USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 642 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0806 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0425 X(o=-0.042,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.21) USER MOD Single : A 13 SER OG : rot -56:sc= 0.743 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.523 USER MOD Single : A 20 SER OG : rot -36:sc= 1.07 USER MOD Single : A 22 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.37) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-2.7!) USER MOD Single : A 34 SER OG : rot -101:sc= 0.0355 USER MOD Single : A 38 THR OG1 : rot -160:sc= -3.67! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -41:sc= 0.0509 USER MOD Single : A 49 GLN : amide:sc= -5.07! C(o=-5.1!,f=-13!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.488 (180deg=-1.29) USER MOD Single : A 54 LYS NZ :NH3+ -137:sc=-0.00515 (180deg=-0.17) USER MOD Single : A 55 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.28) USER MOD Single : A 57 TYR OH : rot -157:sc= 1.24 USER MOD Single : A 59 GLN : amide:sc= -2.54 K(o=-2.5,f=-6.4!) USER MOD Single : A 60 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0322) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.967! USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= -0.336 (180deg=-0.339) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.659 16.979 -1.185 1.00 0.00 N ATOM 2 CA MET A 1 -11.775 17.977 -1.852 1.00 0.00 C ATOM 3 C MET A 1 -10.564 17.279 -2.475 1.00 0.00 C ATOM 4 O MET A 1 -10.288 16.127 -2.194 1.00 0.00 O ATOM 5 CB MET A 1 -11.332 18.923 -0.735 1.00 0.00 C ATOM 6 CG MET A 1 -10.783 20.214 -1.346 1.00 0.00 C ATOM 7 SD MET A 1 -10.490 21.425 -0.033 1.00 0.00 S ATOM 8 CE MET A 1 -10.188 22.853 -1.104 1.00 0.00 C ATOM 0 H1 MET A 1 -13.592 16.980 -1.644 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.235 16.032 -1.264 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.767 17.227 -0.181 1.00 0.00 H new ATOM 0 HA MET A 1 -12.285 18.507 -2.657 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.173 19.148 -0.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.568 18.445 -0.121 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.856 20.010 -1.881 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.489 20.614 -2.073 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.981 23.730 -0.491 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.332 22.650 -1.748 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.068 23.039 -1.719 1.00 0.00 H new ATOM 20 N LYS A 2 -9.840 17.969 -3.320 1.00 0.00 N ATOM 21 CA LYS A 2 -8.644 17.353 -3.968 1.00 0.00 C ATOM 22 C LYS A 2 -7.379 17.689 -3.173 1.00 0.00 C ATOM 23 O LYS A 2 -7.437 18.344 -2.149 1.00 0.00 O ATOM 24 CB LYS A 2 -8.582 17.979 -5.362 1.00 0.00 C ATOM 25 CG LYS A 2 -9.711 17.415 -6.226 1.00 0.00 C ATOM 26 CD LYS A 2 -9.982 18.363 -7.396 1.00 0.00 C ATOM 27 CE LYS A 2 -11.227 17.900 -8.154 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.767 19.131 -8.796 1.00 0.00 N ATOM 0 H LYS A 2 -10.027 18.935 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.713 16.266 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.672 19.063 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.617 17.769 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.439 16.428 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.614 17.291 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.125 19.379 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.123 18.384 -8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.978 17.144 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.957 17.454 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.624 18.894 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.002 19.830 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.053 19.529 -9.438 1.00 0.00 H new ATOM 42 N LYS A 3 -6.240 17.243 -3.639 1.00 0.00 N ATOM 43 CA LYS A 3 -4.965 17.531 -2.917 1.00 0.00 C ATOM 44 C LYS A 3 -4.378 18.863 -3.395 1.00 0.00 C ATOM 45 O LYS A 3 -4.233 19.096 -4.581 1.00 0.00 O ATOM 46 CB LYS A 3 -4.031 16.373 -3.279 1.00 0.00 C ATOM 47 CG LYS A 3 -3.969 15.377 -2.118 1.00 0.00 C ATOM 48 CD LYS A 3 -5.339 14.718 -1.935 1.00 0.00 C ATOM 49 CE LYS A 3 -5.381 13.992 -0.588 1.00 0.00 C ATOM 50 NZ LYS A 3 -6.829 13.787 -0.308 1.00 0.00 N ATOM 0 H LYS A 3 -6.139 16.691 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.110 17.614 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.387 15.874 -4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.033 16.753 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.212 14.618 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.675 15.889 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.125 15.471 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.527 14.014 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.849 13.042 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.907 14.584 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.940 13.294 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.308 14.709 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.252 13.214 -1.066 1.00 0.00 H new ATOM 64 N ASP A 4 -4.041 19.734 -2.479 1.00 0.00 N ATOM 65 CA ASP A 4 -3.462 21.055 -2.869 1.00 0.00 C ATOM 66 C ASP A 4 -1.928 21.008 -2.786 1.00 0.00 C ATOM 67 O ASP A 4 -1.373 20.057 -2.268 1.00 0.00 O ATOM 68 CB ASP A 4 -4.024 22.048 -1.852 1.00 0.00 C ATOM 69 CG ASP A 4 -5.302 22.679 -2.406 1.00 0.00 C ATOM 70 OD1 ASP A 4 -6.362 22.118 -2.180 1.00 0.00 O ATOM 71 OD2 ASP A 4 -5.201 23.712 -3.046 1.00 0.00 O ATOM 0 H ASP A 4 -4.142 19.587 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.716 21.332 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.235 21.540 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.287 22.822 -1.638 1.00 0.00 H new ATOM 76 N PRO A 5 -1.281 22.034 -3.297 1.00 0.00 N ATOM 77 CA PRO A 5 0.202 22.077 -3.262 1.00 0.00 C ATOM 78 C PRO A 5 0.694 22.336 -1.835 1.00 0.00 C ATOM 79 O PRO A 5 1.735 21.853 -1.432 1.00 0.00 O ATOM 80 CB PRO A 5 0.553 23.245 -4.180 1.00 0.00 C ATOM 81 CG PRO A 5 -0.656 24.124 -4.169 1.00 0.00 C ATOM 82 CD PRO A 5 -1.848 23.231 -3.944 1.00 0.00 C ATOM 0 HA PRO A 5 0.665 21.142 -3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.432 23.779 -3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.780 22.900 -5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.581 24.873 -3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.750 24.662 -5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.593 23.712 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.342 22.981 -4.883 1.00 0.00 H new ATOM 90 N ASN A 6 -0.051 23.094 -1.071 1.00 0.00 N ATOM 91 CA ASN A 6 0.366 23.387 0.336 1.00 0.00 C ATOM 92 C ASN A 6 0.370 22.096 1.159 1.00 0.00 C ATOM 93 O ASN A 6 1.248 21.869 1.969 1.00 0.00 O ATOM 94 CB ASN A 6 -0.683 24.363 0.874 1.00 0.00 C ATOM 95 CG ASN A 6 -0.518 25.720 0.186 1.00 0.00 C ATOM 96 OD1 ASN A 6 0.229 26.560 0.647 1.00 0.00 O ATOM 97 ND2 ASN A 6 -1.187 25.969 -0.906 1.00 0.00 N ATOM 0 H ASN A 6 -0.930 23.523 -1.360 1.00 0.00 H new ATOM 0 HA ASN A 6 1.371 23.806 0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.685 23.972 0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.572 24.474 1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.083 26.870 -1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.814 25.263 -1.292 1.00 0.00 H new ATOM 104 N ALA A 7 -0.604 21.248 0.948 1.00 0.00 N ATOM 105 CA ALA A 7 -0.664 19.963 1.707 1.00 0.00 C ATOM 106 C ALA A 7 0.221 18.908 1.030 1.00 0.00 C ATOM 107 O ALA A 7 0.528 19.025 -0.140 1.00 0.00 O ATOM 108 CB ALA A 7 -2.133 19.540 1.662 1.00 0.00 C ATOM 0 H ALA A 7 -1.362 21.391 0.281 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.305 20.072 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.258 18.601 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.748 20.310 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.442 19.408 0.625 1.00 0.00 H new ATOM 114 N PRO A 8 0.604 17.904 1.786 1.00 0.00 N ATOM 115 CA PRO A 8 1.451 16.833 1.241 1.00 0.00 C ATOM 116 C PRO A 8 0.621 15.796 0.476 1.00 0.00 C ATOM 117 O PRO A 8 -0.594 15.827 0.494 1.00 0.00 O ATOM 118 CB PRO A 8 2.128 16.240 2.457 1.00 0.00 C ATOM 119 CG PRO A 8 1.275 16.606 3.617 1.00 0.00 C ATOM 120 CD PRO A 8 0.289 17.667 3.192 1.00 0.00 C ATOM 0 HA PRO A 8 2.174 17.200 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.218 15.158 2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.137 16.635 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.746 15.728 3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.893 16.974 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.739 17.329 3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.401 18.575 3.784 1.00 0.00 H new ATOM 128 N LYS A 9 1.275 14.899 -0.216 1.00 0.00 N ATOM 129 CA LYS A 9 0.537 13.872 -1.017 1.00 0.00 C ATOM 130 C LYS A 9 -0.133 12.834 -0.113 1.00 0.00 C ATOM 131 O LYS A 9 0.095 12.789 1.080 1.00 0.00 O ATOM 132 CB LYS A 9 1.602 13.205 -1.891 1.00 0.00 C ATOM 133 CG LYS A 9 1.950 14.124 -3.062 1.00 0.00 C ATOM 134 CD LYS A 9 2.591 13.305 -4.184 1.00 0.00 C ATOM 135 CE LYS A 9 2.790 14.193 -5.414 1.00 0.00 C ATOM 136 NZ LYS A 9 3.971 15.040 -5.090 1.00 0.00 N ATOM 0 H LYS A 9 2.292 14.832 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.260 14.326 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.494 12.997 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.236 12.248 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.051 14.620 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.634 14.906 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.549 12.903 -3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.958 12.454 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.966 13.595 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.908 14.803 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.704 16.044 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.302 14.821 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.734 14.847 -5.770 1.00 0.00 H new ATOM 150 N ARG A 10 -0.957 11.998 -0.690 1.00 0.00 N ATOM 151 CA ARG A 10 -1.655 10.947 0.108 1.00 0.00 C ATOM 152 C ARG A 10 -0.689 9.781 0.407 1.00 0.00 C ATOM 153 O ARG A 10 0.012 9.334 -0.479 1.00 0.00 O ATOM 154 CB ARG A 10 -2.833 10.486 -0.767 1.00 0.00 C ATOM 155 CG ARG A 10 -2.329 9.792 -2.042 1.00 0.00 C ATOM 156 CD ARG A 10 -3.522 9.397 -2.912 1.00 0.00 C ATOM 157 NE ARG A 10 -4.012 10.676 -3.497 1.00 0.00 N ATOM 158 CZ ARG A 10 -5.265 10.799 -3.841 1.00 0.00 C ATOM 159 NH1 ARG A 10 -6.174 11.020 -2.931 1.00 0.00 N ATOM 160 NH2 ARG A 10 -5.609 10.701 -5.096 1.00 0.00 N ATOM 0 H ARG A 10 -1.177 11.999 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.002 11.319 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.466 9.802 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.450 11.344 -1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.667 10.459 -2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.746 8.908 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.227 8.694 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.298 8.910 -2.321 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.368 11.456 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.905 11.097 -1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.153 11.116 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.899 10.528 -5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.588 10.797 -5.365 1.00 0.00 H new ATOM 174 N PRO A 11 -0.669 9.323 1.643 1.00 0.00 N ATOM 175 CA PRO A 11 0.238 8.208 2.009 1.00 0.00 C ATOM 176 C PRO A 11 -0.301 6.874 1.462 1.00 0.00 C ATOM 177 O PRO A 11 -1.498 6.672 1.417 1.00 0.00 O ATOM 178 CB PRO A 11 0.219 8.210 3.535 1.00 0.00 C ATOM 179 CG PRO A 11 -1.085 8.840 3.909 1.00 0.00 C ATOM 180 CD PRO A 11 -1.466 9.781 2.796 1.00 0.00 C ATOM 0 HA PRO A 11 1.241 8.325 1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.295 7.197 3.931 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.059 8.775 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.853 8.079 4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.995 9.378 4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.534 9.735 2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.236 10.815 3.053 1.00 0.00 H new ATOM 188 N PRO A 12 0.597 5.993 1.069 1.00 0.00 N ATOM 189 CA PRO A 12 0.170 4.675 0.535 1.00 0.00 C ATOM 190 C PRO A 12 -0.354 3.795 1.673 1.00 0.00 C ATOM 191 O PRO A 12 -0.569 4.267 2.774 1.00 0.00 O ATOM 192 CB PRO A 12 1.448 4.092 -0.057 1.00 0.00 C ATOM 193 CG PRO A 12 2.561 4.763 0.682 1.00 0.00 C ATOM 194 CD PRO A 12 2.065 6.128 1.080 1.00 0.00 C ATOM 0 HA PRO A 12 -0.634 4.746 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.485 3.010 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.511 4.287 -1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.844 4.184 1.561 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.448 4.843 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.432 6.414 2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.400 6.894 0.381 1.00 0.00 H new ATOM 202 N SER A 13 -0.564 2.525 1.420 1.00 0.00 N ATOM 203 CA SER A 13 -1.078 1.628 2.498 1.00 0.00 C ATOM 204 C SER A 13 -0.846 0.157 2.158 1.00 0.00 C ATOM 205 O SER A 13 -1.700 -0.674 2.397 1.00 0.00 O ATOM 206 CB SER A 13 -2.573 1.928 2.581 1.00 0.00 C ATOM 207 OG SER A 13 -3.144 1.186 3.651 1.00 0.00 O ATOM 0 H SER A 13 -0.402 2.075 0.519 1.00 0.00 H new ATOM 0 HA SER A 13 -0.565 1.804 3.443 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.733 2.995 2.737 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.060 1.667 1.642 1.00 0.00 H new ATOM 0 HG SER A 13 -2.963 0.232 3.521 1.00 0.00 H new ATOM 213 N ALA A 14 0.292 -0.175 1.583 1.00 0.00 N ATOM 214 CA ALA A 14 0.599 -1.598 1.198 1.00 0.00 C ATOM 215 C ALA A 14 -0.234 -2.005 -0.014 1.00 0.00 C ATOM 216 O ALA A 14 0.292 -2.162 -1.101 1.00 0.00 O ATOM 217 CB ALA A 14 0.285 -2.492 2.408 1.00 0.00 C ATOM 0 H ALA A 14 1.033 0.490 1.361 1.00 0.00 H new ATOM 0 HA ALA A 14 1.649 -1.704 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.498 -3.531 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.901 -2.189 3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.768 -2.391 2.671 1.00 0.00 H new ATOM 223 N PHE A 15 -1.523 -2.181 0.147 1.00 0.00 N ATOM 224 CA PHE A 15 -2.371 -2.583 -1.023 1.00 0.00 C ATOM 225 C PHE A 15 -2.259 -1.535 -2.137 1.00 0.00 C ATOM 226 O PHE A 15 -2.408 -1.843 -3.305 1.00 0.00 O ATOM 227 CB PHE A 15 -3.809 -2.656 -0.490 1.00 0.00 C ATOM 228 CG PHE A 15 -4.748 -3.028 -1.621 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.539 -4.208 -2.344 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.815 -2.184 -1.952 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.397 -4.546 -3.398 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.672 -2.520 -3.008 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.463 -3.701 -3.731 1.00 0.00 C ATOM 0 H PHE A 15 -2.023 -2.065 1.029 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.056 -3.537 -1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.875 -3.394 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.099 -1.696 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.715 -4.858 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.977 -1.274 -1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.237 -5.458 -3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.494 -1.868 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.124 -3.960 -4.545 1.00 0.00 H new ATOM 243 N PHE A 16 -2.000 -0.303 -1.780 1.00 0.00 N ATOM 244 CA PHE A 16 -1.880 0.762 -2.818 1.00 0.00 C ATOM 245 C PHE A 16 -0.617 0.548 -3.644 1.00 0.00 C ATOM 246 O PHE A 16 -0.593 0.835 -4.823 1.00 0.00 O ATOM 247 CB PHE A 16 -1.814 2.082 -2.049 1.00 0.00 C ATOM 248 CG PHE A 16 -1.978 3.234 -3.011 1.00 0.00 C ATOM 249 CD1 PHE A 16 -3.259 3.670 -3.370 1.00 0.00 C ATOM 250 CD2 PHE A 16 -0.848 3.866 -3.546 1.00 0.00 C ATOM 251 CE1 PHE A 16 -3.410 4.738 -4.264 1.00 0.00 C ATOM 252 CE2 PHE A 16 -0.999 4.932 -4.439 1.00 0.00 C ATOM 253 CZ PHE A 16 -2.280 5.368 -4.798 1.00 0.00 C ATOM 0 H PHE A 16 -1.867 0.010 -0.818 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.719 0.752 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.597 2.113 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.861 2.164 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.131 3.183 -2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.140 3.530 -3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.398 5.075 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.128 5.419 -4.851 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.396 6.191 -5.487 1.00 0.00 H new ATOM 263 N LEU A 17 0.419 0.007 -3.051 1.00 0.00 N ATOM 264 CA LEU A 17 1.663 -0.260 -3.835 1.00 0.00 C ATOM 265 C LEU A 17 1.332 -1.320 -4.884 1.00 0.00 C ATOM 266 O LEU A 17 1.204 -1.016 -6.051 1.00 0.00 O ATOM 267 CB LEU A 17 2.689 -0.772 -2.825 1.00 0.00 C ATOM 268 CG LEU A 17 3.310 0.416 -2.092 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.274 1.038 -1.160 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.510 -0.062 -1.277 1.00 0.00 C ATOM 0 H LEU A 17 0.457 -0.259 -2.067 1.00 0.00 H new ATOM 0 HA LEU A 17 2.053 0.618 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.211 -1.445 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.464 -1.345 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 17 3.637 1.161 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.717 1.886 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.418 1.378 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.946 0.295 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.954 0.784 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.184 -0.807 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.250 -0.505 -1.944 1.00 0.00 H new ATOM 282 N PHE A 18 1.195 -2.562 -4.455 1.00 0.00 N ATOM 283 CA PHE A 18 0.857 -3.703 -5.389 1.00 0.00 C ATOM 284 C PHE A 18 -0.062 -3.226 -6.537 1.00 0.00 C ATOM 285 O PHE A 18 0.228 -3.441 -7.696 1.00 0.00 O ATOM 286 CB PHE A 18 0.145 -4.732 -4.495 1.00 0.00 C ATOM 287 CG PHE A 18 -0.377 -5.889 -5.321 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.512 -6.819 -5.871 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.755 -6.032 -5.527 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.023 -7.892 -6.628 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.244 -7.105 -6.280 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.356 -8.036 -6.831 1.00 0.00 C ATOM 0 H PHE A 18 1.305 -2.839 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 18 1.741 -4.120 -5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.836 -5.102 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.680 -4.254 -3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.575 -6.710 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.441 -5.313 -5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.709 -8.608 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.307 -7.215 -6.436 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.733 -8.865 -7.412 1.00 0.00 H new ATOM 302 N CYS A 19 -1.169 -2.596 -6.222 1.00 0.00 N ATOM 303 CA CYS A 19 -2.087 -2.126 -7.303 1.00 0.00 C ATOM 304 C CYS A 19 -1.440 -1.019 -8.148 1.00 0.00 C ATOM 305 O CYS A 19 -1.488 -1.062 -9.361 1.00 0.00 O ATOM 306 CB CYS A 19 -3.327 -1.592 -6.582 1.00 0.00 C ATOM 307 SG CYS A 19 -4.597 -1.167 -7.800 1.00 0.00 S ATOM 0 H CYS A 19 -1.473 -2.389 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.329 -2.935 -7.993 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.709 -2.342 -5.889 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.067 -0.714 -5.990 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.651 -0.715 -7.188 1.00 0.00 H new ATOM 313 N SER A 20 -0.851 -0.022 -7.527 1.00 0.00 N ATOM 314 CA SER A 20 -0.225 1.096 -8.314 1.00 0.00 C ATOM 315 C SER A 20 0.753 0.568 -9.371 1.00 0.00 C ATOM 316 O SER A 20 0.958 1.198 -10.392 1.00 0.00 O ATOM 317 CB SER A 20 0.517 1.964 -7.293 1.00 0.00 C ATOM 318 OG SER A 20 1.664 1.270 -6.825 1.00 0.00 O ATOM 0 H SER A 20 -0.776 0.067 -6.514 1.00 0.00 H new ATOM 0 HA SER A 20 -0.987 1.658 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.812 2.909 -7.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.141 2.205 -6.458 1.00 0.00 H new ATOM 0 HG SER A 20 1.464 0.313 -6.761 1.00 0.00 H new ATOM 324 N GLU A 21 1.361 -0.572 -9.142 1.00 0.00 N ATOM 325 CA GLU A 21 2.326 -1.110 -10.149 1.00 0.00 C ATOM 326 C GLU A 21 1.619 -2.032 -11.150 1.00 0.00 C ATOM 327 O GLU A 21 2.117 -2.264 -12.235 1.00 0.00 O ATOM 328 CB GLU A 21 3.391 -1.870 -9.348 1.00 0.00 C ATOM 329 CG GLU A 21 2.752 -3.012 -8.558 1.00 0.00 C ATOM 330 CD GLU A 21 3.804 -4.083 -8.267 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.888 -3.720 -7.840 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.509 -5.249 -8.475 1.00 0.00 O ATOM 0 H GLU A 21 1.232 -1.147 -8.310 1.00 0.00 H new ATOM 0 HA GLU A 21 2.774 -0.310 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.149 -2.267 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.898 -1.187 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.335 -2.634 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.926 -3.443 -9.125 1.00 0.00 H new ATOM 339 N HIS A 22 0.465 -2.559 -10.805 1.00 0.00 N ATOM 340 CA HIS A 22 -0.259 -3.463 -11.752 1.00 0.00 C ATOM 341 C HIS A 22 -1.337 -2.686 -12.518 1.00 0.00 C ATOM 342 O HIS A 22 -1.603 -2.962 -13.669 1.00 0.00 O ATOM 343 CB HIS A 22 -0.902 -4.530 -10.869 1.00 0.00 C ATOM 344 CG HIS A 22 0.097 -5.620 -10.590 1.00 0.00 C ATOM 345 ND1 HIS A 22 0.519 -6.504 -11.571 1.00 0.00 N ATOM 346 CD2 HIS A 22 0.765 -5.979 -9.448 1.00 0.00 C ATOM 347 CE1 HIS A 22 1.403 -7.345 -11.002 1.00 0.00 C ATOM 348 NE2 HIS A 22 1.590 -7.069 -9.709 1.00 0.00 N ATOM 0 H HIS A 22 -0.003 -2.402 -9.912 1.00 0.00 H new ATOM 0 HA HIS A 22 0.410 -3.894 -12.497 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.242 -4.086 -9.934 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.780 -4.945 -11.363 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.666 -5.490 -8.490 1.00 0.00 H new ATOM 0 HE1 HIS A 22 1.901 -8.146 -11.528 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.205 -7.553 -9.054 1.00 0.00 H new ATOM 356 N ARG A 23 -1.980 -1.739 -11.868 1.00 0.00 N ATOM 357 CA ARG A 23 -3.076 -0.936 -12.522 1.00 0.00 C ATOM 358 C ARG A 23 -2.756 -0.559 -13.986 1.00 0.00 C ATOM 359 O ARG A 23 -3.565 -0.807 -14.859 1.00 0.00 O ATOM 360 CB ARG A 23 -3.210 0.328 -11.665 1.00 0.00 C ATOM 361 CG ARG A 23 -4.691 0.652 -11.450 1.00 0.00 C ATOM 362 CD ARG A 23 -4.840 2.121 -11.047 1.00 0.00 C ATOM 363 NE ARG A 23 -4.626 2.138 -9.573 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.960 3.115 -9.021 1.00 0.00 C ATOM 365 NH1 ARG A 23 -2.703 3.299 -9.321 1.00 0.00 N ATOM 366 NH2 ARG A 23 -4.551 3.909 -8.171 1.00 0.00 N ATOM 0 H ARG A 23 -1.791 -1.483 -10.899 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.996 -1.518 -12.571 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.717 0.181 -10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.712 1.165 -12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.253 0.456 -12.363 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.106 0.008 -10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.110 2.747 -11.559 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.827 2.504 -11.307 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.000 1.386 -8.995 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.242 2.679 -9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.182 4.063 -8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.534 3.766 -7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.030 4.673 -7.740 1.00 0.00 H new ATOM 380 N PRO A 24 -1.598 0.026 -14.229 1.00 0.00 N ATOM 381 CA PRO A 24 -1.239 0.408 -15.621 1.00 0.00 C ATOM 382 C PRO A 24 -0.988 -0.840 -16.479 1.00 0.00 C ATOM 383 O PRO A 24 -1.053 -0.787 -17.693 1.00 0.00 O ATOM 384 CB PRO A 24 0.034 1.233 -15.456 1.00 0.00 C ATOM 385 CG PRO A 24 0.623 0.776 -14.163 1.00 0.00 C ATOM 386 CD PRO A 24 -0.529 0.382 -13.276 1.00 0.00 C ATOM 0 HA PRO A 24 -2.030 0.961 -16.128 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.723 1.067 -16.284 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.187 2.300 -15.434 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.295 -0.067 -14.321 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.211 1.571 -13.703 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.270 -0.459 -12.633 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.831 1.201 -12.624 1.00 0.00 H new ATOM 394 N LYS A 25 -0.715 -1.962 -15.858 1.00 0.00 N ATOM 395 CA LYS A 25 -0.475 -3.214 -16.632 1.00 0.00 C ATOM 396 C LYS A 25 -1.814 -3.882 -16.964 1.00 0.00 C ATOM 397 O LYS A 25 -1.996 -4.430 -18.034 1.00 0.00 O ATOM 398 CB LYS A 25 0.353 -4.104 -15.705 1.00 0.00 C ATOM 399 CG LYS A 25 1.023 -5.210 -16.522 1.00 0.00 C ATOM 400 CD LYS A 25 2.246 -5.734 -15.767 1.00 0.00 C ATOM 401 CE LYS A 25 2.891 -6.871 -16.564 1.00 0.00 C ATOM 402 NZ LYS A 25 2.162 -8.098 -16.140 1.00 0.00 N ATOM 0 H LYS A 25 -0.649 -2.062 -14.845 1.00 0.00 H new ATOM 0 HA LYS A 25 0.037 -3.029 -17.576 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.108 -3.509 -15.191 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.286 -4.541 -14.937 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.318 -6.022 -16.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.322 -4.826 -17.497 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.965 -4.929 -15.615 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.952 -6.089 -14.779 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.795 -6.705 -17.637 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.956 -6.950 -16.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.547 -8.922 -16.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.277 -8.234 -15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.152 -7.996 -16.364 1.00 0.00 H new ATOM 416 N ILE A 26 -2.755 -3.829 -16.052 1.00 0.00 N ATOM 417 CA ILE A 26 -4.092 -4.450 -16.309 1.00 0.00 C ATOM 418 C ILE A 26 -4.848 -3.655 -17.383 1.00 0.00 C ATOM 419 O ILE A 26 -5.774 -4.153 -17.990 1.00 0.00 O ATOM 420 CB ILE A 26 -4.838 -4.390 -14.968 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.041 -5.144 -13.889 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.227 -5.024 -15.120 1.00 0.00 C ATOM 423 CD1 ILE A 26 -3.853 -6.612 -14.292 1.00 0.00 C ATOM 0 H ILE A 26 -2.654 -3.382 -15.141 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.003 -5.474 -16.673 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.947 -3.348 -14.668 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.069 -4.671 -13.749 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.564 -5.086 -12.934 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.753 -4.980 -14.167 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.795 -4.479 -15.874 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.120 -6.064 -15.428 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.287 -7.132 -13.519 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.828 -7.085 -14.409 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.310 -6.664 -15.236 1.00 0.00 H new ATOM 435 N LYS A 27 -4.450 -2.430 -17.631 1.00 0.00 N ATOM 436 CA LYS A 27 -5.134 -1.609 -18.677 1.00 0.00 C ATOM 437 C LYS A 27 -4.639 -1.996 -20.080 1.00 0.00 C ATOM 438 O LYS A 27 -5.281 -1.699 -21.070 1.00 0.00 O ATOM 439 CB LYS A 27 -4.756 -0.163 -18.353 1.00 0.00 C ATOM 440 CG LYS A 27 -5.684 0.372 -17.260 1.00 0.00 C ATOM 441 CD LYS A 27 -5.410 1.862 -17.041 1.00 0.00 C ATOM 442 CE LYS A 27 -6.170 2.680 -18.087 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.483 4.001 -18.115 1.00 0.00 N ATOM 0 H LYS A 27 -3.679 -1.964 -17.153 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.213 -1.761 -18.676 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.719 -0.112 -18.022 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.836 0.455 -19.248 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.725 0.221 -17.546 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.525 -0.178 -16.332 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.720 2.156 -16.038 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.341 2.061 -17.115 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.139 2.198 -19.064 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.221 2.787 -17.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.948 4.619 -18.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.534 4.439 -17.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.486 3.868 -18.381 1.00 0.00 H new ATOM 457 N SER A 28 -3.506 -2.657 -20.174 1.00 0.00 N ATOM 458 CA SER A 28 -2.978 -3.062 -21.517 1.00 0.00 C ATOM 459 C SER A 28 -3.745 -4.280 -22.041 1.00 0.00 C ATOM 460 O SER A 28 -4.196 -4.301 -23.171 1.00 0.00 O ATOM 461 CB SER A 28 -1.509 -3.414 -21.280 1.00 0.00 C ATOM 462 OG SER A 28 -0.837 -3.486 -22.530 1.00 0.00 O ATOM 0 H SER A 28 -2.927 -2.932 -19.381 1.00 0.00 H new ATOM 0 HA SER A 28 -3.091 -2.272 -22.259 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.041 -2.662 -20.645 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.431 -4.367 -20.757 1.00 0.00 H new ATOM 0 HG SER A 28 0.106 -3.710 -22.382 1.00 0.00 H new ATOM 468 N GLU A 29 -3.899 -5.290 -21.223 1.00 0.00 N ATOM 469 CA GLU A 29 -4.644 -6.513 -21.660 1.00 0.00 C ATOM 470 C GLU A 29 -6.156 -6.355 -21.417 1.00 0.00 C ATOM 471 O GLU A 29 -6.913 -7.295 -21.566 1.00 0.00 O ATOM 472 CB GLU A 29 -4.081 -7.644 -20.799 1.00 0.00 C ATOM 473 CG GLU A 29 -2.680 -8.011 -21.288 1.00 0.00 C ATOM 474 CD GLU A 29 -2.785 -8.816 -22.584 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.015 -10.011 -22.498 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.636 -8.224 -23.640 1.00 0.00 O ATOM 0 H GLU A 29 -3.541 -5.322 -20.269 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.522 -6.702 -22.726 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.043 -7.335 -19.754 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.735 -8.514 -20.851 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.094 -7.107 -21.455 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.159 -8.593 -20.528 1.00 0.00 H new ATOM 483 N HIS A 30 -6.601 -5.170 -21.067 1.00 0.00 N ATOM 484 CA HIS A 30 -8.060 -4.933 -20.840 1.00 0.00 C ATOM 485 C HIS A 30 -8.364 -3.447 -21.077 1.00 0.00 C ATOM 486 O HIS A 30 -8.467 -2.682 -20.139 1.00 0.00 O ATOM 487 CB HIS A 30 -8.354 -5.307 -19.378 1.00 0.00 C ATOM 488 CG HIS A 30 -7.979 -6.737 -19.104 1.00 0.00 C ATOM 489 ND1 HIS A 30 -8.891 -7.776 -19.211 1.00 0.00 N ATOM 490 CD2 HIS A 30 -6.801 -7.313 -18.707 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.251 -8.912 -18.881 1.00 0.00 C ATOM 492 NE2 HIS A 30 -6.973 -8.686 -18.565 1.00 0.00 N ATOM 0 H HIS A 30 -6.009 -4.351 -20.928 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.675 -5.527 -21.516 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.799 -4.647 -18.711 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.413 -5.157 -19.166 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.878 -6.781 -18.531 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.714 -9.888 -18.873 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.274 -9.372 -18.281 1.00 0.00 H new ATOM 500 N PRO A 31 -8.492 -3.073 -22.328 1.00 0.00 N ATOM 501 CA PRO A 31 -8.781 -1.656 -22.668 1.00 0.00 C ATOM 502 C PRO A 31 -10.172 -1.263 -22.166 1.00 0.00 C ATOM 503 O PRO A 31 -11.153 -1.925 -22.446 1.00 0.00 O ATOM 504 CB PRO A 31 -8.711 -1.632 -24.195 1.00 0.00 C ATOM 505 CG PRO A 31 -8.986 -3.042 -24.606 1.00 0.00 C ATOM 506 CD PRO A 31 -8.389 -3.910 -23.534 1.00 0.00 C ATOM 0 HA PRO A 31 -8.088 -0.950 -22.210 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.446 -0.946 -24.615 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.732 -1.301 -24.542 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.057 -3.219 -24.700 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.541 -3.259 -25.577 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.936 -4.846 -23.423 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.354 -4.170 -23.756 1.00 0.00 H new ATOM 514 N GLY A 32 -10.258 -0.194 -21.413 1.00 0.00 N ATOM 515 CA GLY A 32 -11.579 0.244 -20.872 1.00 0.00 C ATOM 516 C GLY A 32 -11.741 -0.273 -19.437 1.00 0.00 C ATOM 517 O GLY A 32 -12.495 0.270 -18.653 1.00 0.00 O ATOM 0 H GLY A 32 -9.468 0.394 -21.150 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.648 1.332 -20.888 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.385 -0.136 -21.500 1.00 0.00 H new ATOM 521 N LEU A 33 -11.042 -1.330 -19.091 1.00 0.00 N ATOM 522 CA LEU A 33 -11.146 -1.908 -17.710 1.00 0.00 C ATOM 523 C LEU A 33 -10.964 -0.827 -16.637 1.00 0.00 C ATOM 524 O LEU A 33 -9.860 -0.424 -16.325 1.00 0.00 O ATOM 525 CB LEU A 33 -10.005 -2.934 -17.638 1.00 0.00 C ATOM 526 CG LEU A 33 -10.291 -4.012 -16.582 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.358 -3.373 -15.197 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.618 -4.718 -16.889 1.00 0.00 C ATOM 0 H LEU A 33 -10.398 -1.821 -19.711 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.125 -2.352 -17.527 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.872 -3.403 -18.613 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.071 -2.426 -17.399 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.486 -4.747 -16.604 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.561 -4.142 -14.451 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.406 -2.891 -14.972 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.154 -2.629 -15.178 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.808 -5.480 -16.133 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.428 -3.989 -16.882 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.562 -5.188 -17.871 1.00 0.00 H new ATOM 540 N SER A 34 -12.051 -0.365 -16.073 1.00 0.00 N ATOM 541 CA SER A 34 -11.969 0.688 -15.011 1.00 0.00 C ATOM 542 C SER A 34 -11.080 0.207 -13.857 1.00 0.00 C ATOM 543 O SER A 34 -10.452 -0.832 -13.942 1.00 0.00 O ATOM 544 CB SER A 34 -13.407 0.887 -14.531 1.00 0.00 C ATOM 545 OG SER A 34 -14.028 -0.382 -14.372 1.00 0.00 O ATOM 0 H SER A 34 -12.996 -0.672 -16.302 1.00 0.00 H new ATOM 0 HA SER A 34 -11.534 1.615 -15.385 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.415 1.430 -13.586 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.963 1.489 -15.250 1.00 0.00 H new ATOM 0 HG SER A 34 -14.604 -0.563 -15.144 1.00 0.00 H new ATOM 551 N ILE A 35 -11.020 0.956 -12.785 1.00 0.00 N ATOM 552 CA ILE A 35 -10.166 0.543 -11.627 1.00 0.00 C ATOM 553 C ILE A 35 -10.976 -0.302 -10.629 1.00 0.00 C ATOM 554 O ILE A 35 -10.569 -0.490 -9.498 1.00 0.00 O ATOM 555 CB ILE A 35 -9.711 1.855 -10.978 1.00 0.00 C ATOM 556 CG1 ILE A 35 -8.951 2.704 -12.004 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.785 1.553 -9.796 1.00 0.00 C ATOM 558 CD1 ILE A 35 -8.743 4.113 -11.445 1.00 0.00 C ATOM 0 H ILE A 35 -11.524 1.834 -12.660 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.322 -0.071 -11.942 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.588 2.400 -10.628 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.989 2.245 -12.230 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.510 2.751 -12.939 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.464 2.488 -9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.319 0.952 -9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.912 1.003 -10.149 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.203 4.717 -12.174 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.711 4.570 -11.241 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.167 4.057 -10.522 1.00 0.00 H new ATOM 570 N GLY A 36 -12.112 -0.816 -11.036 1.00 0.00 N ATOM 571 CA GLY A 36 -12.935 -1.648 -10.108 1.00 0.00 C ATOM 572 C GLY A 36 -12.685 -3.128 -10.401 1.00 0.00 C ATOM 573 O GLY A 36 -12.352 -3.895 -9.517 1.00 0.00 O ATOM 0 H GLY A 36 -12.503 -0.694 -11.970 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.678 -1.422 -9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.992 -1.414 -10.232 1.00 0.00 H new ATOM 577 N ASP A 37 -12.847 -3.531 -11.635 1.00 0.00 N ATOM 578 CA ASP A 37 -12.624 -4.965 -11.995 1.00 0.00 C ATOM 579 C ASP A 37 -11.176 -5.370 -11.702 1.00 0.00 C ATOM 580 O ASP A 37 -10.925 -6.418 -11.135 1.00 0.00 O ATOM 581 CB ASP A 37 -12.911 -5.057 -13.495 1.00 0.00 C ATOM 582 CG ASP A 37 -14.405 -4.839 -13.743 1.00 0.00 C ATOM 583 OD1 ASP A 37 -14.806 -3.693 -13.860 1.00 0.00 O ATOM 584 OD2 ASP A 37 -15.123 -5.823 -13.813 1.00 0.00 O ATOM 0 H ASP A 37 -13.124 -2.929 -12.410 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.264 -5.633 -11.418 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.329 -4.309 -14.034 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.607 -6.032 -13.875 1.00 0.00 H new ATOM 589 N THR A 38 -10.223 -4.554 -12.083 1.00 0.00 N ATOM 590 CA THR A 38 -8.793 -4.905 -11.822 1.00 0.00 C ATOM 591 C THR A 38 -8.485 -4.767 -10.327 1.00 0.00 C ATOM 592 O THR A 38 -7.641 -5.460 -9.799 1.00 0.00 O ATOM 593 CB THR A 38 -7.958 -3.925 -12.662 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.580 -4.212 -12.478 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.233 -2.481 -12.242 1.00 0.00 C ATOM 0 H THR A 38 -10.373 -3.665 -12.561 1.00 0.00 H new ATOM 0 HA THR A 38 -8.566 -5.936 -12.095 1.00 0.00 H new ATOM 0 HB THR A 38 -8.231 -4.041 -13.711 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.046 -3.431 -12.734 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.632 -1.805 -12.849 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.290 -2.255 -12.386 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.974 -2.352 -11.191 1.00 0.00 H new ATOM 603 N ALA A 39 -9.181 -3.894 -9.644 1.00 0.00 N ATOM 604 CA ALA A 39 -8.949 -3.723 -8.174 1.00 0.00 C ATOM 605 C ALA A 39 -9.514 -4.931 -7.428 1.00 0.00 C ATOM 606 O ALA A 39 -8.999 -5.340 -6.405 1.00 0.00 O ATOM 607 CB ALA A 39 -9.705 -2.451 -7.789 1.00 0.00 C ATOM 0 H ALA A 39 -9.902 -3.290 -10.040 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.891 -3.647 -7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.580 -2.262 -6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.310 -1.608 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.764 -2.575 -8.014 1.00 0.00 H new ATOM 613 N LYS A 40 -10.559 -5.517 -7.955 1.00 0.00 N ATOM 614 CA LYS A 40 -11.155 -6.718 -7.304 1.00 0.00 C ATOM 615 C LYS A 40 -10.224 -7.904 -7.538 1.00 0.00 C ATOM 616 O LYS A 40 -9.961 -8.691 -6.647 1.00 0.00 O ATOM 617 CB LYS A 40 -12.499 -6.936 -8.002 1.00 0.00 C ATOM 618 CG LYS A 40 -13.545 -5.994 -7.402 1.00 0.00 C ATOM 619 CD LYS A 40 -14.807 -6.016 -8.267 1.00 0.00 C ATOM 620 CE LYS A 40 -15.971 -5.400 -7.488 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.003 -5.094 -8.517 1.00 0.00 N ATOM 0 H LYS A 40 -11.025 -5.213 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.290 -6.601 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.399 -6.752 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.818 -7.972 -7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.784 -6.300 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.148 -4.981 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.638 -5.460 -9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.048 -7.040 -8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.354 -6.092 -6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.660 -4.498 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.834 -4.668 -8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.612 -4.428 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.285 -5.972 -8.998 1.00 0.00 H new ATOM 635 N LYS A 41 -9.715 -8.022 -8.737 1.00 0.00 N ATOM 636 CA LYS A 41 -8.781 -9.142 -9.053 1.00 0.00 C ATOM 637 C LYS A 41 -7.474 -8.949 -8.280 1.00 0.00 C ATOM 638 O LYS A 41 -7.009 -9.839 -7.594 1.00 0.00 O ATOM 639 CB LYS A 41 -8.533 -9.051 -10.560 1.00 0.00 C ATOM 640 CG LYS A 41 -7.981 -10.385 -11.068 1.00 0.00 C ATOM 641 CD LYS A 41 -7.541 -10.235 -12.524 1.00 0.00 C ATOM 642 CE LYS A 41 -6.696 -11.444 -12.931 1.00 0.00 C ATOM 643 NZ LYS A 41 -6.417 -11.249 -14.381 1.00 0.00 N ATOM 0 H LYS A 41 -9.907 -7.388 -9.513 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.186 -10.115 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.461 -8.808 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.828 -8.248 -10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.138 -10.699 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.742 -11.161 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.414 -10.154 -13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.965 -9.318 -12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.772 -11.492 -12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.231 -12.377 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.841 -12.040 -14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.314 -11.214 -14.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.901 -10.357 -14.518 1.00 0.00 H new ATOM 657 N LEU A 42 -6.879 -7.786 -8.390 1.00 0.00 N ATOM 658 CA LEU A 42 -5.590 -7.508 -7.669 1.00 0.00 C ATOM 659 C LEU A 42 -5.702 -7.874 -6.187 1.00 0.00 C ATOM 660 O LEU A 42 -4.895 -8.617 -5.662 1.00 0.00 O ATOM 661 CB LEU A 42 -5.372 -6.002 -7.815 1.00 0.00 C ATOM 662 CG LEU A 42 -4.374 -5.723 -8.940 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.932 -6.210 -10.280 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.131 -4.221 -9.015 1.00 0.00 C ATOM 0 H LEU A 42 -7.231 -7.010 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.767 -8.094 -8.079 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.320 -5.508 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.001 -5.588 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.442 -6.250 -8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.211 -6.005 -11.071 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.118 -7.283 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.865 -5.690 -10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.421 -4.007 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.072 -3.710 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.726 -3.870 -8.066 1.00 0.00 H new ATOM 676 N GLY A 43 -6.699 -7.354 -5.508 1.00 0.00 N ATOM 677 CA GLY A 43 -6.876 -7.665 -4.053 1.00 0.00 C ATOM 678 C GLY A 43 -6.859 -9.184 -3.847 1.00 0.00 C ATOM 679 O GLY A 43 -6.449 -9.675 -2.812 1.00 0.00 O ATOM 0 H GLY A 43 -7.400 -6.726 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.080 -7.200 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.817 -7.249 -3.694 1.00 0.00 H new ATOM 683 N GLU A 44 -7.273 -9.925 -4.846 1.00 0.00 N ATOM 684 CA GLU A 44 -7.251 -11.410 -4.734 1.00 0.00 C ATOM 685 C GLU A 44 -5.800 -11.882 -4.815 1.00 0.00 C ATOM 686 O GLU A 44 -5.383 -12.774 -4.100 1.00 0.00 O ATOM 687 CB GLU A 44 -8.055 -11.923 -5.931 1.00 0.00 C ATOM 688 CG GLU A 44 -8.575 -13.331 -5.635 1.00 0.00 C ATOM 689 CD GLU A 44 -7.440 -14.342 -5.808 1.00 0.00 C ATOM 690 OE1 GLU A 44 -7.036 -14.560 -6.939 1.00 0.00 O ATOM 691 OE2 GLU A 44 -6.994 -14.880 -4.809 1.00 0.00 O ATOM 0 H GLU A 44 -7.624 -9.562 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.673 -11.773 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.889 -11.252 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.429 -11.936 -6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.967 -13.379 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.398 -13.574 -6.306 1.00 0.00 H new ATOM 698 N MET A 45 -5.023 -11.270 -5.677 1.00 0.00 N ATOM 699 CA MET A 45 -3.587 -11.655 -5.808 1.00 0.00 C ATOM 700 C MET A 45 -2.793 -11.064 -4.641 1.00 0.00 C ATOM 701 O MET A 45 -1.917 -11.704 -4.091 1.00 0.00 O ATOM 702 CB MET A 45 -3.124 -11.051 -7.134 1.00 0.00 C ATOM 703 CG MET A 45 -3.439 -12.019 -8.276 1.00 0.00 C ATOM 704 SD MET A 45 -3.458 -11.116 -9.844 1.00 0.00 S ATOM 705 CE MET A 45 -1.762 -11.499 -10.347 1.00 0.00 C ATOM 0 H MET A 45 -5.325 -10.518 -6.296 1.00 0.00 H new ATOM 0 HA MET A 45 -3.441 -12.735 -5.790 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.623 -10.097 -7.304 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.053 -10.849 -7.099 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.693 -12.813 -8.310 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.404 -12.496 -8.107 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.554 -11.032 -11.309 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.066 -11.117 -9.600 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.644 -12.579 -10.435 1.00 0.00 H new ATOM 715 N TRP A 46 -3.103 -9.848 -4.249 1.00 0.00 N ATOM 716 CA TRP A 46 -2.375 -9.209 -3.102 1.00 0.00 C ATOM 717 C TRP A 46 -2.452 -10.124 -1.870 1.00 0.00 C ATOM 718 O TRP A 46 -1.456 -10.395 -1.226 1.00 0.00 O ATOM 719 CB TRP A 46 -3.096 -7.874 -2.859 1.00 0.00 C ATOM 720 CG TRP A 46 -2.514 -7.192 -1.660 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.204 -6.821 -0.557 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.132 -6.806 -1.428 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.329 -6.231 0.338 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.038 -6.198 -0.156 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.037 -6.925 -2.197 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.178 -5.726 0.338 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.264 -6.451 -1.704 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.333 -5.853 -0.439 1.00 0.00 C ATOM 0 H TRP A 46 -3.829 -9.271 -4.674 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.317 -9.049 -3.308 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.999 -7.233 -3.736 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.161 -8.048 -2.708 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.263 -6.962 -0.401 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.603 -5.865 1.250 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.008 -7.384 -3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.227 -5.266 1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.158 -6.548 -2.303 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.279 -5.490 -0.064 1.00 0.00 H new ATOM 739 N SER A 47 -3.626 -10.613 -1.554 1.00 0.00 N ATOM 740 CA SER A 47 -3.771 -11.530 -0.380 1.00 0.00 C ATOM 741 C SER A 47 -3.103 -12.885 -0.672 1.00 0.00 C ATOM 742 O SER A 47 -2.963 -13.713 0.208 1.00 0.00 O ATOM 743 CB SER A 47 -5.278 -11.706 -0.189 1.00 0.00 C ATOM 744 OG SER A 47 -5.520 -12.360 1.050 1.00 0.00 O ATOM 0 H SER A 47 -4.491 -10.417 -2.058 1.00 0.00 H new ATOM 0 HA SER A 47 -3.293 -11.127 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.774 -10.736 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.695 -12.290 -1.009 1.00 0.00 H new ATOM 0 HG SER A 47 -4.864 -13.077 1.175 1.00 0.00 H new ATOM 750 N GLU A 48 -2.675 -13.110 -1.893 1.00 0.00 N ATOM 751 CA GLU A 48 -2.002 -14.390 -2.244 1.00 0.00 C ATOM 752 C GLU A 48 -0.494 -14.170 -2.392 1.00 0.00 C ATOM 753 O GLU A 48 0.272 -15.116 -2.404 1.00 0.00 O ATOM 754 CB GLU A 48 -2.618 -14.794 -3.583 1.00 0.00 C ATOM 755 CG GLU A 48 -4.059 -15.260 -3.364 1.00 0.00 C ATOM 756 CD GLU A 48 -4.063 -16.733 -2.952 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.935 -17.573 -3.828 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.192 -16.997 -1.768 1.00 0.00 O ATOM 0 H GLU A 48 -2.767 -12.450 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.136 -15.156 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.599 -13.951 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.032 -15.592 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.535 -14.655 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.639 -15.125 -4.277 1.00 0.00 H new ATOM 765 N GLN A 49 -0.057 -12.935 -2.497 1.00 0.00 N ATOM 766 CA GLN A 49 1.402 -12.673 -2.631 1.00 0.00 C ATOM 767 C GLN A 49 2.108 -13.131 -1.356 1.00 0.00 C ATOM 768 O GLN A 49 1.581 -13.006 -0.267 1.00 0.00 O ATOM 769 CB GLN A 49 1.534 -11.154 -2.817 1.00 0.00 C ATOM 770 CG GLN A 49 1.874 -10.844 -4.277 1.00 0.00 C ATOM 771 CD GLN A 49 0.616 -10.984 -5.135 1.00 0.00 C ATOM 772 OE1 GLN A 49 -0.257 -10.141 -5.093 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.486 -12.020 -5.917 1.00 0.00 N ATOM 0 H GLN A 49 -0.650 -12.105 -2.495 1.00 0.00 H new ATOM 0 HA GLN A 49 1.852 -13.207 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.603 -10.661 -2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.312 -10.763 -2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.274 -9.834 -4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.648 -11.524 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.220 -12.728 -5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.349 -12.122 -6.494 1.00 0.00 H new ATOM 782 N SER A 50 3.295 -13.649 -1.485 1.00 0.00 N ATOM 783 CA SER A 50 4.052 -14.105 -0.286 1.00 0.00 C ATOM 784 C SER A 50 4.987 -12.966 0.176 1.00 0.00 C ATOM 785 O SER A 50 4.512 -11.927 0.597 1.00 0.00 O ATOM 786 CB SER A 50 4.814 -15.349 -0.756 1.00 0.00 C ATOM 787 OG SER A 50 5.736 -14.979 -1.773 1.00 0.00 O ATOM 0 H SER A 50 3.778 -13.777 -2.374 1.00 0.00 H new ATOM 0 HA SER A 50 3.425 -14.350 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.342 -15.804 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.116 -16.095 -1.136 1.00 0.00 H new ATOM 0 HG SER A 50 6.226 -15.772 -2.075 1.00 0.00 H new ATOM 793 N ALA A 51 6.293 -13.122 0.094 1.00 0.00 N ATOM 794 CA ALA A 51 7.205 -12.019 0.519 1.00 0.00 C ATOM 795 C ALA A 51 7.816 -11.323 -0.708 1.00 0.00 C ATOM 796 O ALA A 51 8.365 -10.243 -0.604 1.00 0.00 O ATOM 797 CB ALA A 51 8.293 -12.700 1.351 1.00 0.00 C ATOM 0 H ALA A 51 6.758 -13.963 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 51 6.681 -11.250 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.005 -11.952 1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.838 -13.197 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.812 -13.436 0.738 1.00 0.00 H new ATOM 803 N LYS A 52 7.728 -11.933 -1.868 1.00 0.00 N ATOM 804 CA LYS A 52 8.305 -11.302 -3.095 1.00 0.00 C ATOM 805 C LYS A 52 7.569 -9.996 -3.413 1.00 0.00 C ATOM 806 O LYS A 52 8.181 -8.980 -3.680 1.00 0.00 O ATOM 807 CB LYS A 52 8.094 -12.323 -4.215 1.00 0.00 C ATOM 808 CG LYS A 52 9.020 -11.993 -5.389 1.00 0.00 C ATOM 809 CD LYS A 52 8.953 -13.114 -6.432 1.00 0.00 C ATOM 810 CE LYS A 52 10.180 -14.022 -6.297 1.00 0.00 C ATOM 811 NZ LYS A 52 9.981 -14.752 -5.013 1.00 0.00 N ATOM 0 H LYS A 52 7.282 -12.838 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 52 9.359 -11.053 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.299 -13.329 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.055 -12.309 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.727 -11.045 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.044 -11.874 -5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.042 -13.696 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.913 -12.688 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.254 -14.713 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.102 -13.440 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.569 -15.610 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.255 -14.139 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.980 -15.018 -4.916 1.00 0.00 H new ATOM 825 N ASP A 53 6.259 -10.021 -3.386 1.00 0.00 N ATOM 826 CA ASP A 53 5.476 -8.785 -3.686 1.00 0.00 C ATOM 827 C ASP A 53 4.505 -8.477 -2.540 1.00 0.00 C ATOM 828 O ASP A 53 3.303 -8.421 -2.724 1.00 0.00 O ATOM 829 CB ASP A 53 4.706 -9.105 -4.963 1.00 0.00 C ATOM 830 CG ASP A 53 5.470 -8.566 -6.175 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.597 -8.988 -6.375 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.915 -7.741 -6.881 1.00 0.00 O ATOM 0 H ASP A 53 5.699 -10.845 -3.169 1.00 0.00 H new ATOM 0 HA ASP A 53 6.117 -7.911 -3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.570 -10.182 -5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.712 -8.660 -4.921 1.00 0.00 H new ATOM 837 N LYS A 54 5.027 -8.278 -1.358 1.00 0.00 N ATOM 838 CA LYS A 54 4.157 -7.971 -0.185 1.00 0.00 C ATOM 839 C LYS A 54 4.999 -7.553 1.027 1.00 0.00 C ATOM 840 O LYS A 54 4.581 -6.734 1.824 1.00 0.00 O ATOM 841 CB LYS A 54 3.430 -9.279 0.103 1.00 0.00 C ATOM 842 CG LYS A 54 1.985 -8.982 0.511 1.00 0.00 C ATOM 843 CD LYS A 54 1.394 -10.181 1.250 1.00 0.00 C ATOM 844 CE LYS A 54 1.784 -10.115 2.728 1.00 0.00 C ATOM 845 NZ LYS A 54 0.815 -9.161 3.338 1.00 0.00 N ATOM 0 H LYS A 54 6.026 -8.315 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 54 3.474 -7.146 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.446 -9.918 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.939 -9.823 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.953 -8.099 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.387 -8.758 -0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.309 -10.184 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.758 -11.109 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.721 -11.097 3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.810 -9.768 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.318 -8.522 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.358 -8.604 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.092 -9.690 3.866 1.00 0.00 H new ATOM 859 N GLN A 55 6.181 -8.101 1.166 1.00 0.00 N ATOM 860 CA GLN A 55 7.053 -7.726 2.322 1.00 0.00 C ATOM 861 C GLN A 55 7.617 -6.310 2.126 1.00 0.00 C ATOM 862 O GLN A 55 7.452 -5.468 2.984 1.00 0.00 O ATOM 863 CB GLN A 55 8.182 -8.759 2.331 1.00 0.00 C ATOM 864 CG GLN A 55 7.824 -9.901 3.285 1.00 0.00 C ATOM 865 CD GLN A 55 7.774 -9.372 4.720 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.799 -9.162 5.338 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.618 -9.149 5.280 1.00 0.00 N ATOM 0 H GLN A 55 6.579 -8.791 0.529 1.00 0.00 H new ATOM 0 HA GLN A 55 6.504 -7.721 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.341 -9.148 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.115 -8.290 2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.860 -10.329 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.562 -10.699 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.758 -9.325 4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.574 -8.798 6.237 1.00 0.00 H new ATOM 876 N PRO A 56 8.264 -6.075 0.999 1.00 0.00 N ATOM 877 CA PRO A 56 8.832 -4.728 0.732 1.00 0.00 C ATOM 878 C PRO A 56 7.722 -3.717 0.403 1.00 0.00 C ATOM 879 O PRO A 56 7.982 -2.537 0.253 1.00 0.00 O ATOM 880 CB PRO A 56 9.731 -4.948 -0.482 1.00 0.00 C ATOM 881 CG PRO A 56 9.162 -6.145 -1.172 1.00 0.00 C ATOM 882 CD PRO A 56 8.531 -7.008 -0.114 1.00 0.00 C ATOM 0 HA PRO A 56 9.366 -4.321 1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.730 -4.077 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.765 -5.120 -0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.423 -5.846 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.943 -6.692 -1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.613 -7.473 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.197 -7.814 0.193 1.00 0.00 H new ATOM 890 N TYR A 57 6.492 -4.164 0.287 1.00 0.00 N ATOM 891 CA TYR A 57 5.377 -3.229 -0.033 1.00 0.00 C ATOM 892 C TYR A 57 4.800 -2.641 1.259 1.00 0.00 C ATOM 893 O TYR A 57 4.352 -1.510 1.289 1.00 0.00 O ATOM 894 CB TYR A 57 4.333 -4.097 -0.740 1.00 0.00 C ATOM 895 CG TYR A 57 4.789 -4.396 -2.149 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.917 -5.197 -2.372 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.084 -3.869 -3.236 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.335 -5.470 -3.679 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.502 -4.142 -4.544 1.00 0.00 C ATOM 900 CZ TYR A 57 5.628 -4.942 -4.766 1.00 0.00 C ATOM 901 OH TYR A 57 6.042 -5.212 -6.055 1.00 0.00 O ATOM 0 H TYR A 57 6.217 -5.140 0.401 1.00 0.00 H new ATOM 0 HA TYR A 57 5.698 -2.390 -0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.186 -5.027 -0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.372 -3.583 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.464 -5.604 -1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.215 -3.250 -3.066 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.204 -6.089 -3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.955 -3.735 -5.382 1.00 0.00 H new ATOM 0 HH TYR A 57 5.706 -4.517 -6.659 1.00 0.00 H new ATOM 911 N GLU A 58 4.808 -3.404 2.322 1.00 0.00 N ATOM 912 CA GLU A 58 4.257 -2.898 3.618 1.00 0.00 C ATOM 913 C GLU A 58 5.331 -2.135 4.406 1.00 0.00 C ATOM 914 O GLU A 58 5.016 -1.323 5.255 1.00 0.00 O ATOM 915 CB GLU A 58 3.797 -4.144 4.385 1.00 0.00 C ATOM 916 CG GLU A 58 4.975 -5.106 4.592 1.00 0.00 C ATOM 917 CD GLU A 58 5.018 -5.570 6.051 1.00 0.00 C ATOM 918 OE1 GLU A 58 4.744 -4.758 6.919 1.00 0.00 O ATOM 919 OE2 GLU A 58 5.324 -6.730 6.275 1.00 0.00 O ATOM 0 H GLU A 58 5.172 -4.356 2.350 1.00 0.00 H new ATOM 0 HA GLU A 58 3.436 -2.199 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.382 -3.853 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.001 -4.646 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.874 -5.966 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.910 -4.611 4.331 1.00 0.00 H new ATOM 926 N GLN A 59 6.592 -2.366 4.118 1.00 0.00 N ATOM 927 CA GLN A 59 7.675 -1.626 4.840 1.00 0.00 C ATOM 928 C GLN A 59 8.010 -0.317 4.103 1.00 0.00 C ATOM 929 O GLN A 59 8.741 0.514 4.608 1.00 0.00 O ATOM 930 CB GLN A 59 8.888 -2.559 4.833 1.00 0.00 C ATOM 931 CG GLN A 59 8.542 -3.903 5.496 1.00 0.00 C ATOM 932 CD GLN A 59 8.028 -3.682 6.925 1.00 0.00 C ATOM 933 OE1 GLN A 59 7.168 -4.403 7.389 1.00 0.00 O ATOM 934 NE2 GLN A 59 8.521 -2.713 7.646 1.00 0.00 N ATOM 0 H GLN A 59 6.916 -3.032 3.417 1.00 0.00 H new ATOM 0 HA GLN A 59 7.374 -1.360 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.218 -2.727 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.718 -2.090 5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.785 -4.421 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.424 -4.543 5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.243 -2.106 7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.184 -2.563 8.597 1.00 0.00 H new ATOM 943 N LYS A 60 7.461 -0.121 2.926 1.00 0.00 N ATOM 944 CA LYS A 60 7.722 1.137 2.168 1.00 0.00 C ATOM 945 C LYS A 60 6.594 2.131 2.449 1.00 0.00 C ATOM 946 O LYS A 60 6.785 3.332 2.414 1.00 0.00 O ATOM 947 CB LYS A 60 7.726 0.724 0.696 1.00 0.00 C ATOM 948 CG LYS A 60 8.405 1.809 -0.140 1.00 0.00 C ATOM 949 CD LYS A 60 7.941 1.700 -1.593 1.00 0.00 C ATOM 950 CE LYS A 60 8.949 2.398 -2.507 1.00 0.00 C ATOM 951 NZ LYS A 60 8.681 3.853 -2.334 1.00 0.00 N ATOM 0 H LYS A 60 6.841 -0.784 2.460 1.00 0.00 H new ATOM 0 HA LYS A 60 8.661 1.615 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.251 -0.224 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.704 0.569 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.162 2.794 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.488 1.701 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.843 0.652 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.957 2.154 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.973 2.149 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.818 2.093 -3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.500 4.285 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.849 3.983 -1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.507 4.308 -1.895 1.00 0.00 H new ATOM 965 N ALA A 61 5.421 1.628 2.746 1.00 0.00 N ATOM 966 CA ALA A 61 4.269 2.517 3.055 1.00 0.00 C ATOM 967 C ALA A 61 4.153 2.700 4.570 1.00 0.00 C ATOM 968 O ALA A 61 3.672 3.710 5.049 1.00 0.00 O ATOM 969 CB ALA A 61 3.048 1.775 2.511 1.00 0.00 C ATOM 0 H ALA A 61 5.215 0.630 2.787 1.00 0.00 H new ATOM 0 HA ALA A 61 4.372 3.509 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.151 2.365 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.164 1.621 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.958 0.809 3.008 1.00 0.00 H new ATOM 975 N ALA A 62 4.597 1.725 5.328 1.00 0.00 N ATOM 976 CA ALA A 62 4.521 1.831 6.815 1.00 0.00 C ATOM 977 C ALA A 62 5.460 2.926 7.315 1.00 0.00 C ATOM 978 O ALA A 62 5.101 3.698 8.185 1.00 0.00 O ATOM 979 CB ALA A 62 4.954 0.463 7.345 1.00 0.00 C ATOM 0 H ALA A 62 5.009 0.860 4.978 1.00 0.00 H new ATOM 0 HA ALA A 62 3.519 2.093 7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.922 0.468 8.435 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.279 -0.304 6.966 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.970 0.249 7.013 1.00 0.00 H new ATOM 985 N LYS A 63 6.650 3.024 6.767 1.00 0.00 N ATOM 986 CA LYS A 63 7.586 4.102 7.212 1.00 0.00 C ATOM 987 C LYS A 63 7.265 5.417 6.484 1.00 0.00 C ATOM 988 O LYS A 63 7.789 6.462 6.822 1.00 0.00 O ATOM 989 CB LYS A 63 8.981 3.603 6.828 1.00 0.00 C ATOM 990 CG LYS A 63 10.040 4.455 7.532 1.00 0.00 C ATOM 991 CD LYS A 63 10.348 3.857 8.905 1.00 0.00 C ATOM 992 CE LYS A 63 11.567 4.557 9.507 1.00 0.00 C ATOM 993 NZ LYS A 63 11.510 4.245 10.962 1.00 0.00 N ATOM 0 H LYS A 63 7.009 2.409 6.037 1.00 0.00 H new ATOM 0 HA LYS A 63 7.506 4.302 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.095 2.556 7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.114 3.658 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.948 4.496 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.684 5.479 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.488 3.972 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.539 2.788 8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.492 4.192 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.531 5.632 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.316 4.692 11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.622 4.610 11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.553 3.215 11.098 1.00 0.00 H new ATOM 1007 N LEU A 64 6.388 5.378 5.503 1.00 0.00 N ATOM 1008 CA LEU A 64 6.010 6.623 4.774 1.00 0.00 C ATOM 1009 C LEU A 64 4.772 7.237 5.435 1.00 0.00 C ATOM 1010 O LEU A 64 4.552 8.433 5.373 1.00 0.00 O ATOM 1011 CB LEU A 64 5.694 6.172 3.344 1.00 0.00 C ATOM 1012 CG LEU A 64 6.831 6.588 2.408 1.00 0.00 C ATOM 1013 CD1 LEU A 64 6.617 5.957 1.031 1.00 0.00 C ATOM 1014 CD2 LEU A 64 6.846 8.113 2.271 1.00 0.00 C ATOM 0 H LEU A 64 5.920 4.531 5.180 1.00 0.00 H new ATOM 0 HA LEU A 64 6.797 7.377 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.563 5.090 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.756 6.616 3.012 1.00 0.00 H new ATOM 0 HG LEU A 64 7.782 6.249 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.427 6.254 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.605 4.871 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.666 6.296 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.656 8.410 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.895 8.451 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.998 8.565 3.251 1.00 0.00 H new ATOM 1026 N LYS A 65 3.976 6.425 6.090 1.00 0.00 N ATOM 1027 CA LYS A 65 2.764 6.949 6.783 1.00 0.00 C ATOM 1028 C LYS A 65 3.213 7.810 7.971 1.00 0.00 C ATOM 1029 O LYS A 65 2.690 8.882 8.205 1.00 0.00 O ATOM 1030 CB LYS A 65 1.999 5.695 7.245 1.00 0.00 C ATOM 1031 CG LYS A 65 0.818 6.093 8.138 1.00 0.00 C ATOM 1032 CD LYS A 65 0.023 4.843 8.523 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.111 5.232 9.474 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.894 3.981 9.668 1.00 0.00 N ATOM 0 H LYS A 65 4.117 5.418 6.173 1.00 0.00 H new ATOM 0 HA LYS A 65 2.134 7.575 6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.638 5.141 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.670 5.032 7.791 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.180 6.597 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.174 6.799 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.384 4.368 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.679 4.115 9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.722 5.605 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.729 6.023 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.691 4.166 10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.257 3.653 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.281 3.248 10.080 1.00 0.00 H new ATOM 1048 N GLU A 66 4.190 7.344 8.708 1.00 0.00 N ATOM 1049 CA GLU A 66 4.698 8.130 9.877 1.00 0.00 C ATOM 1050 C GLU A 66 5.218 9.490 9.401 1.00 0.00 C ATOM 1051 O GLU A 66 5.096 10.487 10.088 1.00 0.00 O ATOM 1052 CB GLU A 66 5.839 7.295 10.461 1.00 0.00 C ATOM 1053 CG GLU A 66 6.240 7.859 11.825 1.00 0.00 C ATOM 1054 CD GLU A 66 7.232 6.910 12.500 1.00 0.00 C ATOM 1055 OE1 GLU A 66 6.922 5.734 12.600 1.00 0.00 O ATOM 1056 OE2 GLU A 66 8.285 7.374 12.905 1.00 0.00 O ATOM 0 H GLU A 66 4.659 6.452 8.551 1.00 0.00 H new ATOM 0 HA GLU A 66 3.920 8.321 10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.527 6.256 10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.694 7.306 9.786 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.689 8.845 11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.357 7.985 12.452 1.00 0.00 H new ATOM 1063 N LYS A 67 5.784 9.534 8.221 1.00 0.00 N ATOM 1064 CA LYS A 67 6.306 10.827 7.681 1.00 0.00 C ATOM 1065 C LYS A 67 5.139 11.772 7.380 1.00 0.00 C ATOM 1066 O LYS A 67 5.280 12.980 7.424 1.00 0.00 O ATOM 1067 CB LYS A 67 7.046 10.462 6.392 1.00 0.00 C ATOM 1068 CG LYS A 67 7.926 11.635 5.958 1.00 0.00 C ATOM 1069 CD LYS A 67 8.587 11.310 4.618 1.00 0.00 C ATOM 1070 CE LYS A 67 9.810 10.420 4.852 1.00 0.00 C ATOM 1071 NZ LYS A 67 10.085 9.789 3.531 1.00 0.00 N ATOM 0 H LYS A 67 5.907 8.729 7.607 1.00 0.00 H new ATOM 0 HA LYS A 67 6.961 11.335 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.658 9.574 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.331 10.220 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.325 12.540 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.687 11.831 6.713 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.877 10.805 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.885 12.230 4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.664 11.004 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.611 9.668 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.912 9.163 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.258 9.234 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.278 10.529 2.826 1.00 0.00 H new ATOM 1085 N TYR A 68 3.983 11.227 7.087 1.00 0.00 N ATOM 1086 CA TYR A 68 2.795 12.086 6.797 1.00 0.00 C ATOM 1087 C TYR A 68 2.361 12.801 8.078 1.00 0.00 C ATOM 1088 O TYR A 68 1.873 13.912 8.048 1.00 0.00 O ATOM 1089 CB TYR A 68 1.709 11.117 6.321 1.00 0.00 C ATOM 1090 CG TYR A 68 0.649 11.866 5.546 1.00 0.00 C ATOM 1091 CD1 TYR A 68 1.011 12.693 4.475 1.00 0.00 C ATOM 1092 CD2 TYR A 68 -0.700 11.727 5.898 1.00 0.00 C ATOM 1093 CE1 TYR A 68 0.025 13.381 3.759 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -1.686 12.414 5.179 1.00 0.00 C ATOM 1095 CZ TYR A 68 -1.323 13.241 4.110 1.00 0.00 C ATOM 1096 OH TYR A 68 -2.295 13.919 3.402 1.00 0.00 O ATOM 0 H TYR A 68 3.812 10.223 7.036 1.00 0.00 H new ATOM 0 HA TYR A 68 3.000 12.853 6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.151 10.343 5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.258 10.615 7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.050 12.800 4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.980 11.090 6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.304 14.021 2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.726 12.306 5.449 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.177 13.710 3.775 1.00 0.00 H new ATOM 1106 N GLU A 69 2.540 12.159 9.203 1.00 0.00 N ATOM 1107 CA GLU A 69 2.147 12.780 10.507 1.00 0.00 C ATOM 1108 C GLU A 69 2.898 14.099 10.713 1.00 0.00 C ATOM 1109 O GLU A 69 2.337 15.075 11.175 1.00 0.00 O ATOM 1110 CB GLU A 69 2.550 11.761 11.577 1.00 0.00 C ATOM 1111 CG GLU A 69 1.786 10.455 11.352 1.00 0.00 C ATOM 1112 CD GLU A 69 1.740 9.659 12.657 1.00 0.00 C ATOM 1113 OE1 GLU A 69 0.990 10.048 13.538 1.00 0.00 O ATOM 1114 OE2 GLU A 69 2.455 8.675 12.754 1.00 0.00 O ATOM 0 H GLU A 69 2.944 11.225 9.277 1.00 0.00 H new ATOM 0 HA GLU A 69 1.082 13.010 10.547 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.624 11.578 11.534 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.333 12.155 12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.774 10.668 11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.271 9.868 10.572 1.00 0.00 H new ATOM 1121 N LYS A 70 4.157 14.137 10.357 1.00 0.00 N ATOM 1122 CA LYS A 70 4.948 15.394 10.511 1.00 0.00 C ATOM 1123 C LYS A 70 4.649 16.316 9.331 1.00 0.00 C ATOM 1124 O LYS A 70 4.612 17.525 9.461 1.00 0.00 O ATOM 1125 CB LYS A 70 6.413 14.953 10.494 1.00 0.00 C ATOM 1126 CG LYS A 70 6.825 14.494 11.894 1.00 0.00 C ATOM 1127 CD LYS A 70 6.384 13.046 12.107 1.00 0.00 C ATOM 1128 CE LYS A 70 7.184 12.432 13.258 1.00 0.00 C ATOM 1129 NZ LYS A 70 7.158 10.965 13.004 1.00 0.00 N ATOM 0 H LYS A 70 4.672 13.349 9.965 1.00 0.00 H new ATOM 0 HA LYS A 70 4.709 15.937 11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.551 14.142 9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.048 15.777 10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.905 14.577 12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.371 15.138 12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.318 13.009 12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.539 12.470 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.206 12.812 13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.737 12.674 14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.770 10.483 13.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.184 10.613 13.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.502 10.773 12.041 1.00 0.00 H new ATOM 1143 N ASP A 71 4.410 15.738 8.183 1.00 0.00 N ATOM 1144 CA ASP A 71 4.080 16.554 6.980 1.00 0.00 C ATOM 1145 C ASP A 71 2.718 17.215 7.190 1.00 0.00 C ATOM 1146 O ASP A 71 2.571 18.415 7.061 1.00 0.00 O ATOM 1147 CB ASP A 71 4.034 15.552 5.823 1.00 0.00 C ATOM 1148 CG ASP A 71 5.342 15.618 5.032 1.00 0.00 C ATOM 1149 OD1 ASP A 71 5.460 16.494 4.192 1.00 0.00 O ATOM 1150 OD2 ASP A 71 6.203 14.790 5.280 1.00 0.00 O ATOM 0 H ASP A 71 4.430 14.730 8.028 1.00 0.00 H new ATOM 0 HA ASP A 71 4.802 17.347 6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.881 14.544 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.191 15.775 5.169 1.00 0.00 H new ATOM 1155 N ILE A 72 1.727 16.434 7.535 1.00 0.00 N ATOM 1156 CA ILE A 72 0.367 17.002 7.782 1.00 0.00 C ATOM 1157 C ILE A 72 0.436 17.956 8.984 1.00 0.00 C ATOM 1158 O ILE A 72 -0.245 18.957 9.024 1.00 0.00 O ATOM 1159 CB ILE A 72 -0.532 15.780 8.061 1.00 0.00 C ATOM 1160 CG1 ILE A 72 -0.798 15.039 6.740 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -1.874 16.213 8.678 1.00 0.00 C ATOM 1162 CD1 ILE A 72 -1.563 15.940 5.758 1.00 0.00 C ATOM 0 H ILE A 72 1.801 15.424 7.657 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.023 17.580 6.945 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.021 15.126 8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.147 14.727 6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.373 14.133 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.489 15.333 8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.691 16.734 9.618 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.393 16.879 7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.741 15.397 4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.517 16.230 6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.974 16.833 5.549 1.00 0.00 H new ATOM 1174 N ALA A 73 1.259 17.649 9.960 1.00 0.00 N ATOM 1175 CA ALA A 73 1.378 18.540 11.163 1.00 0.00 C ATOM 1176 C ALA A 73 1.661 19.988 10.737 1.00 0.00 C ATOM 1177 O ALA A 73 1.118 20.924 11.295 1.00 0.00 O ATOM 1178 CB ALA A 73 2.554 17.979 11.965 1.00 0.00 C ATOM 0 H ALA A 73 1.854 16.821 9.977 1.00 0.00 H new ATOM 0 HA ALA A 73 0.458 18.558 11.747 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.703 18.580 12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.341 16.949 12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.457 18.008 11.355 1.00 0.00 H new ATOM 1184 N ALA A 74 2.493 20.173 9.743 1.00 0.00 N ATOM 1185 CA ALA A 74 2.803 21.556 9.262 1.00 0.00 C ATOM 1186 C ALA A 74 1.640 22.101 8.418 1.00 0.00 C ATOM 1187 O ALA A 74 1.521 23.294 8.212 1.00 0.00 O ATOM 1188 CB ALA A 74 4.063 21.409 8.408 1.00 0.00 C ATOM 0 H ALA A 74 2.972 19.425 9.242 1.00 0.00 H new ATOM 0 HA ALA A 74 2.950 22.254 10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.354 22.384 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.871 21.006 9.018 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.863 20.731 7.578 1.00 0.00 H new ATOM 1194 N TYR A 75 0.769 21.237 7.957 1.00 0.00 N ATOM 1195 CA TYR A 75 -0.409 21.693 7.157 1.00 0.00 C ATOM 1196 C TYR A 75 -1.700 21.605 8.000 1.00 0.00 C ATOM 1197 O TYR A 75 -2.770 21.960 7.545 1.00 0.00 O ATOM 1198 CB TYR A 75 -0.468 20.729 5.971 1.00 0.00 C ATOM 1199 CG TYR A 75 -1.573 21.153 5.032 1.00 0.00 C ATOM 1200 CD1 TYR A 75 -1.450 22.341 4.301 1.00 0.00 C ATOM 1201 CD2 TYR A 75 -2.716 20.359 4.891 1.00 0.00 C ATOM 1202 CE1 TYR A 75 -2.472 22.735 3.429 1.00 0.00 C ATOM 1203 CE2 TYR A 75 -3.739 20.753 4.019 1.00 0.00 C ATOM 1204 CZ TYR A 75 -3.616 21.941 3.289 1.00 0.00 C ATOM 1205 OH TYR A 75 -4.624 22.330 2.429 1.00 0.00 O ATOM 0 H TYR A 75 0.825 20.229 8.102 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.318 22.731 6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.487 20.722 5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.645 19.713 6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.567 22.953 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.810 19.442 5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.378 23.651 2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.622 20.141 3.910 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.345 21.667 2.449 1.00 0.00 H new ATOM 1215 N ARG A 76 -1.600 21.117 9.216 1.00 0.00 N ATOM 1216 CA ARG A 76 -2.807 20.980 10.086 1.00 0.00 C ATOM 1217 C ARG A 76 -3.153 22.316 10.757 1.00 0.00 C ATOM 1218 O ARG A 76 -3.276 22.399 11.965 1.00 0.00 O ATOM 1219 CB ARG A 76 -2.419 19.937 11.137 1.00 0.00 C ATOM 1220 CG ARG A 76 -3.607 19.010 11.405 1.00 0.00 C ATOM 1221 CD ARG A 76 -4.542 19.659 12.430 1.00 0.00 C ATOM 1222 NE ARG A 76 -3.817 19.561 13.726 1.00 0.00 N ATOM 1223 CZ ARG A 76 -3.930 18.486 14.458 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -3.110 17.487 14.282 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -4.865 18.411 15.365 1.00 0.00 N ATOM 0 H ARG A 76 -0.727 20.807 9.643 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.687 20.684 9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.564 19.357 10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.116 20.432 12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.146 18.815 10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.254 18.048 11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.751 20.697 12.172 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.501 19.142 12.473 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.232 20.334 14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.380 17.545 13.572 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.199 16.647 14.854 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.507 19.192 15.502 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.954 17.571 15.937 1.00 0.00 H new ATOM 1239 N ALA A 77 -3.310 23.367 9.984 1.00 0.00 N ATOM 1240 CA ALA A 77 -3.647 24.710 10.566 1.00 0.00 C ATOM 1241 C ALA A 77 -2.572 25.137 11.570 1.00 0.00 C ATOM 1242 O ALA A 77 -2.860 25.438 12.714 1.00 0.00 O ATOM 1243 CB ALA A 77 -5.004 24.540 11.262 1.00 0.00 C ATOM 0 H ALA A 77 -3.219 23.353 8.968 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.692 25.483 9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.306 25.488 11.708 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.751 24.229 10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.921 23.783 12.041 1.00 0.00 H new ATOM 1249 N LYS A 78 -1.336 25.165 11.144 1.00 0.00 N ATOM 1250 CA LYS A 78 -0.225 25.574 12.061 1.00 0.00 C ATOM 1251 C LYS A 78 -0.456 27.000 12.575 1.00 0.00 C ATOM 1252 O LYS A 78 0.104 27.334 13.606 1.00 0.00 O ATOM 1253 CB LYS A 78 1.053 25.507 11.214 1.00 0.00 C ATOM 1254 CG LYS A 78 0.918 26.413 9.985 1.00 0.00 C ATOM 1255 CD LYS A 78 2.308 26.777 9.461 1.00 0.00 C ATOM 1256 CE LYS A 78 2.176 27.773 8.307 1.00 0.00 C ATOM 1257 NZ LYS A 78 3.411 28.603 8.372 1.00 0.00 N ATOM 1258 OXT LYS A 78 -1.189 27.729 11.929 1.00 0.00 O ATOM 0 H LYS A 78 -1.045 24.922 10.197 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.162 24.927 12.936 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.911 25.816 11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.237 24.480 10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.347 25.906 9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.368 27.317 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.908 27.210 10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.827 25.880 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.096 27.259 7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.282 28.387 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.394 29.311 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.457 29.085 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.246 27.993 8.259 1.00 0.00 H new TER 1272 LYS A 78