 -10.850 1.00 0.00 C ATOM 461 CG1 VAL A 29 1.279 1.760 -10.212 1.00 0.00 C ATOM 462 CG2 VAL A 29 -0.641 2.362 -11.706 1.00 0.00 C ATOM 0 H VAL A 29 1.932 3.884 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.493 4.714 -10.267 1.00 0.00 H new ATOM 0 HB VAL A 29 1.174 3.454 -11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.649 1.092 -10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.121 2.166 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.628 1.205 -9.536 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.241 1.686 -12.462 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.348 1.823 -11.075 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.151 3.192 -12.195 1.00 0.00 H new ATOM 472 N LEU A 30 -0.624 2.491 -7.862 1.00 0.00 N ATOM 473 CA LEU A 30 -1.524 1.787 -6.955 1.00 0.00 C ATOM 474 C LEU A 30 -2.663 2.696 -6.531 1.00 0.00 C ATOM 475 O LEU A 30 -3.791 2.248 -6.369 1.00 0.00 O ATOM 476 CB LEU A 30 -0.766 1.295 -5.705 1.00 0.00 C ATOM 477 CG LEU A 30 -0.734 -0.228 -5.425 1.00 0.00 C ATOM 478 CD1 LEU A 30 -1.253 -1.051 -6.596 1.00 0.00 C ATOM 479 CD2 LEU A 30 0.680 -0.670 -5.055 1.00 0.00 C ATOM 0 H LEU A 30 0.362 2.438 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.929 0.924 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.264 1.642 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.203 1.785 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.404 -0.410 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.208 -2.111 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.285 -0.772 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.638 -0.860 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.687 -1.743 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.358 -0.446 -5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.005 -0.138 -4.161 1.00 0.00 H new ATOM 491 N ASP A 31 -2.376 3.993 -6.468 1.00 0.00 N ATOM 492 CA ASP A 31 -3.358 4.980 -6.041 1.00 0.00 C ATOM 493 C ASP A 31 -4.677 4.781 -6.774 1.00 0.00 C ATOM 494 O ASP A 31 -5.746 5.100 -6.253 1.00 0.00 O ATOM 495 CB ASP A 31 -2.825 6.379 -6.316 1.00 0.00 C ATOM 496 CG ASP A 31 -3.187 7.367 -5.225 1.00 0.00 C ATOM 497 OD1 ASP A 31 -4.049 7.034 -4.385 1.00 0.00 O ATOM 498 OD2 ASP A 31 -2.609 8.474 -5.211 1.00 0.00 O ATOM 0 H ASP A 31 -1.466 4.385 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.535 4.856 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.741 6.337 -6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.221 6.734 -7.268 1.00 0.00 H new ATOM 503 N LYS A 32 -4.600 4.195 -7.962 1.00 0.00 N ATOM 504 CA LYS A 32 -5.790 3.891 -8.739 1.00 0.00 C ATOM 505 C LYS A 32 -6.631 2.842 -8.010 1.00 0.00 C ATOM 506 O LYS A 32 -7.780 3.095 -7.649 1.00 0.00 O ATOM 507 CB LYS A 32 -5.378 3.395 -10.132 1.00 0.00 C ATOM 508 CG LYS A 32 -6.486 2.714 -10.925 1.00 0.00 C ATOM 509 CD LYS A 32 -5.933 1.592 -11.787 1.00 0.00 C ATOM 510 CE LYS A 32 -6.059 0.247 -11.089 1.00 0.00 C ATOM 511 NZ LYS A 32 -6.499 -0.826 -12.022 1.00 0.00 N ATOM 0 H LYS A 32 -3.724 3.921 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.394 4.791 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.007 4.243 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.548 2.697 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.235 2.315 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.989 3.447 -11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.467 1.563 -12.737 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.886 1.789 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.099 -0.025 -10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.772 0.329 -10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.378 -1.753 -11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.501 -0.687 -12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.926 -0.789 -12.889 1.00 0.00 H new ATOM 525 N GLU A 33 -6.045 1.666 -7.796 1.00 0.00 N ATOM 526 CA GLU A 33 -6.724 0.580 -7.093 1.00 0.00 C ATOM 527 C GLU A 33 -6.189 0.427 -5.671 1.00 0.00 C ATOM 528 O GLU A 33 -6.147 -0.679 -5.132 1.00 0.00 O ATOM 529 CB GLU A 33 -6.544 -0.731 -7.854 1.00 0.00 C ATOM 530 CG GLU A 33 -7.854 -1.397 -8.242 1.00 0.00 C ATOM 531 CD GLU A 33 -7.923 -1.735 -9.718 1.00 0.00 C ATOM 532 OE1 GLU A 33 -7.133 -2.592 -10.168 1.00 0.00 O ATOM 533 OE2 GLU A 33 -8.765 -1.143 -10.424 1.00 0.00 O ATOM 0 H GLU A 33 -5.098 1.440 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.785 0.825 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.962 -0.540 -8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.964 -1.420 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.980 -2.309 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.683 -0.737 -7.985 1.00 0.00 H new ATOM 540 N PHE A 34 -5.789 1.537 -5.068 1.00 0.00 N ATOM 541 CA PHE A 34 -5.184 1.514 -3.747 1.00 0.00 C ATOM 542 C PHE A 34 -6.208 1.345 -2.625 1.00 0.00 C ATOM 543 O PHE A 34 -7.420 1.380 -2.836 1.00 0.00 O ATOM 544 CB PHE A 34 -4.322 2.753 -3.502 1.00 0.00 C ATOM 545 CG PHE A 34 -3.167 2.475 -2.573 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.404 1.327 -2.727 1.00 0.00 C ATOM 547 CD2 PHE A 34 -2.890 3.318 -1.510 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.370 1.043 -1.858 1.00 0.00 C ATOM 549 CE2 PHE A 34 -1.856 3.038 -0.636 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.094 1.900 -0.811 1.00 0.00 C ATOM 0 H PHE A 34 -5.874 2.468 -5.476 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.541 0.634 -3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.939 3.120 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.941 3.545 -3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.622 0.647 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.489 4.205 -1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.777 0.151 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.644 3.709 0.183 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.284 1.681 -0.131 1.00 0.00 H new ATOM 560 N VAL A 35 -5.664 1.120 -1.436 1.00 0.00 N ATOM 561 CA VAL A 35 -6.408 0.796 -0.224 1.00 0.00 C ATOM 562 C VAL A 35 -7.025 1.985 0.570 1.00 0.00 C ATOM 563 O VAL A 35 -7.613 1.752 1.620 1.00 0.00 O ATOM 564 CB VAL A 35 -5.413 0.061 0.701 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.321 1.016 1.144 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.079 -0.617 1.886 1.00 0.00 C ATOM 0 H VAL A 35 -4.656 1.159 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.273 0.214 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.968 -0.747 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.622 0.492 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.789 1.392 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.766 1.851 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.322 -1.114 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.596 0.130 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.797 -1.354 1.527 1.00 0.00 H new ATOM 576 N PRO A 36 -6.920 3.265 0.144 1.00 0.00 N ATOM 577 CA PRO A 36 -7.456 4.378 0.932 1.00 0.00 C ATOM 578 C PRO A 36 -8.883 4.781 0.589 1.00 0.00 C ATOM 579 O PRO A 36 -9.101 5.746 -0.145 1.00 0.00 O ATOM 580 CB PRO A 36 -6.509 5.508 0.575 1.00 0.00 C ATOM 581 CG PRO A 36 -6.122 5.245 -0.837 1.00 0.00 C ATOM 582 CD PRO A 36 -6.239 3.759 -1.060 1.00 0.00 C ATOM 0 HA PRO A 36 -7.511 4.113 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.994 6.479 0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.637 5.516 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.772 5.789 -1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.103 5.584 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.811 3.536 -1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.260 3.296 -1.181 1.00 0.00 H new ATOM 590 N THR A 37 -9.855 4.101 1.183 1.00 0.00 N ATOM 591 CA THR A 37 -11.251 4.492 1.017 1.00 0.00 C ATOM 592 C THR A 37 -11.874 4.724 2.392 1.00 0.00 C ATOM 593 O THR A 37 -11.176 4.670 3.404 1.00 0.00 O ATOM 594 CB THR A 37 -12.052 3.464 0.210 1.00 0.00 C ATOM 595 OG1 THR A 37 -12.769 2.592 1.065 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.205 2.622 -0.726 1.00 0.00 C ATOM 0 H THR A 37 -9.707 3.285 1.777 1.00 0.00 H new ATOM 0 HA THR A 37 -11.282 5.418 0.443 1.00 0.00 H new ATOM 0 HB THR A 37 -12.734 4.057 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.273 1.947 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.843 1.919 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.699 3.270 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.463 2.071 -0.148 1.00 0.00 H new ATOM 604 N GLU A 38 -13.175 4.989 2.440 1.00 0.00 N ATOM 605 CA GLU A 38 -13.833 5.244 3.717 1.00 0.00 C ATOM 606 C GLU A 38 -13.540 4.119 4.707 1.00 0.00 C ATOM 607 O GLU A 38 -12.946 4.346 5.762 1.00 0.00 O ATOM 608 CB GLU A 38 -15.343 5.384 3.517 1.00 0.00 C ATOM 609 CG GLU A 38 -15.722 6.387 2.439 1.00 0.00 C ATOM 610 CD GLU A 38 -17.070 7.033 2.690 1.00 0.00 C ATOM 611 OE1 GLU A 38 -17.871 6.457 3.456 1.00 0.00 O ATOM 612 OE2 GLU A 38 -17.325 8.115 2.121 1.00 0.00 O ATOM 0 H GLU A 38 -13.786 5.033 1.625 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.441 6.176 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.759 4.410 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.800 5.686 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.957 7.162 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.738 5.886 1.471 1.00 0.00 H new ATOM 619 N LYS A 39 -13.933 2.903 4.347 1.00 0.00 N ATOM 620 CA LYS A 39 -13.659 1.730 5.170 1.00 0.00 C ATOM 621 C LYS A 39 -12.231 1.241 4.953 1.00 0.00 C ATOM 622 O LYS A 39 -11.493 0.972 5.901 1.00 0.00 O ATOM 623 CB LYS A 39 -14.650 0.612 4.844 1.00 0.00 C ATOM 624 CG LYS A 39 -16.104 1.048 4.924 1.00 0.00 C ATOM 625 CD LYS A 39 -17.050 -0.101 4.610 1.00 0.00 C ATOM 626 CE LYS A 39 -17.842 0.159 3.337 1.00 0.00 C ATOM 627 NZ LYS A 39 -18.878 1.211 3.533 1.00 0.00 N ATOM 0 H LYS A 39 -14.444 2.703 3.487 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.773 2.012 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.446 0.238 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.489 -0.217 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.315 1.432 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.279 1.866 4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.480 -1.024 4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.737 -0.246 5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.161 0.463 2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.320 -0.765 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.396 1.359 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.543 0.910 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.420 2.100 3.819 1.00 0.00 H new ATOM 641 N LEU A 40 -11.870 1.110 3.682 1.00 0.00 N ATOM 642 CA LEU A 40 -10.560 0.614 3.276 1.00 0.00 C ATOM 643 C LEU A 40 -9.414 1.422 3.889 1.00 0.00 C ATOM 644 O LEU A 40 -8.307 0.909 4.047 1.00 0.00 O ATOM 645 CB LEU A 40 -10.469 0.659 1.749 1.00 0.00 C ATOM 646 CG LEU A 40 -10.166 -0.661 1.045 1.00 0.00 C ATOM 647 CD1 LEU A 40 -9.719 -0.394 -0.386 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.112 -1.439 1.800 1.00 0.00 C ATOM 0 H LEU A 40 -12.481 1.346 2.900 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.458 -0.409 3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.413 1.043 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.696 1.377 1.474 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.074 -1.264 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.504 -1.340 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.512 0.126 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.821 0.223 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.911 -2.376 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.196 -0.851 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.469 -1.651 2.808 1.00 0.00 H new ATOM 660 N LEU A 41 -9.662 2.692 4.208 1.00 0.00 N ATOM 661 CA LEU A 41 -8.621 3.539 4.791 1.00 0.00 C ATOM 662 C LEU A 41 -7.959 2.833 5.970 1.00 0.00 C ATOM 663 O LEU A 41 -6.740 2.695 6.012 1.00 0.00 O ATOM 664 CB LEU A 41 -9.204 4.883 5.224 1.00 0.00 C ATOM 665 CG LEU A 41 -8.340 5.700 6.193 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.537 5.204 7.616 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.872 5.633 5.796 1.00 0.00 C ATOM 0 H LEU A 41 -10.562 3.153 4.075 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.861 3.726 4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.386 5.484 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.173 4.705 5.691 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.654 6.743 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.919 5.791 8.295 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.585 5.310 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.249 4.155 7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.278 6.220 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.537 4.596 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.748 6.035 4.791 1.00 0.00 H new ATOM 679 N ARG A 42 -8.759 2.303 6.886 1.00 0.00 N ATOM 680 CA ARG A 42 -8.199 1.521 7.986 1.00 0.00 C ATOM 681 C ARG A 42 -7.381 0.371 7.401 1.00 0.00 C ATOM 682 O ARG A 42 -6.281 0.041 7.871 1.00 0.00 O ATOM 683 CB ARG A 42 -9.306 0.989 8.902 1.00 0.00 C ATOM 684 CG ARG A 42 -10.092 -0.171 8.311 1.00 0.00 C ATOM 685 CD ARG A 42 -11.519 -0.205 8.830 1.00 0.00 C ATOM 686 NE ARG A 42 -11.673 -1.133 9.948 1.00 0.00 N ATOM 687 CZ ARG A 42 -12.777 -1.221 10.685 1.00 0.00 C ATOM 688 NH1 ARG A 42 -13.816 -0.440 10.422 1.00 0.00 N ATOM 689 NH2 ARG A 42 -12.841 -2.089 11.685 1.00 0.00 N ATOM 0 H ARG A 42 -9.775 2.395 6.894 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.556 2.158 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.862 0.671 9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.995 1.802 9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.102 -0.088 7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.594 -1.110 8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.814 0.796 9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.192 -0.495 8.023 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.891 -1.747 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.769 0.229 9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.662 -0.509 10.988 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.043 -2.690 11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.688 -2.155 12.249 1.00 0.00 H new ATOM 703 N GLU A 43 -7.891 -0.190 6.314 1.00 0.00 N ATOM 704 CA GLU A 43 -7.172 -1.220 5.611 1.00 0.00 C ATOM 705 C GLU A 43 -5.870 -0.640 5.093 1.00 0.00 C ATOM 706 O GLU A 43 -4.857 -1.319 5.052 1.00 0.00 O ATOM 707 CB GLU A 43 -8.002 -1.784 4.470 1.00 0.00 C ATOM 708 CG GLU A 43 -8.470 -3.206 4.717 1.00 0.00 C ATOM 709 CD GLU A 43 -9.968 -3.367 4.545 1.00 0.00 C ATOM 710 OE1 GLU A 43 -10.718 -2.932 5.443 1.00 0.00 O ATOM 711 OE2 GLU A 43 -10.390 -3.929 3.512 1.00 0.00 O ATOM 0 H GLU A 43 -8.795 0.055 5.909 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.960 -2.042 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.871 -1.145 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.414 -1.756 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.955 -3.878 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.190 -3.506 5.727 1.00 0.00 H new ATOM 718 N THR A 44 -5.889 0.647 4.750 1.00 0.00 N ATOM 719 CA THR A 44 -4.672 1.329 4.340 1.00 0.00 C ATOM 720 C THR A 44 -3.672 1.267 5.477 1.00 0.00 C ATOM 721 O THR A 44 -2.464 1.222 5.254 1.00 0.00 O ATOM 722 CB THR A 44 -4.934 2.791 3.931 1.00 0.00 C ATOM 723 OG1 THR A 44 -6.064 2.895 3.079 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.762 3.431 3.207 1.00 0.00 C ATOM 0 H THR A 44 -6.726 1.230 4.749 1.00 0.00 H new ATOM 0 HA THR A 44 -4.273 0.825 3.460 1.00 0.00 H new ATOM 0 HB THR A 44 -5.102 3.317 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.491 2.017 2.993 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.013 4.460 2.947 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.886 3.424 3.855 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.545 2.870 2.298 1.00 0.00 H new ATOM 732 N LYS A 45 -4.187 1.192 6.701 1.00 0.00 N ATOM 733 CA LYS A 45 -3.334 1.026 7.859 1.00 0.00 C ATOM 734 C LYS A 45 -2.544 -0.264 7.705 1.00 0.00 C ATOM 735 O LYS A 45 -1.316 -0.278 7.833 1.00 0.00 O ATOM 736 CB LYS A 45 -4.160 0.995 9.146 1.00 0.00 C ATOM 737 CG LYS A 45 -3.435 1.577 10.348 1.00 0.00 C ATOM 738 CD LYS A 45 -4.320 2.537 11.124 1.00 0.00 C ATOM 739 CE LYS A 45 -3.730 2.864 12.486 1.00 0.00 C ATOM 740 NZ LYS A 45 -4.091 1.843 13.508 1.00 0.00 N ATOM 0 H LYS A 45 -5.184 1.244 6.909 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.650 1.872 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.085 1.549 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.439 -0.036 9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.111 0.769 11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.537 2.097 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.450 3.456 10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.310 2.099 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.645 2.929 12.405 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.085 3.843 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.669 2.103 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.126 1.799 13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.731 0.913 13.212 1.00 0.00 H new ATOM 754 N VAL A 46 -3.242 -1.346 7.356 1.00 0.00 N ATOM 755 CA VAL A 46 -2.552 -2.612 7.118 1.00 0.00 C ATOM 756 C VAL A 46 -1.847 -2.573 5.767 1.00 0.00 C ATOM 757 O VAL A 46 -0.705 -3.012 5.640 1.00 0.00 O ATOM 758 CB VAL A 46 -3.485 -3.835 7.186 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.637 -3.698 6.208 1.00 0.00 C ATOM 760 CG2 VAL A 46 -2.708 -5.115 6.926 1.00 0.00 C ATOM 0 H VAL A 46 -4.254 -1.373 7.235 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.824 -2.727 7.921 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.904 -3.885 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.280 -4.576 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.214 -2.805 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.246 -3.614 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.384 -5.968 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.255 -5.071 5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.926 -5.225 7.678 1.00 0.00 H new ATOM 770 N GLY A 47 -2.516 -1.982 4.779 1.00 0.00 N ATOM 771 CA GLY A 47 -1.920 -1.809 3.470 1.00 0.00 C ATOM 772 C GLY A 47 -0.589 -1.107 3.578 1.00 0.00 C ATOM 773 O GLY A 47 0.347 -1.402 2.836 1.00 0.00 O ATOM 0 H GLY A 47 -3.465 -1.619 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.787 -2.781 2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.590 -1.232 2.833 1.00 0.00 H new ATOM 777 N VAL A 48 -0.501 -0.191 4.540 1.00 0.00 N ATOM 778 CA VAL A 48 0.737 0.518 4.798 1.00 0.00 C ATOM 779 C VAL A 48 1.769 -0.445 5.365 1.00 0.00 C ATOM 780 O VAL A 48 2.943 -0.362 5.040 1.00 0.00 O ATOM 781 CB VAL A 48 0.538 1.701 5.771 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.883 2.261 6.217 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.306 2.788 5.125 1.00 0.00 C ATOM 0 H VAL A 48 -1.275 0.073 5.150 1.00 0.00 H new ATOM 0 HA VAL A 48 1.087 0.927 3.850 1.00 0.00 H new ATOM 0 HB VAL A 48 0.010 1.335 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.721 3.093 6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.453 1.481 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.439 2.610 5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.435 3.613 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.193 3.150 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.282 2.381 4.859 1.00 0.00 H new ATOM 793 N GLU A 49 1.337 -1.341 6.235 1.00 0.00 N ATOM 794 CA GLU A 49 2.259 -2.314 6.797 1.00 0.00 C ATOM 795 C GLU A 49 2.829 -3.179 5.677 1.00 0.00 C ATOM 796 O GLU A 49 4.010 -3.529 5.678 1.00 0.00 O ATOM 797 CB GLU A 49 1.556 -3.177 7.847 1.00 0.00 C ATOM 798 CG GLU A 49 2.249 -3.174 9.199 1.00 0.00 C ATOM 799 CD GLU A 49 2.008 -1.895 9.976 1.00 0.00 C ATOM 800 OE1 GLU A 49 2.004 -0.813 9.353 1.00 0.00 O ATOM 801 OE2 GLU A 49 1.823 -1.975 11.209 1.00 0.00 O ATOM 0 H GLU A 49 0.374 -1.416 6.563 1.00 0.00 H new ATOM 0 HA GLU A 49 3.077 -1.790 7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.533 -2.822 7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.495 -4.202 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.897 -4.023 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.321 -3.310 9.054 1.00 0.00 H new ATOM 808 N VAL A 50 1.986 -3.486 4.699 1.00 0.00 N ATOM 809 CA VAL A 50 2.439 -4.193 3.506 1.00 0.00 C ATOM 810 C VAL A 50 3.309 -3.224 2.708 1.00 0.00 C ATOM 811 O VAL A 50 4.404 -3.563 2.265 1.00 0.00 O ATOM 812 CB VAL A 50 1.268 -4.729 2.621 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.563 -6.142 2.139 1.00 0.00 C ATOM 814 CG2 VAL A 50 -0.067 -4.713 3.350 1.00 0.00 C ATOM 0 H VAL A 50 0.992 -3.259 4.707 1.00 0.00 H new ATOM 0 HA VAL A 50 2.997 -5.077 3.815 1.00 0.00 H new ATOM 0 HB VAL A 50 1.191 -4.056 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.736 -6.497 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.479 -6.141 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.686 -6.801 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.846 -5.095 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.004 -5.341 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.309 -3.692 3.644 1.00 0.00 H new ATOM 824 N ASN A 51 2.865 -1.972 2.662 1.00 0.00 N ATOM 825 CA ASN A 51 3.633 -0.890 2.053 1.00 0.00 C ATOM 826 C ASN A 51 4.999 -0.788 2.710 1.00 0.00 C ATOM 827 O ASN A 51 5.973 -0.370 2.090 1.00 0.00 O ATOM 828 CB ASN A 51 2.888 0.433 2.215 1.00 0.00 C ATOM 829 CG ASN A 51 3.446 1.512 1.332 1.00 0.00 C ATOM 830 OD1 ASN A 51 4.039 1.222 0.301 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.261 2.763 1.744 1.00 0.00 N ATOM 0 H ASN A 51 1.966 -1.679 3.044 1.00 0.00 H new ATOM 0 HA ASN A 51 3.760 -1.104 0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.834 0.285 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.943 0.753 3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.622 3.541 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.758 2.945 2.613 1.00 0.00 H new ATOM 838 N LYS A 52 5.037 -1.106 3.995 1.00 0.00 N ATOM 839 CA LYS A 52 6.268 -1.065 4.754 1.00 0.00 C ATOM 840 C LYS A 52 7.201 -2.170 4.287 1.00 0.00 C ATOM 841 O LYS A 52 8.422 -2.008 4.282 1.00 0.00 O ATOM 842 CB LYS A 52 5.973 -1.223 6.246 1.00 0.00 C ATOM 843 CG LYS A 52 5.863 0.102 6.981 1.00 0.00 C ATOM 844 CD LYS A 52 6.213 -0.042 8.453 1.00 0.00 C ATOM 845 CE LYS A 52 6.057 1.276 9.194 1.00 0.00 C ATOM 846 NZ LYS A 52 4.890 1.260 10.118 1.00 0.00 N ATOM 0 H LYS A 52 4.221 -1.397 4.533 1.00 0.00 H new ATOM 0 HA LYS A 52 6.751 -0.101 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.042 -1.777 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.762 -1.820 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.528 0.831 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.849 0.489 6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.570 -0.795 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.239 -0.397 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.965 1.484 9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.938 2.085 8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.819 2.177 10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.020 1.087 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.015 0.504 10.822 1.00 0.00 H new ATOM 860 N PHE A 53 6.599 -3.293 3.877 1.00 0.00 N ATOM 861 CA PHE A 53 7.335 -4.492 3.456 1.00 0.00 C ATOM 862 C PHE A 53 8.647 -4.640 4.229 1.00 0.00 C ATOM 863 O PHE A 53 9.734 -4.637 3.650 1.00 0.00 O ATOM 864 CB PHE A 53 7.591 -4.525 1.941 1.00 0.00 C ATOM 865 CG PHE A 53 8.134 -3.257 1.353 1.00 0.00 C ATOM 866 CD1 PHE A 53 9.499 -3.070 1.231 1.00 0.00 C ATOM 867 CD2 PHE A 53 7.280 -2.297 0.835 1.00 0.00 C ATOM 868 CE1 PHE A 53 10.002 -1.921 0.658 1.00 0.00 C ATOM 869 CE2 PHE A 53 7.780 -1.141 0.267 1.00 0.00 C ATOM 870 CZ PHE A 53 9.148 -0.960 0.176 1.00 0.00 C ATOM 0 H PHE A 53 5.585 -3.396 3.828 1.00 0.00 H new ATOM 0 HA PHE A 53 6.697 -5.344 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.289 -5.334 1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.656 -4.768 1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.177 -3.831 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.212 -2.454 0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.070 -1.777 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.106 -0.383 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.545 -0.062 -0.274 1.00 0.00 H new ATOM 880 N LYS A 54 8.520 -4.750 5.545 1.00 0.00 N ATOM 881 CA LYS A 54 9.668 -4.859 6.433 1.00 0.00 C ATOM 882 C LYS A 54 10.507 -6.109 6.122 1.00 0.00 C ATOM 883 O LYS A 54 10.603 -6.522 4.966 1.00 0.00 O ATOM 884 CB LYS A 54 9.181 -4.860 7.881 1.00 0.00 C ATOM 885 CG LYS A 54 10.177 -4.240 8.854 1.00 0.00 C ATOM 886 CD LYS A 54 9.952 -2.744 9.016 1.00 0.00 C ATOM 887 CE LYS A 54 8.531 -2.435 9.453 1.00 0.00 C ATOM 888 NZ LYS A 54 8.066 -3.356 10.525 1.00 0.00 N ATOM 0 H LYS A 54 7.620 -4.766 6.025 1.00 0.00 H new ATOM 0 HA LYS A 54 10.321 -4.000 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.239 -4.315 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.976 -5.886 8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.089 -4.728 9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.192 -4.419 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.653 -2.348 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.160 -2.240 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.477 -1.406 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.863 -2.510 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.261 -2.928 11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.770 -4.259 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.841 -3.526 11.197 1.00 0.00 H new ATOM 902 N LYS A 55 11.140 -6.689 7.147 1.00 0.00 N ATOM 903 CA LYS A 55 12.011 -7.845 6.963 1.00 0.00 C ATOM 904 C LYS A 55 11.251 -9.057 6.427 1.00 0.00 C ATOM 905 O LYS A 55 11.374 -9.401 5.251 1.00 0.00 O ATOM 906 CB LYS A 55 12.698 -8.193 8.282 1.00 0.00 C ATOM 907 CG LYS A 55 13.425 -7.014 8.900 1.00 0.00 C ATOM 908 CD LYS A 55 14.590 -6.561 8.035 1.00 0.00 C ATOM 909 CE LYS A 55 14.280 -5.250 7.332 1.00 0.00 C ATOM 910 NZ LYS A 55 15.165 -5.024 6.157 1.00 0.00 N ATOM 0 H LYS A 55 11.062 -6.373 8.114 1.00 0.00 H new ATOM 0 HA LYS A 55 12.762 -7.578 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.953 -8.564 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.408 -9.003 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.728 -6.187 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.791 -7.289 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.480 -6.443 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.816 -7.328 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.239 -5.250 7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.394 -4.426 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.920 -4.119 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.157 -4.998 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.038 -5.797 5.473 1.00 0.00 H new ATOM 924 N SER A 56 10.478 -9.710 7.290 1.00 0.00 N ATOM 925 CA SER A 56 9.718 -10.887 6.883 1.00 0.00 C ATOM 926 C SER A 56 8.762 -10.537 5.758 1.00 0.00 C ATOM 927 O SER A 56 8.429 -11.379 4.925 1.00 0.00 O ATOM 928 CB SER A 56 8.938 -11.458 8.066 1.00 0.00 C ATOM 929 OG SER A 56 9.788 -11.705 9.172 1.00 0.00 O ATOM 0 H SER A 56 10.362 -9.446 8.268 1.00 0.00 H new ATOM 0 HA SER A 56 10.422 -11.640 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.152 -10.761 8.357 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.447 -12.384 7.768 1.00 0.00 H new ATOM 0 HG SER A 56 9.262 -12.068 9.914 1.00 0.00 H new ATOM 935 N THR A 57 8.318 -9.289 5.744 1.00 0.00 N ATOM 936 CA THR A 57 7.462 -8.811 4.680 1.00 0.00 C ATOM 937 C THR A 57 8.339 -8.282 3.564 1.00 0.00 C ATOM 938 O THR A 57 8.375 -7.091 3.274 1.00 0.00 O ATOM 939 CB THR A 57 6.504 -7.735 5.199 1.00 0.00 C ATOM 940 OG1 THR A 57 7.020 -7.123 6.368 1.00 0.00 O ATOM 941 CG2 THR A 57 5.129 -8.269 5.526 1.00 0.00 C ATOM 0 H THR A 57 8.538 -8.594 6.457 1.00 0.00 H new ATOM 0 HA THR A 57 6.847 -9.626 4.299 1.00 0.00 H new ATOM 0 HB THR A 57 6.412 -7.014 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.394 -6.438 6.682 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.500 -7.456 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.684 -8.701 4.630 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.210 -9.036 6.296 1.00 0.00 H new ATOM 949 N ASN A 58 9.038 -9.213 2.945 1.00 0.00 N ATOM 950 CA ASN A 58 9.991 -8.909 1.899 1.00 0.00 C ATOM 951 C ASN A 58 9.337 -8.171 0.738 1.00 0.00 C ATOM 952 O ASN A 58 8.121 -8.182 0.595 1.00 0.00 O ATOM 953 CB ASN A 58 10.665 -10.191 1.393 1.00 0.00 C ATOM 954 CG ASN A 58 9.805 -11.439 1.503 1.00 0.00 C ATOM 955 OD1 ASN A 58 8.595 -11.359 1.711 1.00 0.00 O ATOM 956 ND2 ASN A 58 10.433 -12.601 1.371 1.00 0.00 N ATOM 0 H ASN A 58 8.959 -10.208 3.156 1.00 0.00 H new ATOM 0 HA ASN A 58 10.748 -8.254 2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.948 -10.051 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.586 -10.349 1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.910 -13.474 1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.438 -12.621 1.199 1.00 0.00 H new ATOM 963 N VAL A 59 10.160 -7.474 -0.049 1.00 0.00 N ATOM 964 CA VAL A 59 9.680 -6.695 -1.204 1.00 0.00 C ATOM 965 C VAL A 59 8.593 -7.430 -1.958 1.00 0.00 C ATOM 966 O VAL A 59 7.693 -6.814 -2.523 1.00 0.00 O ATOM 967 CB VAL A 59 10.797 -6.360 -2.212 1.00 0.00 C ATOM 968 CG1 VAL A 59 10.426 -5.121 -3.013 1.00 0.00 C ATOM 969 CG2 VAL A 59 12.135 -6.185 -1.521 1.00 0.00 C ATOM 0 H VAL A 59 11.170 -7.430 0.090 1.00 0.00 H new ATOM 0 HA VAL A 59 9.294 -5.770 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 59 10.898 -7.200 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.222 -4.894 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.498 -5.303 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.291 -4.277 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.899 -5.950 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.068 -5.372 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.402 -7.108 -1.005 1.00 0.00 H new ATOM 979 N GLU A 60 8.650 -8.754 -1.924 1.00 0.00 N ATOM 980 CA GLU A 60 7.622 -9.572 -2.566 1.00 0.00 C ATOM 981 C GLU A 60 6.247 -9.063 -2.145 1.00 0.00 C ATOM 982 O GLU A 60 5.283 -9.103 -2.909 1.00 0.00 O ATOM 983 CB GLU A 60 7.782 -11.037 -2.157 1.00 0.00 C ATOM 984 CG GLU A 60 7.446 -11.295 -0.698 1.00 0.00 C ATOM 985 CD GLU A 60 5.996 -11.686 -0.491 1.00 0.00 C ATOM 986 OE1 GLU A 60 5.167 -11.383 -1.375 1.00 0.00 O ATOM 987 OE2 GLU A 60 5.689 -12.297 0.553 1.00 0.00 O ATOM 0 H GLU A 60 9.390 -9.284 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 60 7.725 -9.501 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.140 -11.654 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.809 -11.350 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.090 -12.087 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.663 -10.399 -0.116 1.00 0.00 H new ATOM 994 N ILE A 61 6.216 -8.488 -0.949 1.00 0.00 N ATOM 995 CA ILE A 61 5.029 -7.873 -0.404 1.00 0.00 C ATOM 996 C ILE A 61 4.430 -6.888 -1.413 1.00 0.00 C ATOM 997 O ILE A 61 3.219 -6.719 -1.481 1.00 0.00 O ATOM 998 CB ILE A 61 5.371 -7.163 0.939 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.290 -8.132 2.129 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.453 -5.981 1.204 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.457 -9.600 1.786 1.00 0.00 C ATOM 0 H ILE A 61 7.026 -8.439 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 61 4.284 -8.643 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 61 6.395 -6.802 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.057 -7.856 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.326 -7.998 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.725 -5.514 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.554 -5.254 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.420 -6.326 1.254 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.383 -10.197 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.675 -9.902 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.433 -9.758 1.327 1.00 0.00 H new ATOM 1013 N SER A 62 5.281 -6.224 -2.187 1.00 0.00 N ATOM 1014 CA SER A 62 4.793 -5.267 -3.179 1.00 0.00 C ATOM 1015 C SER A 62 3.715 -5.912 -4.036 1.00 0.00 C ATOM 1016 O SER A 62 2.593 -5.415 -4.128 1.00 0.00 O ATOM 1017 CB SER A 62 5.941 -4.766 -4.056 1.00 0.00 C ATOM 1018 OG SER A 62 6.377 -5.774 -4.952 1.00 0.00 O ATOM 0 H SER A 62 6.295 -6.326 -2.151 1.00 0.00 H new ATOM 0 HA SER A 62 4.365 -4.411 -2.656 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.617 -3.890 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.773 -4.451 -3.426 1.00 0.00 H new ATOM 0 HG SER A 62 6.932 -6.422 -4.470 1.00 0.00 H new ATOM 1024 N LYS A 63 4.025 -7.074 -4.578 1.00 0.00 N ATOM 1025 CA LYS A 63 3.050 -7.824 -5.331 1.00 0.00 C ATOM 1026 C LYS A 63 1.955 -8.321 -4.398 1.00 0.00 C ATOM 1027 O LYS A 63 0.799 -8.462 -4.792 1.00 0.00 O ATOM 1028 CB LYS A 63 3.730 -8.983 -6.031 1.00 0.00 C ATOM 1029 CG LYS A 63 3.345 -9.106 -7.488 1.00 0.00 C ATOM 1030 CD LYS A 63 4.328 -9.987 -8.236 1.00 0.00 C ATOM 1031 CE LYS A 63 3.686 -10.642 -9.448 1.00 0.00 C ATOM 1032 NZ LYS A 63 4.533 -11.736 -10.000 1.00 0.00 N ATOM 0 H LYS A 63 4.942 -7.514 -4.509 1.00 0.00 H new ATOM 0 HA LYS A 63 2.595 -7.183 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.811 -8.861 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.477 -9.910 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.342 -9.524 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.316 -8.117 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.182 -9.390 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.710 -10.757 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.711 -11.042 -9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.515 -9.891 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.061 -12.158 -10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.455 -11.350 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.675 -12.465 -9.273 1.00 0.00 H new ATOM 1046 N LEU A 64 2.331 -8.565 -3.146 1.00 0.00 N ATOM 1047 CA LEU A 64 1.389 -9.005 -2.130 1.00 0.00 C ATOM 1048 C LEU A 64 0.322 -7.945 -1.900 1.00 0.00 C ATOM 1049 O LEU A 64 -0.864 -8.257 -1.805 1.00 0.00 O ATOM 1050 CB LEU A 64 2.128 -9.287 -0.825 1.00 0.00 C ATOM 1051 CG LEU A 64 1.344 -10.087 0.206 1.00 0.00 C ATOM 1052 CD1 LEU A 64 2.091 -11.364 0.564 1.00 0.00 C ATOM 1053 CD2 LEU A 64 1.081 -9.252 1.450 1.00 0.00 C ATOM 0 H LEU A 64 3.289 -8.464 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 64 0.905 -9.919 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.047 -9.825 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.419 -8.336 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 64 0.382 -10.359 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.518 -11.926 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.223 -11.971 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.067 -11.111 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.520 -9.843 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.030 -8.946 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.505 -8.367 1.179 1.00 0.00 H new ATOM 1065 N VAL A 65 0.749 -6.689 -1.807 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.186 -5.593 -1.624 1.00 0.00 C ATOM 1067 C VAL A 65 -1.131 -5.533 -2.814 1.00 0.00 C ATOM 1068 O VAL A 65 -2.318 -5.254 -2.661 1.00 0.00 O ATOM 1069 CB VAL A 65 0.519 -4.232 -1.400 1.00 0.00 C ATOM 1070 CG1 VAL A 65 1.168 -3.697 -2.668 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.464 -3.218 -0.846 1.00 0.00 C ATOM 0 H VAL A 65 1.729 -6.410 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.755 -5.787 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 65 1.317 -4.399 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.648 -2.742 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.915 -4.408 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.407 -3.558 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.043 -2.266 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.284 -3.083 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.859 -3.576 0.105 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.621 -5.880 -3.995 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.475 -5.937 -5.171 1.00 0.00 C ATOM 1083 C LYS A 66 -2.556 -6.996 -4.934 1.00 0.00 C ATOM 1084 O LYS A 66 -3.750 -6.744 -5.114 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.652 -6.190 -6.452 1.00 0.00 C ATOM 1086 CG LYS A 66 -0.764 -7.586 -7.054 1.00 0.00 C ATOM 1087 CD LYS A 66 0.419 -7.885 -7.955 1.00 0.00 C ATOM 1088 CE LYS A 66 0.422 -6.989 -9.181 1.00 0.00 C ATOM 1089 NZ LYS A 66 1.486 -7.371 -10.149 1.00 0.00 N ATOM 0 H LYS A 66 0.357 -6.120 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.964 -4.975 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.959 -5.465 -7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.397 -5.995 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.815 -8.327 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.690 -7.667 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.346 -7.746 -7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.387 -8.929 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.550 -7.042 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.567 -5.954 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.420 -6.767 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.419 -7.247 -9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.363 -8.366 -10.425 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.130 -8.154 -4.438 1.00 0.00 N ATOM 1104 CA LYS A 67 -3.063 -9.202 -4.061 1.00 0.00 C ATOM 1105 C LYS A 67 -3.938 -8.686 -2.927 1.00 0.00 C ATOM 1106 O LYS A 67 -5.130 -8.991 -2.843 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.308 -10.462 -3.626 1.00 0.00 C ATOM 1108 CG LYS A 67 -3.202 -11.538 -3.028 1.00 0.00 C ATOM 1109 CD LYS A 67 -3.831 -12.406 -4.108 1.00 0.00 C ATOM 1110 CE LYS A 67 -4.713 -13.489 -3.508 1.00 0.00 C ATOM 1111 NZ LYS A 67 -5.613 -14.099 -4.526 1.00 0.00 N ATOM 0 H LYS A 67 -1.148 -8.387 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.686 -9.466 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.784 -10.876 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.549 -10.185 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.618 -12.163 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.987 -11.071 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.423 -11.783 -4.778 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.047 -12.866 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.087 -14.264 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.311 -13.065 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.198 -14.833 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.229 -13.364 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.042 -14.527 -5.283 1.00 0.00 H new ATOM 1125 N MET A 68 -3.334 -7.850 -2.084 1.00 0.00 N ATOM 1126 CA MET A 68 -4.046 -7.220 -0.987 1.00 0.00 C ATOM 1127 C MET A 68 -5.152 -6.325 -1.540 1.00 0.00 C ATOM 1128 O MET A 68 -6.197 -6.162 -0.914 1.00 0.00 O ATOM 1129 CB MET A 68 -3.076 -6.428 -0.096 1.00 0.00 C ATOM 1130 CG MET A 68 -3.632 -6.110 1.283 1.00 0.00 C ATOM 1131 SD MET A 68 -3.194 -7.352 2.514 1.00 0.00 S ATOM 1132 CE MET A 68 -4.561 -7.191 3.660 1.00 0.00 C ATOM 0 H MET A 68 -2.348 -7.596 -2.145 1.00 0.00 H new ATOM 0 HA MET A 68 -4.504 -7.990 -0.366 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.153 -6.997 0.017 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.816 -5.495 -0.597 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.259 -5.138 1.605 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.717 -6.031 1.223 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.433 -7.897 4.480 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.586 -6.176 4.056 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.497 -7.402 3.142 1.00 0.00 H new ATOM 1142 N ILE A 69 -4.922 -5.761 -2.730 1.00 0.00 N ATOM 1143 CA ILE A 69 -5.938 -4.940 -3.388 1.00 0.00 C ATOM 1144 C ILE A 69 -7.165 -5.781 -3.694 1.00 0.00 C ATOM 1145 O ILE A 69 -8.294 -5.374 -3.421 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.426 -4.292 -4.696 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.248 -3.364 -4.406 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.542 -3.520 -5.390 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -3.380 -3.097 -5.614 1.00 0.00 C ATOM 0 H ILE A 69 -4.050 -5.857 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.190 -4.135 -2.698 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.091 -5.089 -5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.628 -2.416 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.636 -3.802 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.159 -3.073 -6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.359 -4.200 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.907 -2.734 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.563 -2.431 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.971 -4.038 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.979 -2.630 -6.396 1.00 0.00 H new ATOM 1161 N SER A 70 -6.937 -6.973 -4.234 1.00 0.00 N ATOM 1162 CA SER A 70 -8.034 -7.878 -4.546 1.00 0.00 C ATOM 1163 C SER A 70 -8.932 -8.061 -3.326 1.00 0.00 C ATOM 1164 O SER A 70 -10.151 -7.910 -3.407 1.00 0.00 O ATOM 1165 CB SER A 70 -7.498 -9.232 -5.004 1.00 0.00 C ATOM 1166 OG SER A 70 -8.429 -9.895 -5.841 1.00 0.00 O ATOM 0 H SER A 70 -6.010 -7.332 -4.463 1.00 0.00 H new ATOM 0 HA SER A 70 -8.619 -7.441 -5.355 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.559 -9.092 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.280 -9.853 -4.135 1.00 0.00 H new ATOM 0 HG SER A 70 -8.060 -10.758 -6.121 1.00 0.00 H new ATOM 1172 N SER A 71 -8.312 -8.368 -2.190 1.00 0.00 N ATOM 1173 CA SER A 71 -9.044 -8.555 -0.942 1.00 0.00 C ATOM 1174 C SER A 71 -9.440 -7.216 -0.319 1.00 0.00 C ATOM 1175 O SER A 71 -10.399 -7.143 0.449 1.00 0.00 O ATOM 1176 CB SER A 71 -8.202 -9.362 0.048 1.00 0.00 C ATOM 1177 OG SER A 71 -7.615 -10.487 -0.580 1.00 0.00 O ATOM 0 H SER A 71 -7.303 -8.493 -2.109 1.00 0.00 H new ATOM 0 HA SER A 71 -9.957 -9.104 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.421 -8.728 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.827 -9.690 0.879 1.00 0.00 H new ATOM 0 HG SER A 71 -7.081 -10.985 0.074 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.690 -6.163 -0.637 1.00 0.00 N ATOM 1184 CA TRP A 72 -8.965 -4.838 -0.085 1.00 0.00 C ATOM 1185 C TRP A 72 -10.409 -4.436 -0.345 1.00 0.00 C ATOM 1186 O TRP A 72 -11.143 -4.077 0.575 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.037 -3.791 -0.706 1.00 0.00 C ATOM 1188 CG TRP A 72 -6.720 -3.653 -0.007 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.399 -4.128 1.229 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.558 -2.965 -0.489 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.106 -3.785 1.545 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.568 -3.074 0.504 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.259 -2.264 -1.664 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.299 -2.517 0.356 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -3.997 -1.724 -1.814 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.034 -1.845 -0.806 1.00 0.00 C ATOM 0 H TRP A 72 -7.891 -6.200 -1.270 1.00 0.00 H new ATOM 0 HA TRP A 72 -8.791 -4.885 0.990 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -7.858 -4.052 -1.749 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.542 -2.825 -0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.063 -4.692 1.867 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.625 -4.021 2.413 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.002 -2.148 -2.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.552 -2.612 1.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.749 -1.199 -2.725 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.061 -1.398 -0.948 1.00 0.00 H new ATOM 1207 N LYS A 73 -10.809 -4.511 -1.607 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.166 -4.171 -1.999 1.00 0.00 C ATOM 1209 C LYS A 73 -13.133 -5.244 -1.525 1.00 0.00 C ATOM 1210 O LYS A 73 -14.287 -4.960 -1.204 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.251 -3.991 -3.513 1.00 0.00 C ATOM 1212 CG LYS A 73 -11.401 -2.838 -4.023 1.00 0.00 C ATOM 1213 CD LYS A 73 -11.777 -2.449 -5.443 1.00 0.00 C ATOM 1214 CE LYS A 73 -10.805 -3.032 -6.456 1.00 0.00 C ATOM 1215 NZ LYS A 73 -11.466 -3.323 -7.758 1.00 0.00 N ATOM 0 H LYS A 73 -10.209 -4.806 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.444 -3.228 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.934 -4.913 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.290 -3.822 -3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.523 -1.977 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.348 -3.119 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.786 -2.799 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.790 -1.363 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.984 -2.333 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.371 -3.949 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.769 -3.719 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.234 -4.009 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.858 -2.444 -8.152 1.00 0.00 H new ATOM 1229 N ASP A 74 -12.645 -6.480 -1.461 1.00 0.00 N ATOM 1230 CA ASP A 74 -13.452 -7.590 -0.978 1.00 0.00 C ATOM 1231 C ASP A 74 -14.043 -7.248 0.384 1.00 0.00 C ATOM 1232 O ASP A 74 -15.171 -7.627 0.701 1.00 0.00 O ATOM 1233 CB ASP A 74 -12.602 -8.858 -0.879 1.00 0.00 C ATOM 1234 CG ASP A 74 -13.404 -10.116 -1.146 1.00 0.00 C ATOM 1235 OD1 ASP A 74 -14.419 -10.030 -1.868 1.00 0.00 O ATOM 1236 OD2 ASP A 74 -13.015 -11.188 -0.635 1.00 0.00 O ATOM 0 H ASP A 74 -11.697 -6.735 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.264 -7.768 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.780 -8.797 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.158 -8.918 0.115 1.00 0.00 H new ATOM 1241 N ALA A 75 -13.275 -6.504 1.176 1.00 0.00 N ATOM 1242 CA ALA A 75 -13.721 -6.066 2.493 1.00 0.00 C ATOM 1243 C ALA A 75 -14.781 -4.983 2.377 1.00 0.00 C ATOM 1244 O ALA A 75 -15.691 -4.903 3.202 1.00 0.00 O ATOM 1245 CB ALA A 75 -12.543 -5.572 3.318 1.00 0.00 C ATOM 0 H ALA A 75 -12.337 -6.191 0.926 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.166 -6.922 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.895 -5.249 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.820 -6.379 3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.068 -4.733 2.809 1.00 0.00 H new ATOM 1251 N ILE A 76 -14.663 -4.151 1.350 1.00 0.00 N ATOM 1252 CA ILE A 76 -15.618 -3.079 1.145 1.00 0.00 C ATOM 1253 C ILE A 76 -16.966 -3.628 0.693 1.00 0.00 C ATOM 1254 O ILE A 76 -18.008 -3.018 0.931 1.00 0.00 O ATOM 1255 CB ILE A 76 -15.121 -2.055 0.104 1.00 0.00 C ATOM 1256 CG1 ILE A 76 -13.676 -1.636 0.393 1.00 0.00 C ATOM 1257 CG2 ILE A 76 -16.030 -0.840 0.091 1.00 0.00 C ATOM 1258 CD1 ILE A 76 -13.076 -0.764 -0.688 1.00 0.00 C ATOM 0 H ILE A 76 -13.920 -4.200 0.653 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.729 -2.575 2.105 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.146 -2.526 -0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.644 -1.100 1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -13.063 -2.530 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.670 -0.124 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.044 -1.147 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.030 -0.375 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.052 -0.504 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.077 -1.305 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.666 0.147 -0.790 1.00 0.00 H new ATOM 1270 N ASN A 77 -16.936 -4.784 0.039 1.00 0.00 N ATOM 1271 CA ASN A 77 -18.155 -5.417 -0.450 1.00 0.00 C ATOM 1272 C ASN A 77 -18.941 -6.046 0.694 1.00 0.00 C ATOM 1273 O ASN A 77 -20.013 -5.507 1.041 1.00 0.00 O ATOM 1274 CB ASN A 77 -17.811 -6.482 -1.493 1.00 0.00 C ATOM 1275 CG ASN A 77 -19.045 -7.139 -2.078 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -19.818 -7.779 -1.365 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -19.236 -6.985 -3.384 1.00 0.00 N ATOM 1278 OXT ASN A 77 -18.478 -7.072 1.237 1.00 0.00 O ATOM 0 H ASN A 77 -16.081 -5.302 -0.165 1.00 0.00 H new ATOM 0 HA ASN A 77 -18.776 -4.649 -0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -17.231 -6.026 -2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.180 -7.244 -1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -20.049 -7.406 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -18.569 -6.446 -3.937 1.00 0.00 H new TER 1285 ASN A 77