USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= -8.35! C(o=-8.2!,f=-13!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -161:sc= 0.102 (180deg=0) USER MOD Set 2.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.0348) USER MOD Single : A 18 THR OG1 : rot -143:sc= -3.23! USER MOD Single : A 23 ASN : amide:sc= -0.0743 K(o=-0.074,f=-0.88) USER MOD Single : A 25 SER OG : rot 92:sc= -4.94! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -58:sc= -1.05! USER MOD Single : A 34 LYS NZ :NH3+ 137:sc= -0.344 (180deg=-2.53!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.194 USER MOD Single : A 48 GLN : amide:sc= -8.22! C(o=-8.2!,f=-7.7!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -109:sc= -0.601 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 26:sc= 0.63 USER MOD Single : A 61 LYS NZ :NH3+ -141:sc= -0.162 (180deg=-1.51!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.647! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.0156 K(o=0.016,f=-5.2!) USER MOD Single : A 82 SER OG : rot 61:sc= 0.165 USER MOD Single : A 84 SER OG : rot -140:sc= -4.34! USER MOD Single : A 87 TYR OH : rot -66:sc= -2.03! USER MOD Single : A 88 THR OG1 : rot -151:sc= 0.0578 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 102.380 17.808 11.058 1.00 0.00 N ATOM 2 CA SER A 1 102.329 19.262 11.383 1.00 0.00 C ATOM 3 C SER A 1 100.921 19.810 11.134 1.00 0.00 C ATOM 4 O SER A 1 100.270 20.305 12.033 1.00 0.00 O ATOM 5 CB SER A 1 103.333 19.914 10.434 1.00 0.00 C ATOM 6 OG SER A 1 102.895 21.229 10.117 1.00 0.00 O ATOM 0 H1 SER A 1 103.340 17.447 11.231 1.00 0.00 H new ATOM 0 H2 SER A 1 101.704 17.294 11.658 1.00 0.00 H new ATOM 0 H3 SER A 1 102.132 17.667 10.058 1.00 0.00 H new ATOM 0 HA SER A 1 102.567 19.461 12.428 1.00 0.00 H new ATOM 0 HB2 SER A 1 104.319 19.949 10.897 1.00 0.00 H new ATOM 0 HB3 SER A 1 103.429 19.321 9.524 1.00 0.00 H new ATOM 0 HG SER A 1 103.538 21.650 9.509 1.00 0.00 H new ATOM 14 N HIS A 2 100.447 19.727 9.921 1.00 0.00 N ATOM 15 CA HIS A 2 99.082 20.244 9.617 1.00 0.00 C ATOM 16 C HIS A 2 98.020 19.316 10.212 1.00 0.00 C ATOM 17 O HIS A 2 97.362 18.577 9.507 1.00 0.00 O ATOM 18 CB HIS A 2 98.993 20.253 8.091 1.00 0.00 C ATOM 19 CG HIS A 2 99.479 21.576 7.567 1.00 0.00 C ATOM 20 ND1 HIS A 2 100.815 21.811 7.278 1.00 0.00 N ATOM 21 CD2 HIS A 2 98.821 22.744 7.273 1.00 0.00 C ATOM 22 CE1 HIS A 2 100.917 23.077 6.834 1.00 0.00 C ATOM 23 NE2 HIS A 2 99.731 23.690 6.811 1.00 0.00 N ATOM 0 H HIS A 2 100.945 19.324 9.128 1.00 0.00 H new ATOM 0 HA HIS A 2 98.911 21.234 10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 2 99.593 19.443 7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 2 97.964 20.081 7.775 1.00 0.00 H new ATOM 0 HD2 HIS A 2 97.759 22.904 7.383 1.00 0.00 H new ATOM 0 HE1 HIS A 2 101.845 23.541 6.533 1.00 0.00 H new ATOM 0 HE2 HIS A 2 99.534 24.647 6.518 1.00 0.00 H new ATOM 31 N MET A 3 97.849 19.346 11.505 1.00 0.00 N ATOM 32 CA MET A 3 96.830 18.465 12.144 1.00 0.00 C ATOM 33 C MET A 3 96.016 19.256 13.171 1.00 0.00 C ATOM 34 O MET A 3 95.611 18.735 14.192 1.00 0.00 O ATOM 35 CB MET A 3 97.635 17.362 12.831 1.00 0.00 C ATOM 36 CG MET A 3 98.358 17.940 14.049 1.00 0.00 C ATOM 37 SD MET A 3 100.094 17.430 14.017 1.00 0.00 S ATOM 38 CE MET A 3 100.501 17.903 15.715 1.00 0.00 C ATOM 0 H MET A 3 98.371 19.942 12.147 1.00 0.00 H new ATOM 0 HA MET A 3 96.121 18.061 11.421 1.00 0.00 H new ATOM 0 HB2 MET A 3 96.973 16.552 13.138 1.00 0.00 H new ATOM 0 HB3 MET A 3 98.357 16.937 12.134 1.00 0.00 H new ATOM 0 HG2 MET A 3 98.287 19.028 14.045 1.00 0.00 H new ATOM 0 HG3 MET A 3 97.883 17.593 14.966 1.00 0.00 H new ATOM 0 HE1 MET A 3 101.547 17.672 15.916 1.00 0.00 H new ATOM 0 HE2 MET A 3 100.334 18.972 15.845 1.00 0.00 H new ATOM 0 HE3 MET A 3 99.868 17.350 16.409 1.00 0.00 H new ATOM 48 N LEU A 4 95.774 20.511 12.911 1.00 0.00 N ATOM 49 CA LEU A 4 94.987 21.336 13.874 1.00 0.00 C ATOM 50 C LEU A 4 93.958 22.186 13.124 1.00 0.00 C ATOM 51 O LEU A 4 93.777 23.353 13.408 1.00 0.00 O ATOM 52 CB LEU A 4 96.017 22.227 14.567 1.00 0.00 C ATOM 53 CG LEU A 4 96.502 21.547 15.849 1.00 0.00 C ATOM 54 CD1 LEU A 4 98.030 21.573 15.895 1.00 0.00 C ATOM 55 CD2 LEU A 4 95.943 22.294 17.063 1.00 0.00 C ATOM 0 H LEU A 4 96.087 21.002 12.074 1.00 0.00 H new ATOM 0 HA LEU A 4 94.434 20.724 14.586 1.00 0.00 H new ATOM 0 HB2 LEU A 4 96.859 22.413 13.901 1.00 0.00 H new ATOM 0 HB3 LEU A 4 95.576 23.196 14.801 1.00 0.00 H new ATOM 0 HG LEU A 4 96.156 20.513 15.865 1.00 0.00 H new ATOM 0 HD11 LEU A 4 98.375 21.088 16.808 1.00 0.00 H new ATOM 0 HD12 LEU A 4 98.429 21.043 15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 4 98.377 22.606 15.879 1.00 0.00 H new ATOM 0 HD21 LEU A 4 96.287 21.811 17.978 1.00 0.00 H new ATOM 0 HD22 LEU A 4 96.290 23.327 17.046 1.00 0.00 H new ATOM 0 HD23 LEU A 4 94.854 22.276 17.031 1.00 0.00 H new ATOM 67 N GLU A 5 93.282 21.609 12.167 1.00 0.00 N ATOM 68 CA GLU A 5 92.266 22.386 11.400 1.00 0.00 C ATOM 69 C GLU A 5 91.458 21.452 10.495 1.00 0.00 C ATOM 70 O GLU A 5 92.006 20.617 9.802 1.00 0.00 O ATOM 71 CB GLU A 5 93.075 23.376 10.562 1.00 0.00 C ATOM 72 CG GLU A 5 92.497 24.782 10.734 1.00 0.00 C ATOM 73 CD GLU A 5 93.580 25.820 10.436 1.00 0.00 C ATOM 74 OE1 GLU A 5 94.725 25.427 10.287 1.00 0.00 O ATOM 75 OE2 GLU A 5 93.246 26.991 10.361 1.00 0.00 O ATOM 0 H GLU A 5 93.389 20.635 11.884 1.00 0.00 H new ATOM 0 HA GLU A 5 91.553 22.891 12.052 1.00 0.00 H new ATOM 0 HB2 GLU A 5 94.120 23.361 10.871 1.00 0.00 H new ATOM 0 HB3 GLU A 5 93.048 23.086 9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 5 91.649 24.923 10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 5 92.124 24.911 11.750 1.00 0.00 H new ATOM 82 N ASP A 6 90.160 21.585 10.496 1.00 0.00 N ATOM 83 CA ASP A 6 89.319 20.707 9.636 1.00 0.00 C ATOM 84 C ASP A 6 87.835 20.994 9.881 1.00 0.00 C ATOM 85 O ASP A 6 87.180 20.293 10.625 1.00 0.00 O ATOM 86 CB ASP A 6 89.665 19.280 10.062 1.00 0.00 C ATOM 87 CG ASP A 6 89.828 18.401 8.821 1.00 0.00 C ATOM 88 OD1 ASP A 6 89.322 18.784 7.778 1.00 0.00 O ATOM 89 OD2 ASP A 6 90.456 17.360 8.933 1.00 0.00 O ATOM 0 H ASP A 6 89.646 22.265 11.056 1.00 0.00 H new ATOM 0 HA ASP A 6 89.505 20.870 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 6 90.585 19.277 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 6 88.879 18.880 10.703 1.00 0.00 H new ATOM 94 N PRO A 7 87.357 22.030 9.245 1.00 0.00 N ATOM 95 CA PRO A 7 85.940 22.433 9.394 1.00 0.00 C ATOM 96 C PRO A 7 85.032 21.610 8.472 1.00 0.00 C ATOM 97 O PRO A 7 83.957 22.040 8.103 1.00 0.00 O ATOM 98 CB PRO A 7 85.944 23.895 8.969 1.00 0.00 C ATOM 99 CG PRO A 7 87.123 24.047 8.055 1.00 0.00 C ATOM 100 CD PRO A 7 88.092 22.926 8.349 1.00 0.00 C ATOM 0 HA PRO A 7 85.562 22.277 10.404 1.00 0.00 H new ATOM 0 HB2 PRO A 7 85.017 24.157 8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 7 86.030 24.554 9.833 1.00 0.00 H new ATOM 0 HG2 PRO A 7 86.804 24.011 7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.602 25.014 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 7 88.394 22.413 7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 7 89.001 23.300 8.820 1.00 0.00 H new ATOM 108 N CYS A 8 85.451 20.435 8.098 1.00 0.00 N ATOM 109 CA CYS A 8 84.608 19.593 7.202 1.00 0.00 C ATOM 110 C CYS A 8 83.706 18.675 8.032 1.00 0.00 C ATOM 111 O CYS A 8 82.520 18.573 7.792 1.00 0.00 O ATOM 112 CB CYS A 8 85.602 18.768 6.383 1.00 0.00 C ATOM 113 SG CYS A 8 85.184 18.891 4.626 1.00 0.00 S ATOM 0 H CYS A 8 86.341 20.020 8.373 1.00 0.00 H new ATOM 0 HA CYS A 8 83.954 20.192 6.568 1.00 0.00 H new ATOM 0 HB2 CYS A 8 86.617 19.128 6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 8 85.576 17.726 6.702 1.00 0.00 H new ATOM 0 HG CYS A 8 86.030 18.192 3.929 1.00 0.00 H new ATOM 119 N THR A 9 84.262 18.006 9.008 1.00 0.00 N ATOM 120 CA THR A 9 83.444 17.090 9.862 1.00 0.00 C ATOM 121 C THR A 9 83.044 15.836 9.078 1.00 0.00 C ATOM 122 O THR A 9 82.371 14.964 9.588 1.00 0.00 O ATOM 123 CB THR A 9 82.203 17.898 10.248 1.00 0.00 C ATOM 124 OG1 THR A 9 82.563 19.260 10.428 1.00 0.00 O ATOM 125 CG2 THR A 9 81.616 17.346 11.548 1.00 0.00 C ATOM 0 H THR A 9 85.251 18.054 9.252 1.00 0.00 H new ATOM 0 HA THR A 9 83.998 16.751 10.737 1.00 0.00 H new ATOM 0 HB THR A 9 81.459 17.821 9.456 1.00 0.00 H new ATOM 0 HG1 THR A 9 81.769 19.779 10.674 1.00 0.00 H new ATOM 0 HG21 THR A 9 80.732 17.922 11.822 1.00 0.00 H new ATOM 0 HG22 THR A 9 81.339 16.301 11.407 1.00 0.00 H new ATOM 0 HG23 THR A 9 82.358 17.420 12.343 1.00 0.00 H new ATOM 133 N SER A 10 83.457 15.737 7.842 1.00 0.00 N ATOM 134 CA SER A 10 83.102 14.538 7.029 1.00 0.00 C ATOM 135 C SER A 10 81.642 14.143 7.270 1.00 0.00 C ATOM 136 O SER A 10 81.356 13.123 7.866 1.00 0.00 O ATOM 137 CB SER A 10 84.041 13.438 7.516 1.00 0.00 C ATOM 138 OG SER A 10 85.381 13.788 7.196 1.00 0.00 O ATOM 0 H SER A 10 84.025 16.435 7.361 1.00 0.00 H new ATOM 0 HA SER A 10 83.207 14.721 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 10 83.935 13.304 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 10 83.780 12.488 7.049 1.00 0.00 H new ATOM 0 HG SER A 10 85.987 13.084 7.509 1.00 0.00 H new ATOM 144 N LYS A 11 80.716 14.939 6.810 1.00 0.00 N ATOM 145 CA LYS A 11 79.277 14.602 7.015 1.00 0.00 C ATOM 146 C LYS A 11 78.771 13.740 5.858 1.00 0.00 C ATOM 147 O LYS A 11 78.548 12.555 6.009 1.00 0.00 O ATOM 148 CB LYS A 11 78.553 15.949 7.044 1.00 0.00 C ATOM 149 CG LYS A 11 77.044 15.722 6.939 1.00 0.00 C ATOM 150 CD LYS A 11 76.315 17.059 7.084 1.00 0.00 C ATOM 151 CE LYS A 11 76.485 17.583 8.511 1.00 0.00 C ATOM 152 NZ LYS A 11 75.409 18.600 8.678 1.00 0.00 N ATOM 0 H LYS A 11 80.892 15.806 6.302 1.00 0.00 H new ATOM 0 HA LYS A 11 79.110 14.034 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 11 78.788 16.480 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.895 16.575 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 11 76.800 15.265 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 11 76.715 15.030 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 11 76.713 17.781 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 11 75.257 16.935 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 11 76.386 16.780 9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 11 77.471 18.024 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 75.460 19.006 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 75.533 19.356 7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 74.481 18.150 8.542 1.00 0.00 H new ATOM 166 N LYS A 12 78.596 14.317 4.701 1.00 0.00 N ATOM 167 CA LYS A 12 78.111 13.513 3.542 1.00 0.00 C ATOM 168 C LYS A 12 79.244 12.633 3.008 1.00 0.00 C ATOM 169 O LYS A 12 79.074 11.883 2.068 1.00 0.00 O ATOM 170 CB LYS A 12 77.634 14.546 2.504 1.00 0.00 C ATOM 171 CG LYS A 12 78.701 14.777 1.423 1.00 0.00 C ATOM 172 CD LYS A 12 79.928 15.448 2.043 1.00 0.00 C ATOM 173 CE LYS A 12 79.933 16.936 1.683 1.00 0.00 C ATOM 174 NZ LYS A 12 80.465 16.993 0.293 1.00 0.00 N ATOM 0 H LYS A 12 78.766 15.304 4.508 1.00 0.00 H new ATOM 0 HA LYS A 12 77.301 12.833 3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 12 76.711 14.200 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 12 77.407 15.488 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 12 78.984 13.827 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 12 78.296 15.402 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 12 79.915 15.325 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 12 80.839 14.972 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 12 78.930 17.359 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 12 80.559 17.506 2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 81.421 17.402 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 80.503 16.032 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 79.842 17.585 -0.293 1.00 0.00 H new ATOM 188 N VAL A 13 80.391 12.713 3.613 1.00 0.00 N ATOM 189 CA VAL A 13 81.534 11.876 3.163 1.00 0.00 C ATOM 190 C VAL A 13 81.447 10.503 3.829 1.00 0.00 C ATOM 191 O VAL A 13 81.962 9.524 3.328 1.00 0.00 O ATOM 192 CB VAL A 13 82.785 12.624 3.624 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.000 11.701 3.525 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.002 13.850 2.733 1.00 0.00 C ATOM 0 H VAL A 13 80.588 13.325 4.405 1.00 0.00 H new ATOM 0 HA VAL A 13 81.542 11.716 2.085 1.00 0.00 H new ATOM 0 HB VAL A 13 82.656 12.943 4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.891 12.236 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.846 10.828 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.130 11.381 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.894 14.385 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.130 13.530 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.137 14.509 2.804 1.00 0.00 H new ATOM 204 N ARG A 14 80.792 10.427 4.956 1.00 0.00 N ATOM 205 CA ARG A 14 80.663 9.116 5.652 1.00 0.00 C ATOM 206 C ARG A 14 79.819 8.159 4.810 1.00 0.00 C ATOM 207 O ARG A 14 80.112 6.985 4.712 1.00 0.00 O ATOM 208 CB ARG A 14 79.963 9.432 6.975 1.00 0.00 C ATOM 209 CG ARG A 14 80.925 9.173 8.136 1.00 0.00 C ATOM 210 CD ARG A 14 82.147 10.084 7.999 1.00 0.00 C ATOM 211 NE ARG A 14 83.160 9.511 8.928 1.00 0.00 N ATOM 212 CZ ARG A 14 83.955 10.304 9.595 1.00 0.00 C ATOM 213 NH1 ARG A 14 83.464 11.326 10.241 1.00 0.00 N ATOM 214 NH2 ARG A 14 85.239 10.074 9.616 1.00 0.00 N ATOM 0 H ARG A 14 80.342 11.214 5.423 1.00 0.00 H new ATOM 0 HA ARG A 14 81.628 8.635 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 14 79.635 10.471 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 14 79.071 8.815 7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.424 9.359 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 14 81.235 8.128 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 14 82.516 10.099 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 14 81.904 11.113 8.265 1.00 0.00 H new ATOM 0 HE ARG A 14 83.233 8.500 9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 14 82.460 11.505 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 14 84.084 11.946 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 14 85.622 9.275 9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 14 85.860 10.694 10.137 1.00 0.00 H new ATOM 228 N ALA A 15 78.777 8.646 4.193 1.00 0.00 N ATOM 229 CA ALA A 15 77.935 7.750 3.357 1.00 0.00 C ATOM 230 C ALA A 15 78.690 7.381 2.079 1.00 0.00 C ATOM 231 O ALA A 15 78.404 6.388 1.440 1.00 0.00 O ATOM 232 CB ALA A 15 76.681 8.560 3.027 1.00 0.00 C ATOM 0 H ALA A 15 78.475 9.620 4.232 1.00 0.00 H new ATOM 0 HA ALA A 15 77.685 6.820 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.012 7.960 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.173 8.836 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 15 76.963 9.462 2.484 1.00 0.00 H new ATOM 238 N ALA A 16 79.658 8.174 1.704 1.00 0.00 N ATOM 239 CA ALA A 16 80.436 7.871 0.469 1.00 0.00 C ATOM 240 C ALA A 16 80.939 6.431 0.508 1.00 0.00 C ATOM 241 O ALA A 16 80.812 5.691 -0.448 1.00 0.00 O ATOM 242 CB ALA A 16 81.607 8.855 0.483 1.00 0.00 C ATOM 0 H ALA A 16 79.943 9.018 2.200 1.00 0.00 H new ATOM 0 HA ALA A 16 79.836 7.973 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.228 8.694 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.225 9.876 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.204 8.698 1.381 1.00 0.00 H new ATOM 248 N ARG A 17 81.501 6.023 1.608 1.00 0.00 N ATOM 249 CA ARG A 17 82.000 4.620 1.706 1.00 0.00 C ATOM 250 C ARG A 17 80.820 3.650 1.806 1.00 0.00 C ATOM 251 O ARG A 17 80.994 2.449 1.875 1.00 0.00 O ATOM 252 CB ARG A 17 82.881 4.558 2.968 1.00 0.00 C ATOM 253 CG ARG A 17 82.153 5.139 4.192 1.00 0.00 C ATOM 254 CD ARG A 17 80.876 4.344 4.476 1.00 0.00 C ATOM 255 NE ARG A 17 80.732 4.363 5.957 1.00 0.00 N ATOM 256 CZ ARG A 17 79.857 5.152 6.516 1.00 0.00 C ATOM 257 NH1 ARG A 17 78.583 4.984 6.283 1.00 0.00 N ATOM 258 NH2 ARG A 17 80.253 6.110 7.310 1.00 0.00 N ATOM 0 H ARG A 17 81.638 6.595 2.442 1.00 0.00 H new ATOM 0 HA ARG A 17 82.574 4.333 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.161 3.524 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.804 5.111 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 17 82.809 5.110 5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.906 6.186 4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 17 80.012 4.798 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 17 80.954 3.324 4.100 1.00 0.00 H new ATOM 0 HE ARG A 17 81.317 3.759 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 17 78.272 4.236 5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 17 77.899 5.601 6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 17 81.248 6.242 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 17 79.568 6.727 7.747 1.00 0.00 H new ATOM 272 N THR A 18 79.618 4.163 1.815 1.00 0.00 N ATOM 273 CA THR A 18 78.426 3.273 1.911 1.00 0.00 C ATOM 274 C THR A 18 77.538 3.437 0.676 1.00 0.00 C ATOM 275 O THR A 18 77.679 4.372 -0.087 1.00 0.00 O ATOM 276 CB THR A 18 77.688 3.737 3.171 1.00 0.00 C ATOM 277 OG1 THR A 18 78.373 3.270 4.329 1.00 0.00 O ATOM 278 CG2 THR A 18 76.262 3.183 3.163 1.00 0.00 C ATOM 0 H THR A 18 79.411 5.160 1.760 1.00 0.00 H new ATOM 0 HA THR A 18 78.701 2.219 1.963 1.00 0.00 H new ATOM 0 HB THR A 18 77.654 4.826 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.721 3.026 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.738 3.514 4.060 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.735 3.546 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.295 2.094 3.143 1.00 0.00 H new ATOM 286 N LEU A 19 76.623 2.531 0.479 1.00 0.00 N ATOM 287 CA LEU A 19 75.712 2.617 -0.700 1.00 0.00 C ATOM 288 C LEU A 19 74.344 2.041 -0.336 1.00 0.00 C ATOM 289 O LEU A 19 74.164 1.467 0.719 1.00 0.00 O ATOM 290 CB LEU A 19 76.378 1.777 -1.795 1.00 0.00 C ATOM 291 CG LEU A 19 76.991 0.515 -1.192 1.00 0.00 C ATOM 292 CD1 LEU A 19 76.479 -0.712 -1.948 1.00 0.00 C ATOM 293 CD2 LEU A 19 78.515 0.586 -1.313 1.00 0.00 C ATOM 0 H LEU A 19 76.464 1.728 1.087 1.00 0.00 H new ATOM 0 HA LEU A 19 75.555 3.645 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.643 1.507 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.150 2.363 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 19 76.709 0.438 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.916 -1.613 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.393 -0.762 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.762 -0.637 -2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.956 -0.313 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.793 0.660 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.882 1.462 -0.778 1.00 0.00 H new ATOM 305 N LEU A 20 73.376 2.193 -1.194 1.00 0.00 N ATOM 306 CA LEU A 20 72.020 1.656 -0.883 1.00 0.00 C ATOM 307 C LEU A 20 71.564 0.665 -1.957 1.00 0.00 C ATOM 308 O LEU A 20 71.480 0.992 -3.123 1.00 0.00 O ATOM 309 CB LEU A 20 71.106 2.882 -0.868 1.00 0.00 C ATOM 310 CG LEU A 20 69.688 2.457 -0.486 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.399 2.881 0.956 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.684 3.130 -1.424 1.00 0.00 C ATOM 0 H LEU A 20 73.463 2.664 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 20 72.006 1.115 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.480 3.619 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 20 71.103 3.358 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 20 69.598 1.374 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.388 2.578 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.114 2.403 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.489 3.964 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.673 2.827 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.774 4.213 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.889 2.830 -2.452 1.00 0.00 H new ATOM 324 N ALA A 21 71.255 -0.544 -1.570 1.00 0.00 N ATOM 325 CA ALA A 21 70.789 -1.549 -2.568 1.00 0.00 C ATOM 326 C ALA A 21 69.300 -1.337 -2.854 1.00 0.00 C ATOM 327 O ALA A 21 68.543 -0.950 -1.985 1.00 0.00 O ATOM 328 CB ALA A 21 71.022 -2.908 -1.904 1.00 0.00 C ATOM 0 H ALA A 21 71.305 -0.878 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 21 71.316 -1.471 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.703 -3.702 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.082 -3.027 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.447 -2.965 -0.979 1.00 0.00 H new ATOM 334 N LYS A 22 68.871 -1.582 -4.062 1.00 0.00 N ATOM 335 CA LYS A 22 67.430 -1.383 -4.390 1.00 0.00 C ATOM 336 C LYS A 22 66.942 -2.476 -5.345 1.00 0.00 C ATOM 337 O LYS A 22 67.708 -3.294 -5.812 1.00 0.00 O ATOM 338 CB LYS A 22 67.363 -0.014 -5.066 1.00 0.00 C ATOM 339 CG LYS A 22 67.325 1.083 -4.000 1.00 0.00 C ATOM 340 CD LYS A 22 66.047 1.910 -4.164 1.00 0.00 C ATOM 341 CE LYS A 22 66.258 2.966 -5.251 1.00 0.00 C ATOM 342 NZ LYS A 22 65.035 2.895 -6.099 1.00 0.00 N ATOM 0 H LYS A 22 69.453 -1.910 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 22 66.797 -1.434 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.228 0.125 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.477 0.048 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 22 67.359 0.639 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 22 68.201 1.725 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.213 1.261 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.789 2.391 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 22 66.381 3.959 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 22 67.155 2.759 -5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 65.105 3.591 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.947 1.941 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.198 3.104 -5.519 1.00 0.00 H new ATOM 356 N ASN A 23 65.671 -2.489 -5.640 1.00 0.00 N ATOM 357 CA ASN A 23 65.130 -3.524 -6.566 1.00 0.00 C ATOM 358 C ASN A 23 65.360 -4.924 -5.994 1.00 0.00 C ATOM 359 O ASN A 23 65.217 -5.916 -6.680 1.00 0.00 O ATOM 360 CB ASN A 23 65.911 -3.340 -7.867 1.00 0.00 C ATOM 361 CG ASN A 23 65.168 -4.031 -9.012 1.00 0.00 C ATOM 362 OD1 ASN A 23 63.961 -3.937 -9.114 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.843 -4.728 -9.885 1.00 0.00 N ATOM 0 H ASN A 23 64.983 -1.827 -5.280 1.00 0.00 H new ATOM 0 HA ASN A 23 64.056 -3.419 -6.717 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.030 -2.279 -8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.912 -3.758 -7.765 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.357 -5.193 -10.652 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.856 -4.808 -9.800 1.00 0.00 H new ATOM 370 N LEU A 24 65.713 -5.012 -4.742 1.00 0.00 N ATOM 371 CA LEU A 24 65.947 -6.351 -4.129 1.00 0.00 C ATOM 372 C LEU A 24 64.667 -7.187 -4.197 1.00 0.00 C ATOM 373 O LEU A 24 63.792 -6.931 -5.002 1.00 0.00 O ATOM 374 CB LEU A 24 66.334 -6.060 -2.677 1.00 0.00 C ATOM 375 CG LEU A 24 67.754 -5.496 -2.631 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.766 -4.201 -1.817 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.687 -6.517 -1.976 1.00 0.00 C ATOM 0 H LEU A 24 65.850 -4.217 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 24 66.722 -6.918 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.634 -5.348 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.274 -6.972 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 24 68.094 -5.289 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.779 -3.801 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.102 -3.472 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.425 -4.406 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.700 -6.116 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.345 -6.724 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.681 -7.440 -2.556 1.00 0.00 H new ATOM 389 N SER A 25 64.545 -8.186 -3.366 1.00 0.00 N ATOM 390 CA SER A 25 63.317 -9.031 -3.396 1.00 0.00 C ATOM 391 C SER A 25 62.756 -9.208 -1.984 1.00 0.00 C ATOM 392 O SER A 25 63.384 -8.854 -1.005 1.00 0.00 O ATOM 393 CB SER A 25 63.775 -10.373 -3.962 1.00 0.00 C ATOM 394 OG SER A 25 64.338 -10.170 -5.251 1.00 0.00 O ATOM 0 H SER A 25 65.240 -8.453 -2.669 1.00 0.00 H new ATOM 0 HA SER A 25 62.525 -8.583 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.510 -10.829 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 25 62.932 -11.061 -4.025 1.00 0.00 H new ATOM 0 HG SER A 25 65.305 -10.031 -5.168 1.00 0.00 H new ATOM 400 N PHE A 26 61.578 -9.756 -1.872 1.00 0.00 N ATOM 401 CA PHE A 26 60.972 -9.963 -0.529 1.00 0.00 C ATOM 402 C PHE A 26 61.603 -11.181 0.150 1.00 0.00 C ATOM 403 O PHE A 26 61.430 -11.406 1.332 1.00 0.00 O ATOM 404 CB PHE A 26 59.493 -10.213 -0.812 1.00 0.00 C ATOM 405 CG PHE A 26 58.701 -8.959 -0.530 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.750 -7.884 -1.426 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.912 -8.873 0.623 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.011 -6.723 -1.169 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.175 -7.711 0.882 1.00 0.00 C ATOM 410 CZ PHE A 26 57.223 -6.637 -0.015 1.00 0.00 C ATOM 0 H PHE A 26 61.007 -10.070 -2.657 1.00 0.00 H new ATOM 0 HA PHE A 26 61.126 -9.114 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.358 -10.514 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.128 -11.032 -0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.358 -7.951 -2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.872 -9.703 1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.049 -5.894 -1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.569 -7.643 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.652 -5.742 0.183 1.00 0.00 H new ATOM 420 N ASN A 27 62.333 -11.971 -0.590 1.00 0.00 N ATOM 421 CA ASN A 27 62.971 -13.173 0.004 1.00 0.00 C ATOM 422 C ASN A 27 64.411 -12.861 0.420 1.00 0.00 C ATOM 423 O ASN A 27 64.850 -13.224 1.494 1.00 0.00 O ATOM 424 CB ASN A 27 62.949 -14.224 -1.105 1.00 0.00 C ATOM 425 CG ASN A 27 63.511 -15.543 -0.572 1.00 0.00 C ATOM 426 OD1 ASN A 27 64.638 -15.895 -0.857 1.00 0.00 O ATOM 427 ND2 ASN A 27 62.769 -16.292 0.197 1.00 0.00 N ATOM 0 H ASN A 27 62.514 -11.832 -1.584 1.00 0.00 H new ATOM 0 HA ASN A 27 62.451 -13.514 0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.930 -14.369 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.539 -13.883 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 27 63.136 -17.173 0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 27 61.823 -15.997 0.437 1.00 0.00 H new ATOM 434 N ILE A 28 65.151 -12.192 -0.422 1.00 0.00 N ATOM 435 CA ILE A 28 66.562 -11.862 -0.071 1.00 0.00 C ATOM 436 C ILE A 28 66.625 -11.297 1.354 1.00 0.00 C ATOM 437 O ILE A 28 65.614 -11.020 1.970 1.00 0.00 O ATOM 438 CB ILE A 28 67.002 -10.830 -1.128 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.019 -11.484 -2.064 1.00 0.00 C ATOM 440 CG2 ILE A 28 67.646 -9.599 -0.476 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.258 -10.577 -3.271 1.00 0.00 C ATOM 0 H ILE A 28 64.841 -11.860 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 28 67.221 -12.730 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 28 66.119 -10.504 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.956 -11.658 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 28 67.653 -12.457 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 28 67.945 -8.892 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 28 66.928 -9.124 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 28 68.524 -9.906 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 28 68.983 -11.043 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 28 67.319 -10.426 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.642 -9.615 -2.933 1.00 0.00 H new ATOM 453 N THR A 29 67.807 -11.129 1.876 1.00 0.00 N ATOM 454 CA THR A 29 67.945 -10.588 3.260 1.00 0.00 C ATOM 455 C THR A 29 69.396 -10.180 3.526 1.00 0.00 C ATOM 456 O THR A 29 70.265 -10.362 2.695 1.00 0.00 O ATOM 457 CB THR A 29 67.550 -11.746 4.178 1.00 0.00 C ATOM 458 OG1 THR A 29 67.948 -12.973 3.583 1.00 0.00 O ATOM 459 CG2 THR A 29 66.035 -11.743 4.391 1.00 0.00 C ATOM 0 H THR A 29 68.686 -11.343 1.405 1.00 0.00 H new ATOM 0 HA THR A 29 67.326 -9.705 3.419 1.00 0.00 H new ATOM 0 HB THR A 29 68.045 -11.631 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.521 -13.065 2.706 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.758 -12.569 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.734 -10.801 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.532 -11.857 3.431 1.00 0.00 H new ATOM 467 N GLU A 30 69.669 -9.641 4.683 1.00 0.00 N ATOM 468 CA GLU A 30 71.067 -9.241 4.998 1.00 0.00 C ATOM 469 C GLU A 30 72.003 -10.414 4.709 1.00 0.00 C ATOM 470 O GLU A 30 73.157 -10.235 4.372 1.00 0.00 O ATOM 471 CB GLU A 30 71.059 -8.903 6.488 1.00 0.00 C ATOM 472 CG GLU A 30 71.514 -7.455 6.686 1.00 0.00 C ATOM 473 CD GLU A 30 72.468 -7.377 7.879 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.496 -8.035 7.835 1.00 0.00 O ATOM 475 OE2 GLU A 30 72.158 -6.660 8.815 1.00 0.00 O ATOM 0 H GLU A 30 68.987 -9.462 5.420 1.00 0.00 H new ATOM 0 HA GLU A 30 71.412 -8.396 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.058 -9.040 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.720 -9.580 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.010 -7.093 5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.651 -6.811 6.855 1.00 0.00 H new ATOM 482 N ASP A 31 71.506 -11.616 4.826 1.00 0.00 N ATOM 483 CA ASP A 31 72.356 -12.805 4.543 1.00 0.00 C ATOM 484 C ASP A 31 72.808 -12.768 3.085 1.00 0.00 C ATOM 485 O ASP A 31 73.986 -12.713 2.788 1.00 0.00 O ATOM 486 CB ASP A 31 71.452 -14.013 4.797 1.00 0.00 C ATOM 487 CG ASP A 31 72.121 -14.948 5.807 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.956 -14.475 6.560 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.787 -16.121 5.810 1.00 0.00 O ATOM 0 H ASP A 31 70.547 -11.825 5.106 1.00 0.00 H new ATOM 0 HA ASP A 31 73.252 -12.840 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.485 -13.683 5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.265 -14.543 3.863 1.00 0.00 H new ATOM 494 N GLU A 32 71.878 -12.779 2.174 1.00 0.00 N ATOM 495 CA GLU A 32 72.251 -12.724 0.734 1.00 0.00 C ATOM 496 C GLU A 32 73.060 -11.457 0.473 1.00 0.00 C ATOM 497 O GLU A 32 73.986 -11.439 -0.319 1.00 0.00 O ATOM 498 CB GLU A 32 70.923 -12.685 -0.024 1.00 0.00 C ATOM 499 CG GLU A 32 70.272 -14.070 0.011 1.00 0.00 C ATOM 500 CD GLU A 32 69.457 -14.220 1.296 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.404 -13.609 1.381 1.00 0.00 O ATOM 502 OE2 GLU A 32 69.899 -14.941 2.175 1.00 0.00 O ATOM 0 H GLU A 32 70.877 -12.824 2.363 1.00 0.00 H new ATOM 0 HA GLU A 32 72.861 -13.572 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.258 -11.948 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.090 -12.377 -1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.628 -14.202 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.037 -14.844 -0.039 1.00 0.00 H new ATOM 509 N LEU A 33 72.731 -10.399 1.159 1.00 0.00 N ATOM 510 CA LEU A 33 73.487 -9.136 0.983 1.00 0.00 C ATOM 511 C LEU A 33 74.858 -9.312 1.618 1.00 0.00 C ATOM 512 O LEU A 33 75.854 -8.822 1.129 1.00 0.00 O ATOM 513 CB LEU A 33 72.676 -8.072 1.724 1.00 0.00 C ATOM 514 CG LEU A 33 71.342 -7.857 1.009 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.436 -6.979 1.873 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.590 -7.166 -0.334 1.00 0.00 C ATOM 0 H LEU A 33 71.968 -10.358 1.835 1.00 0.00 H new ATOM 0 HA LEU A 33 73.629 -8.858 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.502 -8.384 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.234 -7.137 1.764 1.00 0.00 H new ATOM 0 HG LEU A 33 70.861 -8.820 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.485 -6.825 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.260 -7.469 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.917 -6.015 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.640 -7.012 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 33 72.071 -6.203 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.236 -7.791 -0.951 1.00 0.00 H new ATOM 528 N LYS A 34 74.913 -10.036 2.701 1.00 0.00 N ATOM 529 CA LYS A 34 76.218 -10.271 3.363 1.00 0.00 C ATOM 530 C LYS A 34 77.028 -11.251 2.522 1.00 0.00 C ATOM 531 O LYS A 34 78.240 -11.307 2.593 1.00 0.00 O ATOM 532 CB LYS A 34 75.882 -10.866 4.730 1.00 0.00 C ATOM 533 CG LYS A 34 77.127 -10.838 5.619 1.00 0.00 C ATOM 534 CD LYS A 34 77.222 -12.146 6.408 1.00 0.00 C ATOM 535 CE LYS A 34 78.206 -13.090 5.714 1.00 0.00 C ATOM 536 NZ LYS A 34 79.492 -12.340 5.670 1.00 0.00 N ATOM 0 H LYS A 34 74.110 -10.473 3.153 1.00 0.00 H new ATOM 0 HA LYS A 34 76.810 -9.362 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.076 -10.300 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.527 -11.890 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.020 -10.704 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.079 -9.991 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.552 -11.945 7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.240 -12.614 6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.312 -14.024 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 34 77.865 -13.348 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.274 -12.977 5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.644 -11.967 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.457 -11.551 6.347 1.00 0.00 H new ATOM 550 N GLU A 35 76.353 -12.012 1.713 1.00 0.00 N ATOM 551 CA GLU A 35 77.049 -12.987 0.839 1.00 0.00 C ATOM 552 C GLU A 35 77.499 -12.287 -0.443 1.00 0.00 C ATOM 553 O GLU A 35 78.532 -12.594 -1.003 1.00 0.00 O ATOM 554 CB GLU A 35 76.008 -14.065 0.530 1.00 0.00 C ATOM 555 CG GLU A 35 76.481 -14.907 -0.656 1.00 0.00 C ATOM 556 CD GLU A 35 75.888 -16.314 -0.553 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.837 -16.449 0.051 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.495 -17.232 -1.081 1.00 0.00 O ATOM 0 H GLU A 35 75.337 -11.999 1.620 1.00 0.00 H new ATOM 0 HA GLU A 35 77.936 -13.413 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.857 -14.700 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.048 -13.603 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.175 -14.440 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.570 -14.960 -0.667 1.00 0.00 H new ATOM 565 N VAL A 36 76.734 -11.332 -0.900 1.00 0.00 N ATOM 566 CA VAL A 36 77.122 -10.595 -2.134 1.00 0.00 C ATOM 567 C VAL A 36 78.076 -9.460 -1.764 1.00 0.00 C ATOM 568 O VAL A 36 78.995 -9.142 -2.492 1.00 0.00 O ATOM 569 CB VAL A 36 75.812 -10.037 -2.695 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.118 -8.921 -3.699 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.042 -11.154 -3.400 1.00 0.00 C ATOM 0 H VAL A 36 75.858 -11.032 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 36 77.631 -11.227 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 36 75.211 -9.638 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.184 -8.524 -4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.667 -8.123 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.720 -9.321 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.109 -10.757 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.645 -11.553 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.822 -11.950 -2.688 1.00 0.00 H new ATOM 581 N PHE A 37 77.861 -8.848 -0.630 1.00 0.00 N ATOM 582 CA PHE A 37 78.745 -7.740 -0.203 1.00 0.00 C ATOM 583 C PHE A 37 79.774 -8.247 0.812 1.00 0.00 C ATOM 584 O PHE A 37 79.892 -7.728 1.903 1.00 0.00 O ATOM 585 CB PHE A 37 77.800 -6.737 0.450 1.00 0.00 C ATOM 586 CG PHE A 37 76.889 -6.138 -0.596 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.433 -5.521 -1.727 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.500 -6.201 -0.431 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.589 -4.965 -2.695 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.655 -5.646 -1.400 1.00 0.00 C ATOM 591 CZ PHE A 37 75.199 -5.028 -2.532 1.00 0.00 C ATOM 0 H PHE A 37 77.106 -9.073 0.018 1.00 0.00 H new ATOM 0 HA PHE A 37 79.307 -7.305 -1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.209 -7.230 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.373 -5.950 0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.505 -5.474 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.081 -6.677 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 37 77.009 -4.487 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.583 -5.695 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.547 -4.600 -3.279 1.00 0.00 H new ATOM 601 N GLU A 38 80.517 -9.263 0.463 1.00 0.00 N ATOM 602 CA GLU A 38 81.533 -9.805 1.412 1.00 0.00 C ATOM 603 C GLU A 38 82.745 -8.872 1.493 1.00 0.00 C ATOM 604 O GLU A 38 83.704 -9.148 2.187 1.00 0.00 O ATOM 605 CB GLU A 38 81.936 -11.159 0.829 1.00 0.00 C ATOM 606 CG GLU A 38 82.136 -12.165 1.965 1.00 0.00 C ATOM 607 CD GLU A 38 81.995 -13.587 1.420 1.00 0.00 C ATOM 608 OE1 GLU A 38 82.899 -14.028 0.730 1.00 0.00 O ATOM 609 OE2 GLU A 38 80.985 -14.211 1.702 1.00 0.00 O ATOM 0 H GLU A 38 80.465 -9.741 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 38 81.140 -9.896 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.166 -11.516 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.855 -11.059 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.121 -12.032 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.402 -11.992 2.752 1.00 0.00 H new ATOM 616 N ASP A 39 82.713 -7.774 0.790 1.00 0.00 N ATOM 617 CA ASP A 39 83.868 -6.832 0.831 1.00 0.00 C ATOM 618 C ASP A 39 83.478 -5.546 1.564 1.00 0.00 C ATOM 619 O ASP A 39 84.239 -4.600 1.623 1.00 0.00 O ATOM 620 CB ASP A 39 84.192 -6.537 -0.633 1.00 0.00 C ATOM 621 CG ASP A 39 85.704 -6.614 -0.847 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.271 -7.655 -0.560 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.270 -5.630 -1.295 1.00 0.00 O ATOM 0 H ASP A 39 81.939 -7.488 0.190 1.00 0.00 H new ATOM 0 HA ASP A 39 84.723 -7.252 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.686 -7.253 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.826 -5.547 -0.905 1.00 0.00 H new ATOM 628 N ALA A 40 82.299 -5.500 2.121 1.00 0.00 N ATOM 629 CA ALA A 40 81.867 -4.273 2.846 1.00 0.00 C ATOM 630 C ALA A 40 81.870 -4.516 4.358 1.00 0.00 C ATOM 631 O ALA A 40 82.322 -5.541 4.830 1.00 0.00 O ATOM 632 CB ALA A 40 80.445 -4.002 2.354 1.00 0.00 C ATOM 0 H ALA A 40 81.617 -6.258 2.105 1.00 0.00 H new ATOM 0 HA ALA A 40 82.534 -3.431 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 40 80.054 -3.110 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.456 -3.848 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.809 -4.854 2.592 1.00 0.00 H new ATOM 638 N LEU A 41 81.358 -3.587 5.119 1.00 0.00 N ATOM 639 CA LEU A 41 81.320 -3.768 6.593 1.00 0.00 C ATOM 640 C LEU A 41 80.023 -4.464 6.986 1.00 0.00 C ATOM 641 O LEU A 41 79.995 -5.322 7.845 1.00 0.00 O ATOM 642 CB LEU A 41 81.348 -2.362 7.196 1.00 0.00 C ATOM 643 CG LEU A 41 82.324 -1.477 6.428 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.261 -0.054 6.983 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.741 -2.029 6.587 1.00 0.00 C ATOM 0 H LEU A 41 80.964 -2.709 4.780 1.00 0.00 H new ATOM 0 HA LEU A 41 82.156 -4.372 6.945 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.350 -1.926 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.641 -2.414 8.244 1.00 0.00 H new ATOM 0 HG LEU A 41 82.057 -1.466 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.958 0.581 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.249 0.336 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.531 -0.063 8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.441 -1.398 6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.011 -2.039 7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.782 -3.044 6.193 1.00 0.00 H new ATOM 657 N GLU A 42 78.943 -4.085 6.362 1.00 0.00 N ATOM 658 CA GLU A 42 77.634 -4.710 6.702 1.00 0.00 C ATOM 659 C GLU A 42 76.526 -4.161 5.800 1.00 0.00 C ATOM 660 O GLU A 42 76.696 -3.166 5.124 1.00 0.00 O ATOM 661 CB GLU A 42 77.389 -4.319 8.162 1.00 0.00 C ATOM 662 CG GLU A 42 76.933 -2.859 8.237 1.00 0.00 C ATOM 663 CD GLU A 42 75.420 -2.807 8.461 1.00 0.00 C ATOM 664 OE1 GLU A 42 74.692 -2.979 7.497 1.00 0.00 O ATOM 665 OE2 GLU A 42 75.015 -2.597 9.592 1.00 0.00 O ATOM 0 H GLU A 42 78.909 -3.372 5.634 1.00 0.00 H new ATOM 0 HA GLU A 42 77.640 -5.791 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.632 -4.969 8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 42 78.301 -4.455 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.449 -2.347 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 42 77.193 -2.338 7.316 1.00 0.00 H new ATOM 672 N ILE A 43 75.392 -4.804 5.789 1.00 0.00 N ATOM 673 CA ILE A 43 74.268 -4.324 4.934 1.00 0.00 C ATOM 674 C ILE A 43 72.999 -4.154 5.771 1.00 0.00 C ATOM 675 O ILE A 43 72.813 -4.810 6.778 1.00 0.00 O ATOM 676 CB ILE A 43 74.068 -5.419 3.887 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.211 -5.364 2.870 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.736 -5.201 3.167 1.00 0.00 C ATOM 679 CD1 ILE A 43 76.217 -6.476 3.172 1.00 0.00 C ATOM 0 H ILE A 43 75.194 -5.642 6.335 1.00 0.00 H new ATOM 0 HA ILE A 43 74.484 -3.357 4.480 1.00 0.00 H new ATOM 0 HB ILE A 43 74.061 -6.393 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.819 -5.479 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.703 -4.392 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.594 -5.982 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.921 -5.238 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.742 -4.227 2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 43 77.031 -6.437 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.618 -6.341 4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.720 -7.444 3.107 1.00 0.00 H new ATOM 691 N ARG A 44 72.122 -3.282 5.360 1.00 0.00 N ATOM 692 CA ARG A 44 70.864 -3.067 6.121 1.00 0.00 C ATOM 693 C ARG A 44 69.663 -3.261 5.184 1.00 0.00 C ATOM 694 O ARG A 44 69.764 -3.087 3.987 1.00 0.00 O ATOM 695 CB ARG A 44 70.970 -1.620 6.634 1.00 0.00 C ATOM 696 CG ARG A 44 69.621 -0.904 6.520 1.00 0.00 C ATOM 697 CD ARG A 44 69.547 0.221 7.554 1.00 0.00 C ATOM 698 NE ARG A 44 68.099 0.358 7.870 1.00 0.00 N ATOM 699 CZ ARG A 44 67.608 1.524 8.191 1.00 0.00 C ATOM 700 NH1 ARG A 44 67.794 2.002 9.391 1.00 0.00 N ATOM 701 NH2 ARG A 44 66.932 2.211 7.312 1.00 0.00 N ATOM 0 H ARG A 44 72.225 -2.706 4.524 1.00 0.00 H new ATOM 0 HA ARG A 44 70.725 -3.766 6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.300 -1.621 7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.723 -1.080 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 44 69.498 -0.497 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.808 -1.612 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.124 -0.024 8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.954 1.151 7.156 1.00 0.00 H new ATOM 0 HE ARG A 44 67.490 -0.460 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.323 1.464 10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 44 67.410 2.913 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 44 66.787 1.837 6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 44 66.548 3.122 7.563 1.00 0.00 H new ATOM 715 N LEU A 45 68.529 -3.617 5.723 1.00 0.00 N ATOM 716 CA LEU A 45 67.327 -3.818 4.865 1.00 0.00 C ATOM 717 C LEU A 45 66.476 -2.548 4.856 1.00 0.00 C ATOM 718 O LEU A 45 66.499 -1.770 5.789 1.00 0.00 O ATOM 719 CB LEU A 45 66.565 -4.974 5.513 1.00 0.00 C ATOM 720 CG LEU A 45 66.138 -5.972 4.437 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.162 -5.298 3.471 1.00 0.00 C ATOM 722 CD2 LEU A 45 67.371 -6.447 3.664 1.00 0.00 C ATOM 0 H LEU A 45 68.383 -3.777 6.720 1.00 0.00 H new ATOM 0 HA LEU A 45 67.586 -4.036 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.194 -5.468 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.690 -4.596 6.041 1.00 0.00 H new ATOM 0 HG LEU A 45 65.651 -6.826 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 45 64.858 -6.011 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.283 -4.959 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.648 -4.444 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.067 -7.159 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.857 -5.592 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.067 -6.929 4.350 1.00 0.00 H new ATOM 734 N VAL A 46 65.730 -2.326 3.811 1.00 0.00 N ATOM 735 CA VAL A 46 64.889 -1.099 3.754 1.00 0.00 C ATOM 736 C VAL A 46 63.643 -1.331 2.892 1.00 0.00 C ATOM 737 O VAL A 46 63.711 -1.865 1.791 1.00 0.00 O ATOM 738 CB VAL A 46 65.791 -0.032 3.138 1.00 0.00 C ATOM 739 CG1 VAL A 46 65.033 1.292 3.060 1.00 0.00 C ATOM 740 CG2 VAL A 46 67.034 0.141 4.014 1.00 0.00 C ATOM 0 H VAL A 46 65.666 -2.938 2.997 1.00 0.00 H new ATOM 0 HA VAL A 46 64.525 -0.805 4.739 1.00 0.00 H new ATOM 0 HB VAL A 46 66.089 -0.337 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.676 2.054 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 46 64.144 1.167 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.737 1.601 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.682 0.902 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.733 0.449 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.573 -0.805 4.072 1.00 0.00 H new ATOM 750 N SER A 47 62.504 -0.932 3.397 1.00 0.00 N ATOM 751 CA SER A 47 61.230 -1.113 2.647 1.00 0.00 C ATOM 752 C SER A 47 60.482 0.220 2.545 1.00 0.00 C ATOM 753 O SER A 47 61.081 1.273 2.459 1.00 0.00 O ATOM 754 CB SER A 47 60.431 -2.112 3.480 1.00 0.00 C ATOM 755 OG SER A 47 59.855 -1.440 4.594 1.00 0.00 O ATOM 0 H SER A 47 62.404 -0.484 4.308 1.00 0.00 H new ATOM 0 HA SER A 47 61.392 -1.463 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.650 -2.568 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 47 61.079 -2.918 3.822 1.00 0.00 H new ATOM 0 HG SER A 47 59.340 -2.078 5.130 1.00 0.00 H new ATOM 761 N GLN A 48 59.178 0.180 2.557 1.00 0.00 N ATOM 762 CA GLN A 48 58.392 1.446 2.461 1.00 0.00 C ATOM 763 C GLN A 48 57.820 1.817 3.832 1.00 0.00 C ATOM 764 O GLN A 48 58.338 1.424 4.859 1.00 0.00 O ATOM 765 CB GLN A 48 57.265 1.139 1.475 1.00 0.00 C ATOM 766 CG GLN A 48 56.256 0.193 2.129 1.00 0.00 C ATOM 767 CD GLN A 48 55.574 -0.650 1.051 1.00 0.00 C ATOM 768 OE1 GLN A 48 54.362 -0.673 0.957 1.00 0.00 O ATOM 769 NE2 GLN A 48 56.305 -1.350 0.227 1.00 0.00 N ATOM 0 H GLN A 48 58.622 -0.672 2.629 1.00 0.00 H new ATOM 0 HA GLN A 48 59.002 2.288 2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 48 56.771 2.062 1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 48 57.672 0.685 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 48 56.760 -0.454 2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 48 55.512 0.765 2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 48 57.322 -1.331 0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 48 55.859 -1.916 -0.495 1.00 0.00 H new ATOM 778 N ASP A 49 56.755 2.571 3.857 1.00 0.00 N ATOM 779 CA ASP A 49 56.151 2.967 5.162 1.00 0.00 C ATOM 780 C ASP A 49 55.949 1.734 6.048 1.00 0.00 C ATOM 781 O ASP A 49 55.892 1.831 7.257 1.00 0.00 O ATOM 782 CB ASP A 49 54.804 3.595 4.800 1.00 0.00 C ATOM 783 CG ASP A 49 55.036 4.934 4.100 1.00 0.00 C ATOM 784 OD1 ASP A 49 56.091 5.096 3.509 1.00 0.00 O ATOM 785 OD2 ASP A 49 54.155 5.776 4.165 1.00 0.00 O ATOM 0 H ASP A 49 56.277 2.930 3.031 1.00 0.00 H new ATOM 0 HA ASP A 49 56.786 3.656 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 49 54.242 2.925 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 49 54.206 3.742 5.699 1.00 0.00 H new ATOM 790 N GLY A 50 55.839 0.577 5.455 1.00 0.00 N ATOM 791 CA GLY A 50 55.640 -0.658 6.265 1.00 0.00 C ATOM 792 C GLY A 50 55.420 -1.851 5.334 1.00 0.00 C ATOM 793 O GLY A 50 54.416 -2.531 5.407 1.00 0.00 O ATOM 0 H GLY A 50 55.878 0.433 4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.509 -0.834 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.782 -0.537 6.927 1.00 0.00 H new ATOM 797 N LYS A 51 56.354 -2.113 4.460 1.00 0.00 N ATOM 798 CA LYS A 51 56.200 -3.262 3.524 1.00 0.00 C ATOM 799 C LYS A 51 57.467 -3.407 2.684 1.00 0.00 C ATOM 800 O LYS A 51 57.808 -2.529 1.915 1.00 0.00 O ATOM 801 CB LYS A 51 55.003 -2.903 2.642 1.00 0.00 C ATOM 802 CG LYS A 51 53.839 -3.847 2.952 1.00 0.00 C ATOM 803 CD LYS A 51 53.169 -4.277 1.645 1.00 0.00 C ATOM 804 CE LYS A 51 53.637 -5.687 1.272 1.00 0.00 C ATOM 805 NZ LYS A 51 52.646 -6.165 0.268 1.00 0.00 N ATOM 0 H LYS A 51 57.217 -1.580 4.354 1.00 0.00 H new ATOM 0 HA LYS A 51 56.044 -4.208 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.704 -1.870 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.277 -2.980 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.200 -4.722 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 51 53.115 -3.349 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.085 -4.260 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 51 53.419 -3.577 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 51 54.645 -5.672 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 51 53.661 -6.339 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 52.898 -7.127 -0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 51.697 -6.174 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 52.650 -5.528 -0.554 1.00 0.00 H new ATOM 819 N SER A 52 58.168 -4.501 2.838 1.00 0.00 N ATOM 820 CA SER A 52 59.428 -4.712 2.065 1.00 0.00 C ATOM 821 C SER A 52 59.318 -4.102 0.668 1.00 0.00 C ATOM 822 O SER A 52 58.372 -4.338 -0.057 1.00 0.00 O ATOM 823 CB SER A 52 59.597 -6.226 1.982 1.00 0.00 C ATOM 824 OG SER A 52 59.841 -6.605 0.633 1.00 0.00 O ATOM 0 H SER A 52 57.920 -5.262 3.470 1.00 0.00 H new ATOM 0 HA SER A 52 60.282 -4.233 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 52 60.425 -6.545 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.701 -6.723 2.354 1.00 0.00 H new ATOM 0 HG SER A 52 59.053 -7.064 0.275 1.00 0.00 H new ATOM 830 N LYS A 53 60.285 -3.319 0.293 1.00 0.00 N ATOM 831 CA LYS A 53 60.258 -2.684 -1.053 1.00 0.00 C ATOM 832 C LYS A 53 61.472 -3.138 -1.858 1.00 0.00 C ATOM 833 O LYS A 53 61.562 -2.920 -3.049 1.00 0.00 O ATOM 834 CB LYS A 53 60.321 -1.180 -0.786 1.00 0.00 C ATOM 835 CG LYS A 53 59.663 -0.427 -1.945 1.00 0.00 C ATOM 836 CD LYS A 53 60.717 0.404 -2.679 1.00 0.00 C ATOM 837 CE LYS A 53 60.391 0.436 -4.174 1.00 0.00 C ATOM 838 NZ LYS A 53 59.867 1.807 -4.424 1.00 0.00 N ATOM 0 H LYS A 53 61.099 -3.089 0.863 1.00 0.00 H new ATOM 0 HA LYS A 53 59.370 -2.954 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.813 -0.944 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.358 -0.863 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.197 -1.133 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.871 0.221 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 53 60.740 1.418 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 53 61.707 -0.023 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 53 61.278 0.236 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.652 -0.322 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 59.621 1.907 -5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.019 1.966 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 60.594 2.507 -4.175 1.00 0.00 H new ATOM 852 N GLY A 54 62.408 -3.777 -1.211 1.00 0.00 N ATOM 853 CA GLY A 54 63.615 -4.253 -1.932 1.00 0.00 C ATOM 854 C GLY A 54 64.747 -3.238 -1.771 1.00 0.00 C ATOM 855 O GLY A 54 65.590 -3.100 -2.634 1.00 0.00 O ATOM 0 H GLY A 54 62.386 -3.989 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.925 -5.222 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.387 -4.393 -2.989 1.00 0.00 H new ATOM 859 N ILE A 55 64.784 -2.525 -0.675 1.00 0.00 N ATOM 860 CA ILE A 55 65.877 -1.533 -0.486 1.00 0.00 C ATOM 861 C ILE A 55 66.790 -1.981 0.657 1.00 0.00 C ATOM 862 O ILE A 55 66.386 -2.726 1.525 1.00 0.00 O ATOM 863 CB ILE A 55 65.166 -0.225 -0.136 1.00 0.00 C ATOM 864 CG1 ILE A 55 64.032 0.018 -1.135 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.163 0.933 -0.206 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.557 -0.165 -2.560 1.00 0.00 C ATOM 0 H ILE A 55 64.111 -2.587 0.089 1.00 0.00 H new ATOM 0 HA ILE A 55 66.505 -1.424 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 55 64.757 -0.291 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 55 63.213 -0.676 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.633 1.025 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.656 1.865 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.973 0.759 0.503 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.572 1.001 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.749 0.008 -3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 55 65.362 0.546 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.935 -1.180 -2.681 1.00 0.00 H new ATOM 878 N ALA A 56 68.018 -1.539 0.666 1.00 0.00 N ATOM 879 CA ALA A 56 68.942 -1.954 1.760 1.00 0.00 C ATOM 880 C ALA A 56 70.176 -1.051 1.784 1.00 0.00 C ATOM 881 O ALA A 56 70.613 -0.555 0.765 1.00 0.00 O ATOM 882 CB ALA A 56 69.333 -3.393 1.424 1.00 0.00 C ATOM 0 H ALA A 56 68.420 -0.913 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 56 68.478 -1.878 2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.015 -3.772 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.439 -4.016 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.825 -3.419 0.451 1.00 0.00 H new ATOM 888 N TYR A 57 70.745 -0.838 2.937 1.00 0.00 N ATOM 889 CA TYR A 57 71.955 0.031 3.019 1.00 0.00 C ATOM 890 C TYR A 57 73.214 -0.835 3.080 1.00 0.00 C ATOM 891 O TYR A 57 73.283 -1.796 3.820 1.00 0.00 O ATOM 892 CB TYR A 57 71.786 0.831 4.311 1.00 0.00 C ATOM 893 CG TYR A 57 71.232 2.197 3.988 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.090 3.216 3.557 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.860 2.446 4.117 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.576 4.483 3.256 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.347 3.712 3.816 1.00 0.00 C ATOM 898 CZ TYR A 57 70.205 4.731 3.385 1.00 0.00 C ATOM 899 OH TYR A 57 69.699 5.980 3.088 1.00 0.00 O ATOM 0 H TYR A 57 70.427 -1.226 3.825 1.00 0.00 H new ATOM 0 HA TYR A 57 72.058 0.684 2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 57 71.115 0.306 4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.745 0.927 4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.148 3.025 3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.198 1.660 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.238 5.269 2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.289 3.904 3.916 1.00 0.00 H new ATOM 0 HH TYR A 57 70.286 6.426 2.443 1.00 0.00 H new ATOM 909 N ILE A 58 74.208 -0.507 2.303 1.00 0.00 N ATOM 910 CA ILE A 58 75.461 -1.320 2.314 1.00 0.00 C ATOM 911 C ILE A 58 76.656 -0.426 2.656 1.00 0.00 C ATOM 912 O ILE A 58 76.980 0.495 1.933 1.00 0.00 O ATOM 913 CB ILE A 58 75.611 -1.889 0.893 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.241 -2.023 0.215 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.268 -3.266 0.965 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.365 -2.975 1.024 1.00 0.00 C ATOM 0 H ILE A 58 74.210 0.286 1.662 1.00 0.00 H new ATOM 0 HA ILE A 58 75.420 -2.116 3.057 1.00 0.00 H new ATOM 0 HB ILE A 58 76.229 -1.206 0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.763 -1.046 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.361 -2.397 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.375 -3.671 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.251 -3.176 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.647 -3.935 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.391 -3.071 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.842 -3.954 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.235 -2.581 2.032 1.00 0.00 H new ATOM 928 N GLU A 59 77.314 -0.688 3.753 1.00 0.00 N ATOM 929 CA GLU A 59 78.487 0.155 4.134 1.00 0.00 C ATOM 930 C GLU A 59 79.782 -0.633 3.943 1.00 0.00 C ATOM 931 O GLU A 59 79.940 -1.718 4.466 1.00 0.00 O ATOM 932 CB GLU A 59 78.292 0.487 5.618 1.00 0.00 C ATOM 933 CG GLU A 59 76.814 0.763 5.907 1.00 0.00 C ATOM 934 CD GLU A 59 76.674 2.119 6.602 1.00 0.00 C ATOM 935 OE1 GLU A 59 76.582 3.113 5.902 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.660 2.137 7.821 1.00 0.00 O ATOM 0 H GLU A 59 77.093 -1.445 4.400 1.00 0.00 H new ATOM 0 HA GLU A 59 78.554 1.054 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.642 -0.342 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.891 1.357 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.244 0.758 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.403 -0.025 6.538 1.00 0.00 H new ATOM 943 N PHE A 60 80.716 -0.100 3.205 1.00 0.00 N ATOM 944 CA PHE A 60 81.994 -0.835 3.004 1.00 0.00 C ATOM 945 C PHE A 60 83.114 -0.184 3.808 1.00 0.00 C ATOM 946 O PHE A 60 82.949 0.862 4.403 1.00 0.00 O ATOM 947 CB PHE A 60 82.303 -0.737 1.513 1.00 0.00 C ATOM 948 CG PHE A 60 81.300 -1.546 0.729 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.959 -1.150 0.684 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.715 -2.694 0.042 1.00 0.00 C ATOM 951 CE1 PHE A 60 79.034 -1.902 -0.048 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.789 -3.445 -0.688 1.00 0.00 C ATOM 953 CZ PHE A 60 79.448 -3.050 -0.734 1.00 0.00 C ATOM 0 H PHE A 60 80.650 0.804 2.737 1.00 0.00 H new ATOM 0 HA PHE A 60 81.912 -1.870 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 60 82.273 0.305 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.311 -1.102 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.638 -0.265 1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.750 -2.999 0.076 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.999 -1.596 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 60 81.109 -4.331 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.733 -3.630 -1.298 1.00 0.00 H new ATOM 963 N LYS A 61 84.253 -0.803 3.820 1.00 0.00 N ATOM 964 CA LYS A 61 85.406 -0.240 4.579 1.00 0.00 C ATOM 965 C LYS A 61 85.693 1.189 4.113 1.00 0.00 C ATOM 966 O LYS A 61 86.362 1.949 4.785 1.00 0.00 O ATOM 967 CB LYS A 61 86.583 -1.159 4.252 1.00 0.00 C ATOM 968 CG LYS A 61 87.777 -0.793 5.136 1.00 0.00 C ATOM 969 CD LYS A 61 88.173 -2.002 5.987 1.00 0.00 C ATOM 970 CE LYS A 61 89.648 -2.332 5.750 1.00 0.00 C ATOM 971 NZ LYS A 61 89.749 -2.610 4.290 1.00 0.00 N ATOM 0 H LYS A 61 84.442 -1.681 3.335 1.00 0.00 H new ATOM 0 HA LYS A 61 85.214 -0.193 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 61 86.302 -2.199 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.852 -1.062 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 61 88.618 -0.479 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.522 0.050 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.002 -1.789 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.552 -2.860 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 61 90.290 -1.500 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.959 -3.195 6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.402 -3.404 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 88.810 -2.856 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.106 -1.765 3.800 1.00 0.00 H new ATOM 985 N SER A 62 85.192 1.558 2.967 1.00 0.00 N ATOM 986 CA SER A 62 85.434 2.938 2.457 1.00 0.00 C ATOM 987 C SER A 62 84.799 3.107 1.074 1.00 0.00 C ATOM 988 O SER A 62 84.138 2.221 0.570 1.00 0.00 O ATOM 989 CB SER A 62 86.953 3.068 2.367 1.00 0.00 C ATOM 990 OG SER A 62 87.280 4.165 1.522 1.00 0.00 O ATOM 0 H SER A 62 84.626 0.964 2.361 1.00 0.00 H new ATOM 0 HA SER A 62 84.998 3.700 3.104 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.376 3.220 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.386 2.148 1.973 1.00 0.00 H new ATOM 0 HG SER A 62 88.254 4.253 1.463 1.00 0.00 H new ATOM 996 N GLU A 63 84.994 4.240 0.458 1.00 0.00 N ATOM 997 CA GLU A 63 84.402 4.468 -0.892 1.00 0.00 C ATOM 998 C GLU A 63 85.019 3.508 -1.910 1.00 0.00 C ATOM 999 O GLU A 63 84.335 2.964 -2.755 1.00 0.00 O ATOM 1000 CB GLU A 63 84.749 5.916 -1.237 1.00 0.00 C ATOM 1001 CG GLU A 63 84.057 6.857 -0.249 1.00 0.00 C ATOM 1002 CD GLU A 63 85.112 7.633 0.542 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.161 7.905 -0.017 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.853 7.940 1.693 1.00 0.00 O ATOM 0 H GLU A 63 85.538 5.019 0.830 1.00 0.00 H new ATOM 0 HA GLU A 63 83.326 4.293 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.829 6.061 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.433 6.144 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.407 7.549 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.424 6.286 0.431 1.00 0.00 H new ATOM 1011 N ALA A 64 86.303 3.293 -1.839 1.00 0.00 N ATOM 1012 CA ALA A 64 86.950 2.368 -2.806 1.00 0.00 C ATOM 1013 C ALA A 64 86.379 0.962 -2.636 1.00 0.00 C ATOM 1014 O ALA A 64 86.154 0.251 -3.596 1.00 0.00 O ATOM 1015 CB ALA A 64 88.438 2.395 -2.456 1.00 0.00 C ATOM 0 H ALA A 64 86.929 3.717 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 64 86.779 2.661 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.982 1.734 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.818 3.411 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.576 2.059 -1.428 1.00 0.00 H new ATOM 1021 N ASP A 65 86.127 0.560 -1.422 1.00 0.00 N ATOM 1022 CA ASP A 65 85.553 -0.793 -1.196 1.00 0.00 C ATOM 1023 C ASP A 65 84.109 -0.811 -1.692 1.00 0.00 C ATOM 1024 O ASP A 65 83.719 -1.647 -2.484 1.00 0.00 O ATOM 1025 CB ASP A 65 85.608 -1.005 0.317 1.00 0.00 C ATOM 1026 CG ASP A 65 87.035 -1.367 0.732 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.849 -0.463 0.832 1.00 0.00 O ATOM 1028 OD2 ASP A 65 87.290 -2.542 0.943 1.00 0.00 O ATOM 0 H ASP A 65 86.294 1.109 -0.579 1.00 0.00 H new ATOM 0 HA ASP A 65 86.094 -1.577 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.287 -0.100 0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.921 -1.799 0.608 1.00 0.00 H new ATOM 1033 N ALA A 66 83.314 0.120 -1.239 1.00 0.00 N ATOM 1034 CA ALA A 66 81.896 0.176 -1.686 1.00 0.00 C ATOM 1035 C ALA A 66 81.828 0.466 -3.186 1.00 0.00 C ATOM 1036 O ALA A 66 80.925 0.025 -3.870 1.00 0.00 O ATOM 1037 CB ALA A 66 81.277 1.323 -0.885 1.00 0.00 C ATOM 0 H ALA A 66 83.588 0.846 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 66 81.370 -0.765 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.227 1.431 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.356 1.107 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.807 2.249 -1.107 1.00 0.00 H new ATOM 1043 N GLU A 67 82.774 1.200 -3.708 1.00 0.00 N ATOM 1044 CA GLU A 67 82.755 1.507 -5.164 1.00 0.00 C ATOM 1045 C GLU A 67 83.175 0.273 -5.965 1.00 0.00 C ATOM 1046 O GLU A 67 82.504 -0.139 -6.894 1.00 0.00 O ATOM 1047 CB GLU A 67 83.768 2.637 -5.345 1.00 0.00 C ATOM 1048 CG GLU A 67 83.161 3.953 -4.855 1.00 0.00 C ATOM 1049 CD GLU A 67 82.228 4.515 -5.929 1.00 0.00 C ATOM 1050 OE1 GLU A 67 81.852 3.762 -6.813 1.00 0.00 O ATOM 1051 OE2 GLU A 67 81.904 5.689 -5.850 1.00 0.00 O ATOM 0 H GLU A 67 83.556 1.599 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 67 81.763 1.792 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.679 2.415 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.049 2.723 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.610 3.789 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.951 4.670 -4.633 1.00 0.00 H new ATOM 1058 N LYS A 68 84.280 -0.325 -5.606 1.00 0.00 N ATOM 1059 CA LYS A 68 84.745 -1.534 -6.338 1.00 0.00 C ATOM 1060 C LYS A 68 83.694 -2.634 -6.228 1.00 0.00 C ATOM 1061 O LYS A 68 83.406 -3.329 -7.182 1.00 0.00 O ATOM 1062 CB LYS A 68 86.038 -1.951 -5.635 1.00 0.00 C ATOM 1063 CG LYS A 68 86.729 -3.051 -6.443 1.00 0.00 C ATOM 1064 CD LYS A 68 86.866 -2.605 -7.900 1.00 0.00 C ATOM 1065 CE LYS A 68 88.108 -3.251 -8.516 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.604 -4.003 -9.699 1.00 0.00 N ATOM 0 H LYS A 68 84.879 -0.026 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 68 84.907 -1.346 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.700 -1.092 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.818 -2.308 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 68 87.712 -3.263 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 68 86.153 -3.975 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.977 -2.889 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.943 -1.519 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.840 -2.499 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 68 88.601 -3.916 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.399 -4.475 -10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 86.914 -4.717 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.146 -3.344 -10.360 1.00 0.00 H new ATOM 1080 N ASN A 69 83.112 -2.793 -5.072 1.00 0.00 N ATOM 1081 CA ASN A 69 82.072 -3.844 -4.901 1.00 0.00 C ATOM 1082 C ASN A 69 80.769 -3.400 -5.567 1.00 0.00 C ATOM 1083 O ASN A 69 80.174 -4.127 -6.339 1.00 0.00 O ATOM 1084 CB ASN A 69 81.889 -3.972 -3.391 1.00 0.00 C ATOM 1085 CG ASN A 69 82.670 -5.185 -2.885 1.00 0.00 C ATOM 1086 OD1 ASN A 69 82.142 -6.004 -2.159 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.916 -5.335 -3.240 1.00 0.00 N ATOM 0 H ASN A 69 83.312 -2.240 -4.238 1.00 0.00 H new ATOM 0 HA ASN A 69 82.356 -4.792 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 69 82.239 -3.067 -2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.832 -4.080 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 69 84.447 -6.140 -2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 69 84.359 -4.647 -3.849 1.00 0.00 H new ATOM 1094 N LEU A 70 80.323 -2.208 -5.278 1.00 0.00 N ATOM 1095 CA LEU A 70 79.060 -1.716 -5.899 1.00 0.00 C ATOM 1096 C LEU A 70 79.121 -1.895 -7.413 1.00 0.00 C ATOM 1097 O LEU A 70 78.173 -2.325 -8.039 1.00 0.00 O ATOM 1098 CB LEU A 70 78.988 -0.233 -5.534 1.00 0.00 C ATOM 1099 CG LEU A 70 77.918 0.450 -6.388 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.903 1.142 -5.476 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.579 1.491 -7.295 1.00 0.00 C ATOM 0 H LEU A 70 80.777 -1.555 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 70 78.184 -2.261 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.752 -0.119 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.956 0.240 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 70 77.409 -0.296 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.140 1.629 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.433 0.403 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.412 1.888 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.818 1.979 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 70 79.087 2.237 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.304 1.000 -7.944 1.00 0.00 H new ATOM 1113 N GLU A 71 80.234 -1.571 -8.008 1.00 0.00 N ATOM 1114 CA GLU A 71 80.360 -1.726 -9.485 1.00 0.00 C ATOM 1115 C GLU A 71 80.704 -3.176 -9.837 1.00 0.00 C ATOM 1116 O GLU A 71 80.293 -3.691 -10.857 1.00 0.00 O ATOM 1117 CB GLU A 71 81.501 -0.789 -9.886 1.00 0.00 C ATOM 1118 CG GLU A 71 82.817 -1.302 -9.301 1.00 0.00 C ATOM 1119 CD GLU A 71 83.409 -2.367 -10.226 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.794 -2.649 -11.242 1.00 0.00 O ATOM 1121 OE2 GLU A 71 84.466 -2.883 -9.904 1.00 0.00 O ATOM 0 H GLU A 71 81.062 -1.206 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 71 79.434 -1.485 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.573 -0.731 -10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.300 0.220 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.520 -0.477 -9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.647 -1.721 -8.309 1.00 0.00 H new ATOM 1128 N GLU A 72 81.464 -3.834 -9.005 1.00 0.00 N ATOM 1129 CA GLU A 72 81.843 -5.242 -9.292 1.00 0.00 C ATOM 1130 C GLU A 72 80.624 -6.164 -9.201 1.00 0.00 C ATOM 1131 O GLU A 72 80.611 -7.243 -9.759 1.00 0.00 O ATOM 1132 CB GLU A 72 82.868 -5.607 -8.220 1.00 0.00 C ATOM 1133 CG GLU A 72 83.195 -7.098 -8.311 1.00 0.00 C ATOM 1134 CD GLU A 72 84.465 -7.393 -7.511 1.00 0.00 C ATOM 1135 OE1 GLU A 72 85.441 -6.688 -7.705 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.440 -8.320 -6.718 1.00 0.00 O ATOM 0 H GLU A 72 81.839 -3.454 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 72 82.244 -5.354 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.775 -5.017 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.475 -5.370 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.364 -7.687 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.333 -7.388 -9.353 1.00 0.00 H new ATOM 1143 N LYS A 73 79.600 -5.758 -8.499 1.00 0.00 N ATOM 1144 CA LYS A 73 78.397 -6.628 -8.380 1.00 0.00 C ATOM 1145 C LYS A 73 77.192 -5.953 -9.031 1.00 0.00 C ATOM 1146 O LYS A 73 76.684 -6.409 -10.037 1.00 0.00 O ATOM 1147 CB LYS A 73 78.173 -6.791 -6.877 1.00 0.00 C ATOM 1148 CG LYS A 73 79.070 -7.909 -6.344 1.00 0.00 C ATOM 1149 CD LYS A 73 80.075 -7.328 -5.347 1.00 0.00 C ATOM 1150 CE LYS A 73 81.489 -7.776 -5.725 1.00 0.00 C ATOM 1151 NZ LYS A 73 82.108 -8.215 -4.443 1.00 0.00 N ATOM 0 H LYS A 73 79.545 -4.867 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 73 78.531 -7.588 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.395 -5.856 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.127 -7.024 -6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 73 78.465 -8.676 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.596 -8.391 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 73 80.015 -6.240 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.835 -7.661 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 73 81.465 -8.589 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 73 82.054 -6.961 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 83.143 -8.229 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 81.843 -7.554 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.771 -9.169 -4.204 1.00 0.00 H new ATOM 1165 N GLN A 74 76.739 -4.870 -8.459 1.00 0.00 N ATOM 1166 CA GLN A 74 75.561 -4.144 -9.027 1.00 0.00 C ATOM 1167 C GLN A 74 74.554 -5.138 -9.618 1.00 0.00 C ATOM 1168 O GLN A 74 74.640 -5.503 -10.773 1.00 0.00 O ATOM 1169 CB GLN A 74 76.139 -3.252 -10.126 1.00 0.00 C ATOM 1170 CG GLN A 74 75.007 -2.479 -10.805 1.00 0.00 C ATOM 1171 CD GLN A 74 74.564 -1.324 -9.904 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.443 -1.299 -9.436 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.403 -0.361 -9.638 1.00 0.00 N ATOM 0 H GLN A 74 77.136 -4.453 -7.617 1.00 0.00 H new ATOM 0 HA GLN A 74 75.029 -3.569 -8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.864 -2.558 -9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.670 -3.859 -10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.342 -2.095 -11.768 1.00 0.00 H new ATOM 0 HG3 GLN A 74 74.166 -3.144 -11.002 1.00 0.00 H new ATOM 0 HE21 GLN A 74 76.344 -0.382 -10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 74 75.118 0.412 -9.037 1.00 0.00 H new ATOM 1182 N GLY A 75 73.607 -5.585 -8.838 1.00 0.00 N ATOM 1183 CA GLY A 75 72.612 -6.561 -9.368 1.00 0.00 C ATOM 1184 C GLY A 75 72.891 -7.943 -8.773 1.00 0.00 C ATOM 1185 O GLY A 75 72.100 -8.481 -8.024 1.00 0.00 O ATOM 0 H GLY A 75 73.480 -5.318 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.601 -6.241 -9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.670 -6.602 -10.456 1.00 0.00 H new ATOM 1189 N ALA A 76 74.015 -8.519 -9.101 1.00 0.00 N ATOM 1190 CA ALA A 76 74.361 -9.867 -8.559 1.00 0.00 C ATOM 1191 C ALA A 76 73.296 -10.892 -8.944 1.00 0.00 C ATOM 1192 O ALA A 76 73.241 -11.976 -8.399 1.00 0.00 O ATOM 1193 CB ALA A 76 74.417 -9.687 -7.042 1.00 0.00 C ATOM 0 H ALA A 76 74.713 -8.113 -9.724 1.00 0.00 H new ATOM 0 HA ALA A 76 75.305 -10.237 -8.958 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.667 -10.638 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.177 -8.947 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.447 -9.347 -6.680 1.00 0.00 H new ATOM 1199 N GLU A 77 72.466 -10.551 -9.891 1.00 0.00 N ATOM 1200 CA GLU A 77 71.391 -11.487 -10.354 1.00 0.00 C ATOM 1201 C GLU A 77 70.904 -12.385 -9.210 1.00 0.00 C ATOM 1202 O GLU A 77 71.328 -13.515 -9.076 1.00 0.00 O ATOM 1203 CB GLU A 77 72.049 -12.328 -11.447 1.00 0.00 C ATOM 1204 CG GLU A 77 71.471 -11.941 -12.809 1.00 0.00 C ATOM 1205 CD GLU A 77 72.217 -10.721 -13.352 1.00 0.00 C ATOM 1206 OE1 GLU A 77 73.363 -10.534 -12.974 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.631 -9.994 -14.137 1.00 0.00 O ATOM 0 H GLU A 77 72.484 -9.652 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 77 70.514 -10.947 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.128 -12.172 -11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 77 71.879 -13.388 -11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.562 -12.775 -13.505 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.408 -11.718 -12.715 1.00 0.00 H new ATOM 1214 N ILE A 78 70.015 -11.897 -8.387 1.00 0.00 N ATOM 1215 CA ILE A 78 69.508 -12.736 -7.261 1.00 0.00 C ATOM 1216 C ILE A 78 67.981 -12.776 -7.287 1.00 0.00 C ATOM 1217 O ILE A 78 67.343 -11.984 -7.948 1.00 0.00 O ATOM 1218 CB ILE A 78 69.983 -12.048 -5.980 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.381 -11.456 -6.183 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.030 -13.072 -4.844 1.00 0.00 C ATOM 1221 CD1 ILE A 78 71.761 -10.620 -4.960 1.00 0.00 C ATOM 0 H ILE A 78 69.619 -10.959 -8.444 1.00 0.00 H new ATOM 0 HA ILE A 78 69.871 -13.761 -7.330 1.00 0.00 H new ATOM 0 HB ILE A 78 69.289 -11.245 -5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.108 -12.254 -6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.399 -10.837 -7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.368 -12.585 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.035 -13.488 -4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.721 -13.874 -5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 78 72.756 -10.198 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.039 -9.813 -4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.759 -11.252 -4.072 1.00 0.00 H new ATOM 1233 N ASP A 79 67.390 -13.688 -6.568 1.00 0.00 N ATOM 1234 CA ASP A 79 65.903 -13.773 -6.549 1.00 0.00 C ATOM 1235 C ASP A 79 65.346 -13.569 -7.962 1.00 0.00 C ATOM 1236 O ASP A 79 64.347 -12.905 -8.156 1.00 0.00 O ATOM 1237 CB ASP A 79 65.455 -12.638 -5.628 1.00 0.00 C ATOM 1238 CG ASP A 79 64.074 -12.961 -5.055 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.168 -13.188 -5.840 1.00 0.00 O ATOM 1240 OD2 ASP A 79 63.946 -12.976 -3.842 1.00 0.00 O ATOM 0 H ASP A 79 67.872 -14.379 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 79 65.547 -14.744 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.174 -12.506 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.421 -11.699 -6.181 1.00 0.00 H new ATOM 1245 N GLY A 80 65.986 -14.134 -8.948 1.00 0.00 N ATOM 1246 CA GLY A 80 65.500 -13.974 -10.341 1.00 0.00 C ATOM 1247 C GLY A 80 65.555 -12.497 -10.738 1.00 0.00 C ATOM 1248 O GLY A 80 64.754 -12.023 -11.518 1.00 0.00 O ATOM 0 H GLY A 80 66.828 -14.701 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.112 -14.567 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.479 -14.346 -10.425 1.00 0.00 H new ATOM 1252 N ARG A 81 66.497 -11.764 -10.205 1.00 0.00 N ATOM 1253 CA ARG A 81 66.604 -10.316 -10.551 1.00 0.00 C ATOM 1254 C ARG A 81 67.887 -9.728 -9.958 1.00 0.00 C ATOM 1255 O ARG A 81 68.317 -10.104 -8.887 1.00 0.00 O ATOM 1256 CB ARG A 81 65.372 -9.666 -9.921 1.00 0.00 C ATOM 1257 CG ARG A 81 65.391 -9.891 -8.408 1.00 0.00 C ATOM 1258 CD ARG A 81 64.542 -8.820 -7.722 1.00 0.00 C ATOM 1259 NE ARG A 81 63.142 -9.317 -7.823 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.190 -8.515 -8.212 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.923 -8.387 -9.483 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.506 -7.838 -7.331 1.00 0.00 N ATOM 0 H ARG A 81 67.196 -12.105 -9.546 1.00 0.00 H new ATOM 0 HA ARG A 81 66.645 -10.148 -11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.359 -8.598 -10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.465 -10.090 -10.351 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.005 -10.883 -8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.415 -9.851 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.840 -8.686 -6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.654 -7.853 -8.212 1.00 0.00 H new ATOM 0 HE ARG A 81 62.927 -10.286 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.459 -8.914 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.178 -7.760 -9.787 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.716 -7.936 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.762 -7.211 -7.636 1.00 0.00 H new ATOM 1276 N SER A 82 68.506 -8.808 -10.643 1.00 0.00 N ATOM 1277 CA SER A 82 69.760 -8.205 -10.110 1.00 0.00 C ATOM 1278 C SER A 82 69.436 -7.119 -9.081 1.00 0.00 C ATOM 1279 O SER A 82 68.647 -6.229 -9.330 1.00 0.00 O ATOM 1280 CB SER A 82 70.456 -7.597 -11.325 1.00 0.00 C ATOM 1281 OG SER A 82 69.502 -7.395 -12.361 1.00 0.00 O ATOM 0 H SER A 82 68.199 -8.448 -11.547 1.00 0.00 H new ATOM 0 HA SER A 82 70.386 -8.941 -9.606 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.923 -6.650 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.251 -8.257 -11.671 1.00 0.00 H new ATOM 0 HG SER A 82 68.809 -6.776 -12.051 1.00 0.00 H new ATOM 1287 N VAL A 83 70.042 -7.185 -7.928 1.00 0.00 N ATOM 1288 CA VAL A 83 69.775 -6.154 -6.884 1.00 0.00 C ATOM 1289 C VAL A 83 70.373 -4.811 -7.308 1.00 0.00 C ATOM 1290 O VAL A 83 71.531 -4.721 -7.667 1.00 0.00 O ATOM 1291 CB VAL A 83 70.461 -6.679 -5.623 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.590 -5.546 -4.603 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.626 -7.811 -5.024 1.00 0.00 C ATOM 0 H VAL A 83 70.711 -7.908 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 83 68.709 -5.990 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 83 71.453 -7.053 -5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 83 71.079 -5.920 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.184 -4.738 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.599 -5.172 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.114 -8.186 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.635 -7.436 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.533 -8.618 -5.750 1.00 0.00 H new ATOM 1303 N SER A 84 69.596 -3.764 -7.269 1.00 0.00 N ATOM 1304 CA SER A 84 70.124 -2.432 -7.672 1.00 0.00 C ATOM 1305 C SER A 84 71.057 -1.891 -6.589 1.00 0.00 C ATOM 1306 O SER A 84 70.828 -2.078 -5.411 1.00 0.00 O ATOM 1307 CB SER A 84 68.892 -1.541 -7.815 1.00 0.00 C ATOM 1308 OG SER A 84 67.999 -2.122 -8.755 1.00 0.00 O ATOM 0 H SER A 84 68.619 -3.774 -6.976 1.00 0.00 H new ATOM 0 HA SER A 84 70.699 -2.476 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.398 -1.426 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.186 -0.544 -8.143 1.00 0.00 H new ATOM 0 HG SER A 84 67.610 -1.418 -9.315 1.00 0.00 H new ATOM 1314 N LEU A 85 72.108 -1.226 -6.976 1.00 0.00 N ATOM 1315 CA LEU A 85 73.054 -0.679 -5.966 1.00 0.00 C ATOM 1316 C LEU A 85 73.157 0.842 -6.106 1.00 0.00 C ATOM 1317 O LEU A 85 73.498 1.356 -7.152 1.00 0.00 O ATOM 1318 CB LEU A 85 74.395 -1.343 -6.283 1.00 0.00 C ATOM 1319 CG LEU A 85 74.641 -2.484 -5.296 1.00 0.00 C ATOM 1320 CD1 LEU A 85 74.578 -3.824 -6.030 1.00 0.00 C ATOM 1321 CD2 LEU A 85 76.022 -2.315 -4.659 1.00 0.00 C ATOM 0 H LEU A 85 72.353 -1.038 -7.948 1.00 0.00 H new ATOM 0 HA LEU A 85 72.732 -0.880 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.392 -1.725 -7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.200 -0.611 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 85 73.875 -2.463 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 85 74.754 -4.635 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 85 73.594 -3.945 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 85 75.341 -3.849 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 85 76.200 -3.128 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 85 76.786 -2.335 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 85 76.065 -1.362 -4.132 1.00 0.00 H new ATOM 1333 N TYR A 86 72.870 1.565 -5.059 1.00 0.00 N ATOM 1334 CA TYR A 86 72.960 3.050 -5.135 1.00 0.00 C ATOM 1335 C TYR A 86 74.113 3.538 -4.262 1.00 0.00 C ATOM 1336 O TYR A 86 74.010 3.597 -3.056 1.00 0.00 O ATOM 1337 CB TYR A 86 71.627 3.566 -4.594 1.00 0.00 C ATOM 1338 CG TYR A 86 70.563 3.427 -5.653 1.00 0.00 C ATOM 1339 CD1 TYR A 86 70.107 2.157 -6.027 1.00 0.00 C ATOM 1340 CD2 TYR A 86 70.030 4.570 -6.263 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.118 2.030 -7.010 1.00 0.00 C ATOM 1342 CE2 TYR A 86 69.041 4.441 -7.246 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.585 3.171 -7.619 1.00 0.00 C ATOM 1344 OH TYR A 86 67.611 3.046 -8.588 1.00 0.00 O ATOM 0 H TYR A 86 72.578 1.192 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 86 73.144 3.403 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 86 71.343 3.005 -3.703 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.724 4.610 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.518 1.276 -5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 86 70.382 5.550 -5.975 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.766 1.050 -7.298 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.630 5.322 -7.717 1.00 0.00 H new ATOM 0 HH TYR A 86 67.350 3.935 -8.906 1.00 0.00 H new ATOM 1354 N TYR A 87 75.214 3.874 -4.866 1.00 0.00 N ATOM 1355 CA TYR A 87 76.382 4.345 -4.079 1.00 0.00 C ATOM 1356 C TYR A 87 75.958 5.349 -3.014 1.00 0.00 C ATOM 1357 O TYR A 87 74.817 5.749 -2.935 1.00 0.00 O ATOM 1358 CB TYR A 87 77.299 5.031 -5.084 1.00 0.00 C ATOM 1359 CG TYR A 87 78.639 5.295 -4.447 1.00 0.00 C ATOM 1360 CD1 TYR A 87 79.285 4.278 -3.738 1.00 0.00 C ATOM 1361 CD2 TYR A 87 79.234 6.557 -4.564 1.00 0.00 C ATOM 1362 CE1 TYR A 87 80.530 4.519 -3.145 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.478 6.799 -3.970 1.00 0.00 C ATOM 1364 CZ TYR A 87 81.127 5.781 -3.261 1.00 0.00 C ATOM 1365 OH TYR A 87 82.353 6.019 -2.678 1.00 0.00 O ATOM 0 H TYR A 87 75.356 3.843 -5.876 1.00 0.00 H new ATOM 0 HA TYR A 87 76.867 3.515 -3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 87 77.422 4.404 -5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.853 5.968 -5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 87 78.823 3.306 -3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.734 7.342 -5.112 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.030 3.733 -2.599 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.938 7.772 -4.059 1.00 0.00 H new ATOM 0 HH TYR A 87 82.265 5.976 -1.703 1.00 0.00 H new ATOM 1375 N THR A 88 76.894 5.759 -2.209 1.00 0.00 N ATOM 1376 CA THR A 88 76.610 6.753 -1.136 1.00 0.00 C ATOM 1377 C THR A 88 75.212 6.541 -0.570 1.00 0.00 C ATOM 1378 O THR A 88 74.241 7.094 -1.047 1.00 0.00 O ATOM 1379 CB THR A 88 76.726 8.125 -1.804 1.00 0.00 C ATOM 1380 OG1 THR A 88 76.235 9.122 -0.920 1.00 0.00 O ATOM 1381 CG2 THR A 88 75.912 8.146 -3.097 1.00 0.00 C ATOM 0 H THR A 88 77.863 5.442 -2.249 1.00 0.00 H new ATOM 0 HA THR A 88 77.303 6.657 -0.300 1.00 0.00 H new ATOM 0 HB THR A 88 77.772 8.323 -2.037 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.876 9.872 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 88 76.000 9.126 -3.566 1.00 0.00 H new ATOM 0 HG22 THR A 88 76.290 7.383 -3.777 1.00 0.00 H new ATOM 0 HG23 THR A 88 74.865 7.944 -2.871 1.00 0.00 H new ATOM 1389 N GLY A 89 75.108 5.742 0.449 1.00 0.00 N ATOM 1390 CA GLY A 89 73.773 5.484 1.062 1.00 0.00 C ATOM 1391 C GLY A 89 72.990 6.783 1.180 1.00 0.00 C ATOM 1392 O GLY A 89 71.777 6.798 1.223 1.00 0.00 O ATOM 0 H GLY A 89 75.889 5.254 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 89 73.217 4.770 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 89 73.898 5.035 2.047 1.00 0.00 H new ATOM 1396 N GLU A 90 73.686 7.863 1.233 1.00 0.00 N ATOM 1397 CA GLU A 90 73.020 9.191 1.351 1.00 0.00 C ATOM 1398 C GLU A 90 72.318 9.570 0.042 1.00 0.00 C ATOM 1399 O GLU A 90 71.150 9.907 0.036 1.00 0.00 O ATOM 1400 CB GLU A 90 74.152 10.174 1.653 1.00 0.00 C ATOM 1401 CG GLU A 90 73.560 11.510 2.106 1.00 0.00 C ATOM 1402 CD GLU A 90 73.522 11.560 3.635 1.00 0.00 C ATOM 1403 OE1 GLU A 90 74.249 10.797 4.250 1.00 0.00 O ATOM 1404 OE2 GLU A 90 72.769 12.361 4.163 1.00 0.00 O ATOM 0 H GLU A 90 74.705 7.895 1.200 1.00 0.00 H new ATOM 0 HA GLU A 90 72.253 9.192 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 90 74.801 9.770 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 90 74.768 10.319 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 90 74.159 12.335 1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 90 72.554 11.630 1.703 1.00 0.00 H new ATOM 1411 N LYS A 91 73.014 9.541 -1.068 1.00 0.00 N ATOM 1412 CA LYS A 91 72.364 9.926 -2.352 1.00 0.00 C ATOM 1413 C LYS A 91 72.920 9.108 -3.523 1.00 0.00 C ATOM 1414 O LYS A 91 73.455 9.652 -4.469 1.00 0.00 O ATOM 1415 CB LYS A 91 72.721 11.398 -2.520 1.00 0.00 C ATOM 1416 CG LYS A 91 71.704 12.073 -3.443 1.00 0.00 C ATOM 1417 CD LYS A 91 72.186 13.484 -3.789 1.00 0.00 C ATOM 1418 CE LYS A 91 71.191 14.511 -3.244 1.00 0.00 C ATOM 1419 NZ LYS A 91 71.773 14.960 -1.949 1.00 0.00 N ATOM 0 H LYS A 91 73.995 9.270 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 91 71.289 9.745 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 91 72.730 11.893 -1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 91 73.724 11.494 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.578 11.487 -4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 91 70.730 12.119 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.174 13.657 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 91 72.282 13.592 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 91 71.069 15.347 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 91 70.205 14.069 -3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 71.147 15.667 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 71.871 14.144 -1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 72.708 15.383 -2.117 1.00 0.00 H new ATOM 1433 N GLY A 92 72.794 7.811 -3.476 1.00 0.00 N ATOM 1434 CA GLY A 92 73.313 6.975 -4.593 1.00 0.00 C ATOM 1435 C GLY A 92 72.716 7.461 -5.915 1.00 0.00 C ATOM 1436 O GLY A 92 71.892 8.354 -5.944 1.00 0.00 O ATOM 0 H GLY A 92 72.355 7.295 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 92 74.401 7.033 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 92 73.055 5.929 -4.428 1.00 0.00 H new ATOM 1440 N GLY A 93 73.123 6.880 -7.011 1.00 0.00 N ATOM 1441 CA GLY A 93 72.578 7.310 -8.329 1.00 0.00 C ATOM 1442 C GLY A 93 73.552 6.915 -9.440 1.00 0.00 C ATOM 1443 O GLY A 93 74.598 6.351 -9.189 1.00 0.00 O ATOM 0 H GLY A 93 73.809 6.126 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 93 71.607 6.846 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 93 72.422 8.389 -8.335 1.00 0.00 H new ATOM 1447 N THR A 94 73.218 7.207 -10.667 1.00 0.00 N ATOM 1448 CA THR A 94 74.127 6.847 -11.793 1.00 0.00 C ATOM 1449 C THR A 94 75.347 7.773 -11.803 1.00 0.00 C ATOM 1450 O THR A 94 75.267 8.925 -11.425 1.00 0.00 O ATOM 1451 CB THR A 94 73.290 7.049 -13.058 1.00 0.00 C ATOM 1452 OG1 THR A 94 72.366 5.977 -13.188 1.00 0.00 O ATOM 1453 CG2 THR A 94 74.210 7.084 -14.279 1.00 0.00 C ATOM 0 H THR A 94 72.356 7.679 -10.939 1.00 0.00 H new ATOM 0 HA THR A 94 74.502 5.827 -11.712 1.00 0.00 H new ATOM 0 HB THR A 94 72.746 7.991 -12.989 1.00 0.00 H new ATOM 0 HG1 THR A 94 71.828 6.105 -13.997 1.00 0.00 H new ATOM 0 HG21 THR A 94 73.614 7.228 -15.180 1.00 0.00 H new ATOM 0 HG22 THR A 94 74.918 7.906 -14.177 1.00 0.00 H new ATOM 0 HG23 THR A 94 74.755 6.143 -14.351 1.00 0.00 H new ATOM 1461 N ARG A 95 76.475 7.277 -12.232 1.00 0.00 N ATOM 1462 CA ARG A 95 77.699 8.129 -12.266 1.00 0.00 C ATOM 1463 C ARG A 95 77.804 8.956 -10.982 1.00 0.00 C ATOM 1464 O ARG A 95 77.190 8.645 -9.979 1.00 0.00 O ATOM 1465 CB ARG A 95 77.513 9.042 -13.478 1.00 0.00 C ATOM 1466 CG ARG A 95 78.746 8.951 -14.379 1.00 0.00 C ATOM 1467 CD ARG A 95 79.328 10.350 -14.592 1.00 0.00 C ATOM 1468 NE ARG A 95 80.772 10.125 -14.878 1.00 0.00 N ATOM 1469 CZ ARG A 95 81.452 11.016 -15.546 1.00 0.00 C ATOM 1470 NH1 ARG A 95 81.080 12.266 -15.530 1.00 0.00 N ATOM 1471 NH2 ARG A 95 82.502 10.657 -16.232 1.00 0.00 N ATOM 0 H ARG A 95 76.603 6.320 -12.560 1.00 0.00 H new ATOM 0 HA ARG A 95 78.612 7.537 -12.338 1.00 0.00 H new ATOM 0 HB2 ARG A 95 76.621 8.750 -14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 95 77.363 10.071 -13.152 1.00 0.00 H new ATOM 0 HG2 ARG A 95 79.493 8.300 -13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 95 78.477 8.508 -15.338 1.00 0.00 H new ATOM 0 HD2 ARG A 95 78.836 10.861 -15.420 1.00 0.00 H new ATOM 0 HD3 ARG A 95 79.193 10.973 -13.708 1.00 0.00 H new ATOM 0 HE ARG A 95 81.230 9.274 -14.552 1.00 0.00 H new ATOM 0 HH11 ARG A 95 80.258 12.547 -14.995 1.00 0.00 H new ATOM 0 HH12 ARG A 95 81.611 12.963 -16.052 1.00 0.00 H new ATOM 0 HH21 ARG A 95 82.792 9.679 -16.246 1.00 0.00 H new ATOM 0 HH22 ARG A 95 83.033 11.354 -16.754 1.00 0.00 H new ATOM 1485 N GLY A 96 78.575 10.008 -11.003 1.00 0.00 N ATOM 1486 CA GLY A 96 78.718 10.853 -9.784 1.00 0.00 C ATOM 1487 C GLY A 96 77.439 11.665 -9.570 1.00 0.00 C ATOM 1488 O GLY A 96 76.672 11.303 -8.692 1.00 0.00 O ATOM 1489 OXT GLY A 96 77.247 12.632 -10.287 1.00 0.00 O ATOM 0 H GLY A 96 79.113 10.319 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 96 78.912 10.225 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 96 79.572 11.522 -9.891 1.00 0.00 H new TER 1493 GLY A 96