USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= -1.35 (180deg=-1.6) USER MOD Single : A 8 LYS NZ :NH3+ 137:sc= -0.565 (180deg=-2.62!) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 172:sc= -0.0439 (180deg=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= -0.176 (180deg=-0.806) USER MOD Single : A 15 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0437 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -0.0307 (180deg=-0.268) USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.44 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00585 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 133:sc=-0.00192 (180deg=-0.941) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.38) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc=-0.00595 (180deg=-0.108) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 17.180 -4.375 9.463 1.00 22.43 N ATOM 2 CA GLY A -2 18.209 -3.363 9.321 1.00 44.54 C ATOM 3 C GLY A -2 19.333 -3.802 8.404 1.00 65.53 C ATOM 4 O GLY A -2 20.468 -3.345 8.538 1.00 71.15 O ATOM 0 H1 GLY A -2 16.507 -4.084 10.200 1.00 22.43 H new ATOM 0 H2 GLY A -2 16.677 -4.488 8.560 1.00 22.43 H new ATOM 0 H3 GLY A -2 17.617 -5.280 9.731 1.00 22.43 H new ATOM 0 HA2 GLY A -2 17.763 -2.448 8.931 1.00 44.54 H new ATOM 0 HA3 GLY A -2 18.618 -3.125 10.303 1.00 44.54 H new ATOM 8 N SER A -1 19.018 -4.694 7.470 1.00 31.02 N ATOM 9 CA SER A -1 20.011 -5.201 6.529 1.00 25.22 C ATOM 10 C SER A -1 19.638 -4.835 5.097 1.00 73.04 C ATOM 11 O SER A -1 18.516 -4.404 4.825 1.00 63.03 O ATOM 12 CB SER A -1 20.143 -6.719 6.664 1.00 43.24 C ATOM 13 OG SER A -1 20.188 -7.108 8.026 1.00 61.34 O ATOM 0 H SER A -1 18.083 -5.081 7.344 1.00 31.02 H new ATOM 0 HA SER A -1 20.970 -4.739 6.765 1.00 25.22 H new ATOM 0 HB2 SER A -1 19.301 -7.206 6.171 1.00 43.24 H new ATOM 0 HB3 SER A -1 21.047 -7.055 6.156 1.00 43.24 H new ATOM 0 HG SER A -1 20.271 -8.083 8.085 1.00 61.34 H new ATOM 19 N HIS A 0 20.586 -5.012 4.182 1.00 74.34 N ATOM 20 CA HIS A 0 20.358 -4.703 2.774 1.00 2.22 C ATOM 21 C HIS A 0 19.694 -5.876 2.060 1.00 35.35 C ATOM 22 O HIS A 0 18.861 -5.685 1.175 1.00 53.11 O ATOM 23 CB HIS A 0 21.678 -4.353 2.086 1.00 0.15 C ATOM 24 CG HIS A 0 22.393 -3.198 2.716 1.00 24.33 C ATOM 25 ND1 HIS A 0 22.116 -1.883 2.411 1.00 15.55 N ATOM 26 CD2 HIS A 0 23.381 -3.166 3.642 1.00 64.42 C ATOM 27 CE1 HIS A 0 22.901 -1.092 3.119 1.00 23.01 C ATOM 28 NE2 HIS A 0 23.679 -1.847 3.874 1.00 4.34 N ATOM 0 H HIS A 0 21.519 -5.368 4.390 1.00 74.34 H new ATOM 0 HA HIS A 0 19.690 -3.843 2.721 1.00 2.22 H new ATOM 0 HB2 HIS A 0 22.330 -5.226 2.103 1.00 0.15 H new ATOM 0 HB3 HIS A 0 21.482 -4.121 1.039 1.00 0.15 H new ATOM 0 HD2 HIS A 0 23.847 -4.020 4.111 1.00 64.42 H new ATOM 0 HE1 HIS A 0 22.906 -0.013 3.086 1.00 23.01 H new ATOM 0 HE2 HIS A 0 24.387 -1.505 4.524 1.00 4.34 H new ATOM 36 N MET A 1 20.070 -7.090 2.451 1.00 11.41 N ATOM 37 CA MET A 1 19.510 -8.294 1.848 1.00 1.14 C ATOM 38 C MET A 1 18.001 -8.357 2.062 1.00 73.12 C ATOM 39 O MET A 1 17.268 -8.886 1.226 1.00 30.23 O ATOM 40 CB MET A 1 20.174 -9.540 2.437 1.00 22.01 C ATOM 41 CG MET A 1 20.133 -10.745 1.511 1.00 41.10 C ATOM 42 SD MET A 1 21.269 -10.589 0.119 1.00 41.25 S ATOM 43 CE MET A 1 20.193 -11.021 -1.246 1.00 12.35 C ATOM 0 H MET A 1 20.759 -7.266 3.182 1.00 11.41 H new ATOM 0 HA MET A 1 19.705 -8.260 0.776 1.00 1.14 H new ATOM 0 HB2 MET A 1 21.213 -9.310 2.675 1.00 22.01 H new ATOM 0 HB3 MET A 1 19.681 -9.796 3.375 1.00 22.01 H new ATOM 0 HG2 MET A 1 20.380 -11.643 2.078 1.00 41.10 H new ATOM 0 HG3 MET A 1 19.118 -10.875 1.134 1.00 41.10 H new ATOM 0 HE1 MET A 1 20.752 -10.971 -2.180 1.00 12.35 H new ATOM 0 HE2 MET A 1 19.814 -12.033 -1.104 1.00 12.35 H new ATOM 0 HE3 MET A 1 19.357 -10.323 -1.285 1.00 12.35 H new ATOM 53 N VAL A 2 17.543 -7.816 3.186 1.00 25.40 N ATOM 54 CA VAL A 2 16.122 -7.812 3.509 1.00 4.50 C ATOM 55 C VAL A 2 15.555 -6.396 3.476 1.00 63.11 C ATOM 56 O VAL A 2 16.293 -5.420 3.604 1.00 72.00 O ATOM 57 CB VAL A 2 15.859 -8.425 4.897 1.00 1.21 C ATOM 58 CG1 VAL A 2 16.066 -9.932 4.863 1.00 23.10 C ATOM 59 CG2 VAL A 2 16.756 -7.779 5.943 1.00 21.03 C ATOM 0 H VAL A 2 18.136 -7.375 3.889 1.00 25.40 H new ATOM 0 HA VAL A 2 15.624 -8.418 2.752 1.00 4.50 H new ATOM 0 HB VAL A 2 14.822 -8.231 5.170 1.00 1.21 H new ATOM 0 HG11 VAL A 2 15.876 -10.348 5.852 1.00 23.10 H new ATOM 0 HG12 VAL A 2 15.379 -10.378 4.144 1.00 23.10 H new ATOM 0 HG13 VAL A 2 17.092 -10.152 4.568 1.00 23.10 H new ATOM 0 HG21 VAL A 2 16.557 -8.224 6.918 1.00 21.03 H new ATOM 0 HG22 VAL A 2 17.800 -7.941 5.677 1.00 21.03 H new ATOM 0 HG23 VAL A 2 16.554 -6.709 5.985 1.00 21.03 H new ATOM 69 N GLU A 3 14.242 -6.294 3.303 1.00 74.01 N ATOM 70 CA GLU A 3 13.577 -4.998 3.252 1.00 72.10 C ATOM 71 C GLU A 3 12.256 -5.033 4.016 1.00 74.51 C ATOM 72 O GLU A 3 11.593 -6.068 4.082 1.00 62.34 O ATOM 73 CB GLU A 3 13.328 -4.584 1.800 1.00 23.12 C ATOM 74 CG GLU A 3 12.484 -5.577 1.020 1.00 70.40 C ATOM 75 CD GLU A 3 13.297 -6.742 0.489 1.00 42.41 C ATOM 76 OE1 GLU A 3 14.041 -6.545 -0.495 1.00 25.42 O ATOM 77 OE2 GLU A 3 13.189 -7.849 1.055 1.00 11.24 O ATOM 0 H GLU A 3 13.617 -7.093 3.196 1.00 74.01 H new ATOM 0 HA GLU A 3 14.231 -4.265 3.724 1.00 72.10 H new ATOM 0 HB2 GLU A 3 12.835 -3.612 1.788 1.00 23.12 H new ATOM 0 HB3 GLU A 3 14.287 -4.461 1.297 1.00 23.12 H new ATOM 0 HG2 GLU A 3 11.689 -5.956 1.662 1.00 70.40 H new ATOM 0 HG3 GLU A 3 12.003 -5.064 0.187 1.00 70.40 H new ATOM 84 N MET A 4 11.880 -3.896 4.591 1.00 43.21 N ATOM 85 CA MET A 4 10.639 -3.796 5.349 1.00 71.40 C ATOM 86 C MET A 4 9.502 -3.289 4.467 1.00 30.10 C ATOM 87 O MET A 4 9.737 -2.751 3.385 1.00 42.22 O ATOM 88 CB MET A 4 10.823 -2.866 6.550 1.00 73.02 C ATOM 89 CG MET A 4 11.442 -3.549 7.759 1.00 52.04 C ATOM 90 SD MET A 4 11.104 -2.675 9.299 1.00 32.23 S ATOM 91 CE MET A 4 12.729 -2.674 10.052 1.00 72.21 C ATOM 0 H MET A 4 12.417 -3.030 4.546 1.00 43.21 H new ATOM 0 HA MET A 4 10.380 -4.792 5.707 1.00 71.40 H new ATOM 0 HB2 MET A 4 11.452 -2.026 6.256 1.00 73.02 H new ATOM 0 HB3 MET A 4 9.854 -2.454 6.832 1.00 73.02 H new ATOM 0 HG2 MET A 4 11.059 -4.567 7.832 1.00 52.04 H new ATOM 0 HG3 MET A 4 12.520 -3.623 7.617 1.00 52.04 H new ATOM 0 HE1 MET A 4 12.683 -2.167 11.016 1.00 72.21 H new ATOM 0 HE2 MET A 4 13.063 -3.701 10.198 1.00 72.21 H new ATOM 0 HE3 MET A 4 13.431 -2.154 9.401 1.00 72.21 H new ATOM 101 N ARG A 5 8.271 -3.464 4.937 1.00 73.33 N ATOM 102 CA ARG A 5 7.099 -3.026 4.190 1.00 4.32 C ATOM 103 C ARG A 5 7.028 -1.503 4.135 1.00 1.53 C ATOM 104 O ARG A 5 6.978 -0.836 5.168 1.00 3.54 O ATOM 105 CB ARG A 5 5.825 -3.583 4.825 1.00 34.45 C ATOM 106 CG ARG A 5 5.695 -3.270 6.307 1.00 4.12 C ATOM 107 CD ARG A 5 4.710 -2.139 6.554 1.00 13.01 C ATOM 108 NE ARG A 5 3.355 -2.634 6.786 1.00 1.11 N ATOM 109 CZ ARG A 5 2.925 -3.071 7.964 1.00 62.54 C ATOM 110 NH1 ARG A 5 3.738 -3.075 9.012 1.00 40.34 N ATOM 111 NH2 ARG A 5 1.679 -3.507 8.096 1.00 0.04 N ATOM 0 H ARG A 5 8.060 -3.906 5.832 1.00 73.33 H new ATOM 0 HA ARG A 5 7.185 -3.406 3.172 1.00 4.32 H new ATOM 0 HB2 ARG A 5 4.960 -3.178 4.300 1.00 34.45 H new ATOM 0 HB3 ARG A 5 5.803 -4.664 4.688 1.00 34.45 H new ATOM 0 HG2 ARG A 5 5.367 -4.162 6.841 1.00 4.12 H new ATOM 0 HG3 ARG A 5 6.671 -2.998 6.709 1.00 4.12 H new ATOM 0 HD2 ARG A 5 5.036 -1.556 7.416 1.00 13.01 H new ATOM 0 HD3 ARG A 5 4.708 -1.466 5.697 1.00 13.01 H new ATOM 0 HE ARG A 5 2.704 -2.644 6.001 1.00 1.11 H new ATOM 0 HH11 ARG A 5 4.697 -2.742 8.915 1.00 40.34 H new ATOM 0 HH12 ARG A 5 3.404 -3.411 9.915 1.00 40.34 H new ATOM 0 HH21 ARG A 5 1.051 -3.507 7.292 1.00 0.04 H new ATOM 0 HH22 ARG A 5 1.349 -3.843 9.001 1.00 0.04 H new ATOM 125 N MET A 6 7.025 -0.959 2.923 1.00 54.42 N ATOM 126 CA MET A 6 6.960 0.486 2.733 1.00 32.11 C ATOM 127 C MET A 6 6.337 0.830 1.383 1.00 21.53 C ATOM 128 O MET A 6 6.372 0.028 0.450 1.00 14.31 O ATOM 129 CB MET A 6 8.358 1.099 2.834 1.00 13.22 C ATOM 130 CG MET A 6 8.908 1.124 4.251 1.00 44.23 C ATOM 131 SD MET A 6 10.535 1.897 4.350 1.00 0.11 S ATOM 132 CE MET A 6 10.080 3.622 4.518 1.00 61.32 C ATOM 0 H MET A 6 7.067 -1.497 2.057 1.00 54.42 H new ATOM 0 HA MET A 6 6.331 0.903 3.520 1.00 32.11 H new ATOM 0 HB2 MET A 6 9.040 0.535 2.198 1.00 13.22 H new ATOM 0 HB3 MET A 6 8.329 2.117 2.446 1.00 13.22 H new ATOM 0 HG2 MET A 6 8.214 1.662 4.897 1.00 44.23 H new ATOM 0 HG3 MET A 6 8.971 0.104 4.631 1.00 44.23 H new ATOM 0 HE1 MET A 6 10.981 4.231 4.591 1.00 61.32 H new ATOM 0 HE2 MET A 6 9.502 3.932 3.647 1.00 61.32 H new ATOM 0 HE3 MET A 6 9.479 3.754 5.418 1.00 61.32 H new ATOM 142 N LYS A 7 5.770 2.027 1.287 1.00 52.10 N ATOM 143 CA LYS A 7 5.140 2.479 0.051 1.00 30.31 C ATOM 144 C LYS A 7 5.915 3.642 -0.560 1.00 54.03 C ATOM 145 O LYS A 7 6.838 4.178 0.053 1.00 72.11 O ATOM 146 CB LYS A 7 3.693 2.900 0.316 1.00 60.33 C ATOM 147 CG LYS A 7 3.515 3.690 1.601 1.00 53.12 C ATOM 148 CD LYS A 7 3.160 2.784 2.768 1.00 21.02 C ATOM 149 CE LYS A 7 1.805 2.124 2.570 1.00 53.21 C ATOM 150 NZ LYS A 7 1.252 1.597 3.848 1.00 35.01 N ATOM 0 H LYS A 7 5.733 2.703 2.050 1.00 52.10 H new ATOM 0 HA LYS A 7 5.147 1.649 -0.656 1.00 30.31 H new ATOM 0 HB2 LYS A 7 3.339 3.501 -0.522 1.00 60.33 H new ATOM 0 HB3 LYS A 7 3.066 2.009 0.357 1.00 60.33 H new ATOM 0 HG2 LYS A 7 4.434 4.232 1.826 1.00 53.12 H new ATOM 0 HG3 LYS A 7 2.731 4.435 1.466 1.00 53.12 H new ATOM 0 HD2 LYS A 7 3.926 2.017 2.881 1.00 21.02 H new ATOM 0 HD3 LYS A 7 3.152 3.364 3.691 1.00 21.02 H new ATOM 0 HE2 LYS A 7 1.109 2.846 2.143 1.00 53.21 H new ATOM 0 HE3 LYS A 7 1.899 1.309 1.852 1.00 53.21 H new ATOM 0 HZ1 LYS A 7 0.280 1.262 3.694 1.00 35.01 H new ATOM 0 HZ2 LYS A 7 1.841 0.808 4.182 1.00 35.01 H new ATOM 0 HZ3 LYS A 7 1.248 2.353 4.562 1.00 35.01 H new ATOM 164 N LYS A 8 5.533 4.027 -1.773 1.00 41.42 N ATOM 165 CA LYS A 8 6.190 5.129 -2.468 1.00 41.25 C ATOM 166 C LYS A 8 5.200 5.885 -3.349 1.00 32.54 C ATOM 167 O LYS A 8 4.251 5.301 -3.875 1.00 21.54 O ATOM 168 CB LYS A 8 7.348 4.603 -3.320 1.00 0.35 C ATOM 169 CG LYS A 8 8.241 5.699 -3.875 1.00 12.55 C ATOM 170 CD LYS A 8 9.152 5.175 -4.971 1.00 53.14 C ATOM 171 CE LYS A 8 8.380 4.895 -6.252 1.00 63.33 C ATOM 172 NZ LYS A 8 8.842 3.645 -6.916 1.00 33.44 N ATOM 0 H LYS A 8 4.772 3.593 -2.295 1.00 41.42 H new ATOM 0 HA LYS A 8 6.581 5.817 -1.718 1.00 41.25 H new ATOM 0 HB2 LYS A 8 7.952 3.924 -2.718 1.00 0.35 H new ATOM 0 HB3 LYS A 8 6.944 4.021 -4.148 1.00 0.35 H new ATOM 0 HG2 LYS A 8 7.625 6.507 -4.269 1.00 12.55 H new ATOM 0 HG3 LYS A 8 8.844 6.121 -3.071 1.00 12.55 H new ATOM 0 HD2 LYS A 8 9.938 5.903 -5.171 1.00 53.14 H new ATOM 0 HD3 LYS A 8 9.641 4.262 -4.633 1.00 53.14 H new ATOM 0 HE2 LYS A 8 7.317 4.814 -6.025 1.00 63.33 H new ATOM 0 HE3 LYS A 8 8.497 5.735 -6.937 1.00 63.33 H new ATOM 0 HZ1 LYS A 8 8.018 3.102 -7.245 1.00 33.44 H new ATOM 0 HZ2 LYS A 8 9.445 3.886 -7.729 1.00 33.44 H new ATOM 0 HZ3 LYS A 8 9.386 3.073 -6.239 1.00 33.44 H new ATOM 186 N CYS A 9 5.426 7.184 -3.505 1.00 70.00 N ATOM 187 CA CYS A 9 4.553 8.019 -4.323 1.00 23.32 C ATOM 188 C CYS A 9 4.754 7.725 -5.806 1.00 41.33 C ATOM 189 O CYS A 9 5.839 7.907 -6.360 1.00 4.34 O ATOM 190 CB CYS A 9 4.820 9.498 -4.042 1.00 40.44 C ATOM 191 SG CYS A 9 3.669 10.625 -4.865 1.00 60.33 S ATOM 0 H CYS A 9 6.206 7.682 -3.076 1.00 70.00 H new ATOM 0 HA CYS A 9 3.520 7.788 -4.063 1.00 23.32 H new ATOM 0 HB2 CYS A 9 4.771 9.667 -2.966 1.00 40.44 H new ATOM 0 HB3 CYS A 9 5.835 9.739 -4.357 1.00 40.44 H new ATOM 196 N PRO A 10 3.684 7.259 -6.466 1.00 52.35 N ATOM 197 CA PRO A 10 3.718 6.929 -7.895 1.00 72.11 C ATOM 198 C PRO A 10 3.841 8.169 -8.774 1.00 45.21 C ATOM 199 O PRO A 10 3.989 8.068 -9.992 1.00 24.21 O ATOM 200 CB PRO A 10 2.372 6.239 -8.131 1.00 40.14 C ATOM 201 CG PRO A 10 1.479 6.775 -7.066 1.00 41.00 C ATOM 202 CD PRO A 10 2.359 7.018 -5.872 1.00 23.42 C ATOM 0 HA PRO A 10 4.580 6.313 -8.150 1.00 72.11 H new ATOM 0 HB2 PRO A 10 1.982 6.462 -9.124 1.00 40.14 H new ATOM 0 HB3 PRO A 10 2.465 5.155 -8.061 1.00 40.14 H new ATOM 0 HG2 PRO A 10 0.996 7.697 -7.389 1.00 41.00 H new ATOM 0 HG3 PRO A 10 0.686 6.066 -6.828 1.00 41.00 H new ATOM 0 HD2 PRO A 10 2.018 7.874 -5.290 1.00 23.42 H new ATOM 0 HD3 PRO A 10 2.370 6.160 -5.200 1.00 23.42 H new ATOM 210 N LYS A 11 3.781 9.340 -8.149 1.00 34.14 N ATOM 211 CA LYS A 11 3.887 10.601 -8.873 1.00 2.02 C ATOM 212 C LYS A 11 5.311 11.143 -8.813 1.00 2.21 C ATOM 213 O LYS A 11 5.873 11.552 -9.830 1.00 64.30 O ATOM 214 CB LYS A 11 2.914 11.630 -8.293 1.00 52.51 C ATOM 215 CG LYS A 11 1.718 11.907 -9.188 1.00 21.45 C ATOM 216 CD LYS A 11 0.895 10.651 -9.424 1.00 23.50 C ATOM 217 CE LYS A 11 -0.535 10.988 -9.817 1.00 33.33 C ATOM 218 NZ LYS A 11 -1.243 11.739 -8.744 1.00 44.42 N ATOM 0 H LYS A 11 3.659 9.442 -7.141 1.00 34.14 H new ATOM 0 HA LYS A 11 3.630 10.415 -9.916 1.00 2.02 H new ATOM 0 HB2 LYS A 11 2.559 11.277 -7.325 1.00 52.51 H new ATOM 0 HB3 LYS A 11 3.448 12.563 -8.115 1.00 52.51 H new ATOM 0 HG2 LYS A 11 1.091 12.673 -8.732 1.00 21.45 H new ATOM 0 HG3 LYS A 11 2.062 12.303 -10.144 1.00 21.45 H new ATOM 0 HD2 LYS A 11 1.358 10.053 -10.209 1.00 23.50 H new ATOM 0 HD3 LYS A 11 0.891 10.042 -8.520 1.00 23.50 H new ATOM 0 HE2 LYS A 11 -0.530 11.580 -10.732 1.00 33.33 H new ATOM 0 HE3 LYS A 11 -1.078 10.068 -10.035 1.00 33.33 H new ATOM 0 HZ1 LYS A 11 -2.113 11.233 -8.482 1.00 44.42 H new ATOM 0 HZ2 LYS A 11 -0.625 11.820 -7.911 1.00 44.42 H new ATOM 0 HZ3 LYS A 11 -1.486 12.690 -9.088 1.00 44.42 H new ATOM 232 N CYS A 12 5.890 11.143 -7.617 1.00 52.04 N ATOM 233 CA CYS A 12 7.250 11.635 -7.426 1.00 0.24 C ATOM 234 C CYS A 12 8.232 10.476 -7.282 1.00 42.44 C ATOM 235 O CYS A 12 9.202 10.375 -8.032 1.00 31.21 O ATOM 236 CB CYS A 12 7.320 12.535 -6.192 1.00 2.14 C ATOM 237 SG CYS A 12 5.945 13.702 -6.049 1.00 61.42 S ATOM 0 H CYS A 12 5.439 10.808 -6.766 1.00 52.04 H new ATOM 0 HA CYS A 12 7.527 12.215 -8.306 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.345 11.909 -5.300 1.00 2.14 H new ATOM 0 HB3 CYS A 12 8.256 13.094 -6.216 1.00 2.14 H new ATOM 242 N GLY A 13 7.973 9.605 -6.312 1.00 1.21 N ATOM 243 CA GLY A 13 8.844 8.466 -6.085 1.00 41.42 C ATOM 244 C GLY A 13 9.503 8.503 -4.721 1.00 75.33 C ATOM 245 O GLY A 13 10.614 8.000 -4.547 1.00 45.33 O ATOM 0 H GLY A 13 7.176 9.667 -5.679 1.00 1.21 H new ATOM 0 HA2 GLY A 13 8.267 7.546 -6.181 1.00 41.42 H new ATOM 0 HA3 GLY A 13 9.614 8.442 -6.856 1.00 41.42 H new ATOM 249 N LEU A 14 8.819 9.098 -3.751 1.00 51.20 N ATOM 250 CA LEU A 14 9.346 9.200 -2.395 1.00 13.13 C ATOM 251 C LEU A 14 8.817 8.068 -1.519 1.00 20.22 C ATOM 252 O LEU A 14 7.616 7.796 -1.496 1.00 63.21 O ATOM 253 CB LEU A 14 8.973 10.551 -1.781 1.00 71.12 C ATOM 254 CG LEU A 14 8.876 10.591 -0.256 1.00 3.02 C ATOM 255 CD1 LEU A 14 10.229 10.300 0.374 1.00 61.21 C ATOM 256 CD2 LEU A 14 8.349 11.941 0.209 1.00 4.31 C ATOM 0 H LEU A 14 7.898 9.517 -3.878 1.00 51.20 H new ATOM 0 HA LEU A 14 10.432 9.119 -2.447 1.00 13.13 H new ATOM 0 HB2 LEU A 14 9.711 11.288 -2.098 1.00 71.12 H new ATOM 0 HB3 LEU A 14 8.014 10.863 -2.194 1.00 71.12 H new ATOM 0 HG LEU A 14 8.176 9.819 0.064 1.00 3.02 H new ATOM 0 HD11 LEU A 14 10.139 10.333 1.460 1.00 61.21 H new ATOM 0 HD12 LEU A 14 10.568 9.310 0.068 1.00 61.21 H new ATOM 0 HD13 LEU A 14 10.951 11.048 0.047 1.00 61.21 H new ATOM 0 HD21 LEU A 14 8.286 11.952 1.297 1.00 4.31 H new ATOM 0 HD22 LEU A 14 9.024 12.729 -0.124 1.00 4.31 H new ATOM 0 HD23 LEU A 14 7.358 12.110 -0.213 1.00 4.31 H new ATOM 268 N TYR A 15 9.721 7.412 -0.799 1.00 13.34 N ATOM 269 CA TYR A 15 9.346 6.310 0.078 1.00 33.35 C ATOM 270 C TYR A 15 8.820 6.830 1.413 1.00 5.42 C ATOM 271 O TYR A 15 9.224 7.894 1.882 1.00 43.22 O ATOM 272 CB TYR A 15 10.543 5.388 0.314 1.00 2.13 C ATOM 273 CG TYR A 15 10.418 4.046 -0.371 1.00 20.53 C ATOM 274 CD1 TYR A 15 10.647 3.916 -1.735 1.00 22.15 C ATOM 275 CD2 TYR A 15 10.070 2.908 0.346 1.00 22.04 C ATOM 276 CE1 TYR A 15 10.533 2.691 -2.365 1.00 2.54 C ATOM 277 CE2 TYR A 15 9.955 1.679 -0.275 1.00 40.34 C ATOM 278 CZ TYR A 15 10.188 1.577 -1.631 1.00 20.32 C ATOM 279 OH TYR A 15 10.074 0.355 -2.254 1.00 14.33 O ATOM 0 H TYR A 15 10.719 7.625 -0.806 1.00 13.34 H new ATOM 0 HA TYR A 15 8.551 5.746 -0.410 1.00 33.35 H new ATOM 0 HB2 TYR A 15 11.448 5.884 -0.038 1.00 2.13 H new ATOM 0 HB3 TYR A 15 10.663 5.230 1.386 1.00 2.13 H new ATOM 0 HD1 TYR A 15 10.919 4.787 -2.313 1.00 22.15 H new ATOM 0 HD2 TYR A 15 9.886 2.985 1.407 1.00 22.04 H new ATOM 0 HE1 TYR A 15 10.713 2.607 -3.427 1.00 2.54 H new ATOM 0 HE2 TYR A 15 9.684 0.804 0.297 1.00 40.34 H new ATOM 0 HH TYR A 15 9.825 -0.326 -1.595 1.00 14.33 H new ATOM 289 N THR A 16 7.913 6.071 2.021 1.00 62.34 N ATOM 290 CA THR A 16 7.331 6.453 3.300 1.00 24.14 C ATOM 291 C THR A 16 6.398 5.368 3.826 1.00 14.55 C ATOM 292 O THR A 16 6.223 4.325 3.194 1.00 44.41 O ATOM 293 CB THR A 16 6.550 7.776 3.189 1.00 25.24 C ATOM 294 OG1 THR A 16 6.150 8.220 4.491 1.00 35.12 O ATOM 295 CG2 THR A 16 5.323 7.607 2.305 1.00 5.41 C ATOM 0 H THR A 16 7.566 5.188 1.647 1.00 62.34 H new ATOM 0 HA THR A 16 8.159 6.585 3.997 1.00 24.14 H new ATOM 0 HB THR A 16 7.204 8.522 2.737 1.00 25.24 H new ATOM 0 HG1 THR A 16 5.656 9.062 4.412 1.00 35.12 H new ATOM 0 HG21 THR A 16 4.787 8.554 2.241 1.00 5.41 H new ATOM 0 HG22 THR A 16 5.633 7.298 1.307 1.00 5.41 H new ATOM 0 HG23 THR A 16 4.668 6.848 2.733 1.00 5.41 H new ATOM 303 N LEU A 17 5.799 5.619 4.984 1.00 13.24 N ATOM 304 CA LEU A 17 4.881 4.664 5.595 1.00 12.11 C ATOM 305 C LEU A 17 3.593 5.350 6.037 1.00 52.53 C ATOM 306 O LEU A 17 2.713 4.724 6.628 1.00 53.31 O ATOM 307 CB LEU A 17 5.546 3.982 6.792 1.00 1.14 C ATOM 308 CG LEU A 17 6.564 2.890 6.464 1.00 42.52 C ATOM 309 CD1 LEU A 17 7.676 2.868 7.501 1.00 23.53 C ATOM 310 CD2 LEU A 17 5.881 1.532 6.382 1.00 40.23 C ATOM 0 H LEU A 17 5.932 6.477 5.520 1.00 13.24 H new ATOM 0 HA LEU A 17 4.630 3.911 4.848 1.00 12.11 H new ATOM 0 HB2 LEU A 17 6.043 4.746 7.390 1.00 1.14 H new ATOM 0 HB3 LEU A 17 4.765 3.547 7.416 1.00 1.14 H new ATOM 0 HG LEU A 17 7.006 3.111 5.493 1.00 42.52 H new ATOM 0 HD11 LEU A 17 8.391 2.084 7.251 1.00 23.53 H new ATOM 0 HD12 LEU A 17 8.183 3.833 7.511 1.00 23.53 H new ATOM 0 HD13 LEU A 17 7.252 2.671 8.485 1.00 23.53 H new ATOM 0 HD21 LEU A 17 6.621 0.766 6.148 1.00 40.23 H new ATOM 0 HD22 LEU A 17 5.412 1.302 7.339 1.00 40.23 H new ATOM 0 HD23 LEU A 17 5.121 1.554 5.601 1.00 40.23 H new ATOM 322 N LYS A 18 3.487 6.642 5.743 1.00 10.43 N ATOM 323 CA LYS A 18 2.305 7.416 6.106 1.00 34.41 C ATOM 324 C LYS A 18 1.211 7.261 5.055 1.00 12.32 C ATOM 325 O LYS A 18 0.148 7.873 5.158 1.00 11.01 O ATOM 326 CB LYS A 18 2.668 8.893 6.267 1.00 13.15 C ATOM 327 CG LYS A 18 3.505 9.183 7.502 1.00 53.10 C ATOM 328 CD LYS A 18 2.654 9.726 8.638 1.00 74.33 C ATOM 329 CE LYS A 18 3.301 9.469 9.990 1.00 61.24 C ATOM 330 NZ LYS A 18 2.502 10.047 11.107 1.00 52.34 N ATOM 0 H LYS A 18 4.206 7.175 5.254 1.00 10.43 H new ATOM 0 HA LYS A 18 1.928 7.036 7.056 1.00 34.41 H new ATOM 0 HB2 LYS A 18 3.214 9.223 5.383 1.00 13.15 H new ATOM 0 HB3 LYS A 18 1.751 9.481 6.313 1.00 13.15 H new ATOM 0 HG2 LYS A 18 4.006 8.271 7.826 1.00 53.10 H new ATOM 0 HG3 LYS A 18 4.284 9.903 7.253 1.00 53.10 H new ATOM 0 HD2 LYS A 18 2.505 10.797 8.502 1.00 74.33 H new ATOM 0 HD3 LYS A 18 1.669 9.261 8.611 1.00 74.33 H new ATOM 0 HE2 LYS A 18 3.412 8.395 10.141 1.00 61.24 H new ATOM 0 HE3 LYS A 18 4.303 9.898 10.000 1.00 61.24 H new ATOM 0 HZ1 LYS A 18 2.977 9.850 12.011 1.00 52.34 H new ATOM 0 HZ2 LYS A 18 2.417 11.075 10.977 1.00 52.34 H new ATOM 0 HZ3 LYS A 18 1.554 9.619 11.113 1.00 52.34 H new ATOM 344 N GLU A 19 1.478 6.440 4.044 1.00 34.31 N ATOM 345 CA GLU A 19 0.514 6.206 2.975 1.00 72.01 C ATOM 346 C GLU A 19 0.189 7.505 2.243 1.00 74.23 C ATOM 347 O GLU A 19 -0.773 7.573 1.477 1.00 62.22 O ATOM 348 CB GLU A 19 -0.768 5.592 3.540 1.00 34.51 C ATOM 349 CG GLU A 19 -0.552 4.248 4.218 1.00 52.35 C ATOM 350 CD GLU A 19 -1.435 3.157 3.644 1.00 72.23 C ATOM 351 OE1 GLU A 19 -1.433 2.982 2.407 1.00 43.51 O ATOM 352 OE2 GLU A 19 -2.127 2.477 4.431 1.00 64.42 O ATOM 0 H GLU A 19 2.353 5.926 3.943 1.00 34.31 H new ATOM 0 HA GLU A 19 0.959 5.510 2.264 1.00 72.01 H new ATOM 0 HB2 GLU A 19 -1.207 6.285 4.258 1.00 34.51 H new ATOM 0 HB3 GLU A 19 -1.489 5.470 2.732 1.00 34.51 H new ATOM 0 HG2 GLU A 19 0.493 3.957 4.114 1.00 52.35 H new ATOM 0 HG3 GLU A 19 -0.751 4.347 5.285 1.00 52.35 H new ATOM 359 N ILE A 20 0.997 8.531 2.484 1.00 51.43 N ATOM 360 CA ILE A 20 0.796 9.827 1.847 1.00 53.40 C ATOM 361 C ILE A 20 2.129 10.491 1.520 1.00 53.42 C ATOM 362 O ILE A 20 3.104 10.345 2.258 1.00 60.14 O ATOM 363 CB ILE A 20 -0.030 10.771 2.740 1.00 74.40 C ATOM 364 CG1 ILE A 20 -1.375 10.130 3.091 1.00 62.42 C ATOM 365 CG2 ILE A 20 -0.240 12.108 2.045 1.00 34.21 C ATOM 366 CD1 ILE A 20 -2.304 9.988 1.906 1.00 33.32 C ATOM 0 H ILE A 20 1.797 8.491 3.116 1.00 51.43 H new ATOM 0 HA ILE A 20 0.248 9.643 0.923 1.00 53.40 H new ATOM 0 HB ILE A 20 0.520 10.946 3.665 1.00 74.40 H new ATOM 0 HG12 ILE A 20 -1.197 9.145 3.523 1.00 62.42 H new ATOM 0 HG13 ILE A 20 -1.866 10.730 3.857 1.00 62.42 H new ATOM 0 HG21 ILE A 20 -0.826 12.765 2.689 1.00 34.21 H new ATOM 0 HG22 ILE A 20 0.727 12.568 1.841 1.00 34.21 H new ATOM 0 HG23 ILE A 20 -0.772 11.951 1.107 1.00 34.21 H new ATOM 0 HD11 ILE A 20 -3.237 9.527 2.229 1.00 33.32 H new ATOM 0 HD12 ILE A 20 -2.512 10.972 1.487 1.00 33.32 H new ATOM 0 HD13 ILE A 20 -1.833 9.363 1.148 1.00 33.32 H new ATOM 378 N CYS A 21 2.163 11.223 0.412 1.00 11.13 N ATOM 379 CA CYS A 21 3.376 11.912 -0.013 1.00 3.42 C ATOM 380 C CYS A 21 3.433 13.321 0.569 1.00 14.42 C ATOM 381 O CYS A 21 2.628 14.191 0.233 1.00 52.15 O ATOM 382 CB CYS A 21 3.444 11.974 -1.539 1.00 63.35 C ATOM 383 SG CYS A 21 4.891 12.851 -2.178 1.00 31.42 S ATOM 0 H CYS A 21 1.364 11.355 -0.208 1.00 11.13 H new ATOM 0 HA CYS A 21 4.233 11.350 0.359 1.00 3.42 H new ATOM 0 HB2 CYS A 21 3.445 10.958 -1.934 1.00 63.35 H new ATOM 0 HB3 CYS A 21 2.543 12.461 -1.913 1.00 63.35 H new ATOM 388 N PRO A 22 4.405 13.554 1.463 1.00 71.43 N ATOM 389 CA PRO A 22 4.589 14.855 2.111 1.00 2.44 C ATOM 390 C PRO A 22 5.092 15.920 1.142 1.00 54.35 C ATOM 391 O PRO A 22 5.156 17.102 1.479 1.00 40.30 O ATOM 392 CB PRO A 22 5.642 14.572 3.185 1.00 20.11 C ATOM 393 CG PRO A 22 6.395 13.392 2.675 1.00 14.14 C ATOM 394 CD PRO A 22 5.399 12.564 1.910 1.00 3.20 C ATOM 0 HA PRO A 22 3.652 15.248 2.506 1.00 2.44 H new ATOM 0 HB2 PRO A 22 6.300 15.429 3.330 1.00 20.11 H new ATOM 0 HB3 PRO A 22 5.178 14.360 4.148 1.00 20.11 H new ATOM 0 HG2 PRO A 22 7.219 13.703 2.033 1.00 14.14 H new ATOM 0 HG3 PRO A 22 6.828 12.821 3.496 1.00 14.14 H new ATOM 0 HD2 PRO A 22 5.864 12.053 1.067 1.00 3.20 H new ATOM 0 HD3 PRO A 22 4.947 11.796 2.538 1.00 3.20 H new ATOM 402 N LYS A 23 5.447 15.494 -0.066 1.00 73.24 N ATOM 403 CA LYS A 23 5.942 16.410 -1.087 1.00 64.33 C ATOM 404 C LYS A 23 4.788 17.126 -1.781 1.00 4.41 C ATOM 405 O LYS A 23 4.695 18.354 -1.743 1.00 33.21 O ATOM 406 CB LYS A 23 6.780 15.651 -2.118 1.00 63.35 C ATOM 407 CG LYS A 23 8.078 16.353 -2.482 1.00 71.23 C ATOM 408 CD LYS A 23 8.987 16.505 -1.274 1.00 33.21 C ATOM 409 CE LYS A 23 10.453 16.383 -1.661 1.00 32.01 C ATOM 410 NZ LYS A 23 11.211 17.628 -1.359 1.00 21.32 N ATOM 0 H LYS A 23 5.401 14.519 -0.362 1.00 73.24 H new ATOM 0 HA LYS A 23 6.568 17.157 -0.598 1.00 64.33 H new ATOM 0 HB2 LYS A 23 7.010 14.659 -1.728 1.00 63.35 H new ATOM 0 HB3 LYS A 23 6.188 15.509 -3.022 1.00 63.35 H new ATOM 0 HG2 LYS A 23 8.594 15.787 -3.258 1.00 71.23 H new ATOM 0 HG3 LYS A 23 7.857 17.336 -2.898 1.00 71.23 H new ATOM 0 HD2 LYS A 23 8.813 17.474 -0.806 1.00 33.21 H new ATOM 0 HD3 LYS A 23 8.740 15.744 -0.534 1.00 33.21 H new ATOM 0 HE2 LYS A 23 10.901 15.546 -1.126 1.00 32.01 H new ATOM 0 HE3 LYS A 23 10.530 16.160 -2.725 1.00 32.01 H new ATOM 0 HZ1 LYS A 23 12.206 17.505 -1.637 1.00 21.32 H new ATOM 0 HZ2 LYS A 23 10.799 18.422 -1.889 1.00 21.32 H new ATOM 0 HZ3 LYS A 23 11.159 17.828 -0.340 1.00 21.32 H new ATOM 424 N CYS A 24 3.913 16.353 -2.413 1.00 33.03 N ATOM 425 CA CYS A 24 2.765 16.914 -3.115 1.00 55.44 C ATOM 426 C CYS A 24 1.496 16.780 -2.279 1.00 73.53 C ATOM 427 O CYS A 24 0.675 17.694 -2.226 1.00 30.42 O ATOM 428 CB CYS A 24 2.577 16.220 -4.465 1.00 14.21 C ATOM 429 SG CYS A 24 2.383 14.426 -4.352 1.00 23.51 S ATOM 0 H CYS A 24 3.976 15.336 -2.454 1.00 33.03 H new ATOM 0 HA CYS A 24 2.956 17.974 -3.283 1.00 55.44 H new ATOM 0 HB2 CYS A 24 1.700 16.639 -4.958 1.00 14.21 H new ATOM 0 HB3 CYS A 24 3.436 16.443 -5.099 1.00 14.21 H new ATOM 434 N GLY A 25 1.342 15.629 -1.629 1.00 13.50 N ATOM 435 CA GLY A 25 0.170 15.395 -0.805 1.00 74.44 C ATOM 436 C GLY A 25 -0.804 14.428 -1.447 1.00 34.42 C ATOM 437 O GLY A 25 -1.992 14.725 -1.571 1.00 42.22 O ATOM 0 H GLY A 25 2.007 14.856 -1.659 1.00 13.50 H new ATOM 0 HA2 GLY A 25 0.482 15.003 0.163 1.00 74.44 H new ATOM 0 HA3 GLY A 25 -0.334 16.343 -0.617 1.00 74.44 H new ATOM 441 N GLU A 26 -0.301 13.266 -1.856 1.00 53.52 N ATOM 442 CA GLU A 26 -1.137 12.254 -2.491 1.00 2.22 C ATOM 443 C GLU A 26 -0.887 10.879 -1.876 1.00 51.21 C ATOM 444 O GLU A 26 0.208 10.592 -1.394 1.00 11.12 O ATOM 445 CB GLU A 26 -0.868 12.209 -3.997 1.00 23.14 C ATOM 446 CG GLU A 26 0.482 11.611 -4.355 1.00 72.45 C ATOM 447 CD GLU A 26 0.455 10.096 -4.401 1.00 32.30 C ATOM 448 OE1 GLU A 26 -0.230 9.541 -5.287 1.00 50.02 O ATOM 449 OE2 GLU A 26 1.116 9.464 -3.552 1.00 24.50 O ATOM 0 H GLU A 26 0.680 13.003 -1.759 1.00 53.52 H new ATOM 0 HA GLU A 26 -2.180 12.524 -2.324 1.00 2.22 H new ATOM 0 HB2 GLU A 26 -1.653 11.628 -4.481 1.00 23.14 H new ATOM 0 HB3 GLU A 26 -0.926 13.221 -4.399 1.00 23.14 H new ATOM 0 HG2 GLU A 26 0.799 11.995 -5.325 1.00 72.45 H new ATOM 0 HG3 GLU A 26 1.224 11.935 -3.625 1.00 72.45 H new ATOM 456 N LYS A 27 -1.912 10.034 -1.898 1.00 72.54 N ATOM 457 CA LYS A 27 -1.805 8.688 -1.345 1.00 14.42 C ATOM 458 C LYS A 27 -0.721 7.890 -2.061 1.00 61.23 C ATOM 459 O LYS A 27 -0.770 7.709 -3.278 1.00 73.33 O ATOM 460 CB LYS A 27 -3.147 7.961 -1.458 1.00 3.55 C ATOM 461 CG LYS A 27 -3.071 6.486 -1.104 1.00 21.44 C ATOM 462 CD LYS A 27 -4.393 5.975 -0.554 1.00 50.02 C ATOM 463 CE LYS A 27 -5.388 5.695 -1.669 1.00 53.54 C ATOM 464 NZ LYS A 27 -4.988 4.515 -2.486 1.00 14.23 N ATOM 0 H LYS A 27 -2.826 10.257 -2.292 1.00 72.54 H new ATOM 0 HA LYS A 27 -1.532 8.775 -0.293 1.00 14.42 H new ATOM 0 HB2 LYS A 27 -3.870 8.447 -0.803 1.00 3.55 H new ATOM 0 HB3 LYS A 27 -3.521 8.063 -2.477 1.00 3.55 H new ATOM 0 HG2 LYS A 27 -2.798 5.912 -1.990 1.00 21.44 H new ATOM 0 HG3 LYS A 27 -2.284 6.328 -0.367 1.00 21.44 H new ATOM 0 HD2 LYS A 27 -4.222 5.064 0.020 1.00 50.02 H new ATOM 0 HD3 LYS A 27 -4.812 6.711 0.133 1.00 50.02 H new ATOM 0 HE2 LYS A 27 -6.375 5.522 -1.240 1.00 53.54 H new ATOM 0 HE3 LYS A 27 -5.469 6.571 -2.312 1.00 53.54 H new ATOM 0 HZ1 LYS A 27 -5.813 4.159 -3.010 1.00 14.23 H new ATOM 0 HZ2 LYS A 27 -4.245 4.794 -3.158 1.00 14.23 H new ATOM 0 HZ3 LYS A 27 -4.626 3.767 -1.861 1.00 14.23 H new ATOM 478 N THR A 28 0.258 7.412 -1.299 1.00 11.25 N ATOM 479 CA THR A 28 1.354 6.632 -1.860 1.00 43.51 C ATOM 480 C THR A 28 0.894 5.228 -2.234 1.00 43.21 C ATOM 481 O THR A 28 -0.167 4.777 -1.804 1.00 73.52 O ATOM 482 CB THR A 28 2.533 6.529 -0.875 1.00 1.24 C ATOM 483 OG1 THR A 28 2.042 6.367 0.461 1.00 74.31 O ATOM 484 CG2 THR A 28 3.411 7.770 -0.949 1.00 1.00 C ATOM 0 H THR A 28 0.314 7.552 -0.290 1.00 11.25 H new ATOM 0 HA THR A 28 1.686 7.154 -2.758 1.00 43.51 H new ATOM 0 HB THR A 28 3.133 5.661 -1.151 1.00 1.24 H new ATOM 0 HG1 THR A 28 2.742 6.616 1.099 1.00 74.31 H new ATOM 0 HG21 THR A 28 4.237 7.674 -0.244 1.00 1.00 H new ATOM 0 HG22 THR A 28 3.806 7.876 -1.959 1.00 1.00 H new ATOM 0 HG23 THR A 28 2.819 8.650 -0.697 1.00 1.00 H new ATOM 492 N VAL A 29 1.700 4.542 -3.038 1.00 31.51 N ATOM 493 CA VAL A 29 1.377 3.186 -3.468 1.00 53.21 C ATOM 494 C VAL A 29 2.598 2.277 -3.387 1.00 41.22 C ATOM 495 O VAL A 29 3.736 2.744 -3.453 1.00 71.13 O ATOM 496 CB VAL A 29 0.833 3.169 -4.909 1.00 11.42 C ATOM 497 CG1 VAL A 29 -0.340 4.128 -5.048 1.00 2.34 C ATOM 498 CG2 VAL A 29 1.934 3.516 -5.898 1.00 25.22 C ATOM 0 H VAL A 29 2.581 4.902 -3.405 1.00 31.51 H new ATOM 0 HA VAL A 29 0.607 2.815 -2.792 1.00 53.21 H new ATOM 0 HB VAL A 29 0.478 2.163 -5.133 1.00 11.42 H new ATOM 0 HG11 VAL A 29 -0.711 4.103 -6.073 1.00 2.34 H new ATOM 0 HG12 VAL A 29 -1.136 3.830 -4.366 1.00 2.34 H new ATOM 0 HG13 VAL A 29 -0.014 5.139 -4.805 1.00 2.34 H new ATOM 0 HG21 VAL A 29 1.532 3.499 -6.911 1.00 25.22 H new ATOM 0 HG22 VAL A 29 2.321 4.511 -5.678 1.00 25.22 H new ATOM 0 HG23 VAL A 29 2.740 2.787 -5.816 1.00 25.22 H new ATOM 508 N ILE A 30 2.354 0.979 -3.245 1.00 23.41 N ATOM 509 CA ILE A 30 3.435 0.005 -3.157 1.00 0.50 C ATOM 510 C ILE A 30 4.213 -0.073 -4.467 1.00 3.05 C ATOM 511 O ILE A 30 3.699 -0.508 -5.497 1.00 42.30 O ATOM 512 CB ILE A 30 2.902 -1.396 -2.805 1.00 70.52 C ATOM 513 CG1 ILE A 30 1.939 -1.317 -1.620 1.00 12.51 C ATOM 514 CG2 ILE A 30 4.056 -2.339 -2.495 1.00 3.43 C ATOM 515 CD1 ILE A 30 2.544 -0.679 -0.390 1.00 22.45 C ATOM 0 H ILE A 30 1.418 0.577 -3.188 1.00 23.41 H new ATOM 0 HA ILE A 30 4.100 0.342 -2.362 1.00 0.50 H new ATOM 0 HB ILE A 30 2.358 -1.788 -3.665 1.00 70.52 H new ATOM 0 HG12 ILE A 30 1.057 -0.750 -1.917 1.00 12.51 H new ATOM 0 HG13 ILE A 30 1.602 -2.323 -1.369 1.00 12.51 H new ATOM 0 HG21 ILE A 30 3.664 -3.325 -2.248 1.00 3.43 H new ATOM 0 HG22 ILE A 30 4.707 -2.415 -3.366 1.00 3.43 H new ATOM 0 HG23 ILE A 30 4.625 -1.952 -1.649 1.00 3.43 H new ATOM 0 HD11 ILE A 30 1.804 -0.657 0.410 1.00 22.45 H new ATOM 0 HD12 ILE A 30 3.409 -1.258 -0.068 1.00 22.45 H new ATOM 0 HD13 ILE A 30 2.856 0.339 -0.624 1.00 22.45 H new ATOM 527 N PRO A 31 5.483 0.357 -4.427 1.00 72.22 N ATOM 528 CA PRO A 31 6.360 0.343 -5.601 1.00 2.42 C ATOM 529 C PRO A 31 6.749 -1.071 -6.019 1.00 13.43 C ATOM 530 O PRO A 31 6.640 -1.436 -7.190 1.00 42.30 O ATOM 531 CB PRO A 31 7.593 1.120 -5.132 1.00 54.21 C ATOM 532 CG PRO A 31 7.604 0.956 -3.652 1.00 14.32 C ATOM 533 CD PRO A 31 6.161 0.888 -3.233 1.00 30.43 C ATOM 0 HA PRO A 31 5.875 0.774 -6.477 1.00 2.42 H new ATOM 0 HB2 PRO A 31 8.504 0.725 -5.581 1.00 54.21 H new ATOM 0 HB3 PRO A 31 7.529 2.171 -5.413 1.00 54.21 H new ATOM 0 HG2 PRO A 31 8.137 0.050 -3.364 1.00 14.32 H new ATOM 0 HG3 PRO A 31 8.111 1.792 -3.170 1.00 14.32 H new ATOM 0 HD2 PRO A 31 6.024 0.237 -2.370 1.00 30.43 H new ATOM 0 HD3 PRO A 31 5.776 1.870 -2.956 1.00 30.43 H new ATOM 541 N LYS A 32 7.201 -1.864 -5.054 1.00 32.21 N ATOM 542 CA LYS A 32 7.605 -3.240 -5.321 1.00 1.44 C ATOM 543 C LYS A 32 6.883 -4.209 -4.388 1.00 51.24 C ATOM 544 O LYS A 32 6.374 -3.830 -3.334 1.00 63.33 O ATOM 545 CB LYS A 32 9.118 -3.390 -5.156 1.00 20.42 C ATOM 546 CG LYS A 32 9.896 -3.156 -6.440 1.00 30.24 C ATOM 547 CD LYS A 32 11.080 -2.231 -6.214 1.00 10.03 C ATOM 548 CE LYS A 32 12.055 -2.810 -5.202 1.00 24.43 C ATOM 549 NZ LYS A 32 13.374 -2.119 -5.244 1.00 72.24 N ATOM 0 H LYS A 32 7.297 -1.578 -4.080 1.00 32.21 H new ATOM 0 HA LYS A 32 7.332 -3.480 -6.349 1.00 1.44 H new ATOM 0 HB2 LYS A 32 9.464 -2.687 -4.398 1.00 20.42 H new ATOM 0 HB3 LYS A 32 9.337 -4.391 -4.786 1.00 20.42 H new ATOM 0 HG2 LYS A 32 10.248 -4.110 -6.832 1.00 30.24 H new ATOM 0 HG3 LYS A 32 9.236 -2.726 -7.193 1.00 30.24 H new ATOM 0 HD2 LYS A 32 11.595 -2.060 -7.159 1.00 10.03 H new ATOM 0 HD3 LYS A 32 10.724 -1.262 -5.864 1.00 10.03 H new ATOM 0 HE2 LYS A 32 11.632 -2.725 -4.201 1.00 24.43 H new ATOM 0 HE3 LYS A 32 12.195 -3.873 -5.400 1.00 24.43 H new ATOM 0 HZ1 LYS A 32 14.011 -2.543 -4.539 1.00 72.24 H new ATOM 0 HZ2 LYS A 32 13.789 -2.221 -6.192 1.00 72.24 H new ATOM 0 HZ3 LYS A 32 13.244 -1.110 -5.030 1.00 72.24 H new ATOM 563 N PRO A 33 6.837 -5.489 -4.785 1.00 54.51 N ATOM 564 CA PRO A 33 6.182 -6.539 -3.999 1.00 11.54 C ATOM 565 C PRO A 33 6.940 -6.860 -2.716 1.00 51.13 C ATOM 566 O PRO A 33 8.084 -6.448 -2.523 1.00 71.41 O ATOM 567 CB PRO A 33 6.189 -7.744 -4.942 1.00 32.32 C ATOM 568 CG PRO A 33 7.338 -7.502 -5.858 1.00 72.22 C ATOM 569 CD PRO A 33 7.422 -6.012 -6.032 1.00 24.02 C ATOM 0 HA PRO A 33 5.185 -6.243 -3.672 1.00 11.54 H new ATOM 0 HB2 PRO A 33 6.311 -8.677 -4.391 1.00 32.32 H new ATOM 0 HB3 PRO A 33 5.252 -7.820 -5.494 1.00 32.32 H new ATOM 0 HG2 PRO A 33 8.262 -7.898 -5.438 1.00 72.22 H new ATOM 0 HG3 PRO A 33 7.185 -7.999 -6.816 1.00 72.22 H new ATOM 0 HD2 PRO A 33 8.452 -5.680 -6.163 1.00 24.02 H new ATOM 0 HD3 PRO A 33 6.866 -5.678 -6.908 1.00 24.02 H new ATOM 577 N PRO A 34 6.291 -7.615 -1.817 1.00 72.35 N ATOM 578 CA PRO A 34 6.887 -8.010 -0.538 1.00 34.23 C ATOM 579 C PRO A 34 8.018 -9.017 -0.711 1.00 44.12 C ATOM 580 O PRO A 34 9.051 -8.926 -0.047 1.00 3.22 O ATOM 581 CB PRO A 34 5.716 -8.645 0.218 1.00 73.45 C ATOM 582 CG PRO A 34 4.792 -9.122 -0.850 1.00 3.04 C ATOM 583 CD PRO A 34 4.926 -8.141 -1.981 1.00 74.13 C ATOM 0 HA PRO A 34 7.338 -7.163 -0.020 1.00 34.23 H new ATOM 0 HB2 PRO A 34 6.051 -9.468 0.849 1.00 73.45 H new ATOM 0 HB3 PRO A 34 5.227 -7.922 0.871 1.00 73.45 H new ATOM 0 HG2 PRO A 34 5.056 -10.129 -1.173 1.00 3.04 H new ATOM 0 HG3 PRO A 34 3.765 -9.162 -0.488 1.00 3.04 H new ATOM 0 HD2 PRO A 34 4.795 -8.624 -2.949 1.00 74.13 H new ATOM 0 HD3 PRO A 34 4.180 -7.349 -1.916 1.00 74.13 H new ATOM 591 N LYS A 35 7.818 -9.977 -1.607 1.00 41.02 N ATOM 592 CA LYS A 35 8.822 -11.001 -1.871 1.00 5.14 C ATOM 593 C LYS A 35 8.750 -11.475 -3.318 1.00 52.25 C ATOM 594 O LYS A 35 7.687 -11.448 -3.937 1.00 54.33 O ATOM 595 CB LYS A 35 8.630 -12.187 -0.924 1.00 22.00 C ATOM 596 CG LYS A 35 9.933 -12.845 -0.501 1.00 2.23 C ATOM 597 CD LYS A 35 10.196 -14.118 -1.287 1.00 14.25 C ATOM 598 CE LYS A 35 11.686 -14.376 -1.450 1.00 1.33 C ATOM 599 NZ LYS A 35 12.305 -14.866 -0.189 1.00 21.24 N ATOM 0 H LYS A 35 6.968 -10.068 -2.164 1.00 41.02 H new ATOM 0 HA LYS A 35 9.805 -10.563 -1.701 1.00 5.14 H new ATOM 0 HB2 LYS A 35 8.098 -11.849 -0.035 1.00 22.00 H new ATOM 0 HB3 LYS A 35 7.998 -12.931 -1.410 1.00 22.00 H new ATOM 0 HG2 LYS A 35 10.758 -12.148 -0.649 1.00 2.23 H new ATOM 0 HG3 LYS A 35 9.897 -13.075 0.564 1.00 2.23 H new ATOM 0 HD2 LYS A 35 9.733 -14.963 -0.778 1.00 14.25 H new ATOM 0 HD3 LYS A 35 9.729 -14.043 -2.269 1.00 14.25 H new ATOM 0 HE2 LYS A 35 11.843 -15.110 -2.241 1.00 1.33 H new ATOM 0 HE3 LYS A 35 12.181 -13.457 -1.765 1.00 1.33 H new ATOM 0 HZ1 LYS A 35 13.321 -15.030 -0.342 1.00 21.24 H new ATOM 0 HZ2 LYS A 35 12.178 -14.155 0.559 1.00 21.24 H new ATOM 0 HZ3 LYS A 35 11.850 -15.756 0.098 1.00 21.24 H new ATOM 613 N PHE A 36 9.888 -11.909 -3.852 1.00 33.15 N ATOM 614 CA PHE A 36 9.952 -12.390 -5.226 1.00 13.12 C ATOM 615 C PHE A 36 8.947 -13.515 -5.457 1.00 52.02 C ATOM 616 O PHE A 36 7.926 -13.324 -6.118 1.00 45.44 O ATOM 617 CB PHE A 36 11.365 -12.879 -5.552 1.00 53.14 C ATOM 618 CG PHE A 36 12.413 -11.810 -5.425 1.00 15.01 C ATOM 619 CD1 PHE A 36 12.614 -10.894 -6.445 1.00 2.05 C ATOM 620 CD2 PHE A 36 13.197 -11.722 -4.287 1.00 62.42 C ATOM 621 CE1 PHE A 36 13.577 -9.909 -6.332 1.00 23.03 C ATOM 622 CE2 PHE A 36 14.162 -10.740 -4.167 1.00 51.40 C ATOM 623 CZ PHE A 36 14.353 -9.832 -5.191 1.00 75.52 C ATOM 0 H PHE A 36 10.777 -11.937 -3.353 1.00 33.15 H new ATOM 0 HA PHE A 36 9.700 -11.560 -5.887 1.00 13.12 H new ATOM 0 HB2 PHE A 36 11.617 -13.705 -4.887 1.00 53.14 H new ATOM 0 HB3 PHE A 36 11.379 -13.272 -6.569 1.00 53.14 H new ATOM 0 HD1 PHE A 36 12.011 -10.950 -7.339 1.00 2.05 H new ATOM 0 HD2 PHE A 36 13.053 -12.429 -3.484 1.00 62.42 H new ATOM 0 HE1 PHE A 36 13.723 -9.201 -7.134 1.00 23.03 H new ATOM 0 HE2 PHE A 36 14.766 -10.682 -3.274 1.00 51.40 H new ATOM 0 HZ PHE A 36 15.107 -9.064 -5.100 1.00 75.52 H new ATOM 633 N SER A 37 9.244 -14.689 -4.909 1.00 4.12 N ATOM 634 CA SER A 37 8.370 -15.846 -5.058 1.00 30.13 C ATOM 635 C SER A 37 8.214 -16.223 -6.528 1.00 42.30 C ATOM 636 O SER A 37 7.119 -16.560 -6.981 1.00 72.42 O ATOM 637 CB SER A 37 6.998 -15.558 -4.444 1.00 42.23 C ATOM 638 OG SER A 37 7.109 -14.681 -3.336 1.00 41.24 O ATOM 0 H SER A 37 10.084 -14.864 -4.357 1.00 4.12 H new ATOM 0 HA SER A 37 8.826 -16.685 -4.532 1.00 30.13 H new ATOM 0 HB2 SER A 37 6.345 -15.117 -5.197 1.00 42.23 H new ATOM 0 HB3 SER A 37 6.534 -16.492 -4.127 1.00 42.23 H new ATOM 0 HG SER A 37 6.219 -14.511 -2.963 1.00 41.24 H new ATOM 644 N LEU A 38 9.315 -16.162 -7.268 1.00 4.44 N ATOM 645 CA LEU A 38 9.302 -16.496 -8.688 1.00 30.30 C ATOM 646 C LEU A 38 9.364 -18.006 -8.892 1.00 60.21 C ATOM 647 O LEU A 38 8.907 -18.522 -9.910 1.00 73.43 O ATOM 648 CB LEU A 38 10.479 -15.826 -9.400 1.00 14.34 C ATOM 649 CG LEU A 38 10.210 -14.433 -9.973 1.00 20.02 C ATOM 650 CD1 LEU A 38 9.234 -14.514 -11.137 1.00 5.34 C ATOM 651 CD2 LEU A 38 9.679 -13.505 -8.891 1.00 2.25 C ATOM 0 H LEU A 38 10.228 -15.884 -6.909 1.00 4.44 H new ATOM 0 HA LEU A 38 8.369 -16.128 -9.114 1.00 30.30 H new ATOM 0 HB2 LEU A 38 11.310 -15.754 -8.698 1.00 14.34 H new ATOM 0 HB3 LEU A 38 10.804 -16.475 -10.213 1.00 14.34 H new ATOM 0 HG LEU A 38 11.151 -14.025 -10.343 1.00 20.02 H new ATOM 0 HD11 LEU A 38 9.055 -13.514 -11.532 1.00 5.34 H new ATOM 0 HD12 LEU A 38 9.654 -15.144 -11.921 1.00 5.34 H new ATOM 0 HD13 LEU A 38 8.293 -14.943 -10.793 1.00 5.34 H new ATOM 0 HD21 LEU A 38 9.493 -12.519 -9.316 1.00 2.25 H new ATOM 0 HD22 LEU A 38 8.749 -13.908 -8.490 1.00 2.25 H new ATOM 0 HD23 LEU A 38 10.414 -13.422 -8.090 1.00 2.25 H new ATOM 663 N GLU A 39 9.929 -18.708 -7.914 1.00 50.15 N ATOM 664 CA GLU A 39 10.048 -20.159 -7.987 1.00 65.31 C ATOM 665 C GLU A 39 8.985 -20.837 -7.129 1.00 3.14 C ATOM 666 O GLU A 39 8.611 -21.983 -7.373 1.00 63.43 O ATOM 667 CB GLU A 39 11.442 -20.602 -7.536 1.00 20.50 C ATOM 668 CG GLU A 39 11.846 -21.969 -8.061 1.00 52.15 C ATOM 669 CD GLU A 39 11.844 -22.035 -9.577 1.00 73.32 C ATOM 670 OE1 GLU A 39 12.623 -21.289 -10.204 1.00 41.42 O ATOM 671 OE2 GLU A 39 11.063 -22.834 -10.135 1.00 54.42 O ATOM 0 H GLU A 39 10.311 -18.295 -7.063 1.00 50.15 H new ATOM 0 HA GLU A 39 9.897 -20.458 -9.024 1.00 65.31 H new ATOM 0 HB2 GLU A 39 12.173 -19.864 -7.867 1.00 20.50 H new ATOM 0 HB3 GLU A 39 11.475 -20.616 -6.447 1.00 20.50 H new ATOM 0 HG2 GLU A 39 12.841 -22.217 -7.691 1.00 52.15 H new ATOM 0 HG3 GLU A 39 11.163 -22.722 -7.667 1.00 52.15 H new ATOM 678 N ASP A 40 8.502 -20.118 -6.121 1.00 33.44 N ATOM 679 CA ASP A 40 7.480 -20.648 -5.224 1.00 55.03 C ATOM 680 C ASP A 40 6.295 -21.196 -6.015 1.00 24.33 C ATOM 681 O ASP A 40 5.853 -20.589 -6.991 1.00 24.42 O ATOM 682 CB ASP A 40 7.006 -19.561 -4.258 1.00 73.54 C ATOM 683 CG ASP A 40 7.905 -19.434 -3.044 1.00 64.43 C ATOM 684 OD1 ASP A 40 7.943 -20.382 -2.233 1.00 23.54 O ATOM 685 OD2 ASP A 40 8.571 -18.386 -2.906 1.00 61.32 O ATOM 0 H ASP A 40 8.801 -19.167 -5.904 1.00 33.44 H new ATOM 0 HA ASP A 40 7.921 -21.464 -4.652 1.00 55.03 H new ATOM 0 HB2 ASP A 40 6.969 -18.605 -4.781 1.00 73.54 H new ATOM 0 HB3 ASP A 40 5.990 -19.786 -3.933 1.00 73.54 H new ATOM 690 N ARG A 41 5.786 -22.346 -5.586 1.00 22.21 N ATOM 691 CA ARG A 41 4.654 -22.977 -6.255 1.00 4.51 C ATOM 692 C ARG A 41 3.442 -22.052 -6.259 1.00 14.55 C ATOM 693 O ARG A 41 2.672 -22.024 -7.220 1.00 65.21 O ATOM 694 CB ARG A 41 4.300 -24.297 -5.568 1.00 74.12 C ATOM 695 CG ARG A 41 3.588 -25.284 -6.478 1.00 12.10 C ATOM 696 CD ARG A 41 2.087 -25.039 -6.499 1.00 34.24 C ATOM 697 NE ARG A 41 1.349 -26.198 -6.994 1.00 32.42 N ATOM 698 CZ ARG A 41 0.110 -26.133 -7.469 1.00 64.13 C ATOM 699 NH1 ARG A 41 -0.525 -24.971 -7.514 1.00 15.05 N ATOM 700 NH2 ARG A 41 -0.494 -27.232 -7.901 1.00 32.33 N ATOM 0 H ARG A 41 6.139 -22.860 -4.779 1.00 22.21 H new ATOM 0 HA ARG A 41 4.939 -23.178 -7.288 1.00 4.51 H new ATOM 0 HB2 ARG A 41 5.213 -24.757 -5.191 1.00 74.12 H new ATOM 0 HB3 ARG A 41 3.667 -24.090 -4.705 1.00 74.12 H new ATOM 0 HG2 ARG A 41 3.986 -25.200 -7.489 1.00 12.10 H new ATOM 0 HG3 ARG A 41 3.787 -26.301 -6.140 1.00 12.10 H new ATOM 0 HD2 ARG A 41 1.746 -24.795 -5.493 1.00 34.24 H new ATOM 0 HD3 ARG A 41 1.870 -24.176 -7.128 1.00 34.24 H new ATOM 0 HE ARG A 41 1.810 -27.108 -6.974 1.00 32.42 H new ATOM 0 HH11 ARG A 41 -0.063 -24.124 -7.184 1.00 15.05 H new ATOM 0 HH12 ARG A 41 -1.476 -24.923 -7.879 1.00 15.05 H new ATOM 0 HH21 ARG A 41 -0.007 -28.128 -7.869 1.00 32.33 H new ATOM 0 HH22 ARG A 41 -1.445 -27.181 -8.266 1.00 32.33 H new ATOM 714 N TRP A 42 3.275 -21.298 -5.178 1.00 4.13 N ATOM 715 CA TRP A 42 2.155 -20.371 -5.056 1.00 74.54 C ATOM 716 C TRP A 42 2.555 -18.971 -5.507 1.00 51.12 C ATOM 717 O TRP A 42 1.908 -17.986 -5.154 1.00 71.10 O ATOM 718 CB TRP A 42 1.653 -20.333 -3.612 1.00 51.53 C ATOM 719 CG TRP A 42 0.942 -21.584 -3.196 1.00 75.25 C ATOM 720 CD1 TRP A 42 1.197 -22.343 -2.090 1.00 62.45 C ATOM 721 CD2 TRP A 42 -0.141 -22.223 -3.883 1.00 23.44 C ATOM 722 NE1 TRP A 42 0.339 -23.415 -2.047 1.00 60.23 N ATOM 723 CE2 TRP A 42 -0.492 -23.364 -3.134 1.00 51.12 C ATOM 724 CE3 TRP A 42 -0.849 -21.941 -5.053 1.00 51.13 C ATOM 725 CZ2 TRP A 42 -1.519 -24.221 -3.523 1.00 31.04 C ATOM 726 CZ3 TRP A 42 -1.868 -22.793 -5.437 1.00 44.25 C ATOM 727 CH2 TRP A 42 -2.195 -23.920 -4.674 1.00 23.31 C ATOM 0 H TRP A 42 3.901 -21.310 -4.373 1.00 4.13 H new ATOM 0 HA TRP A 42 1.351 -20.724 -5.703 1.00 74.54 H new ATOM 0 HB2 TRP A 42 2.499 -20.166 -2.945 1.00 51.53 H new ATOM 0 HB3 TRP A 42 0.980 -19.484 -3.491 1.00 51.53 H new ATOM 0 HD1 TRP A 42 1.961 -22.132 -1.357 1.00 62.45 H new ATOM 0 HE1 TRP A 42 0.324 -24.133 -1.323 1.00 60.23 H new ATOM 0 HE3 TRP A 42 -0.605 -21.073 -5.647 1.00 51.13 H new ATOM 0 HZ2 TRP A 42 -1.773 -25.092 -2.937 1.00 31.04 H new ATOM 0 HZ3 TRP A 42 -2.421 -22.585 -6.341 1.00 44.25 H new ATOM 0 HH2 TRP A 42 -2.997 -24.565 -5.000 1.00 23.31 H new ATOM 738 N GLY A 43 3.626 -18.889 -6.290 1.00 44.11 N ATOM 739 CA GLY A 43 4.094 -17.603 -6.776 1.00 72.43 C ATOM 740 C GLY A 43 2.999 -16.811 -7.462 1.00 12.32 C ATOM 741 O GLY A 43 3.002 -15.580 -7.431 1.00 41.31 O ATOM 0 H GLY A 43 4.178 -19.690 -6.597 1.00 44.11 H new ATOM 0 HA2 GLY A 43 4.489 -17.024 -5.941 1.00 72.43 H new ATOM 0 HA3 GLY A 43 4.917 -17.759 -7.473 1.00 72.43 H new ATOM 745 N LYS A 44 2.060 -17.516 -8.083 1.00 11.13 N ATOM 746 CA LYS A 44 0.953 -16.870 -8.780 1.00 65.43 C ATOM 747 C LYS A 44 -0.207 -16.603 -7.828 1.00 10.33 C ATOM 748 O LYS A 44 -1.012 -15.698 -8.053 1.00 43.24 O ATOM 749 CB LYS A 44 0.480 -17.742 -9.945 1.00 72.02 C ATOM 750 CG LYS A 44 -0.288 -18.977 -9.508 1.00 14.43 C ATOM 751 CD LYS A 44 -0.620 -19.874 -10.689 1.00 15.25 C ATOM 752 CE LYS A 44 -1.060 -21.258 -10.232 1.00 45.33 C ATOM 753 NZ LYS A 44 -1.577 -22.077 -11.362 1.00 52.41 N ATOM 0 H LYS A 44 2.043 -18.535 -8.118 1.00 11.13 H new ATOM 0 HA LYS A 44 1.308 -15.915 -9.169 1.00 65.43 H new ATOM 0 HB2 LYS A 44 -0.153 -17.145 -10.601 1.00 72.02 H new ATOM 0 HB3 LYS A 44 1.345 -18.051 -10.531 1.00 72.02 H new ATOM 0 HG2 LYS A 44 0.302 -19.535 -8.781 1.00 14.43 H new ATOM 0 HG3 LYS A 44 -1.209 -18.676 -9.008 1.00 14.43 H new ATOM 0 HD2 LYS A 44 -1.412 -19.417 -11.283 1.00 15.25 H new ATOM 0 HD3 LYS A 44 0.253 -19.964 -11.336 1.00 15.25 H new ATOM 0 HE2 LYS A 44 -0.218 -21.771 -9.767 1.00 45.33 H new ATOM 0 HE3 LYS A 44 -1.834 -21.160 -9.471 1.00 45.33 H new ATOM 0 HZ1 LYS A 44 -1.866 -23.012 -11.009 1.00 52.41 H new ATOM 0 HZ2 LYS A 44 -2.396 -21.600 -11.790 1.00 52.41 H new ATOM 0 HZ3 LYS A 44 -0.831 -22.192 -12.077 1.00 52.41 H new ATOM 767 N TYR A 45 -0.288 -17.393 -6.763 1.00 62.20 N ATOM 768 CA TYR A 45 -1.350 -17.241 -5.777 1.00 31.32 C ATOM 769 C TYR A 45 -1.408 -15.809 -5.254 1.00 14.33 C ATOM 770 O TYR A 45 -2.465 -15.328 -4.844 1.00 63.12 O ATOM 771 CB TYR A 45 -1.139 -18.212 -4.615 1.00 30.45 C ATOM 772 CG TYR A 45 -2.330 -18.319 -3.690 1.00 2.15 C ATOM 773 CD1 TYR A 45 -2.596 -17.331 -2.749 1.00 25.31 C ATOM 774 CD2 TYR A 45 -3.191 -19.408 -3.757 1.00 3.50 C ATOM 775 CE1 TYR A 45 -3.682 -17.425 -1.902 1.00 32.05 C ATOM 776 CE2 TYR A 45 -4.282 -19.508 -2.914 1.00 51.21 C ATOM 777 CZ TYR A 45 -4.523 -18.515 -1.989 1.00 61.31 C ATOM 778 OH TYR A 45 -5.608 -18.611 -1.147 1.00 65.05 O ATOM 0 H TYR A 45 0.370 -18.146 -6.561 1.00 62.20 H new ATOM 0 HA TYR A 45 -2.298 -17.469 -6.264 1.00 31.32 H new ATOM 0 HB2 TYR A 45 -0.911 -19.200 -5.015 1.00 30.45 H new ATOM 0 HB3 TYR A 45 -0.270 -17.893 -4.039 1.00 30.45 H new ATOM 0 HD1 TYR A 45 -1.941 -16.475 -2.679 1.00 25.31 H new ATOM 0 HD2 TYR A 45 -3.005 -20.189 -4.479 1.00 3.50 H new ATOM 0 HE1 TYR A 45 -3.872 -16.649 -1.175 1.00 32.05 H new ATOM 0 HE2 TYR A 45 -4.942 -20.360 -2.980 1.00 51.21 H new ATOM 0 HH TYR A 45 -6.098 -19.438 -1.338 1.00 65.05 H new ATOM 788 N ARG A 46 -0.264 -15.133 -5.272 1.00 2.02 N ATOM 789 CA ARG A 46 -0.183 -13.756 -4.800 1.00 61.20 C ATOM 790 C ARG A 46 -1.130 -12.854 -5.586 1.00 13.10 C ATOM 791 O ARG A 46 -1.723 -11.928 -5.033 1.00 23.12 O ATOM 792 CB ARG A 46 1.251 -13.237 -4.921 1.00 44.40 C ATOM 793 CG ARG A 46 1.397 -11.765 -4.573 1.00 42.42 C ATOM 794 CD ARG A 46 2.807 -11.265 -4.846 1.00 4.52 C ATOM 795 NE ARG A 46 2.894 -9.808 -4.783 1.00 11.51 N ATOM 796 CZ ARG A 46 2.438 -9.003 -5.738 1.00 60.34 C ATOM 797 NH1 ARG A 46 1.867 -9.511 -6.821 1.00 61.32 N ATOM 798 NH2 ARG A 46 2.553 -7.688 -5.608 1.00 51.25 N ATOM 0 H ARG A 46 0.619 -15.516 -5.608 1.00 2.02 H new ATOM 0 HA ARG A 46 -0.481 -13.740 -3.752 1.00 61.20 H new ATOM 0 HB2 ARG A 46 1.897 -13.822 -4.266 1.00 44.40 H new ATOM 0 HB3 ARG A 46 1.602 -13.397 -5.941 1.00 44.40 H new ATOM 0 HG2 ARG A 46 0.684 -11.180 -5.154 1.00 42.42 H new ATOM 0 HG3 ARG A 46 1.153 -11.613 -3.522 1.00 42.42 H new ATOM 0 HD2 ARG A 46 3.493 -11.701 -4.119 1.00 4.52 H new ATOM 0 HD3 ARG A 46 3.128 -11.605 -5.831 1.00 4.52 H new ATOM 0 HE ARG A 46 3.328 -9.386 -3.962 1.00 11.51 H new ATOM 0 HH11 ARG A 46 1.777 -10.522 -6.923 1.00 61.32 H new ATOM 0 HH12 ARG A 46 1.518 -8.891 -7.552 1.00 61.32 H new ATOM 0 HH21 ARG A 46 2.991 -7.294 -4.775 1.00 51.25 H new ATOM 0 HH22 ARG A 46 2.203 -7.071 -6.341 1.00 51.25 H new ATOM 812 N ARG A 47 -1.266 -13.133 -6.878 1.00 54.54 N ATOM 813 CA ARG A 47 -2.140 -12.346 -7.741 1.00 34.11 C ATOM 814 C ARG A 47 -3.592 -12.451 -7.285 1.00 33.51 C ATOM 815 O ARG A 47 -4.365 -11.502 -7.417 1.00 61.12 O ATOM 816 CB ARG A 47 -2.015 -12.813 -9.192 1.00 72.04 C ATOM 817 CG ARG A 47 -0.908 -12.113 -9.964 1.00 62.11 C ATOM 818 CD ARG A 47 -1.127 -12.214 -11.466 1.00 22.31 C ATOM 819 NE ARG A 47 -0.271 -11.291 -12.206 1.00 33.21 N ATOM 820 CZ ARG A 47 -0.002 -11.417 -13.501 1.00 43.11 C ATOM 821 NH1 ARG A 47 -0.520 -12.421 -14.195 1.00 72.40 N ATOM 822 NH2 ARG A 47 0.786 -10.536 -14.105 1.00 35.13 N ATOM 0 H ARG A 47 -0.783 -13.897 -7.350 1.00 54.54 H new ATOM 0 HA ARG A 47 -1.831 -11.303 -7.675 1.00 34.11 H new ATOM 0 HB2 ARG A 47 -1.832 -13.887 -9.204 1.00 72.04 H new ATOM 0 HB3 ARG A 47 -2.964 -12.646 -9.702 1.00 72.04 H new ATOM 0 HG2 ARG A 47 -0.866 -11.064 -9.671 1.00 62.11 H new ATOM 0 HG3 ARG A 47 0.054 -12.555 -9.705 1.00 62.11 H new ATOM 0 HD2 ARG A 47 -0.929 -13.234 -11.794 1.00 22.31 H new ATOM 0 HD3 ARG A 47 -2.172 -12.003 -11.695 1.00 22.31 H new ATOM 0 HE ARG A 47 0.143 -10.507 -11.701 1.00 33.21 H new ATOM 0 HH11 ARG A 47 -1.127 -13.099 -13.735 1.00 72.40 H new ATOM 0 HH12 ARG A 47 -0.312 -12.515 -15.189 1.00 72.40 H new ATOM 0 HH21 ARG A 47 1.186 -9.762 -13.575 1.00 35.13 H new ATOM 0 HH22 ARG A 47 0.992 -10.633 -15.099 1.00 35.13 H new ATOM 836 N MET A 48 -3.956 -13.611 -6.749 1.00 35.12 N ATOM 837 CA MET A 48 -5.315 -13.840 -6.273 1.00 14.12 C ATOM 838 C MET A 48 -5.489 -13.318 -4.850 1.00 41.41 C ATOM 839 O MET A 48 -6.600 -12.996 -4.427 1.00 31.42 O ATOM 840 CB MET A 48 -5.652 -15.331 -6.325 1.00 15.14 C ATOM 841 CG MET A 48 -6.028 -15.821 -7.714 1.00 33.42 C ATOM 842 SD MET A 48 -7.754 -15.493 -8.124 1.00 62.10 S ATOM 843 CE MET A 48 -7.567 -14.266 -9.415 1.00 34.00 C ATOM 0 H MET A 48 -3.329 -14.407 -6.633 1.00 35.12 H new ATOM 0 HA MET A 48 -5.998 -13.297 -6.927 1.00 14.12 H new ATOM 0 HB2 MET A 48 -4.795 -15.902 -5.967 1.00 15.14 H new ATOM 0 HB3 MET A 48 -6.477 -15.533 -5.642 1.00 15.14 H new ATOM 0 HG2 MET A 48 -5.386 -15.339 -8.451 1.00 33.42 H new ATOM 0 HG3 MET A 48 -5.840 -16.893 -7.780 1.00 33.42 H new ATOM 0 HE1 MET A 48 -8.551 -13.962 -9.773 1.00 34.00 H new ATOM 0 HE2 MET A 48 -7.041 -13.398 -9.018 1.00 34.00 H new ATOM 0 HE3 MET A 48 -6.996 -14.691 -10.241 1.00 34.00 H new ATOM 853 N LEU A 49 -4.385 -13.234 -4.117 1.00 43.13 N ATOM 854 CA LEU A 49 -4.415 -12.750 -2.741 1.00 63.21 C ATOM 855 C LEU A 49 -5.132 -11.406 -2.652 1.00 63.32 C ATOM 856 O LEU A 49 -6.214 -11.306 -2.075 1.00 13.42 O ATOM 857 CB LEU A 49 -2.991 -12.618 -2.195 1.00 33.13 C ATOM 858 CG LEU A 49 -2.862 -12.525 -0.674 1.00 12.55 C ATOM 859 CD1 LEU A 49 -1.468 -12.936 -0.231 1.00 64.54 C ATOM 860 CD2 LEU A 49 -3.181 -11.116 -0.197 1.00 11.54 C ATOM 0 H LEU A 49 -3.458 -13.495 -4.452 1.00 43.13 H new ATOM 0 HA LEU A 49 -4.963 -13.474 -2.139 1.00 63.21 H new ATOM 0 HB2 LEU A 49 -2.411 -13.475 -2.537 1.00 33.13 H new ATOM 0 HB3 LEU A 49 -2.536 -11.730 -2.633 1.00 33.13 H new ATOM 0 HG LEU A 49 -3.581 -13.211 -0.225 1.00 12.55 H new ATOM 0 HD11 LEU A 49 -1.395 -12.864 0.854 1.00 64.54 H new ATOM 0 HD12 LEU A 49 -1.276 -13.964 -0.540 1.00 64.54 H new ATOM 0 HD13 LEU A 49 -0.731 -12.276 -0.689 1.00 64.54 H new ATOM 0 HD21 LEU A 49 -3.084 -11.068 0.888 1.00 11.54 H new ATOM 0 HD22 LEU A 49 -2.487 -10.411 -0.655 1.00 11.54 H new ATOM 0 HD23 LEU A 49 -4.201 -10.858 -0.482 1.00 11.54 H new ATOM 872 N LYS A 50 -4.522 -10.376 -3.229 1.00 52.15 N ATOM 873 CA LYS A 50 -5.102 -9.039 -3.219 1.00 12.50 C ATOM 874 C LYS A 50 -6.287 -8.952 -4.177 1.00 64.42 C ATOM 875 O LYS A 50 -6.163 -9.270 -5.360 1.00 73.33 O ATOM 876 CB LYS A 50 -4.047 -7.999 -3.600 1.00 64.51 C ATOM 877 CG LYS A 50 -2.806 -8.042 -2.724 1.00 10.12 C ATOM 878 CD LYS A 50 -1.565 -7.622 -3.494 1.00 31.54 C ATOM 879 CE LYS A 50 -0.914 -8.808 -4.189 1.00 71.12 C ATOM 880 NZ LYS A 50 -1.530 -9.079 -5.518 1.00 41.00 N ATOM 0 H LYS A 50 -3.625 -10.442 -3.710 1.00 52.15 H new ATOM 0 HA LYS A 50 -5.458 -8.833 -2.209 1.00 12.50 H new ATOM 0 HB2 LYS A 50 -3.754 -8.154 -4.638 1.00 64.51 H new ATOM 0 HB3 LYS A 50 -4.490 -7.005 -3.539 1.00 64.51 H new ATOM 0 HG2 LYS A 50 -2.943 -7.384 -1.866 1.00 10.12 H new ATOM 0 HG3 LYS A 50 -2.669 -9.051 -2.334 1.00 10.12 H new ATOM 0 HD2 LYS A 50 -1.832 -6.867 -4.233 1.00 31.54 H new ATOM 0 HD3 LYS A 50 -0.851 -7.161 -2.812 1.00 31.54 H new ATOM 0 HE2 LYS A 50 0.151 -8.615 -4.315 1.00 71.12 H new ATOM 0 HE3 LYS A 50 -1.005 -9.693 -3.559 1.00 71.12 H new ATOM 0 HZ1 LYS A 50 -0.781 -9.214 -6.227 1.00 41.00 H new ATOM 0 HZ2 LYS A 50 -2.113 -9.939 -5.462 1.00 41.00 H new ATOM 0 HZ3 LYS A 50 -2.127 -8.274 -5.795 1.00 41.00 H new ATOM 894 N ARG A 51 -7.431 -8.519 -3.660 1.00 5.20 N ATOM 895 CA ARG A 51 -8.636 -8.390 -4.470 1.00 40.33 C ATOM 896 C ARG A 51 -8.867 -6.936 -4.874 1.00 62.13 C ATOM 897 O ARG A 51 -8.177 -6.034 -4.401 1.00 10.40 O ATOM 898 CB ARG A 51 -9.851 -8.916 -3.704 1.00 65.50 C ATOM 899 CG ARG A 51 -9.646 -10.304 -3.117 1.00 5.43 C ATOM 900 CD ARG A 51 -10.972 -11.004 -2.868 1.00 21.12 C ATOM 901 NE ARG A 51 -11.207 -11.241 -1.446 1.00 63.52 N ATOM 902 CZ ARG A 51 -11.673 -10.317 -0.614 1.00 3.01 C ATOM 903 NH1 ARG A 51 -11.953 -9.100 -1.059 1.00 43.52 N ATOM 904 NH2 ARG A 51 -11.860 -10.608 0.667 1.00 62.40 N ATOM 0 H ARG A 51 -7.549 -8.251 -2.683 1.00 5.20 H new ATOM 0 HA ARG A 51 -8.500 -8.984 -5.374 1.00 40.33 H new ATOM 0 HB2 ARG A 51 -10.091 -8.222 -2.899 1.00 65.50 H new ATOM 0 HB3 ARG A 51 -10.711 -8.937 -4.373 1.00 65.50 H new ATOM 0 HG2 ARG A 51 -9.040 -10.902 -3.797 1.00 5.43 H new ATOM 0 HG3 ARG A 51 -9.093 -10.226 -2.181 1.00 5.43 H new ATOM 0 HD2 ARG A 51 -11.783 -10.399 -3.274 1.00 21.12 H new ATOM 0 HD3 ARG A 51 -10.986 -11.955 -3.401 1.00 21.12 H new ATOM 0 HE ARG A 51 -11.002 -12.167 -1.071 1.00 63.52 H new ATOM 0 HH11 ARG A 51 -11.811 -8.871 -2.043 1.00 43.52 H new ATOM 0 HH12 ARG A 51 -12.311 -8.392 -0.418 1.00 43.52 H new ATOM 0 HH21 ARG A 51 -11.646 -11.543 1.014 1.00 62.40 H new ATOM 0 HH22 ARG A 51 -12.218 -9.897 1.305 1.00 62.40 H new ATOM 918 N ALA A 52 -9.841 -6.719 -5.751 1.00 71.22 N ATOM 919 CA ALA A 52 -10.164 -5.376 -6.217 1.00 32.21 C ATOM 920 C ALA A 52 -8.999 -4.769 -6.992 1.00 72.12 C ATOM 921 O ALA A 52 -8.739 -3.569 -6.902 1.00 40.14 O ATOM 922 CB ALA A 52 -10.540 -4.486 -5.042 1.00 43.22 C ATOM 0 H ALA A 52 -10.420 -7.456 -6.153 1.00 71.22 H new ATOM 0 HA ALA A 52 -11.017 -5.447 -6.892 1.00 32.21 H new ATOM 0 HB1 ALA A 52 -10.779 -3.486 -5.405 1.00 43.22 H new ATOM 0 HB2 ALA A 52 -11.408 -4.904 -4.532 1.00 43.22 H new ATOM 0 HB3 ALA A 52 -9.703 -4.429 -4.346 1.00 43.22 H new ATOM 928 N LEU A 53 -8.300 -5.606 -7.752 1.00 20.14 N ATOM 929 CA LEU A 53 -7.161 -5.152 -8.542 1.00 4.13 C ATOM 930 C LEU A 53 -7.627 -4.394 -9.782 1.00 72.52 C ATOM 931 O LEU A 53 -6.948 -3.484 -10.259 1.00 74.42 O ATOM 932 CB LEU A 53 -6.293 -6.341 -8.952 1.00 70.44 C ATOM 933 CG LEU A 53 -4.781 -6.132 -8.865 1.00 44.31 C ATOM 934 CD1 LEU A 53 -4.338 -5.037 -9.824 1.00 1.41 C ATOM 935 CD2 LEU A 53 -4.371 -5.793 -7.439 1.00 40.22 C ATOM 0 H LEU A 53 -8.502 -6.602 -7.838 1.00 20.14 H new ATOM 0 HA LEU A 53 -6.569 -4.475 -7.926 1.00 4.13 H new ATOM 0 HB2 LEU A 53 -6.558 -7.192 -8.325 1.00 70.44 H new ATOM 0 HB3 LEU A 53 -6.544 -6.611 -9.978 1.00 70.44 H new ATOM 0 HG LEU A 53 -4.287 -7.060 -9.153 1.00 44.31 H new ATOM 0 HD11 LEU A 53 -3.259 -4.902 -9.749 1.00 1.41 H new ATOM 0 HD12 LEU A 53 -4.598 -5.320 -10.844 1.00 1.41 H new ATOM 0 HD13 LEU A 53 -4.839 -4.104 -9.567 1.00 1.41 H new ATOM 0 HD21 LEU A 53 -3.292 -5.648 -7.396 1.00 40.22 H new ATOM 0 HD22 LEU A 53 -4.873 -4.879 -7.124 1.00 40.22 H new ATOM 0 HD23 LEU A 53 -4.654 -6.610 -6.775 1.00 40.22 H new ATOM 947 N LYS A 54 -8.789 -4.776 -10.299 1.00 54.13 N ATOM 948 CA LYS A 54 -9.349 -4.133 -11.482 1.00 10.41 C ATOM 949 C LYS A 54 -10.127 -2.876 -11.102 1.00 70.20 C ATOM 950 O LYS A 54 -11.043 -2.927 -10.282 1.00 74.44 O ATOM 951 CB LYS A 54 -10.263 -5.104 -12.232 1.00 52.40 C ATOM 952 CG LYS A 54 -9.571 -6.389 -12.654 1.00 2.33 C ATOM 953 CD LYS A 54 -10.394 -7.158 -13.673 1.00 11.35 C ATOM 954 CE LYS A 54 -9.645 -8.374 -14.192 1.00 23.51 C ATOM 955 NZ LYS A 54 -10.298 -8.956 -15.397 1.00 32.40 N ATOM 0 H LYS A 54 -9.362 -5.528 -9.917 1.00 54.13 H new ATOM 0 HA LYS A 54 -8.523 -3.845 -12.133 1.00 10.41 H new ATOM 0 HB2 LYS A 54 -11.115 -5.351 -11.598 1.00 52.40 H new ATOM 0 HB3 LYS A 54 -10.659 -4.607 -13.118 1.00 52.40 H new ATOM 0 HG2 LYS A 54 -8.594 -6.155 -13.076 1.00 2.33 H new ATOM 0 HG3 LYS A 54 -9.398 -7.014 -11.778 1.00 2.33 H new ATOM 0 HD2 LYS A 54 -11.333 -7.474 -13.219 1.00 11.35 H new ATOM 0 HD3 LYS A 54 -10.648 -6.503 -14.506 1.00 11.35 H new ATOM 0 HE2 LYS A 54 -8.620 -8.093 -14.435 1.00 23.51 H new ATOM 0 HE3 LYS A 54 -9.591 -9.129 -13.408 1.00 23.51 H new ATOM 0 HZ1 LYS A 54 -9.757 -9.783 -15.720 1.00 32.40 H new ATOM 0 HZ2 LYS A 54 -11.268 -9.248 -15.160 1.00 32.40 H new ATOM 0 HZ3 LYS A 54 -10.327 -8.244 -16.154 1.00 32.40 H new ATOM 969 N ASN A 55 -9.756 -1.752 -11.703 1.00 52.52 N ATOM 970 CA ASN A 55 -10.420 -0.483 -11.428 1.00 40.11 C ATOM 971 C ASN A 55 -10.135 0.532 -12.531 1.00 13.31 C ATOM 972 O ASN A 55 -9.192 0.374 -13.307 1.00 30.25 O ATOM 973 CB ASN A 55 -9.963 0.074 -10.078 1.00 61.12 C ATOM 974 CG ASN A 55 -8.469 0.332 -10.035 1.00 73.44 C ATOM 975 OD1 ASN A 55 -7.957 1.197 -10.745 1.00 52.21 O ATOM 976 ND2 ASN A 55 -7.763 -0.421 -9.200 1.00 60.33 N ATOM 0 H ASN A 55 -8.999 -1.693 -12.384 1.00 52.52 H new ATOM 0 HA ASN A 55 -11.494 -0.665 -11.395 1.00 40.11 H new ATOM 0 HB2 ASN A 55 -10.495 1.003 -9.872 1.00 61.12 H new ATOM 0 HB3 ASN A 55 -10.231 -0.629 -9.289 1.00 61.12 H new ATOM 0 HD21 ASN A 55 -6.753 -0.294 -9.128 1.00 60.33 H new ATOM 0 HD22 ASN A 55 -8.230 -1.126 -8.630 1.00 60.33 H new ATOM 983 N LYS A 56 -10.958 1.573 -12.597 1.00 23.02 N ATOM 984 CA LYS A 56 -10.794 2.616 -13.603 1.00 11.12 C ATOM 985 C LYS A 56 -9.434 3.292 -13.470 1.00 42.32 C ATOM 986 O LYS A 56 -8.714 3.076 -12.496 1.00 15.14 O ATOM 987 CB LYS A 56 -11.908 3.657 -13.474 1.00 3.31 C ATOM 988 CG LYS A 56 -12.647 3.923 -14.775 1.00 65.41 C ATOM 989 CD LYS A 56 -13.966 4.634 -14.532 1.00 33.11 C ATOM 990 CE LYS A 56 -15.138 3.664 -14.577 1.00 45.42 C ATOM 991 NZ LYS A 56 -16.396 4.334 -15.011 1.00 21.12 N ATOM 0 H LYS A 56 -11.746 1.717 -11.965 1.00 23.02 H new ATOM 0 HA LYS A 56 -10.853 2.150 -14.586 1.00 11.12 H new ATOM 0 HB2 LYS A 56 -12.622 3.321 -12.722 1.00 3.31 H new ATOM 0 HB3 LYS A 56 -11.480 4.592 -13.112 1.00 3.31 H new ATOM 0 HG2 LYS A 56 -12.022 4.528 -15.432 1.00 65.41 H new ATOM 0 HG3 LYS A 56 -12.831 2.980 -15.289 1.00 65.41 H new ATOM 0 HD2 LYS A 56 -13.940 5.130 -13.562 1.00 33.11 H new ATOM 0 HD3 LYS A 56 -14.106 5.411 -15.284 1.00 33.11 H new ATOM 0 HE2 LYS A 56 -14.907 2.847 -15.261 1.00 45.42 H new ATOM 0 HE3 LYS A 56 -15.283 3.223 -13.591 1.00 45.42 H new ATOM 0 HZ1 LYS A 56 -17.171 3.640 -15.029 1.00 21.12 H new ATOM 0 HZ2 LYS A 56 -16.630 5.097 -14.345 1.00 21.12 H new ATOM 0 HZ3 LYS A 56 -16.266 4.733 -15.963 1.00 21.12 H new ATOM 1005 N ASN A 57 -9.088 4.114 -14.455 1.00 71.24 N ATOM 1006 CA ASN A 57 -7.813 4.824 -14.447 1.00 75.21 C ATOM 1007 C ASN A 57 -7.996 6.275 -14.880 1.00 2.33 C ATOM 1008 O ASN A 57 -9.037 6.647 -15.423 1.00 44.24 O ATOM 1009 CB ASN A 57 -6.812 4.127 -15.371 1.00 54.40 C ATOM 1010 CG ASN A 57 -7.329 3.997 -16.791 1.00 41.33 C ATOM 1011 OD1 ASN A 57 -8.303 4.647 -17.170 1.00 41.05 O ATOM 1012 ND2 ASN A 57 -6.676 3.154 -17.583 1.00 40.22 N ATOM 0 H ASN A 57 -9.672 4.305 -15.269 1.00 71.24 H new ATOM 0 HA ASN A 57 -7.426 4.813 -13.428 1.00 75.21 H new ATOM 0 HB2 ASN A 57 -5.877 4.687 -15.378 1.00 54.40 H new ATOM 0 HB3 ASN A 57 -6.587 3.136 -14.977 1.00 54.40 H new ATOM 0 HD21 ASN A 57 -6.977 3.025 -18.549 1.00 40.22 H new ATOM 0 HD22 ASN A 57 -5.873 2.636 -17.225 1.00 40.22 H new ATOM 1019 N LYS A 58 -6.977 7.092 -14.636 1.00 61.51 N ATOM 1020 CA LYS A 58 -7.022 8.503 -15.000 1.00 71.52 C ATOM 1021 C LYS A 58 -7.160 8.671 -16.511 1.00 30.32 C ATOM 1022 O LYS A 58 -6.769 7.793 -17.280 1.00 34.13 O ATOM 1023 CB LYS A 58 -5.761 9.218 -14.511 1.00 3.11 C ATOM 1024 CG LYS A 58 -5.495 9.035 -13.027 1.00 1.24 C ATOM 1025 CD LYS A 58 -4.491 10.051 -12.510 1.00 12.23 C ATOM 1026 CE LYS A 58 -5.164 11.368 -12.155 1.00 44.34 C ATOM 1027 NZ LYS A 58 -5.950 11.267 -10.894 1.00 51.41 N ATOM 0 H LYS A 58 -6.109 6.801 -14.187 1.00 61.51 H new ATOM 0 HA LYS A 58 -7.894 8.948 -14.521 1.00 71.52 H new ATOM 0 HB2 LYS A 58 -4.903 8.849 -15.073 1.00 3.11 H new ATOM 0 HB3 LYS A 58 -5.850 10.283 -14.727 1.00 3.11 H new ATOM 0 HG2 LYS A 58 -6.430 9.132 -12.474 1.00 1.24 H new ATOM 0 HG3 LYS A 58 -5.121 8.028 -12.845 1.00 1.24 H new ATOM 0 HD2 LYS A 58 -3.986 9.650 -11.631 1.00 12.23 H new ATOM 0 HD3 LYS A 58 -3.725 10.225 -13.266 1.00 12.23 H new ATOM 0 HE2 LYS A 58 -4.408 12.146 -12.050 1.00 44.34 H new ATOM 0 HE3 LYS A 58 -5.822 11.671 -12.970 1.00 44.34 H new ATOM 0 HZ1 LYS A 58 -6.208 12.220 -10.569 1.00 51.41 H new ATOM 0 HZ2 LYS A 58 -6.814 10.714 -11.067 1.00 51.41 H new ATOM 0 HZ3 LYS A 58 -5.377 10.796 -10.165 1.00 51.41 H new ATOM 1041 N ALA A 59 -7.718 9.802 -16.927 1.00 65.15 N ATOM 1042 CA ALA A 59 -7.903 10.086 -18.345 1.00 30.24 C ATOM 1043 C ALA A 59 -6.570 10.377 -19.026 1.00 1.24 C ATOM 1044 O ALA A 59 -6.347 9.976 -20.167 1.00 65.15 O ATOM 1045 CB ALA A 59 -8.859 11.256 -18.528 1.00 71.31 C ATOM 0 H ALA A 59 -8.050 10.537 -16.303 1.00 65.15 H new ATOM 0 HA ALA A 59 -8.334 9.202 -18.814 1.00 30.24 H new ATOM 0 HB1 ALA A 59 -8.988 11.457 -19.591 1.00 71.31 H new ATOM 0 HB2 ALA A 59 -9.824 11.010 -18.085 1.00 71.31 H new ATOM 0 HB3 ALA A 59 -8.450 12.140 -18.038 1.00 71.31 H new ATOM 1051 N GLU A 60 -5.689 11.077 -18.318 1.00 14.33 N ATOM 1052 CA GLU A 60 -4.380 11.423 -18.857 1.00 30.40 C ATOM 1053 C GLU A 60 -3.427 10.233 -18.775 1.00 14.11 C ATOM 1054 O GLU A 60 -2.249 10.345 -19.112 1.00 31.13 O ATOM 1055 CB GLU A 60 -3.791 12.615 -18.100 1.00 30.42 C ATOM 1056 CG GLU A 60 -4.560 13.909 -18.309 1.00 62.51 C ATOM 1057 CD GLU A 60 -5.850 13.955 -17.512 1.00 64.11 C ATOM 1058 OE1 GLU A 60 -5.775 13.988 -16.266 1.00 10.32 O ATOM 1059 OE2 GLU A 60 -6.932 13.959 -18.134 1.00 50.13 O ATOM 0 H GLU A 60 -5.858 11.415 -17.371 1.00 14.33 H new ATOM 0 HA GLU A 60 -4.507 11.694 -19.905 1.00 30.40 H new ATOM 0 HB2 GLU A 60 -3.769 12.383 -17.035 1.00 30.42 H new ATOM 0 HB3 GLU A 60 -2.758 12.761 -18.416 1.00 30.42 H new ATOM 0 HG2 GLU A 60 -3.930 14.752 -18.024 1.00 62.51 H new ATOM 0 HG3 GLU A 60 -4.787 14.025 -19.369 1.00 62.51 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.186 12.941 -4.724 1.00 4.43 ZN