USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0 (180deg=-0.19) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.144) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 126:sc= -3.79! USER MOD Single : A 22 SER OG : rot 88:sc= 0.333 USER MOD Single : A 23 SER OG : rot 94:sc= 0.966 USER MOD Single : A 24 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.15) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.723 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= -2.03 F(o=-3.6!,f=-2) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0043 X(o=-0.0043,f=0) USER MOD Single : A 58 GLN : amide:sc= -2.05 K(o=-2.1,f=-2.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 43:sc= 0.758 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0369) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.726 -24.537 -16.182 1.00 0.00 N ATOM 2 CA MET A 1 1.177 -23.440 -15.286 1.00 0.00 C ATOM 3 C MET A 1 0.113 -23.106 -14.245 1.00 0.00 C ATOM 4 O MET A 1 -1.068 -22.976 -14.570 1.00 0.00 O ATOM 5 CB MET A 1 1.484 -22.208 -16.141 1.00 0.00 C ATOM 6 CG MET A 1 0.268 -21.651 -16.863 1.00 0.00 C ATOM 7 SD MET A 1 0.646 -20.167 -17.814 1.00 0.00 S ATOM 8 CE MET A 1 -0.300 -18.939 -16.915 1.00 0.00 C ATOM 0 H1 MET A 1 1.369 -24.607 -16.996 1.00 0.00 H new ATOM 0 H2 MET A 1 0.730 -25.436 -15.659 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.237 -24.336 -16.518 1.00 0.00 H new ATOM 0 HA MET A 1 2.071 -23.759 -14.751 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.906 -21.430 -15.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.246 -22.467 -16.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.134 -22.413 -17.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.510 -21.423 -16.134 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.168 -17.964 -17.384 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.356 -19.210 -16.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.048 -18.896 -15.883 1.00 0.00 H new ATOM 18 N LYS A 2 0.539 -22.966 -12.994 1.00 0.00 N ATOM 19 CA LYS A 2 -0.377 -22.646 -11.907 1.00 0.00 C ATOM 20 C LYS A 2 -0.610 -21.140 -11.816 1.00 0.00 C ATOM 21 O LYS A 2 0.289 -20.347 -12.096 1.00 0.00 O ATOM 22 CB LYS A 2 0.172 -23.171 -10.579 1.00 0.00 C ATOM 23 CG LYS A 2 0.073 -24.680 -10.433 1.00 0.00 C ATOM 24 CD LYS A 2 -0.245 -25.082 -9.002 1.00 0.00 C ATOM 25 CE LYS A 2 -1.727 -25.367 -8.819 1.00 0.00 C ATOM 26 NZ LYS A 2 -2.163 -25.171 -7.409 1.00 0.00 N ATOM 0 H LYS A 2 1.513 -23.069 -12.709 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.331 -23.130 -12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.216 -22.873 -10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.370 -22.699 -9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.701 -25.061 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.013 -25.139 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.332 -25.967 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.060 -24.286 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.305 -24.713 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.940 -26.391 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.179 -25.376 -7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.630 -25.813 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.984 -24.187 -7.124 1.00 0.00 H new ATOM 40 N PRO A 3 -1.826 -20.723 -11.421 1.00 0.00 N ATOM 41 CA PRO A 3 -2.171 -19.303 -11.295 1.00 0.00 C ATOM 42 C PRO A 3 -1.508 -18.651 -10.086 1.00 0.00 C ATOM 43 O PRO A 3 -1.372 -19.270 -9.031 1.00 0.00 O ATOM 44 CB PRO A 3 -3.690 -19.324 -11.125 1.00 0.00 C ATOM 45 CG PRO A 3 -3.982 -20.648 -10.510 1.00 0.00 C ATOM 46 CD PRO A 3 -2.959 -21.601 -11.067 1.00 0.00 C ATOM 0 HA PRO A 3 -1.832 -18.722 -12.152 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.029 -18.508 -10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -4.198 -19.212 -12.083 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.916 -20.596 -9.423 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.993 -20.976 -10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.670 -22.353 -10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.340 -22.135 -11.937 1.00 0.00 H new ATOM 54 N ARG A 4 -1.098 -17.397 -10.248 1.00 0.00 N ATOM 55 CA ARG A 4 -0.450 -16.660 -9.169 1.00 0.00 C ATOM 56 C ARG A 4 -1.487 -15.981 -8.275 1.00 0.00 C ATOM 57 O ARG A 4 -2.175 -15.056 -8.707 1.00 0.00 O ATOM 58 CB ARG A 4 0.506 -15.614 -9.745 1.00 0.00 C ATOM 59 CG ARG A 4 1.498 -16.180 -10.747 1.00 0.00 C ATOM 60 CD ARG A 4 2.504 -15.131 -11.189 1.00 0.00 C ATOM 61 NE ARG A 4 3.747 -15.209 -10.427 1.00 0.00 N ATOM 62 CZ ARG A 4 4.639 -14.222 -10.360 1.00 0.00 C ATOM 63 NH1 ARG A 4 4.428 -13.082 -11.007 1.00 0.00 N ATOM 64 NH2 ARG A 4 5.744 -14.375 -9.643 1.00 0.00 N ATOM 0 H ARG A 4 -1.203 -16.870 -11.115 1.00 0.00 H new ATOM 0 HA ARG A 4 0.116 -17.368 -8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.076 -14.829 -10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.055 -15.147 -8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.024 -17.025 -10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.962 -16.560 -11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.720 -15.260 -12.249 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.068 -14.139 -11.071 1.00 0.00 H new ATOM 0 HE ARG A 4 3.944 -16.070 -9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.579 -12.958 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.115 -12.330 -10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.911 -15.248 -9.143 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.427 -13.619 -9.592 1.00 0.00 H new ATOM 78 N PRO A 5 -1.615 -16.428 -7.011 1.00 0.00 N ATOM 79 CA PRO A 5 -2.576 -15.851 -6.066 1.00 0.00 C ATOM 80 C PRO A 5 -2.461 -14.333 -5.977 1.00 0.00 C ATOM 81 O PRO A 5 -1.463 -13.804 -5.487 1.00 0.00 O ATOM 82 CB PRO A 5 -2.196 -16.495 -4.732 1.00 0.00 C ATOM 83 CG PRO A 5 -1.549 -17.783 -5.106 1.00 0.00 C ATOM 84 CD PRO A 5 -0.837 -17.526 -6.405 1.00 0.00 C ATOM 0 HA PRO A 5 -3.606 -16.041 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.515 -15.860 -4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.074 -16.659 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.850 -18.107 -4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.290 -18.574 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.202 -17.240 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.829 -18.411 -7.041 1.00 0.00 H new ATOM 92 N GLY A 6 -3.488 -13.637 -6.452 1.00 0.00 N ATOM 93 CA GLY A 6 -3.481 -12.186 -6.417 1.00 0.00 C ATOM 94 C GLY A 6 -3.684 -11.639 -5.018 1.00 0.00 C ATOM 95 O GLY A 6 -3.014 -12.060 -4.075 1.00 0.00 O ATOM 0 H GLY A 6 -4.325 -14.052 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -2.533 -11.821 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.267 -11.806 -7.070 1.00 0.00 H new ATOM 99 N VAL A 7 -4.611 -10.696 -4.883 1.00 0.00 N ATOM 100 CA VAL A 7 -4.901 -10.089 -3.589 1.00 0.00 C ATOM 101 C VAL A 7 -5.630 -11.067 -2.675 1.00 0.00 C ATOM 102 O VAL A 7 -6.368 -11.936 -3.141 1.00 0.00 O ATOM 103 CB VAL A 7 -5.754 -8.816 -3.745 1.00 0.00 C ATOM 104 CG1 VAL A 7 -4.916 -7.675 -4.301 1.00 0.00 C ATOM 105 CG2 VAL A 7 -6.961 -9.085 -4.631 1.00 0.00 C ATOM 0 H VAL A 7 -5.174 -10.336 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.943 -9.823 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.116 -8.522 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.536 -6.785 -4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.090 -7.465 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.520 -7.956 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.551 -8.174 -4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.624 -9.407 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.574 -9.867 -4.183 1.00 0.00 H new ATOM 115 N PHE A 8 -5.419 -10.920 -1.372 1.00 0.00 N ATOM 116 CA PHE A 8 -6.058 -11.791 -0.391 1.00 0.00 C ATOM 117 C PHE A 8 -6.017 -11.166 1.000 1.00 0.00 C ATOM 118 O PHE A 8 -7.047 -10.768 1.544 1.00 0.00 O ATOM 119 CB PHE A 8 -5.373 -13.158 -0.370 1.00 0.00 C ATOM 120 CG PHE A 8 -6.330 -14.308 -0.233 1.00 0.00 C ATOM 121 CD1 PHE A 8 -6.986 -14.541 0.965 1.00 0.00 C ATOM 122 CD2 PHE A 8 -6.574 -15.155 -1.302 1.00 0.00 C ATOM 123 CE1 PHE A 8 -7.867 -15.597 1.094 1.00 0.00 C ATOM 124 CE2 PHE A 8 -7.454 -16.213 -1.179 1.00 0.00 C ATOM 125 CZ PHE A 8 -8.102 -16.434 0.020 1.00 0.00 C ATOM 0 H PHE A 8 -4.811 -10.207 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.101 -11.920 -0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.799 -13.281 -1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.663 -13.187 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.806 -13.890 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.070 -14.986 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.372 -15.768 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.635 -16.866 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.791 -17.260 0.118 1.00 0.00 H new ATOM 135 N VAL A 9 -4.819 -11.083 1.570 1.00 0.00 N ATOM 136 CA VAL A 9 -4.641 -10.507 2.898 1.00 0.00 C ATOM 137 C VAL A 9 -3.917 -9.166 2.827 1.00 0.00 C ATOM 138 O VAL A 9 -4.061 -8.326 3.716 1.00 0.00 O ATOM 139 CB VAL A 9 -3.853 -11.454 3.820 1.00 0.00 C ATOM 140 CG1 VAL A 9 -4.720 -12.626 4.250 1.00 0.00 C ATOM 141 CG2 VAL A 9 -2.588 -11.942 3.128 1.00 0.00 C ATOM 0 H VAL A 9 -3.957 -11.408 1.133 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.638 -10.355 3.311 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.561 -10.902 4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.145 -13.284 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.593 -12.255 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.045 -13.180 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.043 -12.611 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.855 -12.477 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.958 -11.088 2.876 1.00 0.00 H new ATOM 151 N ASP A 10 -3.137 -8.971 1.768 1.00 0.00 N ATOM 152 CA ASP A 10 -2.391 -7.731 1.588 1.00 0.00 C ATOM 153 C ASP A 10 -3.161 -6.745 0.711 1.00 0.00 C ATOM 154 O ASP A 10 -2.574 -5.834 0.126 1.00 0.00 O ATOM 155 CB ASP A 10 -1.024 -8.020 0.967 1.00 0.00 C ATOM 156 CG ASP A 10 0.018 -8.379 2.008 1.00 0.00 C ATOM 157 OD1 ASP A 10 0.517 -7.460 2.691 1.00 0.00 O ATOM 158 OD2 ASP A 10 0.336 -9.580 2.142 1.00 0.00 O ATOM 0 H ASP A 10 -3.005 -9.655 1.023 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.252 -7.279 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.118 -8.838 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.690 -7.146 0.408 1.00 0.00 H new ATOM 163 N ARG A 11 -4.475 -6.929 0.625 1.00 0.00 N ATOM 164 CA ARG A 11 -5.318 -6.053 -0.178 1.00 0.00 C ATOM 165 C ARG A 11 -5.403 -4.661 0.442 1.00 0.00 C ATOM 166 O ARG A 11 -5.555 -3.664 -0.264 1.00 0.00 O ATOM 167 CB ARG A 11 -6.721 -6.647 -0.320 1.00 0.00 C ATOM 168 CG ARG A 11 -7.515 -6.064 -1.477 1.00 0.00 C ATOM 169 CD ARG A 11 -8.519 -7.064 -2.026 1.00 0.00 C ATOM 170 NE ARG A 11 -9.154 -6.585 -3.251 1.00 0.00 N ATOM 171 CZ ARG A 11 -10.153 -5.705 -3.275 1.00 0.00 C ATOM 172 NH1 ARG A 11 -10.631 -5.204 -2.142 1.00 0.00 N ATOM 173 NH2 ARG A 11 -10.675 -5.327 -4.433 1.00 0.00 N ATOM 0 H ARG A 11 -4.978 -7.677 1.102 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.867 -5.965 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.638 -7.725 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.271 -6.483 0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.038 -5.167 -1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.833 -5.759 -2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.016 -8.011 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.283 -7.260 -1.274 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.812 -6.946 -4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.233 -5.493 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.396 -4.530 -2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.311 -5.710 -5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.440 -4.653 -4.452 1.00 0.00 H new ATOM 187 N LYS A 12 -5.310 -4.603 1.767 1.00 0.00 N ATOM 188 CA LYS A 12 -5.382 -3.335 2.487 1.00 0.00 C ATOM 189 C LYS A 12 -4.349 -2.342 1.964 1.00 0.00 C ATOM 190 O LYS A 12 -4.610 -1.141 1.900 1.00 0.00 O ATOM 191 CB LYS A 12 -5.171 -3.563 3.984 1.00 0.00 C ATOM 192 CG LYS A 12 -6.453 -3.865 4.742 1.00 0.00 C ATOM 193 CD LYS A 12 -6.906 -5.299 4.520 1.00 0.00 C ATOM 194 CE LYS A 12 -7.824 -5.413 3.314 1.00 0.00 C ATOM 195 NZ LYS A 12 -8.952 -6.353 3.562 1.00 0.00 N ATOM 0 H LYS A 12 -5.184 -5.420 2.365 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.374 -2.914 2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.474 -4.390 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.704 -2.677 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.297 -3.692 5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.238 -3.180 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.035 -5.939 4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.424 -5.660 5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.220 -4.429 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.250 -5.754 2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.555 -6.403 2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.575 -7.299 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.515 -6.015 4.369 1.00 0.00 H new ATOM 209 N LEU A 13 -3.176 -2.845 1.593 1.00 0.00 N ATOM 210 CA LEU A 13 -2.111 -1.991 1.077 1.00 0.00 C ATOM 211 C LEU A 13 -2.589 -1.196 -0.133 1.00 0.00 C ATOM 212 O LEU A 13 -2.312 -0.003 -0.256 1.00 0.00 O ATOM 213 CB LEU A 13 -0.889 -2.830 0.702 1.00 0.00 C ATOM 214 CG LEU A 13 0.459 -2.121 0.856 1.00 0.00 C ATOM 215 CD1 LEU A 13 0.459 -0.803 0.096 1.00 0.00 C ATOM 216 CD2 LEU A 13 0.772 -1.890 2.326 1.00 0.00 C ATOM 0 H LEU A 13 -2.939 -3.836 1.640 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.831 -1.289 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.882 -3.729 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.995 -3.155 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 13 1.235 -2.760 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.425 -0.313 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.279 -0.993 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.327 -0.157 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.734 -1.385 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.007 -1.271 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.814 -2.848 2.844 1.00 0.00 H new ATOM 228 N LYS A 14 -3.313 -1.866 -1.024 1.00 0.00 N ATOM 229 CA LYS A 14 -3.834 -1.223 -2.223 1.00 0.00 C ATOM 230 C LYS A 14 -4.980 -0.276 -1.879 1.00 0.00 C ATOM 231 O LYS A 14 -4.998 0.873 -2.315 1.00 0.00 O ATOM 232 CB LYS A 14 -4.312 -2.277 -3.224 1.00 0.00 C ATOM 233 CG LYS A 14 -4.650 -1.708 -4.592 1.00 0.00 C ATOM 234 CD LYS A 14 -5.693 -2.553 -5.306 1.00 0.00 C ATOM 235 CE LYS A 14 -7.074 -1.924 -5.221 1.00 0.00 C ATOM 236 NZ LYS A 14 -7.607 -1.939 -3.831 1.00 0.00 N ATOM 0 H LYS A 14 -3.552 -2.854 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.029 -0.642 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.538 -3.036 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.192 -2.777 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.020 -0.689 -4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.746 -1.655 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.411 -2.674 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.718 -3.550 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.027 -0.896 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.758 -2.461 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.639 -1.810 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.381 -2.850 -3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.174 -1.167 -3.285 1.00 0.00 H new ATOM 250 N GLN A 15 -5.935 -0.771 -1.096 1.00 0.00 N ATOM 251 CA GLN A 15 -7.092 0.023 -0.693 1.00 0.00 C ATOM 252 C GLN A 15 -6.675 1.248 0.117 1.00 0.00 C ATOM 253 O GLN A 15 -7.126 2.361 -0.148 1.00 0.00 O ATOM 254 CB GLN A 15 -8.061 -0.834 0.124 1.00 0.00 C ATOM 255 CG GLN A 15 -9.363 -0.124 0.463 1.00 0.00 C ATOM 256 CD GLN A 15 -10.584 -0.877 -0.031 1.00 0.00 C ATOM 257 OE1 GLN A 15 -10.984 -1.885 0.551 1.00 0.00 O ATOM 258 NE2 GLN A 15 -11.185 -0.388 -1.110 1.00 0.00 N ATOM 0 H GLN A 15 -5.930 -1.722 -0.727 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.589 0.370 -1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.287 -1.743 -0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.572 -1.140 1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.432 0.004 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.354 0.874 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.820 0.451 -1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.012 -0.851 -1.487 1.00 0.00 H new ATOM 267 N ARG A 16 -5.816 1.037 1.109 1.00 0.00 N ATOM 268 CA ARG A 16 -5.349 2.131 1.954 1.00 0.00 C ATOM 269 C ARG A 16 -4.566 3.153 1.138 1.00 0.00 C ATOM 270 O ARG A 16 -4.702 4.361 1.341 1.00 0.00 O ATOM 271 CB ARG A 16 -4.483 1.593 3.095 1.00 0.00 C ATOM 272 CG ARG A 16 -4.663 2.347 4.403 1.00 0.00 C ATOM 273 CD ARG A 16 -6.115 2.334 4.860 1.00 0.00 C ATOM 274 NE ARG A 16 -6.716 1.008 4.740 1.00 0.00 N ATOM 275 CZ ARG A 16 -8.028 0.788 4.708 1.00 0.00 C ATOM 276 NH1 ARG A 16 -8.881 1.803 4.787 1.00 0.00 N ATOM 277 NH2 ARG A 16 -8.490 -0.450 4.597 1.00 0.00 N ATOM 0 H ARG A 16 -5.430 0.123 1.347 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.222 2.626 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.721 0.541 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.435 1.641 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.034 1.898 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.329 3.377 4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.171 2.665 5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.688 3.047 4.267 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.093 0.203 4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.531 2.757 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.886 1.628 4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.840 -1.233 4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.496 -0.619 4.572 1.00 0.00 H new ATOM 291 N VAL A 17 -3.744 2.666 0.213 1.00 0.00 N ATOM 292 CA VAL A 17 -2.942 3.543 -0.628 1.00 0.00 C ATOM 293 C VAL A 17 -3.827 4.373 -1.557 1.00 0.00 C ATOM 294 O VAL A 17 -3.710 5.597 -1.604 1.00 0.00 O ATOM 295 CB VAL A 17 -1.915 2.740 -1.461 1.00 0.00 C ATOM 296 CG1 VAL A 17 -1.405 3.548 -2.646 1.00 0.00 C ATOM 297 CG2 VAL A 17 -0.753 2.297 -0.585 1.00 0.00 C ATOM 0 H VAL A 17 -3.617 1.671 0.029 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.399 4.217 0.035 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.421 1.857 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.686 2.954 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.242 3.813 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.922 4.457 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.039 1.733 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.261 3.173 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.126 1.667 0.222 1.00 0.00 H new ATOM 307 N ILE A 18 -4.713 3.706 -2.294 1.00 0.00 N ATOM 308 CA ILE A 18 -5.606 4.401 -3.217 1.00 0.00 C ATOM 309 C ILE A 18 -6.383 5.505 -2.505 1.00 0.00 C ATOM 310 O ILE A 18 -6.612 6.576 -3.066 1.00 0.00 O ATOM 311 CB ILE A 18 -6.601 3.432 -3.891 1.00 0.00 C ATOM 312 CG1 ILE A 18 -7.453 2.715 -2.842 1.00 0.00 C ATOM 313 CG2 ILE A 18 -5.859 2.425 -4.758 1.00 0.00 C ATOM 314 CD1 ILE A 18 -8.590 1.911 -3.435 1.00 0.00 C ATOM 0 H ILE A 18 -4.831 2.693 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.975 4.844 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.266 4.013 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.815 2.051 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.862 3.453 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.576 1.750 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.300 2.952 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.169 1.851 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.152 1.430 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.251 2.573 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.188 1.150 -4.104 1.00 0.00 H new ATOM 326 N GLN A 19 -6.780 5.238 -1.266 1.00 0.00 N ATOM 327 CA GLN A 19 -7.523 6.212 -0.476 1.00 0.00 C ATOM 328 C GLN A 19 -6.617 7.356 -0.030 1.00 0.00 C ATOM 329 O GLN A 19 -7.065 8.492 0.124 1.00 0.00 O ATOM 330 CB GLN A 19 -8.151 5.538 0.746 1.00 0.00 C ATOM 331 CG GLN A 19 -9.432 4.782 0.434 1.00 0.00 C ATOM 332 CD GLN A 19 -10.494 4.972 1.500 1.00 0.00 C ATOM 333 OE1 GLN A 19 -11.171 5.999 1.541 1.00 0.00 O ATOM 334 NE2 GLN A 19 -10.644 3.979 2.369 1.00 0.00 N ATOM 0 H GLN A 19 -6.600 4.356 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.315 6.622 -1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.428 4.847 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.361 6.296 1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.823 5.117 -0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.208 3.720 0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.060 3.146 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.343 4.050 3.109 1.00 0.00 H new ATOM 343 N TYR A 20 -5.342 7.044 0.180 1.00 0.00 N ATOM 344 CA TYR A 20 -4.370 8.043 0.614 1.00 0.00 C ATOM 345 C TYR A 20 -3.999 8.989 -0.526 1.00 0.00 C ATOM 346 O TYR A 20 -3.849 10.193 -0.318 1.00 0.00 O ATOM 347 CB TYR A 20 -3.112 7.358 1.155 1.00 0.00 C ATOM 348 CG TYR A 20 -3.054 7.306 2.665 1.00 0.00 C ATOM 349 CD1 TYR A 20 -3.312 8.436 3.429 1.00 0.00 C ATOM 350 CD2 TYR A 20 -2.738 6.125 3.326 1.00 0.00 C ATOM 351 CE1 TYR A 20 -3.259 8.393 4.809 1.00 0.00 C ATOM 352 CE2 TYR A 20 -2.684 6.074 4.705 1.00 0.00 C ATOM 353 CZ TYR A 20 -2.944 7.209 5.442 1.00 0.00 C ATOM 354 OH TYR A 20 -2.890 7.162 6.816 1.00 0.00 O ATOM 0 H TYR A 20 -4.957 6.107 0.057 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.829 8.632 1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.064 6.342 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.233 7.885 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.558 9.365 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.532 5.233 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.463 9.281 5.388 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.439 5.148 5.204 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.472 6.444 7.142 1.00 0.00 H new ATOM 364 N LEU A 21 -3.850 8.440 -1.728 1.00 0.00 N ATOM 365 CA LEU A 21 -3.493 9.246 -2.892 1.00 0.00 C ATOM 366 C LEU A 21 -4.675 10.096 -3.347 1.00 0.00 C ATOM 367 O LEU A 21 -4.544 11.302 -3.551 1.00 0.00 O ATOM 368 CB LEU A 21 -3.021 8.356 -4.047 1.00 0.00 C ATOM 369 CG LEU A 21 -2.194 7.131 -3.643 1.00 0.00 C ATOM 370 CD1 LEU A 21 -2.651 5.899 -4.411 1.00 0.00 C ATOM 371 CD2 LEU A 21 -0.711 7.381 -3.878 1.00 0.00 C ATOM 0 H LEU A 21 -3.970 7.446 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.677 9.906 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.896 8.015 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.428 8.963 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.349 6.953 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.052 5.040 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.701 5.703 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.528 6.071 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.142 6.499 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.540 7.588 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.387 8.235 -3.284 1.00 0.00 H new ATOM 383 N SER A 22 -5.830 9.456 -3.507 1.00 0.00 N ATOM 384 CA SER A 22 -7.038 10.149 -3.940 1.00 0.00 C ATOM 385 C SER A 22 -7.377 11.301 -2.998 1.00 0.00 C ATOM 386 O SER A 22 -7.629 12.422 -3.439 1.00 0.00 O ATOM 387 CB SER A 22 -8.214 9.171 -4.011 1.00 0.00 C ATOM 388 OG SER A 22 -8.031 8.229 -5.053 1.00 0.00 O ATOM 0 H SER A 22 -5.954 8.457 -3.343 1.00 0.00 H new ATOM 0 HA SER A 22 -6.853 10.560 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.316 8.650 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.140 9.722 -4.173 1.00 0.00 H new ATOM 0 HG SER A 22 -7.521 7.463 -4.716 1.00 0.00 H new ATOM 394 N SER A 23 -7.382 11.017 -1.700 1.00 0.00 N ATOM 395 CA SER A 23 -7.689 12.029 -0.697 1.00 0.00 C ATOM 396 C SER A 23 -6.680 13.173 -0.751 1.00 0.00 C ATOM 397 O SER A 23 -7.007 14.317 -0.438 1.00 0.00 O ATOM 398 CB SER A 23 -7.698 11.406 0.700 1.00 0.00 C ATOM 399 OG SER A 23 -8.775 10.499 0.847 1.00 0.00 O ATOM 0 H SER A 23 -7.177 10.094 -1.318 1.00 0.00 H new ATOM 0 HA SER A 23 -8.679 12.431 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.755 10.888 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.775 12.192 1.451 1.00 0.00 H new ATOM 0 HG SER A 23 -8.469 9.592 0.638 1.00 0.00 H new ATOM 405 N ASN A 24 -5.452 12.854 -1.150 1.00 0.00 N ATOM 406 CA ASN A 24 -4.395 13.855 -1.246 1.00 0.00 C ATOM 407 C ASN A 24 -3.106 13.234 -1.774 1.00 0.00 C ATOM 408 O ASN A 24 -2.936 12.016 -1.749 1.00 0.00 O ATOM 409 CB ASN A 24 -4.143 14.501 0.120 1.00 0.00 C ATOM 410 CG ASN A 24 -4.207 13.503 1.260 1.00 0.00 C ATOM 411 OD1 ASN A 24 -5.099 13.566 2.106 1.00 0.00 O ATOM 412 ND2 ASN A 24 -3.258 12.575 1.289 1.00 0.00 N ATOM 0 H ASN A 24 -5.165 11.911 -1.412 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.722 14.624 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.164 14.979 0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.881 15.286 0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.249 11.877 2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.537 12.560 0.567 1.00 0.00 H new ATOM 419 N ARG A 25 -2.203 14.080 -2.256 1.00 0.00 N ATOM 420 CA ARG A 25 -0.929 13.615 -2.794 1.00 0.00 C ATOM 421 C ARG A 25 -0.086 12.954 -1.708 1.00 0.00 C ATOM 422 O ARG A 25 0.661 12.014 -1.975 1.00 0.00 O ATOM 423 CB ARG A 25 -0.158 14.780 -3.418 1.00 0.00 C ATOM 424 CG ARG A 25 -0.457 14.984 -4.894 1.00 0.00 C ATOM 425 CD ARG A 25 -0.221 16.426 -5.317 1.00 0.00 C ATOM 426 NE ARG A 25 -1.380 17.273 -5.042 1.00 0.00 N ATOM 427 CZ ARG A 25 -1.328 18.601 -4.974 1.00 0.00 C ATOM 428 NH1 ARG A 25 -0.179 19.238 -5.162 1.00 0.00 N ATOM 429 NH2 ARG A 25 -2.429 19.295 -4.720 1.00 0.00 N ATOM 0 H ARG A 25 -2.329 15.092 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.139 12.874 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.398 15.695 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.911 14.607 -3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.172 14.322 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.492 14.709 -5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.649 16.820 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.008 16.459 -6.382 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.282 16.820 -4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.671 18.710 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.146 20.256 -5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.315 18.811 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.390 20.313 -4.668 1.00 0.00 H new ATOM 443 N CYS A 26 -0.212 13.451 -0.482 1.00 0.00 N ATOM 444 CA CYS A 26 0.537 12.907 0.645 1.00 0.00 C ATOM 445 C CYS A 26 2.039 13.005 0.400 1.00 0.00 C ATOM 446 O CYS A 26 2.809 12.162 0.860 1.00 0.00 O ATOM 447 CB CYS A 26 0.143 11.449 0.890 1.00 0.00 C ATOM 448 SG CYS A 26 0.073 10.986 2.636 1.00 0.00 S ATOM 0 H CYS A 26 -0.826 14.230 -0.243 1.00 0.00 H new ATOM 0 HA CYS A 26 0.293 13.496 1.529 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.832 11.266 0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.857 10.801 0.382 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.270 9.736 2.740 1.00 0.00 H new ATOM 454 N GLY A 27 2.450 14.040 -0.326 1.00 0.00 N ATOM 455 CA GLY A 27 3.860 14.228 -0.618 1.00 0.00 C ATOM 456 C GLY A 27 4.113 14.557 -2.076 1.00 0.00 C ATOM 457 O GLY A 27 3.387 14.099 -2.958 1.00 0.00 O ATOM 0 H GLY A 27 1.833 14.751 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.253 15.031 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.406 13.323 -0.353 1.00 0.00 H new ATOM 461 N LYS A 28 5.148 15.353 -2.329 1.00 0.00 N ATOM 462 CA LYS A 28 5.497 15.743 -3.690 1.00 0.00 C ATOM 463 C LYS A 28 6.155 14.586 -4.435 1.00 0.00 C ATOM 464 O LYS A 28 7.269 14.178 -4.109 1.00 0.00 O ATOM 465 CB LYS A 28 6.431 16.954 -3.670 1.00 0.00 C ATOM 466 CG LYS A 28 6.015 18.060 -4.628 1.00 0.00 C ATOM 467 CD LYS A 28 5.890 19.399 -3.917 1.00 0.00 C ATOM 468 CE LYS A 28 7.122 20.264 -4.132 1.00 0.00 C ATOM 469 NZ LYS A 28 6.812 21.485 -4.928 1.00 0.00 N ATOM 0 H LYS A 28 5.759 15.740 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 28 4.579 16.011 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.469 17.357 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.440 16.628 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.747 18.141 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.062 17.802 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.008 19.924 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.743 19.233 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.534 20.555 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.889 19.682 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.678 22.048 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.443 21.207 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.099 22.053 -4.428 1.00 0.00 H new ATOM 483 N TYR A 29 5.457 14.062 -5.439 1.00 0.00 N ATOM 484 CA TYR A 29 5.975 12.953 -6.231 1.00 0.00 C ATOM 485 C TYR A 29 6.254 11.738 -5.351 1.00 0.00 C ATOM 486 O TYR A 29 7.306 11.108 -5.458 1.00 0.00 O ATOM 487 CB TYR A 29 7.250 13.375 -6.962 1.00 0.00 C ATOM 488 CG TYR A 29 7.080 14.614 -7.811 1.00 0.00 C ATOM 489 CD1 TYR A 29 6.189 14.632 -8.878 1.00 0.00 C ATOM 490 CD2 TYR A 29 7.810 15.766 -7.548 1.00 0.00 C ATOM 491 CE1 TYR A 29 6.031 15.762 -9.657 1.00 0.00 C ATOM 492 CE2 TYR A 29 7.658 16.901 -8.321 1.00 0.00 C ATOM 493 CZ TYR A 29 6.767 16.894 -9.375 1.00 0.00 C ATOM 494 OH TYR A 29 6.613 18.021 -10.148 1.00 0.00 O ATOM 0 H TYR A 29 4.533 14.388 -5.722 1.00 0.00 H new ATOM 0 HA TYR A 29 5.218 12.678 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.037 13.552 -6.229 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.584 12.554 -7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.611 13.748 -9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.509 15.775 -6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.335 15.759 -10.483 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.233 17.789 -8.102 1.00 0.00 H new ATOM 0 HH TYR A 29 7.203 18.729 -9.815 1.00 0.00 H new ATOM 504 N VAL A 30 5.305 11.416 -4.478 1.00 0.00 N ATOM 505 CA VAL A 30 5.446 10.279 -3.577 1.00 0.00 C ATOM 506 C VAL A 30 5.653 8.982 -4.354 1.00 0.00 C ATOM 507 O VAL A 30 4.769 8.540 -5.088 1.00 0.00 O ATOM 508 CB VAL A 30 4.213 10.132 -2.662 1.00 0.00 C ATOM 509 CG1 VAL A 30 2.958 9.893 -3.488 1.00 0.00 C ATOM 510 CG2 VAL A 30 4.421 9.007 -1.657 1.00 0.00 C ATOM 0 H VAL A 30 4.429 11.928 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 30 6.324 10.470 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 30 4.084 11.062 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.099 9.792 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.799 10.736 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.075 8.980 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.540 8.920 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.579 8.069 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.293 9.226 -1.041 1.00 0.00 H new ATOM 520 N ASP A 31 6.826 8.378 -4.187 1.00 0.00 N ATOM 521 CA ASP A 31 7.148 7.132 -4.871 1.00 0.00 C ATOM 522 C ASP A 31 6.881 5.931 -3.970 1.00 0.00 C ATOM 523 O ASP A 31 6.333 6.072 -2.877 1.00 0.00 O ATOM 524 CB ASP A 31 8.610 7.137 -5.321 1.00 0.00 C ATOM 525 CG ASP A 31 8.783 6.612 -6.733 1.00 0.00 C ATOM 526 OD1 ASP A 31 8.135 5.600 -7.073 1.00 0.00 O ATOM 527 OD2 ASP A 31 9.565 7.213 -7.498 1.00 0.00 O ATOM 0 H ASP A 31 7.568 8.732 -3.584 1.00 0.00 H new ATOM 0 HA ASP A 31 6.507 7.051 -5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.001 8.153 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.200 6.529 -4.635 1.00 0.00 H new ATOM 532 N THR A 32 7.272 4.749 -4.435 1.00 0.00 N ATOM 533 CA THR A 32 7.075 3.523 -3.669 1.00 0.00 C ATOM 534 C THR A 32 7.839 3.575 -2.350 1.00 0.00 C ATOM 535 O THR A 32 7.258 3.411 -1.278 1.00 0.00 O ATOM 536 CB THR A 32 7.520 2.309 -4.483 1.00 0.00 C ATOM 537 OG1 THR A 32 8.931 2.271 -4.598 1.00 0.00 O ATOM 538 CG2 THR A 32 6.944 2.281 -5.883 1.00 0.00 C ATOM 0 H THR A 32 7.727 4.614 -5.338 1.00 0.00 H new ATOM 0 HA THR A 32 6.012 3.431 -3.448 1.00 0.00 H new ATOM 0 HB THR A 32 7.145 1.444 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.182 1.703 -5.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.300 1.393 -6.405 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.856 2.257 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.261 3.172 -6.425 1.00 0.00 H new ATOM 546 N GLY A 33 9.146 3.806 -2.438 1.00 0.00 N ATOM 547 CA GLY A 33 9.967 3.876 -1.243 1.00 0.00 C ATOM 548 C GLY A 33 9.496 4.949 -0.280 1.00 0.00 C ATOM 549 O GLY A 33 9.566 4.777 0.937 1.00 0.00 O ATOM 0 H GLY A 33 9.650 3.946 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.955 2.909 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.001 4.074 -1.527 1.00 0.00 H new ATOM 553 N ILE A 34 9.013 6.058 -0.829 1.00 0.00 N ATOM 554 CA ILE A 34 8.525 7.165 -0.016 1.00 0.00 C ATOM 555 C ILE A 34 7.130 6.868 0.527 1.00 0.00 C ATOM 556 O ILE A 34 6.810 7.211 1.666 1.00 0.00 O ATOM 557 CB ILE A 34 8.490 8.479 -0.827 1.00 0.00 C ATOM 558 CG1 ILE A 34 9.894 8.834 -1.320 1.00 0.00 C ATOM 559 CG2 ILE A 34 7.914 9.617 0.008 1.00 0.00 C ATOM 560 CD1 ILE A 34 10.288 8.115 -2.592 1.00 0.00 C ATOM 0 H ILE A 34 8.949 6.214 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 34 9.216 7.284 0.819 1.00 0.00 H new ATOM 0 HB ILE A 34 7.842 8.332 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.950 9.910 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.616 8.595 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.900 10.532 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.898 9.366 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.532 9.768 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.295 8.415 -2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.265 7.038 -2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.589 8.373 -3.387 1.00 0.00 H new ATOM 572 N LEU A 35 6.303 6.228 -0.294 1.00 0.00 N ATOM 573 CA LEU A 35 4.944 5.885 0.105 1.00 0.00 C ATOM 574 C LEU A 35 4.948 4.776 1.153 1.00 0.00 C ATOM 575 O LEU A 35 4.264 4.870 2.172 1.00 0.00 O ATOM 576 CB LEU A 35 4.127 5.447 -1.113 1.00 0.00 C ATOM 577 CG LEU A 35 2.658 5.132 -0.828 1.00 0.00 C ATOM 578 CD1 LEU A 35 1.910 6.394 -0.425 1.00 0.00 C ATOM 579 CD2 LEU A 35 2.007 4.490 -2.044 1.00 0.00 C ATOM 0 H LEU A 35 6.551 5.937 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 35 4.486 6.772 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.175 6.234 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.595 4.563 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 35 2.611 4.426 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.866 6.151 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.362 6.814 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.965 7.123 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.962 4.272 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.065 5.173 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.527 3.564 -2.289 1.00 0.00 H new ATOM 591 N ALA A 36 5.724 3.728 0.896 1.00 0.00 N ATOM 592 CA ALA A 36 5.817 2.602 1.817 1.00 0.00 C ATOM 593 C ALA A 36 6.293 3.056 3.193 1.00 0.00 C ATOM 594 O ALA A 36 5.715 2.687 4.214 1.00 0.00 O ATOM 595 CB ALA A 36 6.753 1.540 1.258 1.00 0.00 C ATOM 0 H ALA A 36 6.297 3.635 0.057 1.00 0.00 H new ATOM 0 HA ALA A 36 4.821 2.173 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.813 0.705 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.371 1.186 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.746 1.968 1.117 1.00 0.00 H new ATOM 601 N SER A 37 7.350 3.860 3.210 1.00 0.00 N ATOM 602 CA SER A 37 7.905 4.368 4.460 1.00 0.00 C ATOM 603 C SER A 37 6.881 5.218 5.204 1.00 0.00 C ATOM 604 O SER A 37 6.747 5.121 6.424 1.00 0.00 O ATOM 605 CB SER A 37 9.168 5.189 4.183 1.00 0.00 C ATOM 606 OG SER A 37 10.335 4.453 4.506 1.00 0.00 O ATOM 0 H SER A 37 7.840 4.174 2.373 1.00 0.00 H new ATOM 0 HA SER A 37 8.165 3.516 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.195 5.477 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.142 6.110 4.766 1.00 0.00 H new ATOM 0 HG SER A 37 11.128 4.998 4.319 1.00 0.00 H new ATOM 612 N ASP A 38 6.160 6.053 4.462 1.00 0.00 N ATOM 613 CA ASP A 38 5.148 6.921 5.053 1.00 0.00 C ATOM 614 C ASP A 38 3.944 6.114 5.525 1.00 0.00 C ATOM 615 O ASP A 38 3.370 6.395 6.577 1.00 0.00 O ATOM 616 CB ASP A 38 4.702 7.980 4.042 1.00 0.00 C ATOM 617 CG ASP A 38 3.828 9.047 4.670 1.00 0.00 C ATOM 618 OD1 ASP A 38 3.261 8.789 5.753 1.00 0.00 O ATOM 619 OD2 ASP A 38 3.709 10.141 4.079 1.00 0.00 O ATOM 0 H ASP A 38 6.258 6.147 3.451 1.00 0.00 H new ATOM 0 HA ASP A 38 5.591 7.416 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.581 8.449 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.156 7.497 3.232 1.00 0.00 H new ATOM 624 N LEU A 39 3.565 5.110 4.740 1.00 0.00 N ATOM 625 CA LEU A 39 2.427 4.262 5.078 1.00 0.00 C ATOM 626 C LEU A 39 2.644 3.567 6.420 1.00 0.00 C ATOM 627 O LEU A 39 1.740 3.505 7.252 1.00 0.00 O ATOM 628 CB LEU A 39 2.195 3.221 3.980 1.00 0.00 C ATOM 629 CG LEU A 39 0.727 2.941 3.652 1.00 0.00 C ATOM 630 CD1 LEU A 39 -0.001 4.234 3.316 1.00 0.00 C ATOM 631 CD2 LEU A 39 0.619 1.951 2.502 1.00 0.00 C ATOM 0 H LEU A 39 4.029 4.864 3.866 1.00 0.00 H new ATOM 0 HA LEU A 39 1.544 4.897 5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.697 3.555 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.669 2.287 4.281 1.00 0.00 H new ATOM 0 HG LEU A 39 0.255 2.501 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.044 4.015 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.048 4.911 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.471 4.703 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.432 1.763 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.107 2.364 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.104 1.016 2.780 1.00 0.00 H new ATOM 643 N GLN A 40 3.849 3.043 6.621 1.00 0.00 N ATOM 644 CA GLN A 40 4.185 2.350 7.859 1.00 0.00 C ATOM 645 C GLN A 40 4.372 3.339 9.007 1.00 0.00 C ATOM 646 O GLN A 40 4.038 3.044 10.154 1.00 0.00 O ATOM 647 CB GLN A 40 5.457 1.521 7.675 1.00 0.00 C ATOM 648 CG GLN A 40 5.192 0.072 7.305 1.00 0.00 C ATOM 649 CD GLN A 40 6.415 -0.619 6.734 1.00 0.00 C ATOM 650 OE1 GLN A 40 6.998 -0.028 5.698 1.00 0.00 O flip ATOM 651 NE2 GLN A 40 6.832 -1.670 7.220 1.00 0.00 N flip ATOM 0 H GLN A 40 4.609 3.085 5.942 1.00 0.00 H new ATOM 0 HA GLN A 40 3.357 1.686 8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.070 1.979 6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.037 1.551 8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.854 -0.469 8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.382 0.029 6.576 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.352 -2.089 8.017 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.657 -2.122 6.826 1.00 0.00 H new ATOM 660 N ARG A 41 4.911 4.512 8.689 1.00 0.00 N ATOM 661 CA ARG A 41 5.147 5.542 9.692 1.00 0.00 C ATOM 662 C ARG A 41 3.835 6.020 10.310 1.00 0.00 C ATOM 663 O ARG A 41 3.733 6.184 11.526 1.00 0.00 O ATOM 664 CB ARG A 41 5.897 6.725 9.072 1.00 0.00 C ATOM 665 CG ARG A 41 7.255 6.981 9.703 1.00 0.00 C ATOM 666 CD ARG A 41 8.251 5.890 9.341 1.00 0.00 C ATOM 667 NE ARG A 41 9.540 6.086 10.000 1.00 0.00 N ATOM 668 CZ ARG A 41 10.493 5.158 10.057 1.00 0.00 C ATOM 669 NH1 ARG A 41 10.305 3.970 9.495 1.00 0.00 N ATOM 670 NH2 ARG A 41 11.635 5.418 10.677 1.00 0.00 N ATOM 0 H ARG A 41 5.192 4.772 7.744 1.00 0.00 H new ATOM 0 HA ARG A 41 5.758 5.107 10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.030 6.542 8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.286 7.623 9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.635 7.947 9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.150 7.035 10.787 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.844 4.919 9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.395 5.874 8.261 1.00 0.00 H new ATOM 0 HE ARG A 41 9.721 6.987 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.428 3.765 9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.038 3.262 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.784 6.329 11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.365 4.707 10.721 1.00 0.00 H new ATOM 684 N LEU A 42 2.833 6.244 9.465 1.00 0.00 N ATOM 685 CA LEU A 42 1.531 6.706 9.932 1.00 0.00 C ATOM 686 C LEU A 42 0.732 5.562 10.549 1.00 0.00 C ATOM 687 O LEU A 42 -0.012 5.760 11.510 1.00 0.00 O ATOM 688 CB LEU A 42 0.743 7.338 8.782 1.00 0.00 C ATOM 689 CG LEU A 42 0.561 6.450 7.549 1.00 0.00 C ATOM 690 CD1 LEU A 42 -0.697 5.607 7.682 1.00 0.00 C ATOM 691 CD2 LEU A 42 0.506 7.297 6.287 1.00 0.00 C ATOM 0 H LEU A 42 2.898 6.113 8.455 1.00 0.00 H new ATOM 0 HA LEU A 42 1.699 7.460 10.701 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.242 7.624 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.248 8.255 8.478 1.00 0.00 H new ATOM 0 HG LEU A 42 1.418 5.780 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.811 4.982 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.619 4.974 8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.564 6.260 7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.376 6.650 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.332 7.991 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.435 7.859 6.185 1.00 0.00 H new ATOM 703 N TYR A 43 0.889 4.365 9.993 1.00 0.00 N ATOM 704 CA TYR A 43 0.181 3.191 10.493 1.00 0.00 C ATOM 705 C TYR A 43 1.133 2.256 11.234 1.00 0.00 C ATOM 706 O TYR A 43 1.097 1.039 11.047 1.00 0.00 O ATOM 707 CB TYR A 43 -0.496 2.447 9.340 1.00 0.00 C ATOM 708 CG TYR A 43 -1.917 2.896 9.082 1.00 0.00 C ATOM 709 CD1 TYR A 43 -2.808 3.083 10.131 1.00 0.00 C ATOM 710 CD2 TYR A 43 -2.367 3.130 7.789 1.00 0.00 C ATOM 711 CE1 TYR A 43 -4.107 3.494 9.899 1.00 0.00 C ATOM 712 CE2 TYR A 43 -3.664 3.541 7.549 1.00 0.00 C ATOM 713 CZ TYR A 43 -4.531 3.721 8.607 1.00 0.00 C ATOM 714 OH TYR A 43 -5.823 4.129 8.372 1.00 0.00 O ATOM 0 H TYR A 43 1.500 4.182 9.197 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.583 3.528 11.193 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.091 2.588 8.433 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.495 1.379 9.557 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.480 2.904 11.144 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.692 2.988 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.787 3.637 10.726 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.998 3.721 6.538 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.959 4.245 7.408 1.00 0.00 H new ATOM 724 N SER A 44 1.984 2.831 12.077 1.00 0.00 N ATOM 725 CA SER A 44 2.945 2.049 12.846 1.00 0.00 C ATOM 726 C SER A 44 2.230 1.063 13.765 1.00 0.00 C ATOM 727 O SER A 44 2.732 -0.030 14.029 1.00 0.00 O ATOM 728 CB SER A 44 3.844 2.972 13.670 1.00 0.00 C ATOM 729 OG SER A 44 3.074 3.878 14.442 1.00 0.00 O ATOM 0 H SER A 44 2.028 3.836 12.245 1.00 0.00 H new ATOM 0 HA SER A 44 3.561 1.486 12.145 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.477 2.376 14.327 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.507 3.527 13.006 1.00 0.00 H new ATOM 0 HG SER A 44 3.672 4.456 14.961 1.00 0.00 H new ATOM 735 N VAL A 45 1.056 1.455 14.249 1.00 0.00 N ATOM 736 CA VAL A 45 0.273 0.606 15.137 1.00 0.00 C ATOM 737 C VAL A 45 -0.405 -0.521 14.362 1.00 0.00 C ATOM 738 O VAL A 45 -0.524 -1.642 14.853 1.00 0.00 O ATOM 739 CB VAL A 45 -0.797 1.419 15.892 1.00 0.00 C ATOM 740 CG1 VAL A 45 -1.789 2.039 14.919 1.00 0.00 C ATOM 741 CG2 VAL A 45 -1.513 0.546 16.914 1.00 0.00 C ATOM 0 H VAL A 45 0.626 2.356 14.040 1.00 0.00 H new ATOM 0 HA VAL A 45 0.966 0.177 15.861 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.298 2.227 16.426 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.535 2.608 15.473 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.261 2.703 14.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.283 1.251 14.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.264 1.139 17.436 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.998 -0.287 16.405 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.790 0.161 17.633 1.00 0.00 H new ATOM 751 N ASP A 46 -0.847 -0.212 13.147 1.00 0.00 N ATOM 752 CA ASP A 46 -1.514 -1.197 12.303 1.00 0.00 C ATOM 753 C ASP A 46 -0.495 -2.104 11.619 1.00 0.00 C ATOM 754 O ASP A 46 -0.553 -3.327 11.747 1.00 0.00 O ATOM 755 CB ASP A 46 -2.379 -0.497 11.253 1.00 0.00 C ATOM 756 CG ASP A 46 -3.833 -0.403 11.673 1.00 0.00 C ATOM 757 OD1 ASP A 46 -4.091 -0.218 12.881 1.00 0.00 O ATOM 758 OD2 ASP A 46 -4.714 -0.516 10.794 1.00 0.00 O ATOM 0 H ASP A 46 -0.755 0.712 12.725 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.153 -1.812 12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.989 0.505 11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.310 -1.038 10.310 1.00 0.00 H new ATOM 763 N TYR A 47 0.438 -1.496 10.893 1.00 0.00 N ATOM 764 CA TYR A 47 1.470 -2.249 10.190 1.00 0.00 C ATOM 765 C TYR A 47 2.706 -2.424 11.064 1.00 0.00 C ATOM 766 O TYR A 47 3.088 -3.545 11.399 1.00 0.00 O ATOM 767 CB TYR A 47 1.847 -1.541 8.886 1.00 0.00 C ATOM 768 CG TYR A 47 0.944 -1.889 7.725 1.00 0.00 C ATOM 769 CD1 TYR A 47 0.771 -3.208 7.326 1.00 0.00 C ATOM 770 CD2 TYR A 47 0.266 -0.897 7.027 1.00 0.00 C ATOM 771 CE1 TYR A 47 -0.054 -3.530 6.264 1.00 0.00 C ATOM 772 CE2 TYR A 47 -0.561 -1.211 5.965 1.00 0.00 C ATOM 773 CZ TYR A 47 -0.717 -2.528 5.587 1.00 0.00 C ATOM 774 OH TYR A 47 -1.539 -2.844 4.530 1.00 0.00 O ATOM 0 H TYR A 47 0.500 -0.485 10.776 1.00 0.00 H new ATOM 0 HA TYR A 47 1.071 -3.236 9.957 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.819 -0.463 9.047 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.874 -1.798 8.626 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.289 -3.995 7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.387 0.136 7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.178 -4.561 5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.083 -0.429 5.434 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.931 -2.024 4.164 1.00 0.00 H new ATOM 784 N GLY A 48 3.328 -1.308 11.433 1.00 0.00 N ATOM 785 CA GLY A 48 4.514 -1.360 12.266 1.00 0.00 C ATOM 786 C GLY A 48 5.652 -2.117 11.610 1.00 0.00 C ATOM 787 O GLY A 48 6.141 -1.723 10.553 1.00 0.00 O ATOM 0 H GLY A 48 3.031 -0.369 11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.840 -0.345 12.492 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.266 -1.834 13.216 1.00 0.00 H new ATOM 791 N ARG A 49 6.074 -3.208 12.242 1.00 0.00 N ATOM 792 CA ARG A 49 7.161 -4.024 11.714 1.00 0.00 C ATOM 793 C ARG A 49 6.618 -5.214 10.928 1.00 0.00 C ATOM 794 O ARG A 49 7.141 -6.324 11.022 1.00 0.00 O ATOM 795 CB ARG A 49 8.056 -4.516 12.856 1.00 0.00 C ATOM 796 CG ARG A 49 9.001 -3.451 13.389 1.00 0.00 C ATOM 797 CD ARG A 49 10.450 -3.772 13.059 1.00 0.00 C ATOM 798 NE ARG A 49 11.083 -4.581 14.097 1.00 0.00 N ATOM 799 CZ ARG A 49 11.510 -4.093 15.260 1.00 0.00 C ATOM 800 NH1 ARG A 49 11.377 -2.802 15.535 1.00 0.00 N ATOM 801 NH2 ARG A 49 12.073 -4.899 16.150 1.00 0.00 N ATOM 0 H ARG A 49 5.680 -3.547 13.120 1.00 0.00 H new ATOM 0 HA ARG A 49 7.751 -3.406 11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.427 -4.873 13.671 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.641 -5.368 12.508 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.736 -2.483 12.963 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.883 -3.367 14.469 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.496 -4.303 12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.007 -2.844 12.933 1.00 0.00 H new ATOM 0 HE ARG A 49 11.205 -5.578 13.921 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.946 -2.177 14.854 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.706 -2.434 16.428 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.179 -5.892 15.943 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.400 -4.526 17.041 1.00 0.00 H new ATOM 815 N ARG A 50 5.566 -4.974 10.154 1.00 0.00 N ATOM 816 CA ARG A 50 4.952 -6.026 9.352 1.00 0.00 C ATOM 817 C ARG A 50 5.773 -6.303 8.096 1.00 0.00 C ATOM 818 O ARG A 50 5.520 -5.730 7.036 1.00 0.00 O ATOM 819 CB ARG A 50 3.522 -5.635 8.969 1.00 0.00 C ATOM 820 CG ARG A 50 2.498 -6.721 9.261 1.00 0.00 C ATOM 821 CD ARG A 50 1.639 -7.024 8.044 1.00 0.00 C ATOM 822 NE ARG A 50 1.016 -8.343 8.129 1.00 0.00 N ATOM 823 CZ ARG A 50 0.517 -8.996 7.083 1.00 0.00 C ATOM 824 NH1 ARG A 50 0.567 -8.458 5.871 1.00 0.00 N ATOM 825 NH2 ARG A 50 -0.032 -10.192 7.249 1.00 0.00 N ATOM 0 H ARG A 50 5.120 -4.061 10.065 1.00 0.00 H new ATOM 0 HA ARG A 50 4.923 -6.936 9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.244 -4.730 9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.492 -5.394 7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.011 -7.629 9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.861 -6.408 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.865 -6.263 7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.252 -6.970 7.145 1.00 0.00 H new ATOM 0 HE ARG A 50 0.960 -8.789 9.044 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.990 -7.539 5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.183 -8.963 5.073 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.071 -10.611 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.415 -10.693 6.447 1.00 0.00 H new ATOM 839 N LYS A 51 6.758 -7.188 8.222 1.00 0.00 N ATOM 840 CA LYS A 51 7.616 -7.543 7.099 1.00 0.00 C ATOM 841 C LYS A 51 8.324 -6.311 6.541 1.00 0.00 C ATOM 842 O LYS A 51 7.710 -5.476 5.878 1.00 0.00 O ATOM 843 CB LYS A 51 6.794 -8.218 6.001 1.00 0.00 C ATOM 844 CG LYS A 51 6.892 -9.735 6.014 1.00 0.00 C ATOM 845 CD LYS A 51 5.735 -10.375 5.264 1.00 0.00 C ATOM 846 CE LYS A 51 6.174 -11.632 4.531 1.00 0.00 C ATOM 847 NZ LYS A 51 5.793 -12.868 5.270 1.00 0.00 N ATOM 0 H LYS A 51 6.981 -7.672 9.092 1.00 0.00 H new ATOM 0 HA LYS A 51 8.374 -8.240 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.749 -7.929 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.126 -7.849 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.835 -10.044 5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.901 -10.091 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.937 -10.621 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.323 -9.661 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.724 -11.649 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.255 -11.612 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.110 -13.703 4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.243 -12.864 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.760 -12.901 5.382 1.00 0.00 H new ATOM 861 N ARG A 52 9.618 -6.205 6.819 1.00 0.00 N ATOM 862 CA ARG A 52 10.412 -5.076 6.348 1.00 0.00 C ATOM 863 C ARG A 52 10.555 -5.093 4.829 1.00 0.00 C ATOM 864 O ARG A 52 10.172 -4.141 4.150 1.00 0.00 O ATOM 865 CB ARG A 52 11.796 -5.094 7.001 1.00 0.00 C ATOM 866 CG ARG A 52 12.569 -3.797 6.825 1.00 0.00 C ATOM 867 CD ARG A 52 13.013 -3.225 8.161 1.00 0.00 C ATOM 868 NE ARG A 52 11.976 -2.402 8.777 1.00 0.00 N ATOM 869 CZ ARG A 52 11.949 -2.086 10.071 1.00 0.00 C ATOM 870 NH1 ARG A 52 12.901 -2.519 10.886 1.00 0.00 N ATOM 871 NH2 ARG A 52 10.968 -1.334 10.548 1.00 0.00 N ATOM 0 H ARG A 52 10.140 -6.887 7.369 1.00 0.00 H new ATOM 0 HA ARG A 52 9.891 -4.161 6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.683 -5.298 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.377 -5.914 6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.442 -3.975 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.946 -3.069 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.276 -4.040 8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.913 -2.627 8.018 1.00 0.00 H new ATOM 0 HE ARG A 52 11.228 -2.048 8.181 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.659 -3.097 10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.875 -2.274 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.234 -0.997 9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.947 -1.092 11.539 1.00 0.00 H new ATOM 885 N ASN A 53 11.114 -6.178 4.304 1.00 0.00 N ATOM 886 CA ASN A 53 11.318 -6.315 2.865 1.00 0.00 C ATOM 887 C ASN A 53 10.004 -6.594 2.140 1.00 0.00 C ATOM 888 O ASN A 53 9.696 -5.960 1.131 1.00 0.00 O ATOM 889 CB ASN A 53 12.319 -7.436 2.577 1.00 0.00 C ATOM 890 CG ASN A 53 13.740 -6.923 2.450 1.00 0.00 C ATOM 891 OD1 ASN A 53 14.593 -7.208 3.292 1.00 0.00 O ATOM 892 ND2 ASN A 53 14.003 -6.161 1.395 1.00 0.00 N ATOM 0 H ASN A 53 11.434 -6.976 4.853 1.00 0.00 H new ATOM 0 HA ASN A 53 11.716 -5.371 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.273 -8.175 3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.036 -7.945 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 53 14.942 -5.787 1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.266 -5.950 0.722 1.00 0.00 H new ATOM 899 N ALA A 54 9.235 -7.548 2.655 1.00 0.00 N ATOM 900 CA ALA A 54 7.958 -7.912 2.048 1.00 0.00 C ATOM 901 C ALA A 54 7.059 -6.691 1.869 1.00 0.00 C ATOM 902 O ALA A 54 6.508 -6.469 0.790 1.00 0.00 O ATOM 903 CB ALA A 54 7.259 -8.970 2.889 1.00 0.00 C ATOM 0 H ALA A 54 9.473 -8.083 3.490 1.00 0.00 H new ATOM 0 HA ALA A 54 8.160 -8.323 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.308 -9.233 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.889 -9.857 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.079 -8.579 3.890 1.00 0.00 H new ATOM 909 N PHE A 55 6.913 -5.903 2.929 1.00 0.00 N ATOM 910 CA PHE A 55 6.079 -4.708 2.881 1.00 0.00 C ATOM 911 C PHE A 55 6.559 -3.753 1.793 1.00 0.00 C ATOM 912 O PHE A 55 5.761 -3.234 1.013 1.00 0.00 O ATOM 913 CB PHE A 55 6.081 -3.999 4.236 1.00 0.00 C ATOM 914 CG PHE A 55 5.117 -2.849 4.312 1.00 0.00 C ATOM 915 CD1 PHE A 55 5.483 -1.590 3.861 1.00 0.00 C ATOM 916 CD2 PHE A 55 3.845 -3.027 4.833 1.00 0.00 C ATOM 917 CE1 PHE A 55 4.598 -0.531 3.930 1.00 0.00 C ATOM 918 CE2 PHE A 55 2.956 -1.972 4.904 1.00 0.00 C ATOM 919 CZ PHE A 55 3.333 -0.722 4.451 1.00 0.00 C ATOM 0 H PHE A 55 7.361 -6.070 3.830 1.00 0.00 H new ATOM 0 HA PHE A 55 5.061 -5.018 2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.836 -4.721 5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.087 -3.634 4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.470 -1.435 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.545 -4.002 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.895 0.445 3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.968 -2.124 5.313 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.640 0.104 4.504 1.00 0.00 H new ATOM 929 N ARG A 56 7.869 -3.526 1.744 1.00 0.00 N ATOM 930 CA ARG A 56 8.452 -2.636 0.747 1.00 0.00 C ATOM 931 C ARG A 56 8.108 -3.105 -0.662 1.00 0.00 C ATOM 932 O ARG A 56 7.613 -2.331 -1.482 1.00 0.00 O ATOM 933 CB ARG A 56 9.971 -2.567 0.918 1.00 0.00 C ATOM 934 CG ARG A 56 10.409 -1.810 2.162 1.00 0.00 C ATOM 935 CD ARG A 56 10.879 -0.405 1.825 1.00 0.00 C ATOM 936 NE ARG A 56 12.255 -0.390 1.334 1.00 0.00 N ATOM 937 CZ ARG A 56 13.031 0.692 1.328 1.00 0.00 C ATOM 938 NH1 ARG A 56 12.570 1.850 1.785 1.00 0.00 N ATOM 939 NH2 ARG A 56 14.271 0.616 0.865 1.00 0.00 N ATOM 0 H ARG A 56 8.545 -3.946 2.382 1.00 0.00 H new ATOM 0 HA ARG A 56 8.033 -1.640 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.370 -3.580 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.406 -2.089 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.580 -1.757 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.214 -2.355 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.221 0.026 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.804 0.225 2.712 1.00 0.00 H new ATOM 0 HE ARG A 56 12.645 -1.261 0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.617 1.914 2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.169 2.676 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.631 -0.271 0.513 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.865 1.445 0.860 1.00 0.00 H new ATOM 953 N ILE A 57 8.365 -4.380 -0.934 1.00 0.00 N ATOM 954 CA ILE A 57 8.075 -4.953 -2.242 1.00 0.00 C ATOM 955 C ILE A 57 6.583 -4.874 -2.547 1.00 0.00 C ATOM 956 O ILE A 57 6.182 -4.711 -3.699 1.00 0.00 O ATOM 957 CB ILE A 57 8.534 -6.422 -2.330 1.00 0.00 C ATOM 958 CG1 ILE A 57 10.000 -6.550 -1.912 1.00 0.00 C ATOM 959 CG2 ILE A 57 8.332 -6.961 -3.740 1.00 0.00 C ATOM 960 CD1 ILE A 57 10.317 -7.850 -1.206 1.00 0.00 C ATOM 0 H ILE A 57 8.773 -5.035 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 57 8.628 -4.370 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 57 7.927 -7.014 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.630 -6.464 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.256 -5.718 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.661 -7.999 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.276 -6.904 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.914 -6.366 -4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.374 -7.871 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.713 -7.930 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.093 -8.687 -1.867 1.00 0.00 H new ATOM 972 N GLN A 58 5.766 -4.987 -1.504 1.00 0.00 N ATOM 973 CA GLN A 58 4.318 -4.923 -1.659 1.00 0.00 C ATOM 974 C GLN A 58 3.887 -3.530 -2.102 1.00 0.00 C ATOM 975 O GLN A 58 3.082 -3.382 -3.021 1.00 0.00 O ATOM 976 CB GLN A 58 3.625 -5.293 -0.345 1.00 0.00 C ATOM 977 CG GLN A 58 3.210 -6.754 -0.266 1.00 0.00 C ATOM 978 CD GLN A 58 3.841 -7.479 0.907 1.00 0.00 C ATOM 979 OE1 GLN A 58 4.398 -8.565 0.754 1.00 0.00 O ATOM 980 NE2 GLN A 58 3.756 -6.878 2.089 1.00 0.00 N ATOM 0 H GLN A 58 6.082 -5.123 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 58 4.024 -5.639 -2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.295 -5.069 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.742 -4.666 -0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.125 -6.815 -0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.489 -7.257 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.285 -5.977 2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.162 -7.318 2.915 1.00 0.00 H new ATOM 989 N VAL A 59 4.432 -2.510 -1.447 1.00 0.00 N ATOM 990 CA VAL A 59 4.108 -1.129 -1.779 1.00 0.00 C ATOM 991 C VAL A 59 4.546 -0.798 -3.200 1.00 0.00 C ATOM 992 O VAL A 59 3.850 -0.088 -3.927 1.00 0.00 O ATOM 993 CB VAL A 59 4.773 -0.141 -0.802 1.00 0.00 C ATOM 994 CG1 VAL A 59 4.276 1.275 -1.054 1.00 0.00 C ATOM 995 CG2 VAL A 59 4.516 -0.558 0.638 1.00 0.00 C ATOM 0 H VAL A 59 5.100 -2.615 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 59 3.026 -1.026 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 59 5.849 -0.158 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.757 1.959 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.519 1.570 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.196 1.312 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.994 0.152 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.443 -0.572 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.927 -1.553 0.808 1.00 0.00 H new ATOM 1005 N GLU A 60 5.704 -1.320 -3.591 1.00 0.00 N ATOM 1006 CA GLU A 60 6.234 -1.084 -4.929 1.00 0.00 C ATOM 1007 C GLU A 60 5.268 -1.606 -5.987 1.00 0.00 C ATOM 1008 O GLU A 60 4.966 -0.916 -6.961 1.00 0.00 O ATOM 1009 CB GLU A 60 7.598 -1.760 -5.086 1.00 0.00 C ATOM 1010 CG GLU A 60 8.701 -1.109 -4.266 1.00 0.00 C ATOM 1011 CD GLU A 60 10.081 -1.369 -4.836 1.00 0.00 C ATOM 1012 OE1 GLU A 60 10.272 -1.154 -6.051 1.00 0.00 O ATOM 1013 OE2 GLU A 60 10.972 -1.788 -4.067 1.00 0.00 O ATOM 0 H GLU A 60 6.293 -1.908 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 60 6.354 -0.009 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.511 -2.807 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.882 -1.745 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.528 -0.034 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.658 -1.484 -3.243 1.00 0.00 H new ATOM 1020 N LYS A 61 4.783 -2.826 -5.784 1.00 0.00 N ATOM 1021 CA LYS A 61 3.847 -3.442 -6.716 1.00 0.00 C ATOM 1022 C LYS A 61 2.456 -2.833 -6.565 1.00 0.00 C ATOM 1023 O LYS A 61 1.737 -2.652 -7.548 1.00 0.00 O ATOM 1024 CB LYS A 61 3.787 -4.954 -6.488 1.00 0.00 C ATOM 1025 CG LYS A 61 4.579 -5.755 -7.509 1.00 0.00 C ATOM 1026 CD LYS A 61 6.032 -5.312 -7.561 1.00 0.00 C ATOM 1027 CE LYS A 61 6.965 -6.485 -7.808 1.00 0.00 C ATOM 1028 NZ LYS A 61 8.042 -6.144 -8.778 1.00 0.00 N ATOM 0 H LYS A 61 5.023 -3.408 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 61 4.199 -3.252 -7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.165 -5.178 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.746 -5.276 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.530 -6.815 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.127 -5.639 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.159 -4.572 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.299 -4.825 -6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.412 -6.798 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.392 -7.332 -8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.657 -6.971 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.617 -5.870 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.606 -5.353 -8.407 1.00 0.00 H new ATOM 1042 N VAL A 62 2.082 -2.518 -5.329 1.00 0.00 N ATOM 1043 CA VAL A 62 0.779 -1.930 -5.052 1.00 0.00 C ATOM 1044 C VAL A 62 0.675 -0.532 -5.656 1.00 0.00 C ATOM 1045 O VAL A 62 -0.405 -0.100 -6.058 1.00 0.00 O ATOM 1046 CB VAL A 62 0.499 -1.864 -3.534 1.00 0.00 C ATOM 1047 CG1 VAL A 62 -0.613 -0.871 -3.224 1.00 0.00 C ATOM 1048 CG2 VAL A 62 0.143 -3.245 -3.001 1.00 0.00 C ATOM 0 H VAL A 62 2.664 -2.661 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 62 0.030 -2.574 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 62 1.406 -1.519 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.789 -0.845 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.321 0.121 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.527 -1.177 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.052 -3.183 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.747 -3.613 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.973 -3.929 -3.180 1.00 0.00 H new ATOM 1058 N PHE A 63 1.798 0.172 -5.715 1.00 0.00 N ATOM 1059 CA PHE A 63 1.821 1.519 -6.272 1.00 0.00 C ATOM 1060 C PHE A 63 1.635 1.480 -7.786 1.00 0.00 C ATOM 1061 O PHE A 63 0.911 2.297 -8.356 1.00 0.00 O ATOM 1062 CB PHE A 63 3.138 2.214 -5.923 1.00 0.00 C ATOM 1063 CG PHE A 63 3.111 3.699 -6.147 1.00 0.00 C ATOM 1064 CD1 PHE A 63 2.145 4.487 -5.540 1.00 0.00 C ATOM 1065 CD2 PHE A 63 4.050 4.308 -6.964 1.00 0.00 C ATOM 1066 CE1 PHE A 63 2.118 5.854 -5.744 1.00 0.00 C ATOM 1067 CE2 PHE A 63 4.028 5.674 -7.173 1.00 0.00 C ATOM 1068 CZ PHE A 63 3.061 6.448 -6.561 1.00 0.00 C ATOM 0 H PHE A 63 2.702 -0.166 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 63 0.996 2.083 -5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.378 2.017 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.939 1.779 -6.521 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.406 4.028 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.809 3.708 -7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.361 6.457 -5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.765 6.135 -7.813 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.042 7.516 -6.721 1.00 0.00 H new ATOM 1078 N SER A 64 2.296 0.525 -8.431 1.00 0.00 N ATOM 1079 CA SER A 64 2.208 0.374 -9.877 1.00 0.00 C ATOM 1080 C SER A 64 0.873 -0.240 -10.296 1.00 0.00 C ATOM 1081 O SER A 64 0.357 0.054 -11.374 1.00 0.00 O ATOM 1082 CB SER A 64 3.360 -0.492 -10.390 1.00 0.00 C ATOM 1083 OG SER A 64 3.498 -0.380 -11.795 1.00 0.00 O ATOM 0 H SER A 64 2.900 -0.157 -7.973 1.00 0.00 H new ATOM 0 HA SER A 64 2.277 1.368 -10.318 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.289 -0.191 -9.905 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.183 -1.533 -10.121 1.00 0.00 H new ATOM 0 HG SER A 64 4.242 -0.942 -12.096 1.00 0.00 H new ATOM 1089 N ILE A 65 0.327 -1.107 -9.446 1.00 0.00 N ATOM 1090 CA ILE A 65 -0.937 -1.773 -9.744 1.00 0.00 C ATOM 1091 C ILE A 65 -2.133 -0.843 -9.549 1.00 0.00 C ATOM 1092 O ILE A 65 -3.056 -0.834 -10.360 1.00 0.00 O ATOM 1093 CB ILE A 65 -1.120 -3.042 -8.882 1.00 0.00 C ATOM 1094 CG1 ILE A 65 -2.190 -3.948 -9.491 1.00 0.00 C ATOM 1095 CG2 ILE A 65 -1.479 -2.680 -7.447 1.00 0.00 C ATOM 1096 CD1 ILE A 65 -2.277 -5.307 -8.833 1.00 0.00 C ATOM 0 H ILE A 65 0.739 -1.364 -8.549 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.895 -2.061 -10.794 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.173 -3.582 -8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.159 -3.454 -9.415 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.981 -4.080 -10.553 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.602 -3.591 -6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.682 -2.076 -7.014 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.410 -2.114 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.057 -5.896 -9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.321 -5.821 -8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.516 -5.185 -7.777 1.00 0.00 H new ATOM 1108 N ILE A 66 -2.116 -0.068 -8.470 1.00 0.00 N ATOM 1109 CA ILE A 66 -3.210 0.855 -8.180 1.00 0.00 C ATOM 1110 C ILE A 66 -3.466 1.801 -9.349 1.00 0.00 C ATOM 1111 O ILE A 66 -4.605 2.182 -9.612 1.00 0.00 O ATOM 1112 CB ILE A 66 -2.931 1.689 -6.914 1.00 0.00 C ATOM 1113 CG1 ILE A 66 -1.586 2.409 -7.038 1.00 0.00 C ATOM 1114 CG2 ILE A 66 -2.957 0.803 -5.677 1.00 0.00 C ATOM 1115 CD1 ILE A 66 -1.220 3.222 -5.815 1.00 0.00 C ATOM 0 H ILE A 66 -1.361 -0.059 -7.784 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.095 0.241 -8.013 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.714 2.440 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.804 1.672 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.614 3.067 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.758 1.408 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.938 0.336 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.194 0.030 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.255 3.704 -5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.982 3.982 -5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.159 2.566 -4.947 1.00 0.00 H new ATOM 1127 N SER A 67 -2.399 2.183 -10.042 1.00 0.00 N ATOM 1128 CA SER A 67 -2.511 3.092 -11.177 1.00 0.00 C ATOM 1129 C SER A 67 -3.139 2.399 -12.383 1.00 0.00 C ATOM 1130 O SER A 67 -4.087 2.911 -12.980 1.00 0.00 O ATOM 1131 CB SER A 67 -1.133 3.642 -11.552 1.00 0.00 C ATOM 1132 OG SER A 67 -0.113 2.700 -11.269 1.00 0.00 O ATOM 0 H SER A 67 -1.447 1.878 -9.838 1.00 0.00 H new ATOM 0 HA SER A 67 -3.160 3.916 -10.882 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.115 3.894 -12.612 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.944 4.564 -11.002 1.00 0.00 H new ATOM 0 HG SER A 67 -0.402 1.809 -11.557 1.00 0.00 H new ATOM 1138 N SER A 68 -2.602 1.238 -12.743 1.00 0.00 N ATOM 1139 CA SER A 68 -3.107 0.482 -13.885 1.00 0.00 C ATOM 1140 C SER A 68 -4.445 -0.179 -13.568 1.00 0.00 C ATOM 1141 O SER A 68 -5.404 -0.060 -14.330 1.00 0.00 O ATOM 1142 CB SER A 68 -2.090 -0.580 -14.305 1.00 0.00 C ATOM 1143 OG SER A 68 -2.680 -1.544 -15.159 1.00 0.00 O ATOM 0 H SER A 68 -1.817 0.800 -12.261 1.00 0.00 H new ATOM 0 HA SER A 68 -3.261 1.182 -14.706 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.252 -0.104 -14.814 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.687 -1.072 -13.420 1.00 0.00 H new ATOM 0 HG SER A 68 -2.008 -2.210 -15.414 1.00 0.00 H new ATOM 1149 N GLU A 69 -4.501 -0.882 -12.442 1.00 0.00 N ATOM 1150 CA GLU A 69 -5.718 -1.572 -12.026 1.00 0.00 C ATOM 1151 C GLU A 69 -6.891 -0.602 -11.909 1.00 0.00 C ATOM 1152 O GLU A 69 -7.975 -0.859 -12.433 1.00 0.00 O ATOM 1153 CB GLU A 69 -5.495 -2.280 -10.690 1.00 0.00 C ATOM 1154 CG GLU A 69 -6.343 -3.529 -10.515 1.00 0.00 C ATOM 1155 CD GLU A 69 -6.841 -3.702 -9.094 1.00 0.00 C ATOM 1156 OE1 GLU A 69 -5.998 -3.806 -8.178 1.00 0.00 O ATOM 1157 OE2 GLU A 69 -8.074 -3.733 -8.895 1.00 0.00 O ATOM 0 H GLU A 69 -3.716 -0.989 -11.799 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.960 -2.311 -12.789 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.443 -2.550 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.714 -1.585 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.196 -3.482 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.758 -4.404 -10.800 1.00 0.00 H new ATOM 1164 N LYS A 70 -6.670 0.511 -11.216 1.00 0.00 N ATOM 1165 CA LYS A 70 -7.714 1.513 -11.031 1.00 0.00 C ATOM 1166 C LYS A 70 -7.790 2.452 -12.230 1.00 0.00 C ATOM 1167 O LYS A 70 -8.848 2.613 -12.838 1.00 0.00 O ATOM 1168 CB LYS A 70 -7.459 2.315 -9.754 1.00 0.00 C ATOM 1169 CG LYS A 70 -7.085 1.454 -8.557 1.00 0.00 C ATOM 1170 CD LYS A 70 -8.217 0.514 -8.168 1.00 0.00 C ATOM 1171 CE LYS A 70 -8.707 0.783 -6.754 1.00 0.00 C ATOM 1172 NZ LYS A 70 -9.865 1.719 -6.735 1.00 0.00 N ATOM 0 H LYS A 70 -5.780 0.741 -10.774 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.668 0.993 -10.941 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.659 3.032 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.353 2.890 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.193 0.873 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.836 2.094 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.044 0.630 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.876 -0.518 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.993 -0.158 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.893 1.201 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.222 1.810 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.563 2.652 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.620 1.350 -7.348 1.00 0.00 H new ATOM 1186 N GLU A 71 -6.661 3.069 -12.565 1.00 0.00 N ATOM 1187 CA GLU A 71 -6.600 3.992 -13.693 1.00 0.00 C ATOM 1188 C GLU A 71 -7.554 5.166 -13.489 1.00 0.00 C ATOM 1189 O GLU A 71 -8.772 4.999 -13.508 1.00 0.00 O ATOM 1190 CB GLU A 71 -6.939 3.262 -14.995 1.00 0.00 C ATOM 1191 CG GLU A 71 -5.715 2.782 -15.757 1.00 0.00 C ATOM 1192 CD GLU A 71 -6.063 2.221 -17.123 1.00 0.00 C ATOM 1193 OE1 GLU A 71 -6.916 2.822 -17.811 1.00 0.00 O ATOM 1194 OE2 GLU A 71 -5.484 1.182 -17.503 1.00 0.00 O ATOM 0 H GLU A 71 -5.777 2.947 -12.072 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.584 4.381 -13.757 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.574 2.406 -14.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.518 3.928 -15.635 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.017 3.611 -15.875 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.205 2.016 -15.173 1.00 0.00 H new ATOM 1201 N LEU A 72 -6.989 6.353 -13.299 1.00 0.00 N ATOM 1202 CA LEU A 72 -7.789 7.556 -13.094 1.00 0.00 C ATOM 1203 C LEU A 72 -8.339 8.074 -14.419 1.00 0.00 C ATOM 1204 O LEU A 72 -9.506 8.456 -14.511 1.00 0.00 O ATOM 1205 CB LEU A 72 -6.953 8.642 -12.414 1.00 0.00 C ATOM 1206 CG LEU A 72 -5.692 9.060 -13.172 1.00 0.00 C ATOM 1207 CD1 LEU A 72 -5.981 10.252 -14.071 1.00 0.00 C ATOM 1208 CD2 LEU A 72 -4.568 9.386 -12.199 1.00 0.00 C ATOM 0 H LEU A 72 -5.981 6.509 -13.283 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.629 7.299 -12.448 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.579 9.522 -12.268 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.663 8.289 -11.424 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.374 8.226 -13.798 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.073 10.536 -14.602 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.755 9.985 -14.791 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.323 11.091 -13.465 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.679 9.681 -12.756 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.876 10.204 -11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.343 8.507 -11.596 1.00 0.00 H new ATOM 1220 N LYS A 73 -7.492 8.084 -15.443 1.00 0.00 N ATOM 1221 CA LYS A 73 -7.892 8.554 -16.764 1.00 0.00 C ATOM 1222 C LYS A 73 -6.747 8.415 -17.762 1.00 0.00 C ATOM 1223 O LYS A 73 -6.547 9.276 -18.618 1.00 0.00 O ATOM 1224 CB LYS A 73 -8.347 10.014 -16.692 1.00 0.00 C ATOM 1225 CG LYS A 73 -9.432 10.363 -17.698 1.00 0.00 C ATOM 1226 CD LYS A 73 -10.752 9.693 -17.348 1.00 0.00 C ATOM 1227 CE LYS A 73 -11.937 10.593 -17.662 1.00 0.00 C ATOM 1228 NZ LYS A 73 -12.710 10.104 -18.837 1.00 0.00 N ATOM 0 H LYS A 73 -6.523 7.771 -15.383 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.723 7.937 -17.105 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.714 10.222 -15.687 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.487 10.663 -16.858 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.568 11.444 -17.728 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.119 10.053 -18.695 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.846 8.760 -17.904 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.760 9.436 -16.289 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.593 10.646 -16.793 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.583 11.605 -17.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.509 10.745 -19.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.091 10.077 -19.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.070 9.148 -18.642 1.00 0.00 H new ATOM 1242 N ASN A 74 -5.997 7.324 -17.645 1.00 0.00 N ATOM 1243 CA ASN A 74 -4.870 7.071 -18.536 1.00 0.00 C ATOM 1244 C ASN A 74 -5.017 5.720 -19.229 1.00 0.00 C ATOM 1245 O ASN A 74 -4.001 5.205 -19.741 1.00 0.00 O ATOM 1246 CB ASN A 74 -3.556 7.117 -17.756 1.00 0.00 C ATOM 1247 CG ASN A 74 -3.102 8.536 -17.472 1.00 0.00 C ATOM 1248 OD1 ASN A 74 -2.885 9.327 -18.389 1.00 0.00 O ATOM 1249 ND2 ASN A 74 -2.957 8.864 -16.193 1.00 0.00 N ATOM 1250 OXT ASN A 74 -6.147 5.187 -19.252 1.00 0.00 O ATOM 0 H ASN A 74 -6.149 6.601 -16.942 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.859 7.850 -19.298 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.677 6.582 -16.814 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -2.783 6.597 -18.321 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.654 9.804 -15.939 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.148 8.176 -15.465 1.00 0.00 H new TER 1257 ASN A 74