USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HD1:sc= -10! C(o=-14!,f=-17!) USER MOD Set 1.2: A 36 MET CE :methyl -119:sc= -4.22! (180deg=0) USER MOD Set 2.1: A 29 TYR OH : rot -15:sc= -0.565 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 HIS : no HD1:sc= -5.76! C(o=-9.8!,f=-13!) USER MOD Set 3.2: A 87 GLN : amide:sc= -4.03 K(o=-9.8,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0582 (180deg=-0.218) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= -1.03 (180deg=-1.6) USER MOD Single : A 5 LYS NZ :NH3+ 173:sc= -0.521 (180deg=-0.591) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0258) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.974 USER MOD Single : A 18 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.04 K(o=-2,f=-15!) USER MOD Single : A 42 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -22:sc= -1.41 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc=-0.000234 (180deg=-0.0418) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -102:sc= 1 USER MOD Single : A 62 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= -0.0165 (180deg=-0.868) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 82 HIS : no HE2:sc= -0.709 K(o=-0.71,f=-1.5) USER MOD Single : A 88 ASN : amide:sc= -2.97 K(o=-3,f=-10!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.457 19.148 19.380 1.00 0.00 N ATOM 2 CA MET A 1 -0.485 17.675 19.169 1.00 0.00 C ATOM 3 C MET A 1 -1.765 17.247 18.459 1.00 0.00 C ATOM 4 O MET A 1 -2.257 16.136 18.661 1.00 0.00 O ATOM 5 CB MET A 1 -0.374 16.985 20.530 1.00 0.00 C ATOM 6 CG MET A 1 0.980 16.335 20.772 1.00 0.00 C ATOM 7 SD MET A 1 1.568 16.558 22.462 1.00 0.00 S ATOM 8 CE MET A 1 0.538 15.384 23.338 1.00 0.00 C ATOM 0 H1 MET A 1 0.302 19.389 20.049 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.283 19.625 18.473 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.370 19.461 19.766 1.00 0.00 H new ATOM 0 HA MET A 1 0.353 17.386 18.535 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.563 17.716 21.316 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.152 16.226 20.608 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.911 15.269 20.554 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.709 16.756 20.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.784 15.405 24.400 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.511 15.649 23.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.713 14.382 22.945 1.00 0.00 H new ATOM 20 N LYS A 2 -2.299 18.135 17.626 1.00 0.00 N ATOM 21 CA LYS A 2 -3.521 17.850 16.884 1.00 0.00 C ATOM 22 C LYS A 2 -3.203 17.476 15.440 1.00 0.00 C ATOM 23 O LYS A 2 -2.284 18.028 14.834 1.00 0.00 O ATOM 24 CB LYS A 2 -4.457 19.060 16.916 1.00 0.00 C ATOM 25 CG LYS A 2 -3.878 20.300 16.252 1.00 0.00 C ATOM 26 CD LYS A 2 -4.352 21.571 16.936 1.00 0.00 C ATOM 27 CE LYS A 2 -4.010 22.806 16.117 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.964 24.033 16.958 1.00 0.00 N ATOM 0 H LYS A 2 -1.904 19.058 17.448 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.017 17.004 17.360 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.392 18.798 16.422 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.699 19.294 17.953 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.789 20.255 16.281 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.169 20.321 15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.430 21.522 17.090 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.893 21.648 17.921 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.045 22.663 15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.750 22.934 15.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.728 24.853 16.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.892 24.184 17.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.240 23.921 17.696 1.00 0.00 H new ATOM 42 N LYS A 3 -3.967 16.534 14.893 1.00 0.00 N ATOM 43 CA LYS A 3 -3.762 16.085 13.521 1.00 0.00 C ATOM 44 C LYS A 3 -2.348 15.546 13.334 1.00 0.00 C ATOM 45 O LYS A 3 -1.386 16.312 13.270 1.00 0.00 O ATOM 46 CB LYS A 3 -4.019 17.234 12.544 1.00 0.00 C ATOM 47 CG LYS A 3 -5.443 17.761 12.584 1.00 0.00 C ATOM 48 CD LYS A 3 -5.565 18.968 13.503 1.00 0.00 C ATOM 49 CE LYS A 3 -7.017 19.334 13.757 1.00 0.00 C ATOM 50 NZ LYS A 3 -7.273 19.621 15.196 1.00 0.00 N ATOM 0 H LYS A 3 -4.733 16.068 15.379 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.468 15.280 13.316 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.332 18.050 12.768 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.794 16.896 11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.759 18.035 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.114 16.973 12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.072 18.755 14.451 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.047 19.818 13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.281 20.207 13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.660 18.517 13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.203 20.075 15.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.260 18.732 15.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.535 20.257 15.560 1.00 0.00 H new ATOM 64 N LEU A 4 -2.227 14.225 13.253 1.00 0.00 N ATOM 65 CA LEU A 4 -0.924 13.590 13.081 1.00 0.00 C ATOM 66 C LEU A 4 -1.062 12.229 12.396 1.00 0.00 C ATOM 67 O LEU A 4 -2.086 11.937 11.781 1.00 0.00 O ATOM 68 CB LEU A 4 -0.237 13.435 14.442 1.00 0.00 C ATOM 69 CG LEU A 4 1.126 14.122 14.563 1.00 0.00 C ATOM 70 CD1 LEU A 4 1.243 14.852 15.891 1.00 0.00 C ATOM 71 CD2 LEU A 4 2.251 13.108 14.411 1.00 0.00 C ATOM 0 H LEU A 4 -3.011 13.575 13.303 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.312 14.226 12.442 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.897 13.834 15.212 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.111 12.372 14.649 1.00 0.00 H new ATOM 0 HG LEU A 4 1.212 14.855 13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.219 15.333 15.957 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.460 15.607 15.961 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.134 14.140 16.709 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.212 13.615 14.500 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.166 12.351 15.191 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.181 12.631 13.433 1.00 0.00 H new ATOM 83 N LYS A 5 -0.019 11.405 12.512 1.00 0.00 N ATOM 84 CA LYS A 5 -0.008 10.073 11.911 1.00 0.00 C ATOM 85 C LYS A 5 0.122 10.148 10.392 1.00 0.00 C ATOM 86 O LYS A 5 1.182 9.861 9.838 1.00 0.00 O ATOM 87 CB LYS A 5 -1.269 9.290 12.294 1.00 0.00 C ATOM 88 CG LYS A 5 -1.449 9.128 13.795 1.00 0.00 C ATOM 89 CD LYS A 5 -2.801 9.648 14.256 1.00 0.00 C ATOM 90 CE LYS A 5 -2.973 9.496 15.758 1.00 0.00 C ATOM 91 NZ LYS A 5 -3.106 8.069 16.160 1.00 0.00 N ATOM 0 H LYS A 5 0.833 11.640 13.020 1.00 0.00 H new ATOM 0 HA LYS A 5 0.863 9.547 12.302 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.142 9.799 11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.229 8.303 11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.353 8.076 14.062 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.656 9.663 14.317 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.901 10.698 13.982 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.595 9.107 13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.117 9.939 16.268 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.856 10.048 16.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.102 7.999 17.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.999 7.686 15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.309 7.524 15.773 1.00 0.00 H new ATOM 105 N LYS A 6 -0.962 10.527 9.720 1.00 0.00 N ATOM 106 CA LYS A 6 -0.957 10.628 8.266 1.00 0.00 C ATOM 107 C LYS A 6 -0.586 12.036 7.808 1.00 0.00 C ATOM 108 O LYS A 6 -1.294 12.995 8.111 1.00 0.00 O ATOM 109 CB LYS A 6 -2.327 10.236 7.704 1.00 0.00 C ATOM 110 CG LYS A 6 -2.364 8.834 7.119 1.00 0.00 C ATOM 111 CD LYS A 6 -2.977 7.838 8.090 1.00 0.00 C ATOM 112 CE LYS A 6 -2.744 6.404 7.642 1.00 0.00 C ATOM 113 NZ LYS A 6 -3.987 5.587 7.725 1.00 0.00 N ATOM 0 H LYS A 6 -1.851 10.768 10.158 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.203 9.940 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.071 10.310 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.612 10.951 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.939 8.841 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.352 8.519 6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.548 7.984 9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.048 8.024 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.374 6.400 6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.970 5.951 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.786 4.616 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.326 5.570 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.718 6.004 7.114 1.00 0.00 H new ATOM 127 N HIS A 7 0.531 12.129 7.070 1.00 0.00 N ATOM 128 CA HIS A 7 1.056 13.394 6.523 1.00 0.00 C ATOM 129 C HIS A 7 2.394 13.777 7.164 1.00 0.00 C ATOM 130 O HIS A 7 3.353 14.087 6.457 1.00 0.00 O ATOM 131 CB HIS A 7 0.066 14.559 6.659 1.00 0.00 C ATOM 132 CG HIS A 7 -1.180 14.383 5.846 1.00 0.00 C ATOM 133 ND1 HIS A 7 -1.489 13.210 5.190 1.00 0.00 N ATOM 134 CD2 HIS A 7 -2.197 15.237 5.585 1.00 0.00 C ATOM 135 CE1 HIS A 7 -2.641 13.351 4.560 1.00 0.00 C ATOM 136 NE2 HIS A 7 -3.091 14.571 4.784 1.00 0.00 N ATOM 0 H HIS A 7 1.104 11.319 6.832 1.00 0.00 H new ATOM 0 HA HIS A 7 1.211 13.211 5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.207 14.672 7.708 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.560 15.482 6.357 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.288 16.253 5.941 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.131 12.596 3.963 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.962 14.957 4.421 1.00 0.00 H new ATOM 145 N PRO A 8 2.486 13.769 8.507 1.00 0.00 N ATOM 146 CA PRO A 8 3.714 14.124 9.210 1.00 0.00 C ATOM 147 C PRO A 8 4.645 12.933 9.415 1.00 0.00 C ATOM 148 O PRO A 8 4.372 12.051 10.229 1.00 0.00 O ATOM 149 CB PRO A 8 3.191 14.631 10.547 1.00 0.00 C ATOM 150 CG PRO A 8 1.960 13.826 10.801 1.00 0.00 C ATOM 151 CD PRO A 8 1.407 13.423 9.452 1.00 0.00 C ATOM 0 HA PRO A 8 4.314 14.846 8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.927 14.491 11.339 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.966 15.697 10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.192 12.946 11.401 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.227 14.408 11.360 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.173 12.359 9.418 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.487 13.960 9.221 1.00 0.00 H new ATOM 159 N ASP A 9 5.748 12.915 8.672 1.00 0.00 N ATOM 160 CA ASP A 9 6.726 11.835 8.773 1.00 0.00 C ATOM 161 C ASP A 9 6.064 10.472 8.588 1.00 0.00 C ATOM 162 O ASP A 9 6.385 9.513 9.289 1.00 0.00 O ATOM 163 CB ASP A 9 7.435 11.888 10.128 1.00 0.00 C ATOM 164 CG ASP A 9 8.900 11.511 10.030 1.00 0.00 C ATOM 165 OD1 ASP A 9 9.708 12.371 9.619 1.00 0.00 O ATOM 166 OD2 ASP A 9 9.239 10.357 10.366 1.00 0.00 O ATOM 0 H ASP A 9 5.988 13.637 7.992 1.00 0.00 H new ATOM 0 HA ASP A 9 7.458 11.971 7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.348 12.893 10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.935 11.213 10.823 1.00 0.00 H new ATOM 171 N PHE A 10 5.140 10.394 7.636 1.00 0.00 N ATOM 172 CA PHE A 10 4.434 9.149 7.358 1.00 0.00 C ATOM 173 C PHE A 10 3.932 9.117 5.917 1.00 0.00 C ATOM 174 O PHE A 10 2.728 9.157 5.666 1.00 0.00 O ATOM 175 CB PHE A 10 3.263 8.977 8.327 1.00 0.00 C ATOM 176 CG PHE A 10 3.056 7.558 8.773 1.00 0.00 C ATOM 177 CD1 PHE A 10 2.893 6.544 7.844 1.00 0.00 C ATOM 178 CD2 PHE A 10 3.025 7.239 10.121 1.00 0.00 C ATOM 179 CE1 PHE A 10 2.703 5.237 8.251 1.00 0.00 C ATOM 180 CE2 PHE A 10 2.834 5.934 10.534 1.00 0.00 C ATOM 181 CZ PHE A 10 2.674 4.931 9.598 1.00 0.00 C ATOM 0 H PHE A 10 4.863 11.178 7.045 1.00 0.00 H new ATOM 0 HA PHE A 10 5.133 8.324 7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.432 9.603 9.203 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.351 9.336 7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.915 6.777 6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.152 8.019 10.857 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.577 4.455 7.517 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.810 5.699 11.588 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.527 3.910 9.918 1.00 0.00 H new ATOM 191 N PRO A 11 4.857 9.043 4.945 1.00 0.00 N ATOM 192 CA PRO A 11 4.502 9.003 3.522 1.00 0.00 C ATOM 193 C PRO A 11 3.851 7.683 3.125 1.00 0.00 C ATOM 194 O PRO A 11 4.468 6.850 2.460 1.00 0.00 O ATOM 195 CB PRO A 11 5.849 9.174 2.816 1.00 0.00 C ATOM 196 CG PRO A 11 6.854 8.661 3.788 1.00 0.00 C ATOM 197 CD PRO A 11 6.316 8.989 5.154 1.00 0.00 C ATOM 0 HA PRO A 11 3.771 9.768 3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.880 8.614 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.036 10.219 2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.995 7.586 3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.825 9.129 3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.589 8.229 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.704 9.939 5.521 1.00 0.00 H new ATOM 205 N LYS A 12 2.602 7.498 3.537 1.00 0.00 N ATOM 206 CA LYS A 12 1.864 6.280 3.223 1.00 0.00 C ATOM 207 C LYS A 12 0.736 6.565 2.238 1.00 0.00 C ATOM 208 O LYS A 12 0.171 7.659 2.227 1.00 0.00 O ATOM 209 CB LYS A 12 1.296 5.657 4.500 1.00 0.00 C ATOM 210 CG LYS A 12 1.061 4.158 4.392 1.00 0.00 C ATOM 211 CD LYS A 12 0.232 3.638 5.555 1.00 0.00 C ATOM 212 CE LYS A 12 0.035 2.134 5.470 1.00 0.00 C ATOM 213 NZ LYS A 12 -0.867 1.754 4.347 1.00 0.00 N ATOM 0 H LYS A 12 2.079 8.177 4.090 1.00 0.00 H new ATOM 0 HA LYS A 12 2.556 5.576 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.981 5.851 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.354 6.147 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.553 3.935 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.019 3.639 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.724 3.889 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.739 4.133 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.002 1.648 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.381 1.769 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.043 0.729 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.769 2.263 4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.419 2.004 3.442 1.00 0.00 H new ATOM 227 N LYS A 13 0.415 5.574 1.411 1.00 0.00 N ATOM 228 CA LYS A 13 -0.646 5.715 0.418 1.00 0.00 C ATOM 229 C LYS A 13 -0.793 4.443 -0.416 1.00 0.00 C ATOM 230 O LYS A 13 -1.867 3.842 -0.452 1.00 0.00 O ATOM 231 CB LYS A 13 -0.370 6.910 -0.497 1.00 0.00 C ATOM 232 CG LYS A 13 -1.623 7.683 -0.878 1.00 0.00 C ATOM 233 CD LYS A 13 -2.370 8.181 0.352 1.00 0.00 C ATOM 234 CE LYS A 13 -3.762 7.577 0.442 1.00 0.00 C ATOM 235 NZ LYS A 13 -4.781 8.590 0.836 1.00 0.00 N ATOM 0 H LYS A 13 0.875 4.664 1.409 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.581 5.886 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.327 7.585 -0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.120 6.557 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.351 8.531 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.279 7.045 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.804 7.929 1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.446 9.268 0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.033 7.144 -0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.759 6.764 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.717 8.139 0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.536 8.985 1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.802 9.354 0.130 1.00 0.00 H new ATOM 249 N PRO A 14 0.283 4.008 -1.102 1.00 0.00 N ATOM 250 CA PRO A 14 0.255 2.801 -1.934 1.00 0.00 C ATOM 251 C PRO A 14 -0.368 1.614 -1.209 1.00 0.00 C ATOM 252 O PRO A 14 -0.687 1.695 -0.022 1.00 0.00 O ATOM 253 CB PRO A 14 1.736 2.526 -2.243 1.00 0.00 C ATOM 254 CG PRO A 14 2.515 3.478 -1.395 1.00 0.00 C ATOM 255 CD PRO A 14 1.607 4.643 -1.131 1.00 0.00 C ATOM 0 HA PRO A 14 -0.353 2.944 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.998 1.493 -2.012 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.950 2.680 -3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.823 3.006 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.423 3.800 -1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.842 5.136 -0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.678 5.399 -1.913 1.00 0.00 H new ATOM 263 N LEU A 15 -0.538 0.513 -1.929 1.00 0.00 N ATOM 264 CA LEU A 15 -1.124 -0.692 -1.357 1.00 0.00 C ATOM 265 C LEU A 15 -0.042 -1.638 -0.852 1.00 0.00 C ATOM 266 O LEU A 15 1.147 -1.418 -1.082 1.00 0.00 O ATOM 267 CB LEU A 15 -1.995 -1.404 -2.393 1.00 0.00 C ATOM 268 CG LEU A 15 -3.302 -0.690 -2.738 1.00 0.00 C ATOM 269 CD1 LEU A 15 -3.676 -0.936 -4.192 1.00 0.00 C ATOM 270 CD2 LEU A 15 -4.419 -1.151 -1.812 1.00 0.00 C ATOM 0 H LEU A 15 -0.278 0.429 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.745 -0.395 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.415 -1.531 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.230 -2.402 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.159 0.381 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.609 -0.420 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.885 -0.559 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.802 -2.006 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.343 -0.633 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.562 -2.226 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.153 -0.924 -0.780 1.00 0.00 H new ATOM 282 N THR A 16 -0.463 -2.694 -0.165 1.00 0.00 N ATOM 283 CA THR A 16 0.466 -3.680 0.373 1.00 0.00 C ATOM 284 C THR A 16 0.677 -4.820 -0.621 1.00 0.00 C ATOM 285 O THR A 16 -0.060 -4.943 -1.598 1.00 0.00 O ATOM 286 CB THR A 16 -0.060 -4.229 1.703 1.00 0.00 C ATOM 287 OG1 THR A 16 -1.427 -4.590 1.594 1.00 0.00 O ATOM 288 CG2 THR A 16 0.069 -3.247 2.847 1.00 0.00 C ATOM 0 H THR A 16 -1.444 -2.889 0.033 1.00 0.00 H new ATOM 0 HA THR A 16 1.425 -3.192 0.546 1.00 0.00 H new ATOM 0 HB THR A 16 0.559 -5.099 1.921 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.743 -4.939 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.322 -3.698 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.119 -2.990 2.990 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.497 -2.344 2.617 1.00 0.00 H new ATOM 296 N PRO A 17 1.689 -5.675 -0.386 1.00 0.00 N ATOM 297 CA PRO A 17 1.982 -6.807 -1.271 1.00 0.00 C ATOM 298 C PRO A 17 0.804 -7.769 -1.369 1.00 0.00 C ATOM 299 O PRO A 17 0.500 -8.290 -2.441 1.00 0.00 O ATOM 300 CB PRO A 17 3.185 -7.495 -0.614 1.00 0.00 C ATOM 301 CG PRO A 17 3.756 -6.488 0.327 1.00 0.00 C ATOM 302 CD PRO A 17 2.616 -5.612 0.756 1.00 0.00 C ATOM 0 HA PRO A 17 2.181 -6.482 -2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.880 -8.398 -0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.920 -7.796 -1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.215 -6.977 1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.535 -5.901 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.151 -5.977 1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.945 -4.591 0.951 1.00 0.00 H new ATOM 310 N TYR A 18 0.140 -7.995 -0.239 1.00 0.00 N ATOM 311 CA TYR A 18 -1.012 -8.889 -0.193 1.00 0.00 C ATOM 312 C TYR A 18 -2.203 -8.269 -0.915 1.00 0.00 C ATOM 313 O TYR A 18 -3.001 -8.973 -1.535 1.00 0.00 O ATOM 314 CB TYR A 18 -1.383 -9.202 1.259 1.00 0.00 C ATOM 315 CG TYR A 18 -2.520 -10.191 1.400 1.00 0.00 C ATOM 316 CD1 TYR A 18 -2.620 -11.290 0.556 1.00 0.00 C ATOM 317 CD2 TYR A 18 -3.494 -10.024 2.378 1.00 0.00 C ATOM 318 CE1 TYR A 18 -3.656 -12.195 0.682 1.00 0.00 C ATOM 319 CE2 TYR A 18 -4.533 -10.926 2.511 1.00 0.00 C ATOM 320 CZ TYR A 18 -4.611 -12.009 1.661 1.00 0.00 C ATOM 321 OH TYR A 18 -5.645 -12.907 1.790 1.00 0.00 O ATOM 0 H TYR A 18 0.380 -7.571 0.657 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.746 -9.817 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.505 -9.596 1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.656 -8.275 1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.875 -11.439 -0.212 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.438 -9.176 3.044 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.718 -13.044 0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.280 -10.783 3.277 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.228 -12.631 2.527 1.00 0.00 H new ATOM 331 N PHE A 19 -2.315 -6.946 -0.832 1.00 0.00 N ATOM 332 CA PHE A 19 -3.408 -6.229 -1.480 1.00 0.00 C ATOM 333 C PHE A 19 -3.243 -6.251 -2.996 1.00 0.00 C ATOM 334 O PHE A 19 -4.167 -6.610 -3.725 1.00 0.00 O ATOM 335 CB PHE A 19 -3.471 -4.785 -0.976 1.00 0.00 C ATOM 336 CG PHE A 19 -4.777 -4.436 -0.317 1.00 0.00 C ATOM 337 CD1 PHE A 19 -5.979 -4.855 -0.864 1.00 0.00 C ATOM 338 CD2 PHE A 19 -4.801 -3.687 0.848 1.00 0.00 C ATOM 339 CE1 PHE A 19 -7.180 -4.536 -0.260 1.00 0.00 C ATOM 340 CE2 PHE A 19 -5.999 -3.363 1.456 1.00 0.00 C ATOM 341 CZ PHE A 19 -7.189 -3.787 0.902 1.00 0.00 C ATOM 0 H PHE A 19 -1.663 -6.350 -0.323 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.343 -6.730 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.660 -4.620 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.304 -4.108 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.977 -5.438 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.872 -3.352 1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.110 -4.871 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.004 -2.778 2.364 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.126 -3.534 1.375 1.00 0.00 H new ATOM 351 N ARG A 20 -2.055 -5.878 -3.466 1.00 0.00 N ATOM 352 CA ARG A 20 -1.769 -5.868 -4.897 1.00 0.00 C ATOM 353 C ARG A 20 -1.738 -7.290 -5.463 1.00 0.00 C ATOM 354 O ARG A 20 -1.624 -7.481 -6.672 1.00 0.00 O ATOM 355 CB ARG A 20 -0.438 -5.164 -5.173 1.00 0.00 C ATOM 356 CG ARG A 20 0.753 -5.816 -4.491 1.00 0.00 C ATOM 357 CD ARG A 20 1.983 -4.920 -4.544 1.00 0.00 C ATOM 358 NE ARG A 20 1.667 -3.534 -4.207 1.00 0.00 N ATOM 359 CZ ARG A 20 2.376 -2.486 -4.626 1.00 0.00 C ATOM 360 NH1 ARG A 20 3.448 -2.661 -5.389 1.00 0.00 N ATOM 361 NH2 ARG A 20 2.010 -1.259 -4.279 1.00 0.00 N ATOM 0 H ARG A 20 -1.277 -5.579 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.569 -5.319 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.264 -5.145 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.511 -4.127 -4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.505 -6.034 -3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.974 -6.768 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.737 -5.298 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.418 -4.960 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 20 0.855 -3.358 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.734 -3.602 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.986 -1.854 -5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.187 -1.119 -3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.551 -0.456 -4.599 1.00 0.00 H new ATOM 375 N PHE A 21 -1.836 -8.279 -4.578 1.00 0.00 N ATOM 376 CA PHE A 21 -1.826 -9.681 -4.974 1.00 0.00 C ATOM 377 C PHE A 21 -3.248 -10.237 -5.002 1.00 0.00 C ATOM 378 O PHE A 21 -3.621 -10.993 -5.904 1.00 0.00 O ATOM 379 CB PHE A 21 -0.971 -10.478 -3.985 1.00 0.00 C ATOM 380 CG PHE A 21 -0.652 -11.875 -4.431 1.00 0.00 C ATOM 381 CD1 PHE A 21 -1.648 -12.833 -4.529 1.00 0.00 C ATOM 382 CD2 PHE A 21 0.650 -12.232 -4.740 1.00 0.00 C ATOM 383 CE1 PHE A 21 -1.349 -14.122 -4.928 1.00 0.00 C ATOM 384 CE2 PHE A 21 0.955 -13.517 -5.141 1.00 0.00 C ATOM 385 CZ PHE A 21 -0.046 -14.465 -5.236 1.00 0.00 C ATOM 0 H PHE A 21 -1.924 -8.131 -3.573 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.403 -9.767 -5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.038 -9.941 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.491 -10.524 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.668 -12.570 -4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.437 -11.496 -4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.133 -14.861 -4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.974 -13.781 -5.380 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.189 -15.471 -5.550 1.00 0.00 H new ATOM 395 N PHE A 22 -4.036 -9.843 -4.008 1.00 0.00 N ATOM 396 CA PHE A 22 -5.419 -10.284 -3.894 1.00 0.00 C ATOM 397 C PHE A 22 -6.313 -9.402 -4.747 1.00 0.00 C ATOM 398 O PHE A 22 -7.080 -9.885 -5.581 1.00 0.00 O ATOM 399 CB PHE A 22 -5.841 -10.227 -2.417 1.00 0.00 C ATOM 400 CG PHE A 22 -7.324 -10.295 -2.176 1.00 0.00 C ATOM 401 CD1 PHE A 22 -8.132 -9.193 -2.406 1.00 0.00 C ATOM 402 CD2 PHE A 22 -7.907 -11.459 -1.700 1.00 0.00 C ATOM 403 CE1 PHE A 22 -9.492 -9.251 -2.170 1.00 0.00 C ATOM 404 CE2 PHE A 22 -9.265 -11.523 -1.460 1.00 0.00 C ATOM 405 CZ PHE A 22 -10.059 -10.418 -1.696 1.00 0.00 C ATOM 0 H PHE A 22 -3.736 -9.213 -3.264 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.515 -11.309 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.364 -11.051 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.459 -9.304 -1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.693 -8.277 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.291 -12.327 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.111 -8.386 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.706 -12.436 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.122 -10.466 -1.510 1.00 0.00 H new ATOM 415 N MET A 23 -6.192 -8.103 -4.535 1.00 0.00 N ATOM 416 CA MET A 23 -6.969 -7.122 -5.267 1.00 0.00 C ATOM 417 C MET A 23 -6.683 -7.188 -6.770 1.00 0.00 C ATOM 418 O MET A 23 -7.426 -6.627 -7.574 1.00 0.00 O ATOM 419 CB MET A 23 -6.664 -5.731 -4.694 1.00 0.00 C ATOM 420 CG MET A 23 -5.700 -4.879 -5.517 1.00 0.00 C ATOM 421 SD MET A 23 -6.200 -3.147 -5.595 1.00 0.00 S ATOM 422 CE MET A 23 -7.320 -3.182 -6.992 1.00 0.00 C ATOM 0 H MET A 23 -5.552 -7.700 -3.850 1.00 0.00 H new ATOM 0 HA MET A 23 -8.031 -7.337 -5.148 1.00 0.00 H new ATOM 0 HB2 MET A 23 -7.603 -5.187 -4.588 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.251 -5.852 -3.693 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.702 -4.946 -5.085 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.637 -5.281 -6.528 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.714 -2.181 -7.167 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.785 -3.522 -7.879 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.143 -3.864 -6.781 1.00 0.00 H new ATOM 432 N GLU A 24 -5.596 -7.860 -7.139 1.00 0.00 N ATOM 433 CA GLU A 24 -5.210 -7.977 -8.537 1.00 0.00 C ATOM 434 C GLU A 24 -5.805 -9.228 -9.185 1.00 0.00 C ATOM 435 O GLU A 24 -6.410 -9.150 -10.255 1.00 0.00 O ATOM 436 CB GLU A 24 -3.680 -7.994 -8.645 1.00 0.00 C ATOM 437 CG GLU A 24 -3.132 -8.968 -9.675 1.00 0.00 C ATOM 438 CD GLU A 24 -1.681 -8.695 -10.024 1.00 0.00 C ATOM 439 OE1 GLU A 24 -1.424 -7.738 -10.782 1.00 0.00 O ATOM 440 OE2 GLU A 24 -0.804 -9.441 -9.540 1.00 0.00 O ATOM 0 H GLU A 24 -4.968 -8.331 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.605 -7.115 -9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.335 -6.990 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.262 -8.243 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.225 -9.985 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.736 -8.911 -10.580 1.00 0.00 H new ATOM 447 N LYS A 25 -5.612 -10.382 -8.552 1.00 0.00 N ATOM 448 CA LYS A 25 -6.119 -11.632 -9.105 1.00 0.00 C ATOM 449 C LYS A 25 -7.561 -11.913 -8.680 1.00 0.00 C ATOM 450 O LYS A 25 -8.183 -12.851 -9.179 1.00 0.00 O ATOM 451 CB LYS A 25 -5.206 -12.794 -8.707 1.00 0.00 C ATOM 452 CG LYS A 25 -5.558 -13.428 -7.373 1.00 0.00 C ATOM 453 CD LYS A 25 -4.315 -13.910 -6.643 1.00 0.00 C ATOM 454 CE LYS A 25 -4.004 -15.362 -6.968 1.00 0.00 C ATOM 455 NZ LYS A 25 -2.951 -15.485 -8.013 1.00 0.00 N ATOM 0 H LYS A 25 -5.114 -10.477 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.121 -11.531 -10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.249 -13.558 -9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.177 -12.437 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.088 -12.705 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.235 -14.267 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.465 -13.285 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.458 -13.799 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.678 -15.875 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.912 -15.860 -7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.769 -16.491 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.271 -15.018 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.076 -15.032 -7.679 1.00 0.00 H new ATOM 469 N ARG A 26 -8.103 -11.099 -7.773 1.00 0.00 N ATOM 470 CA ARG A 26 -9.480 -11.287 -7.321 1.00 0.00 C ATOM 471 C ARG A 26 -10.403 -11.351 -8.524 1.00 0.00 C ATOM 472 O ARG A 26 -11.373 -12.109 -8.550 1.00 0.00 O ATOM 473 CB ARG A 26 -9.922 -10.143 -6.399 1.00 0.00 C ATOM 474 CG ARG A 26 -9.829 -10.452 -4.908 1.00 0.00 C ATOM 475 CD ARG A 26 -10.197 -11.894 -4.579 1.00 0.00 C ATOM 476 NE ARG A 26 -11.264 -12.427 -5.423 1.00 0.00 N ATOM 477 CZ ARG A 26 -12.485 -11.901 -5.510 1.00 0.00 C ATOM 478 NH1 ARG A 26 -12.827 -10.859 -4.763 1.00 0.00 N ATOM 479 NH2 ARG A 26 -13.377 -12.438 -6.330 1.00 0.00 N ATOM 0 H ARG A 26 -7.616 -10.313 -7.342 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.532 -12.220 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.311 -9.266 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.952 -9.880 -6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.814 -10.253 -4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.489 -9.779 -4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.312 -12.521 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.505 -11.954 -3.535 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.061 -13.256 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.152 -10.453 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.764 -10.464 -4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.128 -13.252 -6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.313 -12.038 -6.399 1.00 0.00 H new ATOM 493 N ALA A 27 -10.066 -10.557 -9.528 1.00 0.00 N ATOM 494 CA ALA A 27 -10.830 -10.518 -10.764 1.00 0.00 C ATOM 495 C ALA A 27 -10.799 -11.884 -11.420 1.00 0.00 C ATOM 496 O ALA A 27 -11.794 -12.353 -11.973 1.00 0.00 O ATOM 497 CB ALA A 27 -10.260 -9.467 -11.702 1.00 0.00 C ATOM 0 H ALA A 27 -9.264 -9.928 -9.510 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.863 -10.253 -10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.841 -9.448 -12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.307 -8.489 -11.224 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.222 -9.709 -11.932 1.00 0.00 H new ATOM 503 N LYS A 28 -9.641 -12.527 -11.331 1.00 0.00 N ATOM 504 CA LYS A 28 -9.458 -13.858 -11.890 1.00 0.00 C ATOM 505 C LYS A 28 -10.153 -14.903 -11.019 1.00 0.00 C ATOM 506 O LYS A 28 -10.302 -16.059 -11.413 1.00 0.00 O ATOM 507 CB LYS A 28 -7.968 -14.185 -12.011 1.00 0.00 C ATOM 508 CG LYS A 28 -7.265 -13.405 -13.110 1.00 0.00 C ATOM 509 CD LYS A 28 -7.182 -14.210 -14.398 1.00 0.00 C ATOM 510 CE LYS A 28 -8.564 -14.581 -14.912 1.00 0.00 C ATOM 511 NZ LYS A 28 -8.495 -15.360 -16.180 1.00 0.00 N ATOM 0 H LYS A 28 -8.812 -12.145 -10.875 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.904 -13.877 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.480 -13.977 -11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.852 -15.252 -12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.800 -12.473 -13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.261 -13.136 -12.782 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.653 -13.632 -15.156 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.601 -15.116 -14.225 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.088 -15.165 -14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.146 -13.674 -15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.458 -15.593 -16.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.018 -14.793 -16.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.961 -16.238 -16.019 1.00 0.00 H new ATOM 525 N TYR A 29 -10.570 -14.479 -9.830 1.00 0.00 N ATOM 526 CA TYR A 29 -11.244 -15.356 -8.884 1.00 0.00 C ATOM 527 C TYR A 29 -12.755 -15.146 -8.911 1.00 0.00 C ATOM 528 O TYR A 29 -13.526 -16.090 -8.747 1.00 0.00 O ATOM 529 CB TYR A 29 -10.710 -15.095 -7.479 1.00 0.00 C ATOM 530 CG TYR A 29 -9.609 -16.035 -7.062 1.00 0.00 C ATOM 531 CD1 TYR A 29 -8.756 -16.605 -7.998 1.00 0.00 C ATOM 532 CD2 TYR A 29 -9.428 -16.356 -5.728 1.00 0.00 C ATOM 533 CE1 TYR A 29 -7.754 -17.471 -7.612 1.00 0.00 C ATOM 534 CE2 TYR A 29 -8.430 -17.217 -5.333 1.00 0.00 C ATOM 535 CZ TYR A 29 -7.594 -17.775 -6.276 1.00 0.00 C ATOM 536 OH TYR A 29 -6.598 -18.638 -5.884 1.00 0.00 O ATOM 0 H TYR A 29 -10.450 -13.522 -9.498 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.043 -16.388 -9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.340 -14.071 -7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.532 -15.175 -6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.879 -16.367 -9.044 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.081 -15.923 -4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.099 -17.908 -8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.302 -17.455 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.260 -19.124 -6.665 1.00 0.00 H new ATOM 546 N ALA A 30 -13.170 -13.901 -9.119 1.00 0.00 N ATOM 547 CA ALA A 30 -14.588 -13.572 -9.167 1.00 0.00 C ATOM 548 C ALA A 30 -15.218 -14.104 -10.445 1.00 0.00 C ATOM 549 O ALA A 30 -16.435 -14.270 -10.534 1.00 0.00 O ATOM 550 CB ALA A 30 -14.784 -12.065 -9.062 1.00 0.00 C ATOM 0 H ALA A 30 -12.546 -13.106 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.082 -14.047 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -15.848 -11.833 -9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.368 -11.709 -8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.276 -11.573 -9.892 1.00 0.00 H new ATOM 556 N LYS A 31 -14.374 -14.369 -11.433 1.00 0.00 N ATOM 557 CA LYS A 31 -14.822 -14.883 -12.715 1.00 0.00 C ATOM 558 C LYS A 31 -14.910 -16.407 -12.688 1.00 0.00 C ATOM 559 O LYS A 31 -15.734 -17.007 -13.380 1.00 0.00 O ATOM 560 CB LYS A 31 -13.856 -14.431 -13.807 1.00 0.00 C ATOM 561 CG LYS A 31 -14.538 -13.738 -14.973 1.00 0.00 C ATOM 562 CD LYS A 31 -15.181 -12.428 -14.545 1.00 0.00 C ATOM 563 CE LYS A 31 -16.300 -12.022 -15.491 1.00 0.00 C ATOM 564 NZ LYS A 31 -17.587 -12.689 -15.147 1.00 0.00 N ATOM 0 H LYS A 31 -13.365 -14.234 -11.367 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.817 -14.491 -12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.121 -13.754 -13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.310 -15.298 -14.179 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.809 -13.546 -15.760 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.297 -14.396 -15.395 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.576 -12.528 -13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.425 -11.643 -14.515 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.431 -10.940 -15.456 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.021 -12.276 -16.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.324 -12.386 -15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.470 -13.721 -15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.867 -12.426 -14.180 1.00 0.00 H new ATOM 578 N LEU A 32 -14.050 -17.026 -11.885 1.00 0.00 N ATOM 579 CA LEU A 32 -14.020 -18.480 -11.764 1.00 0.00 C ATOM 580 C LEU A 32 -14.808 -18.963 -10.546 1.00 0.00 C ATOM 581 O LEU A 32 -14.915 -20.166 -10.309 1.00 0.00 O ATOM 582 CB LEU A 32 -12.574 -18.966 -11.668 1.00 0.00 C ATOM 583 CG LEU A 32 -12.405 -20.488 -11.607 1.00 0.00 C ATOM 584 CD1 LEU A 32 -11.515 -20.976 -12.740 1.00 0.00 C ATOM 585 CD2 LEU A 32 -11.832 -20.909 -10.260 1.00 0.00 C ATOM 0 H LEU A 32 -13.363 -16.542 -11.307 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.491 -18.896 -12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.022 -18.588 -12.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.118 -18.529 -10.780 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.388 -20.945 -11.722 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.408 -22.059 -12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.965 -20.710 -13.697 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.533 -20.509 -12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.719 -21.993 -10.235 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.859 -20.439 -10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.507 -20.596 -9.464 1.00 0.00 H new ATOM 597 N HIS A 33 -15.353 -18.028 -9.771 1.00 0.00 N ATOM 598 CA HIS A 33 -16.120 -18.383 -8.580 1.00 0.00 C ATOM 599 C HIS A 33 -17.557 -17.868 -8.670 1.00 0.00 C ATOM 600 O HIS A 33 -18.030 -17.157 -7.783 1.00 0.00 O ATOM 601 CB HIS A 33 -15.436 -17.833 -7.326 1.00 0.00 C ATOM 602 CG HIS A 33 -14.163 -18.549 -6.998 1.00 0.00 C ATOM 603 ND1 HIS A 33 -13.995 -19.298 -5.854 1.00 0.00 N ATOM 604 CD2 HIS A 33 -12.998 -18.645 -7.682 1.00 0.00 C ATOM 605 CE1 HIS A 33 -12.783 -19.824 -5.848 1.00 0.00 C ATOM 606 NE2 HIS A 33 -12.159 -19.442 -6.945 1.00 0.00 N ATOM 0 H HIS A 33 -15.279 -17.026 -9.945 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.157 -19.470 -8.516 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -15.225 -16.773 -7.468 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.120 -17.911 -6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.772 -18.181 -8.631 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.373 -20.459 -5.076 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.206 -19.698 -7.204 1.00 0.00 H new ATOM 615 N PRO A 34 -18.276 -18.233 -9.747 1.00 0.00 N ATOM 616 CA PRO A 34 -19.666 -17.814 -9.949 1.00 0.00 C ATOM 617 C PRO A 34 -20.633 -18.555 -9.030 1.00 0.00 C ATOM 618 O PRO A 34 -21.750 -18.095 -8.789 1.00 0.00 O ATOM 619 CB PRO A 34 -19.933 -18.182 -11.409 1.00 0.00 C ATOM 620 CG PRO A 34 -19.031 -19.337 -11.669 1.00 0.00 C ATOM 621 CD PRO A 34 -17.793 -19.086 -10.852 1.00 0.00 C ATOM 0 HA PRO A 34 -19.812 -16.757 -9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -20.978 -18.450 -11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.714 -17.348 -12.076 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.505 -20.275 -11.381 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.790 -19.414 -12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -17.361 -20.016 -10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.021 -18.586 -11.437 1.00 0.00 H new ATOM 629 N GLU A 35 -20.199 -19.704 -8.518 1.00 0.00 N ATOM 630 CA GLU A 35 -21.029 -20.504 -7.628 1.00 0.00 C ATOM 631 C GLU A 35 -20.583 -20.358 -6.178 1.00 0.00 C ATOM 632 O GLU A 35 -20.927 -21.176 -5.324 1.00 0.00 O ATOM 633 CB GLU A 35 -20.989 -21.976 -8.046 1.00 0.00 C ATOM 634 CG GLU A 35 -21.916 -22.862 -7.233 1.00 0.00 C ATOM 635 CD GLU A 35 -22.900 -23.629 -8.097 1.00 0.00 C ATOM 636 OE1 GLU A 35 -23.231 -23.138 -9.197 1.00 0.00 O ATOM 637 OE2 GLU A 35 -23.338 -24.718 -7.674 1.00 0.00 O ATOM 0 H GLU A 35 -19.278 -20.100 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 35 -22.053 -20.139 -7.705 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.257 -22.054 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.968 -22.346 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.321 -23.568 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.466 -22.248 -6.520 1.00 0.00 H new ATOM 644 N MET A 36 -19.822 -19.307 -5.905 1.00 0.00 N ATOM 645 CA MET A 36 -19.334 -19.041 -4.557 1.00 0.00 C ATOM 646 C MET A 36 -19.920 -17.735 -4.028 1.00 0.00 C ATOM 647 O MET A 36 -20.876 -17.204 -4.594 1.00 0.00 O ATOM 648 CB MET A 36 -17.805 -18.978 -4.549 1.00 0.00 C ATOM 649 CG MET A 36 -17.144 -20.210 -5.149 1.00 0.00 C ATOM 650 SD MET A 36 -16.305 -21.225 -3.915 1.00 0.00 S ATOM 651 CE MET A 36 -14.895 -21.809 -4.854 1.00 0.00 C ATOM 0 H MET A 36 -19.528 -18.622 -6.601 1.00 0.00 H new ATOM 0 HA MET A 36 -19.653 -19.854 -3.905 1.00 0.00 H new ATOM 0 HB2 MET A 36 -17.483 -18.096 -5.103 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.460 -18.854 -3.523 1.00 0.00 H new ATOM 0 HG2 MET A 36 -17.899 -20.812 -5.655 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.425 -19.898 -5.906 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.923 -22.897 -4.913 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.929 -21.390 -5.860 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.975 -21.496 -4.361 1.00 0.00 H new ATOM 661 N SER A 37 -19.349 -17.224 -2.945 1.00 0.00 N ATOM 662 CA SER A 37 -19.829 -15.981 -2.348 1.00 0.00 C ATOM 663 C SER A 37 -18.714 -14.942 -2.250 1.00 0.00 C ATOM 664 O SER A 37 -18.867 -13.924 -1.577 1.00 0.00 O ATOM 665 CB SER A 37 -20.398 -16.257 -0.958 1.00 0.00 C ATOM 666 OG SER A 37 -21.804 -16.068 -0.934 1.00 0.00 O ATOM 0 H SER A 37 -18.556 -17.647 -2.463 1.00 0.00 H new ATOM 0 HA SER A 37 -20.611 -15.580 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.160 -17.278 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.927 -15.596 -0.231 1.00 0.00 H new ATOM 0 HG SER A 37 -22.144 -16.253 -0.033 1.00 0.00 H new ATOM 672 N ASN A 38 -17.591 -15.205 -2.922 1.00 0.00 N ATOM 673 CA ASN A 38 -16.444 -14.295 -2.912 1.00 0.00 C ATOM 674 C ASN A 38 -15.630 -14.438 -1.628 1.00 0.00 C ATOM 675 O ASN A 38 -14.447 -14.101 -1.593 1.00 0.00 O ATOM 676 CB ASN A 38 -16.916 -12.853 -3.080 1.00 0.00 C ATOM 677 CG ASN A 38 -16.170 -12.121 -4.177 1.00 0.00 C ATOM 678 OD1 ASN A 38 -15.596 -12.741 -5.073 1.00 0.00 O ATOM 679 ND2 ASN A 38 -16.177 -10.795 -4.115 1.00 0.00 N ATOM 0 H ASN A 38 -17.452 -16.046 -3.483 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.798 -14.560 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.983 -12.847 -3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -16.786 -12.320 -2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.694 -10.249 -4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -16.666 -10.323 -3.354 1.00 0.00 H new ATOM 686 N LEU A 39 -16.260 -14.951 -0.582 1.00 0.00 N ATOM 687 CA LEU A 39 -15.586 -15.152 0.691 1.00 0.00 C ATOM 688 C LEU A 39 -14.834 -16.475 0.668 1.00 0.00 C ATOM 689 O LEU A 39 -13.756 -16.601 1.246 1.00 0.00 O ATOM 690 CB LEU A 39 -16.593 -15.137 1.844 1.00 0.00 C ATOM 691 CG LEU A 39 -16.741 -13.791 2.559 1.00 0.00 C ATOM 692 CD1 LEU A 39 -17.828 -13.868 3.620 1.00 0.00 C ATOM 693 CD2 LEU A 39 -15.417 -13.369 3.180 1.00 0.00 C ATOM 0 H LEU A 39 -17.239 -15.236 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.878 -14.338 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.568 -15.435 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.296 -15.889 2.575 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.031 -13.040 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.919 -12.903 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -18.777 -14.125 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.567 -14.631 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.541 -12.410 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.098 -14.120 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.663 -13.274 2.399 1.00 0.00 H new ATOM 705 N ASP A 40 -15.408 -17.454 -0.025 1.00 0.00 N ATOM 706 CA ASP A 40 -14.794 -18.768 -0.146 1.00 0.00 C ATOM 707 C ASP A 40 -13.484 -18.663 -0.916 1.00 0.00 C ATOM 708 O ASP A 40 -12.531 -19.394 -0.647 1.00 0.00 O ATOM 709 CB ASP A 40 -15.744 -19.735 -0.855 1.00 0.00 C ATOM 710 CG ASP A 40 -16.701 -20.413 0.106 1.00 0.00 C ATOM 711 OD1 ASP A 40 -16.240 -20.897 1.161 1.00 0.00 O ATOM 712 OD2 ASP A 40 -17.912 -20.460 -0.198 1.00 0.00 O ATOM 0 H ASP A 40 -16.299 -17.360 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.588 -19.151 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.314 -19.193 -1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.162 -20.493 -1.379 1.00 0.00 H new ATOM 717 N LEU A 41 -13.444 -17.740 -1.873 1.00 0.00 N ATOM 718 CA LEU A 41 -12.254 -17.525 -2.683 1.00 0.00 C ATOM 719 C LEU A 41 -11.250 -16.642 -1.948 1.00 0.00 C ATOM 720 O LEU A 41 -10.039 -16.761 -2.144 1.00 0.00 O ATOM 721 CB LEU A 41 -12.621 -16.897 -4.031 1.00 0.00 C ATOM 722 CG LEU A 41 -13.686 -15.799 -4.004 1.00 0.00 C ATOM 723 CD1 LEU A 41 -13.034 -14.434 -3.845 1.00 0.00 C ATOM 724 CD2 LEU A 41 -14.519 -15.846 -5.278 1.00 0.00 C ATOM 0 H LEU A 41 -14.226 -17.128 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.793 -18.496 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.715 -16.483 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.965 -17.690 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.343 -15.968 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.804 -13.663 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.471 -14.406 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.359 -14.254 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.274 -15.060 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.872 -15.695 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.009 -16.817 -5.357 1.00 0.00 H new ATOM 736 N THR A 42 -11.759 -15.759 -1.098 1.00 0.00 N ATOM 737 CA THR A 42 -10.907 -14.861 -0.333 1.00 0.00 C ATOM 738 C THR A 42 -9.935 -15.647 0.542 1.00 0.00 C ATOM 739 O THR A 42 -8.745 -15.338 0.591 1.00 0.00 O ATOM 740 CB THR A 42 -11.764 -13.930 0.528 1.00 0.00 C ATOM 741 OG1 THR A 42 -12.602 -13.129 -0.286 1.00 0.00 O ATOM 742 CG2 THR A 42 -10.957 -12.998 1.402 1.00 0.00 C ATOM 0 H THR A 42 -12.757 -15.646 -0.922 1.00 0.00 H new ATOM 0 HA THR A 42 -10.325 -14.261 -1.032 1.00 0.00 H new ATOM 0 HB THR A 42 -12.343 -14.592 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.403 -13.638 -0.531 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.631 -12.369 1.983 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.333 -13.582 2.078 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.324 -12.369 0.776 1.00 0.00 H new ATOM 750 N LYS A 43 -10.444 -16.671 1.222 1.00 0.00 N ATOM 751 CA LYS A 43 -9.606 -17.500 2.084 1.00 0.00 C ATOM 752 C LYS A 43 -8.510 -18.167 1.263 1.00 0.00 C ATOM 753 O LYS A 43 -7.383 -18.337 1.726 1.00 0.00 O ATOM 754 CB LYS A 43 -10.436 -18.573 2.801 1.00 0.00 C ATOM 755 CG LYS A 43 -11.857 -18.147 3.132 1.00 0.00 C ATOM 756 CD LYS A 43 -11.891 -16.809 3.856 1.00 0.00 C ATOM 757 CE LYS A 43 -11.329 -16.922 5.263 1.00 0.00 C ATOM 758 NZ LYS A 43 -12.406 -17.068 6.280 1.00 0.00 N ATOM 0 H LYS A 43 -11.426 -16.946 1.194 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.157 -16.852 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.473 -19.465 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.928 -18.852 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.439 -18.078 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.330 -18.908 3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.317 -16.074 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.917 -16.445 3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.658 -17.780 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.734 -16.037 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.982 -17.142 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.032 -16.238 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.958 -17.926 6.080 1.00 0.00 H new ATOM 772 N ILE A 44 -8.859 -18.538 0.035 1.00 0.00 N ATOM 773 CA ILE A 44 -7.915 -19.184 -0.869 1.00 0.00 C ATOM 774 C ILE A 44 -6.659 -18.340 -1.049 1.00 0.00 C ATOM 775 O ILE A 44 -5.542 -18.853 -1.001 1.00 0.00 O ATOM 776 CB ILE A 44 -8.544 -19.436 -2.255 1.00 0.00 C ATOM 777 CG1 ILE A 44 -9.821 -20.262 -2.126 1.00 0.00 C ATOM 778 CG2 ILE A 44 -7.557 -20.136 -3.176 1.00 0.00 C ATOM 779 CD1 ILE A 44 -10.537 -20.458 -3.443 1.00 0.00 C ATOM 0 H ILE A 44 -9.791 -18.402 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.650 -20.139 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.798 -18.469 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.575 -21.237 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.494 -19.772 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.022 -20.304 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.671 -19.514 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.270 -21.093 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.436 -21.053 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.813 -19.487 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.879 -20.975 -4.141 1.00 0.00 H new ATOM 791 N LEU A 45 -6.850 -17.043 -1.271 1.00 0.00 N ATOM 792 CA LEU A 45 -5.727 -16.135 -1.471 1.00 0.00 C ATOM 793 C LEU A 45 -5.042 -15.783 -0.152 1.00 0.00 C ATOM 794 O LEU A 45 -3.908 -15.302 -0.146 1.00 0.00 O ATOM 795 CB LEU A 45 -6.199 -14.869 -2.183 1.00 0.00 C ATOM 796 CG LEU A 45 -6.810 -15.114 -3.559 1.00 0.00 C ATOM 797 CD1 LEU A 45 -7.438 -13.847 -4.104 1.00 0.00 C ATOM 798 CD2 LEU A 45 -5.759 -15.648 -4.520 1.00 0.00 C ATOM 0 H LEU A 45 -7.767 -16.599 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.992 -16.644 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.935 -14.366 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.354 -14.189 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.595 -15.863 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.867 -14.047 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.223 -13.510 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.677 -13.072 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.212 -15.817 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.951 -14.923 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.360 -16.587 -4.137 1.00 0.00 H new ATOM 810 N SER A 46 -5.721 -16.037 0.961 1.00 0.00 N ATOM 811 CA SER A 46 -5.150 -15.756 2.273 1.00 0.00 C ATOM 812 C SER A 46 -4.200 -16.871 2.685 1.00 0.00 C ATOM 813 O SER A 46 -3.342 -16.687 3.549 1.00 0.00 O ATOM 814 CB SER A 46 -6.254 -15.588 3.319 1.00 0.00 C ATOM 815 OG SER A 46 -7.499 -15.305 2.707 1.00 0.00 O ATOM 0 H SER A 46 -6.660 -16.434 0.982 1.00 0.00 H new ATOM 0 HA SER A 46 -4.591 -14.823 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.336 -16.497 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.991 -14.782 4.004 1.00 0.00 H new ATOM 0 HG SER A 46 -7.347 -14.931 1.814 1.00 0.00 H new ATOM 821 N LYS A 47 -4.359 -18.026 2.051 1.00 0.00 N ATOM 822 CA LYS A 47 -3.526 -19.178 2.330 1.00 0.00 C ATOM 823 C LYS A 47 -2.318 -19.197 1.397 1.00 0.00 C ATOM 824 O LYS A 47 -1.208 -19.535 1.808 1.00 0.00 O ATOM 825 CB LYS A 47 -4.352 -20.447 2.155 1.00 0.00 C ATOM 826 CG LYS A 47 -3.552 -21.726 2.317 1.00 0.00 C ATOM 827 CD LYS A 47 -3.121 -22.291 0.971 1.00 0.00 C ATOM 828 CE LYS A 47 -3.898 -23.548 0.616 1.00 0.00 C ATOM 829 NZ LYS A 47 -4.368 -23.530 -0.796 1.00 0.00 N ATOM 0 H LYS A 47 -5.066 -18.185 1.334 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.162 -19.122 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.165 -20.443 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.809 -20.438 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.671 -21.530 2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.151 -22.466 2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.270 -21.539 0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.055 -22.516 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.267 -24.422 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.755 -23.645 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.893 -24.404 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.990 -22.710 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.549 -23.463 -1.434 1.00 0.00 H new ATOM 843 N LYS A 48 -2.545 -18.827 0.140 1.00 0.00 N ATOM 844 CA LYS A 48 -1.479 -18.796 -0.854 1.00 0.00 C ATOM 845 C LYS A 48 -0.410 -17.781 -0.464 1.00 0.00 C ATOM 846 O LYS A 48 0.766 -18.120 -0.332 1.00 0.00 O ATOM 847 CB LYS A 48 -2.048 -18.451 -2.232 1.00 0.00 C ATOM 848 CG LYS A 48 -2.612 -19.651 -2.976 1.00 0.00 C ATOM 849 CD LYS A 48 -3.901 -19.303 -3.705 1.00 0.00 C ATOM 850 CE LYS A 48 -3.859 -19.750 -5.158 1.00 0.00 C ATOM 851 NZ LYS A 48 -4.574 -21.040 -5.363 1.00 0.00 N ATOM 0 H LYS A 48 -3.459 -18.544 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.022 -19.785 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.834 -17.705 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.263 -17.996 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.875 -20.015 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.799 -20.461 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.744 -19.777 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.067 -18.227 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.308 -18.982 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.822 -19.855 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.522 -21.310 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.130 -21.779 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.570 -20.933 -5.084 1.00 0.00 H new ATOM 865 N TYR A 49 -0.829 -16.530 -0.275 1.00 0.00 N ATOM 866 CA TYR A 49 0.083 -15.463 0.103 1.00 0.00 C ATOM 867 C TYR A 49 0.931 -15.861 1.308 1.00 0.00 C ATOM 868 O TYR A 49 2.080 -15.441 1.438 1.00 0.00 O ATOM 869 CB TYR A 49 -0.707 -14.202 0.424 1.00 0.00 C ATOM 870 CG TYR A 49 0.171 -13.024 0.740 1.00 0.00 C ATOM 871 CD1 TYR A 49 0.836 -12.352 -0.268 1.00 0.00 C ATOM 872 CD2 TYR A 49 0.344 -12.597 2.046 1.00 0.00 C ATOM 873 CE1 TYR A 49 1.653 -11.274 0.011 1.00 0.00 C ATOM 874 CE2 TYR A 49 1.159 -11.521 2.340 1.00 0.00 C ATOM 875 CZ TYR A 49 1.812 -10.862 1.318 1.00 0.00 C ATOM 876 OH TYR A 49 2.625 -9.791 1.606 1.00 0.00 O ATOM 0 H TYR A 49 -1.800 -16.235 -0.379 1.00 0.00 H new ATOM 0 HA TYR A 49 0.753 -15.274 -0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.346 -13.955 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.363 -14.397 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.715 -12.675 -1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.166 -13.113 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.164 -10.757 -0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.284 -11.198 3.363 1.00 0.00 H new ATOM 0 HH TYR A 49 2.626 -9.632 2.573 1.00 0.00 H new ATOM 886 N LYS A 50 0.355 -16.673 2.187 1.00 0.00 N ATOM 887 CA LYS A 50 1.053 -17.126 3.380 1.00 0.00 C ATOM 888 C LYS A 50 2.021 -18.256 3.031 1.00 0.00 C ATOM 889 O LYS A 50 3.132 -18.322 3.556 1.00 0.00 O ATOM 890 CB LYS A 50 0.025 -17.560 4.441 1.00 0.00 C ATOM 891 CG LYS A 50 0.319 -18.880 5.147 1.00 0.00 C ATOM 892 CD LYS A 50 0.864 -18.654 6.550 1.00 0.00 C ATOM 893 CE LYS A 50 2.364 -18.895 6.611 1.00 0.00 C ATOM 894 NZ LYS A 50 2.700 -20.341 6.504 1.00 0.00 N ATOM 0 H LYS A 50 -0.596 -17.031 2.094 1.00 0.00 H new ATOM 0 HA LYS A 50 1.645 -16.309 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.046 -16.775 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.952 -17.634 3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.592 -19.475 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.040 -19.453 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.645 -17.634 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.359 -19.320 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.852 -18.348 5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.757 -18.500 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.691 -20.489 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.078 -20.889 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.567 -20.657 5.522 1.00 0.00 H new ATOM 908 N GLU A 51 1.590 -19.139 2.135 1.00 0.00 N ATOM 909 CA GLU A 51 2.416 -20.262 1.708 1.00 0.00 C ATOM 910 C GLU A 51 3.675 -19.776 0.992 1.00 0.00 C ATOM 911 O GLU A 51 4.653 -20.514 0.868 1.00 0.00 O ATOM 912 CB GLU A 51 1.618 -21.188 0.787 1.00 0.00 C ATOM 913 CG GLU A 51 1.924 -22.663 0.991 1.00 0.00 C ATOM 914 CD GLU A 51 1.620 -23.497 -0.238 1.00 0.00 C ATOM 915 OE1 GLU A 51 0.859 -23.021 -1.107 1.00 0.00 O ATOM 916 OE2 GLU A 51 2.142 -24.628 -0.332 1.00 0.00 O ATOM 0 H GLU A 51 0.673 -19.098 1.691 1.00 0.00 H new ATOM 0 HA GLU A 51 2.718 -20.815 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.554 -21.021 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.826 -20.923 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.976 -22.779 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.342 -23.038 1.833 1.00 0.00 H new ATOM 923 N LEU A 52 3.644 -18.531 0.520 1.00 0.00 N ATOM 924 CA LEU A 52 4.780 -17.946 -0.186 1.00 0.00 C ATOM 925 C LEU A 52 6.083 -18.146 0.590 1.00 0.00 C ATOM 926 O LEU A 52 6.170 -17.813 1.771 1.00 0.00 O ATOM 927 CB LEU A 52 4.540 -16.453 -0.424 1.00 0.00 C ATOM 928 CG LEU A 52 3.917 -16.105 -1.779 1.00 0.00 C ATOM 929 CD1 LEU A 52 3.012 -14.889 -1.659 1.00 0.00 C ATOM 930 CD2 LEU A 52 5.003 -15.861 -2.815 1.00 0.00 C ATOM 0 H LEU A 52 2.842 -17.908 0.615 1.00 0.00 H new ATOM 0 HA LEU A 52 4.875 -18.455 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.891 -16.075 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.491 -15.929 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 52 3.311 -16.950 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.580 -14.659 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.213 -15.099 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.593 -14.036 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.544 -15.615 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.635 -15.033 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.610 -16.760 -2.924 1.00 0.00 H new ATOM 942 N PRO A 53 7.116 -18.700 -0.072 1.00 0.00 N ATOM 943 CA PRO A 53 8.421 -18.948 0.555 1.00 0.00 C ATOM 944 C PRO A 53 9.212 -17.679 0.827 1.00 0.00 C ATOM 945 O PRO A 53 10.439 -17.713 0.935 1.00 0.00 O ATOM 946 CB PRO A 53 9.172 -19.774 -0.483 1.00 0.00 C ATOM 947 CG PRO A 53 8.514 -19.471 -1.785 1.00 0.00 C ATOM 948 CD PRO A 53 7.085 -19.135 -1.481 1.00 0.00 C ATOM 0 HA PRO A 53 8.291 -19.430 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.229 -19.508 -0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.116 -20.838 -0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.009 -18.638 -2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.575 -20.327 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.712 -18.346 -2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.433 -19.998 -1.619 1.00 0.00 H new ATOM 956 N GLU A 54 8.518 -16.561 0.909 1.00 0.00 N ATOM 957 CA GLU A 54 9.158 -15.269 1.140 1.00 0.00 C ATOM 958 C GLU A 54 10.212 -14.991 0.069 1.00 0.00 C ATOM 959 O GLU A 54 11.019 -14.071 0.211 1.00 0.00 O ATOM 960 CB GLU A 54 9.798 -15.186 2.538 1.00 0.00 C ATOM 961 CG GLU A 54 9.710 -16.464 3.360 1.00 0.00 C ATOM 962 CD GLU A 54 9.823 -16.209 4.851 1.00 0.00 C ATOM 963 OE1 GLU A 54 10.824 -15.595 5.273 1.00 0.00 O ATOM 964 OE2 GLU A 54 8.908 -16.622 5.594 1.00 0.00 O ATOM 0 H GLU A 54 7.503 -16.516 0.819 1.00 0.00 H new ATOM 0 HA GLU A 54 8.378 -14.510 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.848 -14.915 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.319 -14.380 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.763 -16.961 3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.503 -17.145 3.051 1.00 0.00 H new ATOM 971 N LYS A 55 10.204 -15.782 -1.005 1.00 0.00 N ATOM 972 CA LYS A 55 11.165 -15.593 -2.084 1.00 0.00 C ATOM 973 C LYS A 55 10.594 -14.675 -3.163 1.00 0.00 C ATOM 974 O LYS A 55 11.332 -13.964 -3.843 1.00 0.00 O ATOM 975 CB LYS A 55 11.573 -16.946 -2.684 1.00 0.00 C ATOM 976 CG LYS A 55 10.600 -17.484 -3.723 1.00 0.00 C ATOM 977 CD LYS A 55 11.094 -17.223 -5.135 1.00 0.00 C ATOM 978 CE LYS A 55 10.499 -18.211 -6.127 1.00 0.00 C ATOM 979 NZ LYS A 55 11.354 -19.421 -6.287 1.00 0.00 N ATOM 0 H LYS A 55 9.549 -16.551 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 55 12.055 -15.118 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.558 -16.846 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.668 -17.675 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.465 -18.556 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.624 -17.018 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.832 -16.207 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.182 -17.292 -5.159 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.506 -18.510 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.375 -17.724 -7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.914 -20.069 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.294 -19.139 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.452 -19.901 -5.369 1.00 0.00 H new ATOM 993 N LYS A 56 9.272 -14.697 -3.309 1.00 0.00 N ATOM 994 CA LYS A 56 8.596 -13.865 -4.299 1.00 0.00 C ATOM 995 C LYS A 56 8.088 -12.573 -3.664 1.00 0.00 C ATOM 996 O LYS A 56 8.002 -11.538 -4.323 1.00 0.00 O ATOM 997 CB LYS A 56 7.432 -14.629 -4.936 1.00 0.00 C ATOM 998 CG LYS A 56 7.749 -16.087 -5.233 1.00 0.00 C ATOM 999 CD LYS A 56 7.075 -16.553 -6.513 1.00 0.00 C ATOM 1000 CE LYS A 56 6.687 -18.021 -6.436 1.00 0.00 C ATOM 1001 NZ LYS A 56 6.209 -18.539 -7.748 1.00 0.00 N ATOM 0 H LYS A 56 8.648 -15.282 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 56 9.317 -13.610 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.570 -14.582 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.146 -14.132 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.828 -16.215 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.421 -16.709 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.186 -15.950 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.747 -16.397 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.545 -18.606 -6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.905 -18.151 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.954 -19.543 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.375 -17.998 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.964 -18.439 -8.457 1.00 0.00 H new ATOM 1015 N LYS A 57 7.766 -12.641 -2.374 1.00 0.00 N ATOM 1016 CA LYS A 57 7.279 -11.477 -1.643 1.00 0.00 C ATOM 1017 C LYS A 57 8.309 -10.362 -1.697 1.00 0.00 C ATOM 1018 O LYS A 57 7.966 -9.190 -1.860 1.00 0.00 O ATOM 1019 CB LYS A 57 6.977 -11.845 -0.191 1.00 0.00 C ATOM 1020 CG LYS A 57 5.962 -12.966 -0.060 1.00 0.00 C ATOM 1021 CD LYS A 57 6.062 -13.658 1.292 1.00 0.00 C ATOM 1022 CE LYS A 57 4.706 -13.761 1.969 1.00 0.00 C ATOM 1023 NZ LYS A 57 4.810 -14.347 3.334 1.00 0.00 N ATOM 0 H LYS A 57 7.834 -13.491 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 57 6.357 -11.132 -2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.903 -12.141 0.303 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.605 -10.963 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.957 -12.565 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.120 -13.695 -0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.480 -14.656 1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.749 -13.106 1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.256 -12.770 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.042 -14.374 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.864 -14.400 3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.216 -15.302 3.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.423 -13.748 3.923 1.00 0.00 H new ATOM 1037 N MET A 58 9.581 -10.738 -1.589 1.00 0.00 N ATOM 1038 CA MET A 58 10.669 -9.776 -1.655 1.00 0.00 C ATOM 1039 C MET A 58 10.479 -8.860 -2.860 1.00 0.00 C ATOM 1040 O MET A 58 10.919 -7.711 -2.860 1.00 0.00 O ATOM 1041 CB MET A 58 12.006 -10.506 -1.751 1.00 0.00 C ATOM 1042 CG MET A 58 12.290 -11.417 -0.568 1.00 0.00 C ATOM 1043 SD MET A 58 12.962 -10.526 0.848 1.00 0.00 S ATOM 1044 CE MET A 58 14.721 -10.714 0.563 1.00 0.00 C ATOM 0 H MET A 58 9.880 -11.704 -1.455 1.00 0.00 H new ATOM 0 HA MET A 58 10.666 -9.170 -0.749 1.00 0.00 H new ATOM 0 HB2 MET A 58 12.022 -11.098 -2.666 1.00 0.00 H new ATOM 0 HB3 MET A 58 12.807 -9.771 -1.833 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.369 -11.920 -0.272 1.00 0.00 H new ATOM 0 HG3 MET A 58 12.993 -12.192 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 58 15.274 -10.214 1.358 1.00 0.00 H new ATOM 0 HE2 MET A 58 14.977 -11.774 0.553 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.984 -10.269 -0.397 1.00 0.00 H new ATOM 1054 N LYS A 59 9.797 -9.383 -3.878 1.00 0.00 N ATOM 1055 CA LYS A 59 9.517 -8.622 -5.086 1.00 0.00 C ATOM 1056 C LYS A 59 8.315 -7.710 -4.855 1.00 0.00 C ATOM 1057 O LYS A 59 8.370 -6.512 -5.130 1.00 0.00 O ATOM 1058 CB LYS A 59 9.265 -9.579 -6.263 1.00 0.00 C ATOM 1059 CG LYS A 59 7.858 -9.516 -6.844 1.00 0.00 C ATOM 1060 CD LYS A 59 7.745 -10.341 -8.117 1.00 0.00 C ATOM 1061 CE LYS A 59 7.287 -11.760 -7.824 1.00 0.00 C ATOM 1062 NZ LYS A 59 6.580 -12.366 -8.986 1.00 0.00 N ATOM 0 H LYS A 59 9.429 -10.334 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 59 10.378 -8.000 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.981 -9.356 -7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.462 -10.599 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.142 -9.881 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.597 -8.479 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.041 -9.864 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.711 -10.366 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.150 -12.373 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.625 -11.756 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.284 -13.334 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.742 -11.795 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.219 -12.393 -9.806 1.00 0.00 H new ATOM 1076 N TYR A 60 7.232 -8.288 -4.336 1.00 0.00 N ATOM 1077 CA TYR A 60 6.023 -7.526 -4.057 1.00 0.00 C ATOM 1078 C TYR A 60 6.321 -6.398 -3.081 1.00 0.00 C ATOM 1079 O TYR A 60 6.000 -5.238 -3.340 1.00 0.00 O ATOM 1080 CB TYR A 60 4.939 -8.419 -3.465 1.00 0.00 C ATOM 1081 CG TYR A 60 4.494 -9.544 -4.368 1.00 0.00 C ATOM 1082 CD1 TYR A 60 4.236 -9.323 -5.715 1.00 0.00 C ATOM 1083 CD2 TYR A 60 4.318 -10.825 -3.867 1.00 0.00 C ATOM 1084 CE1 TYR A 60 3.816 -10.351 -6.536 1.00 0.00 C ATOM 1085 CE2 TYR A 60 3.901 -11.858 -4.679 1.00 0.00 C ATOM 1086 CZ TYR A 60 3.650 -11.617 -6.014 1.00 0.00 C ATOM 1087 OH TYR A 60 3.233 -12.644 -6.829 1.00 0.00 O ATOM 0 H TYR A 60 7.171 -9.279 -4.102 1.00 0.00 H new ATOM 0 HA TYR A 60 5.668 -7.112 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.306 -8.843 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.074 -7.804 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.366 -8.333 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.511 -11.017 -2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.619 -10.165 -7.581 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.772 -12.850 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 60 2.281 -12.817 -6.675 1.00 0.00 H new ATOM 1097 N ILE A 61 6.943 -6.745 -1.955 1.00 0.00 N ATOM 1098 CA ILE A 61 7.283 -5.749 -0.952 1.00 0.00 C ATOM 1099 C ILE A 61 8.202 -4.701 -1.561 1.00 0.00 C ATOM 1100 O ILE A 61 8.117 -3.517 -1.239 1.00 0.00 O ATOM 1101 CB ILE A 61 7.955 -6.369 0.293 1.00 0.00 C ATOM 1102 CG1 ILE A 61 6.944 -7.188 1.101 1.00 0.00 C ATOM 1103 CG2 ILE A 61 8.554 -5.276 1.169 1.00 0.00 C ATOM 1104 CD1 ILE A 61 6.542 -8.493 0.447 1.00 0.00 C ATOM 0 H ILE A 61 7.217 -7.699 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 61 6.351 -5.289 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 61 8.752 -7.032 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.367 -7.401 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.051 -6.585 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.024 -5.727 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.301 -4.722 0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.766 -4.596 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.824 -9.012 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.088 -8.289 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.424 -9.118 0.310 1.00 0.00 H new ATOM 1116 N GLN A 62 9.061 -5.145 -2.474 1.00 0.00 N ATOM 1117 CA GLN A 62 9.968 -4.245 -3.160 1.00 0.00 C ATOM 1118 C GLN A 62 9.167 -3.363 -4.100 1.00 0.00 C ATOM 1119 O GLN A 62 9.553 -2.234 -4.399 1.00 0.00 O ATOM 1120 CB GLN A 62 11.024 -5.030 -3.940 1.00 0.00 C ATOM 1121 CG GLN A 62 12.296 -5.285 -3.149 1.00 0.00 C ATOM 1122 CD GLN A 62 13.260 -4.114 -3.201 1.00 0.00 C ATOM 1123 OE1 GLN A 62 14.197 -4.103 -3.999 1.00 0.00 O ATOM 1124 NE2 GLN A 62 13.030 -3.121 -2.350 1.00 0.00 N ATOM 0 H GLN A 62 9.144 -6.123 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 62 10.486 -3.627 -2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.600 -5.985 -4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.274 -4.483 -4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.038 -5.493 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.790 -6.175 -3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.241 -3.174 -1.706 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.643 -2.306 -2.340 1.00 0.00 H new ATOM 1133 N ASP A 63 8.025 -3.888 -4.541 1.00 0.00 N ATOM 1134 CA ASP A 63 7.138 -3.156 -5.424 1.00 0.00 C ATOM 1135 C ASP A 63 6.281 -2.195 -4.607 1.00 0.00 C ATOM 1136 O ASP A 63 5.903 -1.122 -5.076 1.00 0.00 O ATOM 1137 CB ASP A 63 6.246 -4.120 -6.209 1.00 0.00 C ATOM 1138 CG ASP A 63 5.554 -3.447 -7.378 1.00 0.00 C ATOM 1139 OD1 ASP A 63 5.212 -2.251 -7.256 1.00 0.00 O ATOM 1140 OD2 ASP A 63 5.355 -4.115 -8.415 1.00 0.00 O ATOM 0 H ASP A 63 7.697 -4.822 -4.296 1.00 0.00 H new ATOM 0 HA ASP A 63 7.738 -2.588 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.849 -4.950 -6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.496 -4.542 -5.540 1.00 0.00 H new ATOM 1145 N PHE A 64 5.985 -2.597 -3.373 1.00 0.00 N ATOM 1146 CA PHE A 64 5.182 -1.790 -2.465 1.00 0.00 C ATOM 1147 C PHE A 64 6.026 -0.684 -1.830 1.00 0.00 C ATOM 1148 O PHE A 64 5.507 0.369 -1.459 1.00 0.00 O ATOM 1149 CB PHE A 64 4.571 -2.695 -1.382 1.00 0.00 C ATOM 1150 CG PHE A 64 4.718 -2.181 0.024 1.00 0.00 C ATOM 1151 CD1 PHE A 64 3.857 -1.214 0.518 1.00 0.00 C ATOM 1152 CD2 PHE A 64 5.718 -2.667 0.849 1.00 0.00 C ATOM 1153 CE1 PHE A 64 3.990 -0.742 1.809 1.00 0.00 C ATOM 1154 CE2 PHE A 64 5.857 -2.200 2.142 1.00 0.00 C ATOM 1155 CZ PHE A 64 4.991 -1.235 2.622 1.00 0.00 C ATOM 0 H PHE A 64 6.294 -3.486 -2.979 1.00 0.00 H new ATOM 0 HA PHE A 64 4.380 -1.313 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.511 -2.829 -1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.036 -3.679 -1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.073 -0.825 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.397 -3.420 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.312 0.011 2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.640 -2.588 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.097 -0.867 3.632 1.00 0.00 H new ATOM 1165 N GLN A 65 7.323 -0.938 -1.698 1.00 0.00 N ATOM 1166 CA GLN A 65 8.233 0.026 -1.091 1.00 0.00 C ATOM 1167 C GLN A 65 8.821 0.978 -2.131 1.00 0.00 C ATOM 1168 O GLN A 65 8.960 2.176 -1.877 1.00 0.00 O ATOM 1169 CB GLN A 65 9.358 -0.705 -0.360 1.00 0.00 C ATOM 1170 CG GLN A 65 8.903 -1.402 0.913 1.00 0.00 C ATOM 1171 CD GLN A 65 9.724 -1.003 2.123 1.00 0.00 C ATOM 1172 OE1 GLN A 65 9.630 0.124 2.608 1.00 0.00 O ATOM 1173 NE2 GLN A 65 10.536 -1.931 2.618 1.00 0.00 N ATOM 0 H GLN A 65 7.768 -1.804 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 65 7.661 0.620 -0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.797 -1.443 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.144 0.009 -0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.855 -1.167 1.097 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.968 -2.481 0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.582 -2.853 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.113 -1.722 3.432 1.00 0.00 H new ATOM 1182 N ARG A 66 9.176 0.445 -3.295 1.00 0.00 N ATOM 1183 CA ARG A 66 9.760 1.260 -4.357 1.00 0.00 C ATOM 1184 C ARG A 66 8.795 2.349 -4.819 1.00 0.00 C ATOM 1185 O ARG A 66 9.218 3.397 -5.304 1.00 0.00 O ATOM 1186 CB ARG A 66 10.187 0.382 -5.537 1.00 0.00 C ATOM 1187 CG ARG A 66 9.036 -0.108 -6.404 1.00 0.00 C ATOM 1188 CD ARG A 66 9.391 -0.048 -7.879 1.00 0.00 C ATOM 1189 NE ARG A 66 9.120 -1.315 -8.556 1.00 0.00 N ATOM 1190 CZ ARG A 66 9.691 -1.682 -9.701 1.00 0.00 C ATOM 1191 NH1 ARG A 66 10.563 -0.883 -10.304 1.00 0.00 N ATOM 1192 NH2 ARG A 66 9.392 -2.855 -10.244 1.00 0.00 N ATOM 0 H ARG A 66 9.071 -0.543 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 66 10.644 1.751 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.882 0.945 -6.160 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.731 -0.482 -5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.782 -1.132 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.152 0.501 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.821 0.749 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.446 0.204 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 66 8.454 -1.956 -8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.799 0.019 -9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.997 -1.171 -11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.725 -3.475 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.829 -3.137 -11.121 1.00 0.00 H new ATOM 1206 N GLU A 67 7.496 2.098 -4.668 1.00 0.00 N ATOM 1207 CA GLU A 67 6.490 3.067 -5.074 1.00 0.00 C ATOM 1208 C GLU A 67 6.243 4.080 -3.955 1.00 0.00 C ATOM 1209 O GLU A 67 5.897 5.233 -4.212 1.00 0.00 O ATOM 1210 CB GLU A 67 5.198 2.336 -5.477 1.00 0.00 C ATOM 1211 CG GLU A 67 3.965 2.705 -4.664 1.00 0.00 C ATOM 1212 CD GLU A 67 3.302 3.977 -5.158 1.00 0.00 C ATOM 1213 OE1 GLU A 67 4.005 4.816 -5.758 1.00 0.00 O ATOM 1214 OE2 GLU A 67 2.081 4.133 -4.945 1.00 0.00 O ATOM 0 H GLU A 67 7.121 1.237 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 67 6.849 3.622 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.996 2.542 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.364 1.262 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.248 1.885 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.247 2.829 -3.618 1.00 0.00 H new ATOM 1221 N LYS A 68 6.429 3.637 -2.714 1.00 0.00 N ATOM 1222 CA LYS A 68 6.235 4.499 -1.554 1.00 0.00 C ATOM 1223 C LYS A 68 7.277 5.613 -1.514 1.00 0.00 C ATOM 1224 O LYS A 68 7.091 6.627 -0.843 1.00 0.00 O ATOM 1225 CB LYS A 68 6.304 3.674 -0.266 1.00 0.00 C ATOM 1226 CG LYS A 68 5.930 4.457 0.982 1.00 0.00 C ATOM 1227 CD LYS A 68 6.744 4.005 2.186 1.00 0.00 C ATOM 1228 CE LYS A 68 5.996 4.243 3.487 1.00 0.00 C ATOM 1229 NZ LYS A 68 6.852 4.906 4.509 1.00 0.00 N ATOM 0 H LYS A 68 6.714 2.684 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 68 5.249 4.957 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.639 2.816 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.315 3.283 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.094 5.521 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.868 4.328 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.980 2.945 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.692 4.542 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.119 4.860 3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.636 3.291 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.257 5.477 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.354 4.183 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.544 5.522 4.036 1.00 0.00 H new ATOM 1243 N GLN A 69 8.374 5.415 -2.235 1.00 0.00 N ATOM 1244 CA GLN A 69 9.445 6.401 -2.281 1.00 0.00 C ATOM 1245 C GLN A 69 9.363 7.253 -3.546 1.00 0.00 C ATOM 1246 O GLN A 69 10.055 8.264 -3.667 1.00 0.00 O ATOM 1247 CB GLN A 69 10.796 5.696 -2.209 1.00 0.00 C ATOM 1248 CG GLN A 69 11.940 6.608 -1.797 1.00 0.00 C ATOM 1249 CD GLN A 69 13.248 5.862 -1.631 1.00 0.00 C ATOM 1250 OE1 GLN A 69 13.610 5.460 -0.524 1.00 0.00 O ATOM 1251 NE2 GLN A 69 13.967 5.673 -2.731 1.00 0.00 N ATOM 0 H GLN A 69 8.545 4.580 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 69 9.335 7.066 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.728 4.871 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.022 5.262 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.064 7.390 -2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.686 7.102 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.629 6.023 -3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.857 5.178 -2.680 1.00 0.00 H new ATOM 1260 N GLU A 70 8.515 6.843 -4.485 1.00 0.00 N ATOM 1261 CA GLU A 70 8.349 7.573 -5.734 1.00 0.00 C ATOM 1262 C GLU A 70 7.266 8.637 -5.599 1.00 0.00 C ATOM 1263 O GLU A 70 7.423 9.759 -6.075 1.00 0.00 O ATOM 1264 CB GLU A 70 7.996 6.609 -6.869 1.00 0.00 C ATOM 1265 CG GLU A 70 8.567 7.022 -8.215 1.00 0.00 C ATOM 1266 CD GLU A 70 9.250 5.875 -8.936 1.00 0.00 C ATOM 1267 OE1 GLU A 70 8.565 4.877 -9.246 1.00 0.00 O ATOM 1268 OE2 GLU A 70 10.469 5.974 -9.190 1.00 0.00 O ATOM 0 H GLU A 70 7.933 6.009 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 70 9.292 8.067 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.363 5.614 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.911 6.537 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.765 7.414 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.282 7.832 -8.069 1.00 0.00 H new ATOM 1275 N PHE A 71 6.167 8.277 -4.942 1.00 0.00 N ATOM 1276 CA PHE A 71 5.057 9.204 -4.743 1.00 0.00 C ATOM 1277 C PHE A 71 5.365 10.210 -3.631 1.00 0.00 C ATOM 1278 O PHE A 71 4.569 11.111 -3.362 1.00 0.00 O ATOM 1279 CB PHE A 71 3.770 8.429 -4.425 1.00 0.00 C ATOM 1280 CG PHE A 71 3.550 8.177 -2.958 1.00 0.00 C ATOM 1281 CD1 PHE A 71 4.369 7.305 -2.261 1.00 0.00 C ATOM 1282 CD2 PHE A 71 2.526 8.818 -2.281 1.00 0.00 C ATOM 1283 CE1 PHE A 71 4.168 7.075 -0.912 1.00 0.00 C ATOM 1284 CE2 PHE A 71 2.322 8.593 -0.934 1.00 0.00 C ATOM 1285 CZ PHE A 71 3.144 7.720 -0.247 1.00 0.00 C ATOM 0 H PHE A 71 6.021 7.351 -4.539 1.00 0.00 H new ATOM 0 HA PHE A 71 4.914 9.764 -5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.918 8.983 -4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.797 7.472 -4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.173 6.799 -2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.880 9.501 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.812 6.391 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.520 9.099 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.986 7.543 0.807 1.00 0.00 H new ATOM 1295 N GLU A 72 6.519 10.054 -2.985 1.00 0.00 N ATOM 1296 CA GLU A 72 6.922 10.949 -1.905 1.00 0.00 C ATOM 1297 C GLU A 72 7.281 12.342 -2.430 1.00 0.00 C ATOM 1298 O GLU A 72 7.582 13.242 -1.647 1.00 0.00 O ATOM 1299 CB GLU A 72 8.109 10.356 -1.145 1.00 0.00 C ATOM 1300 CG GLU A 72 7.705 9.562 0.086 1.00 0.00 C ATOM 1301 CD GLU A 72 8.891 8.923 0.783 1.00 0.00 C ATOM 1302 OE1 GLU A 72 9.888 9.632 1.027 1.00 0.00 O ATOM 1303 OE2 GLU A 72 8.821 7.712 1.084 1.00 0.00 O ATOM 0 H GLU A 72 7.191 9.315 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 72 6.074 11.055 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.673 9.708 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.777 11.163 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.189 10.220 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.997 8.786 -0.203 1.00 0.00 H new ATOM 1310 N ARG A 73 7.251 12.516 -3.752 1.00 0.00 N ATOM 1311 CA ARG A 73 7.575 13.802 -4.368 1.00 0.00 C ATOM 1312 C ARG A 73 6.892 14.957 -3.637 1.00 0.00 C ATOM 1313 O ARG A 73 7.549 15.891 -3.179 1.00 0.00 O ATOM 1314 CB ARG A 73 7.160 13.804 -5.838 1.00 0.00 C ATOM 1315 CG ARG A 73 7.932 12.811 -6.691 1.00 0.00 C ATOM 1316 CD ARG A 73 7.051 12.211 -7.773 1.00 0.00 C ATOM 1317 NE ARG A 73 7.791 11.961 -9.007 1.00 0.00 N ATOM 1318 CZ ARG A 73 7.213 11.750 -10.188 1.00 0.00 C ATOM 1319 NH1 ARG A 73 5.890 11.756 -10.297 1.00 0.00 N ATOM 1320 NH2 ARG A 73 7.959 11.531 -11.262 1.00 0.00 N ATOM 0 H ARG A 73 7.005 11.782 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 73 8.654 13.942 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.096 13.578 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.300 14.805 -6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.786 13.309 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.328 12.016 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.621 11.276 -7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.220 12.886 -7.979 1.00 0.00 H new ATOM 0 HE ARG A 73 8.810 11.947 -8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.311 11.923 -9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.452 11.594 -11.204 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.976 11.524 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.516 11.369 -12.166 1.00 0.00 H new ATOM 1334 N ASN A 74 5.568 14.883 -3.537 1.00 0.00 N ATOM 1335 CA ASN A 74 4.793 15.921 -2.865 1.00 0.00 C ATOM 1336 C ASN A 74 4.422 15.500 -1.446 1.00 0.00 C ATOM 1337 O ASN A 74 4.167 16.341 -0.585 1.00 0.00 O ATOM 1338 CB ASN A 74 3.525 16.235 -3.662 1.00 0.00 C ATOM 1339 CG ASN A 74 3.122 17.692 -3.553 1.00 0.00 C ATOM 1340 OD1 ASN A 74 2.706 18.156 -2.491 1.00 0.00 O ATOM 1341 ND2 ASN A 74 3.239 18.422 -4.655 1.00 0.00 N ATOM 0 H ASN A 74 5.010 14.116 -3.912 1.00 0.00 H new ATOM 0 HA ASN A 74 5.412 16.816 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.686 15.982 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.709 15.607 -3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.980 19.408 -4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.588 17.997 -5.514 1.00 0.00 H new ATOM 1348 N LEU A 75 4.392 14.192 -1.206 1.00 0.00 N ATOM 1349 CA LEU A 75 4.048 13.663 0.110 1.00 0.00 C ATOM 1350 C LEU A 75 5.203 13.828 1.099 1.00 0.00 C ATOM 1351 O LEU A 75 5.053 13.557 2.290 1.00 0.00 O ATOM 1352 CB LEU A 75 3.659 12.187 0.000 1.00 0.00 C ATOM 1353 CG LEU A 75 2.238 11.856 0.462 1.00 0.00 C ATOM 1354 CD1 LEU A 75 1.331 11.604 -0.734 1.00 0.00 C ATOM 1355 CD2 LEU A 75 2.243 10.652 1.391 1.00 0.00 C ATOM 0 H LEU A 75 4.602 13.480 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 75 3.199 14.233 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.769 11.874 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.362 11.597 0.587 1.00 0.00 H new ATOM 0 HG LEU A 75 1.850 12.713 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.325 11.370 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.300 12.495 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.718 10.766 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.223 10.433 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.653 9.789 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.856 10.870 2.265 1.00 0.00 H new ATOM 1367 N ALA A 76 6.357 14.271 0.603 1.00 0.00 N ATOM 1368 CA ALA A 76 7.527 14.464 1.452 1.00 0.00 C ATOM 1369 C ALA A 76 7.589 15.888 1.996 1.00 0.00 C ATOM 1370 O ALA A 76 7.934 16.105 3.157 1.00 0.00 O ATOM 1371 CB ALA A 76 8.797 14.137 0.681 1.00 0.00 C ATOM 0 H ALA A 76 6.505 14.502 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 76 7.442 13.785 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.663 14.285 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.765 13.099 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.875 14.792 -0.187 1.00 0.00 H new ATOM 1377 N ARG A 77 7.254 16.854 1.148 1.00 0.00 N ATOM 1378 CA ARG A 77 7.274 18.260 1.543 1.00 0.00 C ATOM 1379 C ARG A 77 6.158 18.577 2.538 1.00 0.00 C ATOM 1380 O ARG A 77 6.150 19.644 3.152 1.00 0.00 O ATOM 1381 CB ARG A 77 7.142 19.156 0.310 1.00 0.00 C ATOM 1382 CG ARG A 77 5.851 18.942 -0.462 1.00 0.00 C ATOM 1383 CD ARG A 77 5.828 19.752 -1.748 1.00 0.00 C ATOM 1384 NE ARG A 77 6.822 19.283 -2.711 1.00 0.00 N ATOM 1385 CZ ARG A 77 8.081 19.716 -2.753 1.00 0.00 C ATOM 1386 NH1 ARG A 77 8.510 20.628 -1.887 1.00 0.00 N ATOM 1387 NH2 ARG A 77 8.917 19.234 -3.662 1.00 0.00 N ATOM 0 H ARG A 77 6.965 16.691 0.183 1.00 0.00 H new ATOM 0 HA ARG A 77 8.228 18.455 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.201 20.199 0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.987 18.973 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.737 17.883 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.002 19.224 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.835 19.694 -2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 77 6.013 20.801 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 77 6.534 18.581 -3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 77 7.874 21.002 -1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.476 20.954 -1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.596 18.532 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.881 19.565 -3.695 1.00 0.00 H new ATOM 1401 N PHE A 78 5.216 17.650 2.694 1.00 0.00 N ATOM 1402 CA PHE A 78 4.102 17.841 3.616 1.00 0.00 C ATOM 1403 C PHE A 78 4.528 17.614 5.067 1.00 0.00 C ATOM 1404 O PHE A 78 3.737 17.810 5.990 1.00 0.00 O ATOM 1405 CB PHE A 78 2.952 16.898 3.257 1.00 0.00 C ATOM 1406 CG PHE A 78 1.599 17.545 3.330 1.00 0.00 C ATOM 1407 CD1 PHE A 78 1.026 17.848 4.555 1.00 0.00 C ATOM 1408 CD2 PHE A 78 0.899 17.852 2.174 1.00 0.00 C ATOM 1409 CE1 PHE A 78 -0.219 18.442 4.626 1.00 0.00 C ATOM 1410 CE2 PHE A 78 -0.347 18.446 2.238 1.00 0.00 C ATOM 1411 CZ PHE A 78 -0.907 18.743 3.465 1.00 0.00 C ATOM 0 H PHE A 78 5.203 16.761 2.194 1.00 0.00 H new ATOM 0 HA PHE A 78 3.767 18.874 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.108 16.515 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.972 16.041 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.559 17.617 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.333 17.624 1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.655 18.671 5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.882 18.678 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.880 19.209 3.518 1.00 0.00 H new ATOM 1421 N ARG A 79 5.777 17.199 5.266 1.00 0.00 N ATOM 1422 CA ARG A 79 6.295 16.946 6.606 1.00 0.00 C ATOM 1423 C ARG A 79 6.382 18.237 7.415 1.00 0.00 C ATOM 1424 O ARG A 79 6.295 18.219 8.643 1.00 0.00 O ATOM 1425 CB ARG A 79 7.673 16.289 6.527 1.00 0.00 C ATOM 1426 CG ARG A 79 8.263 15.948 7.886 1.00 0.00 C ATOM 1427 CD ARG A 79 9.726 16.353 7.979 1.00 0.00 C ATOM 1428 NE ARG A 79 10.576 15.532 7.119 1.00 0.00 N ATOM 1429 CZ ARG A 79 11.804 15.880 6.744 1.00 0.00 C ATOM 1430 NH1 ARG A 79 12.329 17.030 7.146 1.00 0.00 N ATOM 1431 NH2 ARG A 79 12.510 15.074 5.961 1.00 0.00 N ATOM 0 H ARG A 79 6.448 17.031 4.516 1.00 0.00 H new ATOM 0 HA ARG A 79 5.604 16.271 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.598 15.378 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.355 16.957 6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.695 16.453 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.169 14.877 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.831 17.401 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.062 16.264 9.012 1.00 0.00 H new ATOM 0 HE ARG A 79 10.206 14.641 6.787 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.790 17.654 7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.271 17.290 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.111 14.189 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.452 15.339 5.673 1.00 0.00 H new ATOM 1445 N GLU A 80 6.557 19.358 6.721 1.00 0.00 N ATOM 1446 CA GLU A 80 6.661 20.657 7.379 1.00 0.00 C ATOM 1447 C GLU A 80 5.440 20.928 8.255 1.00 0.00 C ATOM 1448 O GLU A 80 5.496 20.783 9.476 1.00 0.00 O ATOM 1449 CB GLU A 80 6.822 21.768 6.338 1.00 0.00 C ATOM 1450 CG GLU A 80 8.131 22.533 6.464 1.00 0.00 C ATOM 1451 CD GLU A 80 9.323 21.728 5.986 1.00 0.00 C ATOM 1452 OE1 GLU A 80 9.214 21.074 4.927 1.00 0.00 O ATOM 1453 OE2 GLU A 80 10.368 21.749 6.671 1.00 0.00 O ATOM 0 H GLU A 80 6.630 19.393 5.704 1.00 0.00 H new ATOM 0 HA GLU A 80 7.542 20.642 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.760 21.332 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.991 22.467 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.065 23.456 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.283 22.817 7.505 1.00 0.00 H new ATOM 1460 N ASP A 81 4.336 21.320 7.624 1.00 0.00 N ATOM 1461 CA ASP A 81 3.103 21.611 8.348 1.00 0.00 C ATOM 1462 C ASP A 81 1.979 21.978 7.386 1.00 0.00 C ATOM 1463 O ASP A 81 2.225 22.503 6.300 1.00 0.00 O ATOM 1464 CB ASP A 81 3.327 22.750 9.345 1.00 0.00 C ATOM 1465 CG ASP A 81 2.291 22.764 10.451 1.00 0.00 C ATOM 1466 OD1 ASP A 81 2.367 21.901 11.349 1.00 0.00 O ATOM 1467 OD2 ASP A 81 1.399 23.639 10.415 1.00 0.00 O ATOM 0 H ASP A 81 4.271 21.443 6.614 1.00 0.00 H new ATOM 0 HA ASP A 81 2.812 20.712 8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.321 22.655 9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.302 23.702 8.816 1.00 0.00 H new ATOM 1472 N HIS A 82 0.744 21.702 7.792 1.00 0.00 N ATOM 1473 CA HIS A 82 -0.421 22.004 6.968 1.00 0.00 C ATOM 1474 C HIS A 82 -1.713 21.617 7.684 1.00 0.00 C ATOM 1475 O HIS A 82 -2.267 20.544 7.445 1.00 0.00 O ATOM 1476 CB HIS A 82 -0.325 21.275 5.624 1.00 0.00 C ATOM 1477 CG HIS A 82 -0.235 22.198 4.449 1.00 0.00 C ATOM 1478 ND1 HIS A 82 -0.846 21.940 3.241 1.00 0.00 N ATOM 1479 CD2 HIS A 82 0.400 23.386 4.301 1.00 0.00 C ATOM 1480 CE1 HIS A 82 -0.591 22.927 2.400 1.00 0.00 C ATOM 1481 NE2 HIS A 82 0.163 23.816 3.019 1.00 0.00 N ATOM 0 H HIS A 82 0.524 21.269 8.689 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.439 23.079 6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.550 20.626 5.634 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -1.197 20.632 5.505 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -1.408 21.115 3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.983 23.899 5.051 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.940 22.995 1.380 1.00 0.00 H new ATOM 1490 N PRO A 83 -2.210 22.489 8.579 1.00 0.00 N ATOM 1491 CA PRO A 83 -3.442 22.232 9.330 1.00 0.00 C ATOM 1492 C PRO A 83 -4.609 21.861 8.420 1.00 0.00 C ATOM 1493 O PRO A 83 -5.314 22.734 7.912 1.00 0.00 O ATOM 1494 CB PRO A 83 -3.716 23.563 10.035 1.00 0.00 C ATOM 1495 CG PRO A 83 -2.381 24.213 10.147 1.00 0.00 C ATOM 1496 CD PRO A 83 -1.611 23.791 8.925 1.00 0.00 C ATOM 0 HA PRO A 83 -3.333 21.389 10.012 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -4.410 24.179 9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.164 23.407 11.016 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.478 25.298 10.192 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.870 23.900 11.058 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.718 24.511 8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.545 23.701 9.133 1.00 0.00 H new ATOM 1504 N ASP A 84 -4.806 20.563 8.217 1.00 0.00 N ATOM 1505 CA ASP A 84 -5.887 20.076 7.366 1.00 0.00 C ATOM 1506 C ASP A 84 -7.163 19.846 8.171 1.00 0.00 C ATOM 1507 O ASP A 84 -8.253 19.755 7.608 1.00 0.00 O ATOM 1508 CB ASP A 84 -5.468 18.780 6.669 1.00 0.00 C ATOM 1509 CG ASP A 84 -6.437 18.373 5.577 1.00 0.00 C ATOM 1510 OD1 ASP A 84 -7.190 19.247 5.095 1.00 0.00 O ATOM 1511 OD2 ASP A 84 -6.443 17.182 5.201 1.00 0.00 O ATOM 0 H ASP A 84 -4.231 19.828 8.630 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.092 20.838 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.474 18.906 6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.398 17.980 7.406 1.00 0.00 H new ATOM 1516 N LEU A 85 -7.023 19.750 9.492 1.00 0.00 N ATOM 1517 CA LEU A 85 -8.169 19.530 10.370 1.00 0.00 C ATOM 1518 C LEU A 85 -8.759 18.139 10.155 1.00 0.00 C ATOM 1519 O LEU A 85 -8.874 17.673 9.022 1.00 0.00 O ATOM 1520 CB LEU A 85 -9.241 20.599 10.133 1.00 0.00 C ATOM 1521 CG LEU A 85 -9.532 21.499 11.333 1.00 0.00 C ATOM 1522 CD1 LEU A 85 -9.860 22.913 10.875 1.00 0.00 C ATOM 1523 CD2 LEU A 85 -10.674 20.928 12.161 1.00 0.00 C ATOM 0 H LEU A 85 -6.128 19.821 9.977 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.822 19.603 11.401 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.930 21.224 9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.166 20.105 9.836 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.639 21.540 11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.064 23.539 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.013 23.323 10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.738 22.892 10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.868 21.581 13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.570 20.858 11.545 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.402 19.935 12.520 1.00 0.00 H new ATOM 1535 N ILE A 86 -9.128 17.483 11.255 1.00 0.00 N ATOM 1536 CA ILE A 86 -9.708 16.144 11.205 1.00 0.00 C ATOM 1537 C ILE A 86 -8.957 15.241 10.226 1.00 0.00 C ATOM 1538 O ILE A 86 -9.565 14.500 9.452 1.00 0.00 O ATOM 1539 CB ILE A 86 -11.204 16.190 10.821 1.00 0.00 C ATOM 1540 CG1 ILE A 86 -11.830 14.798 10.938 1.00 0.00 C ATOM 1541 CG2 ILE A 86 -11.384 16.748 9.415 1.00 0.00 C ATOM 1542 CD1 ILE A 86 -12.787 14.662 12.103 1.00 0.00 C ATOM 0 H ILE A 86 -9.034 17.862 12.197 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.614 15.726 12.207 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.716 16.855 11.516 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.360 14.568 10.014 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.036 14.059 11.042 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.445 16.771 9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -10.978 17.759 9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -10.858 16.114 8.702 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.193 13.651 12.125 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.257 14.860 13.034 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.602 15.377 11.990 1.00 0.00 H new ATOM 1554 N GLN A 87 -7.631 15.310 10.267 1.00 0.00 N ATOM 1555 CA GLN A 87 -6.795 14.503 9.386 1.00 0.00 C ATOM 1556 C GLN A 87 -6.939 13.019 9.709 1.00 0.00 C ATOM 1557 O GLN A 87 -7.469 12.248 8.909 1.00 0.00 O ATOM 1558 CB GLN A 87 -5.331 14.925 9.512 1.00 0.00 C ATOM 1559 CG GLN A 87 -4.420 14.272 8.483 1.00 0.00 C ATOM 1560 CD GLN A 87 -4.858 14.550 7.058 1.00 0.00 C ATOM 1561 OE1 GLN A 87 -4.725 15.670 6.563 1.00 0.00 O ATOM 1562 NE2 GLN A 87 -5.384 13.530 6.390 1.00 0.00 N ATOM 0 H GLN A 87 -7.112 15.917 10.901 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.126 14.667 8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.263 16.008 9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.974 14.676 10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.401 14.634 8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.402 13.195 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.475 12.619 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.697 13.658 5.428 1.00 0.00 H new ATOM 1571 N ASN A 88 -6.460 12.624 10.886 1.00 0.00 N ATOM 1572 CA ASN A 88 -6.535 11.233 11.314 1.00 0.00 C ATOM 1573 C ASN A 88 -7.497 11.072 12.486 1.00 0.00 C ATOM 1574 O ASN A 88 -8.158 10.043 12.622 1.00 0.00 O ATOM 1575 CB ASN A 88 -5.145 10.724 11.704 1.00 0.00 C ATOM 1576 CG ASN A 88 -4.864 9.336 11.161 1.00 0.00 C ATOM 1577 OD1 ASN A 88 -4.325 9.182 10.065 1.00 0.00 O ATOM 1578 ND2 ASN A 88 -5.230 8.315 11.927 1.00 0.00 N ATOM 0 H ASN A 88 -6.016 13.249 11.559 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.911 10.642 10.479 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.390 11.416 11.332 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.058 10.711 12.790 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.067 7.358 11.613 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.674 8.488 12.829 1.00 0.00 H new ATOM 1585 N ALA A 89 -7.570 12.095 13.333 1.00 0.00 N ATOM 1586 CA ALA A 89 -8.449 12.067 14.496 1.00 0.00 C ATOM 1587 C ALA A 89 -8.062 10.940 15.447 1.00 0.00 C ATOM 1588 O ALA A 89 -7.523 9.916 15.027 1.00 0.00 O ATOM 1589 CB ALA A 89 -9.898 11.915 14.056 1.00 0.00 C ATOM 0 H ALA A 89 -7.030 12.955 13.235 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.339 13.011 15.029 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.545 11.895 14.933 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.175 12.756 13.420 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.014 10.985 13.499 1.00 0.00 H new ATOM 1595 N LYS A 90 -8.339 11.136 16.732 1.00 0.00 N ATOM 1596 CA LYS A 90 -8.018 10.135 17.742 1.00 0.00 C ATOM 1597 C LYS A 90 -8.875 10.325 18.990 1.00 0.00 C ATOM 1598 O LYS A 90 -8.671 11.267 19.756 1.00 0.00 O ATOM 1599 CB LYS A 90 -6.535 10.209 18.110 1.00 0.00 C ATOM 1600 CG LYS A 90 -5.877 8.847 18.263 1.00 0.00 C ATOM 1601 CD LYS A 90 -5.644 8.498 19.724 1.00 0.00 C ATOM 1602 CE LYS A 90 -4.259 8.921 20.184 1.00 0.00 C ATOM 1603 NZ LYS A 90 -3.291 7.790 20.145 1.00 0.00 N ATOM 0 H LYS A 90 -8.784 11.978 17.098 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.233 9.152 17.324 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.007 10.774 17.342 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.428 10.762 19.043 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.506 8.085 17.802 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.926 8.840 17.731 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.398 8.987 20.341 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.763 7.424 19.866 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.897 9.730 19.550 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.318 9.314 21.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.358 8.120 20.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.623 7.028 20.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.215 7.431 19.172 1.00 0.00 H new ATOM 1617 N LYS A 91 -9.834 9.423 19.186 1.00 0.00 N ATOM 1618 CA LYS A 91 -10.731 9.481 20.340 1.00 0.00 C ATOM 1619 C LYS A 91 -11.242 10.901 20.578 1.00 0.00 C ATOM 1620 O LYS A 91 -11.578 11.222 21.737 1.00 0.00 O ATOM 1621 CB LYS A 91 -10.020 8.963 21.593 1.00 0.00 C ATOM 1622 CG LYS A 91 -8.868 9.843 22.051 1.00 0.00 C ATOM 1623 CD LYS A 91 -8.345 9.413 23.414 1.00 0.00 C ATOM 1624 CE LYS A 91 -6.977 10.010 23.699 1.00 0.00 C ATOM 1625 NZ LYS A 91 -6.871 10.512 25.098 1.00 0.00 N ATOM 0 H LYS A 91 -10.011 8.639 18.558 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.589 8.844 20.126 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.745 8.879 22.403 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.643 7.959 21.397 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.061 9.798 21.320 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.198 10.881 22.098 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.047 9.723 24.188 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.284 8.325 23.455 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.209 9.257 23.524 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.786 10.828 23.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.923 10.911 25.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.587 11.249 25.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.028 9.727 25.761 1.00 0.00 H new TER 1639 LYS A 91