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 22 LYS NZ :NH3+ -123:sc= 0.542 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.698 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= 0.0253 USER MOD Single : A 9 THR OG1 : rot 170:sc= -1.75! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.187) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc=0.000702 USER MOD Single : A 23 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.52) USER MOD Single : A 25 SER OG : rot -164:sc= 0.219 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 146:sc= -0.26 (180deg=-1.73!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0177 K(o=-0.018,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0495) USER MOD Single : A 62 SER OG : rot 180:sc= -1.28! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -3.87 K(o=-3.9,f=-17!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.226 USER MOD Single : A 84 SER OG : rot -150:sc= -4.1! USER MOD Single : A 87 TYR OH : rot -74:sc= 0.485 USER MOD Single : A 88 THR OG1 : rot -54:sc= 0.342 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 85.695 32.180 -14.068 1.00 0.00 N ATOM 2 CA SER A 1 84.335 32.175 -13.456 1.00 0.00 C ATOM 3 C SER A 1 84.016 30.790 -12.886 1.00 0.00 C ATOM 4 O SER A 1 83.606 29.895 -13.598 1.00 0.00 O ATOM 5 CB SER A 1 83.385 32.515 -14.603 1.00 0.00 C ATOM 6 OG SER A 1 82.043 32.308 -14.178 1.00 0.00 O ATOM 0 H1 SER A 1 85.900 33.125 -14.451 1.00 0.00 H new ATOM 0 H2 SER A 1 86.402 31.939 -13.344 1.00 0.00 H new ATOM 0 H3 SER A 1 85.733 31.480 -14.836 1.00 0.00 H new ATOM 0 HA SER A 1 84.250 32.884 -12.632 1.00 0.00 H new ATOM 0 HB2 SER A 1 83.525 33.551 -14.912 1.00 0.00 H new ATOM 0 HB3 SER A 1 83.605 31.891 -15.470 1.00 0.00 H new ATOM 0 HG SER A 1 81.430 32.527 -14.911 1.00 0.00 H new ATOM 14 N HIS A 2 84.200 30.608 -11.606 1.00 0.00 N ATOM 15 CA HIS A 2 83.906 29.281 -10.994 1.00 0.00 C ATOM 16 C HIS A 2 84.226 29.306 -9.497 1.00 0.00 C ATOM 17 O HIS A 2 85.228 28.776 -9.058 1.00 0.00 O ATOM 18 CB HIS A 2 84.823 28.298 -11.722 1.00 0.00 C ATOM 19 CG HIS A 2 84.112 26.984 -11.897 1.00 0.00 C ATOM 20 ND1 HIS A 2 83.693 26.531 -13.138 1.00 0.00 N ATOM 21 CD2 HIS A 2 83.739 26.015 -10.999 1.00 0.00 C ATOM 22 CE1 HIS A 2 83.097 25.338 -12.954 1.00 0.00 C ATOM 23 NE2 HIS A 2 83.098 24.976 -11.668 1.00 0.00 N ATOM 0 H HIS A 2 84.540 31.319 -10.959 1.00 0.00 H new ATOM 0 HA HIS A 2 82.856 29.006 -11.089 1.00 0.00 H new ATOM 0 HB2 HIS A 2 85.108 28.702 -12.694 1.00 0.00 H new ATOM 0 HB3 HIS A 2 85.742 28.153 -11.155 1.00 0.00 H new ATOM 0 HD2 HIS A 2 83.916 26.053 -9.934 1.00 0.00 H new ATOM 0 HE1 HIS A 2 82.670 24.745 -13.749 1.00 0.00 H new ATOM 0 HE2 HIS A 2 82.712 24.123 -11.264 1.00 0.00 H new ATOM 31 N MET A 3 83.383 29.917 -8.710 1.00 0.00 N ATOM 32 CA MET A 3 83.640 29.973 -7.242 1.00 0.00 C ATOM 33 C MET A 3 84.120 28.608 -6.740 1.00 0.00 C ATOM 34 O MET A 3 83.588 27.579 -7.105 1.00 0.00 O ATOM 35 CB MET A 3 82.291 30.329 -6.616 1.00 0.00 C ATOM 36 CG MET A 3 81.841 31.701 -7.122 1.00 0.00 C ATOM 37 SD MET A 3 80.043 31.708 -7.330 1.00 0.00 S ATOM 38 CE MET A 3 79.970 32.965 -8.629 1.00 0.00 C ATOM 0 H MET A 3 82.528 30.380 -9.019 1.00 0.00 H new ATOM 0 HA MET A 3 84.412 30.698 -6.984 1.00 0.00 H new ATOM 0 HB2 MET A 3 81.548 29.573 -6.872 1.00 0.00 H new ATOM 0 HB3 MET A 3 82.374 30.339 -5.529 1.00 0.00 H new ATOM 0 HG2 MET A 3 82.139 32.476 -6.416 1.00 0.00 H new ATOM 0 HG3 MET A 3 82.328 31.929 -8.070 1.00 0.00 H new ATOM 0 HE1 MET A 3 78.932 33.132 -8.916 1.00 0.00 H new ATOM 0 HE2 MET A 3 80.398 33.896 -8.258 1.00 0.00 H new ATOM 0 HE3 MET A 3 80.536 32.625 -9.496 1.00 0.00 H new ATOM 48 N LEU A 4 85.126 28.591 -5.908 1.00 0.00 N ATOM 49 CA LEU A 4 85.639 27.291 -5.389 1.00 0.00 C ATOM 50 C LEU A 4 85.799 27.348 -3.867 1.00 0.00 C ATOM 51 O LEU A 4 86.898 27.347 -3.348 1.00 0.00 O ATOM 52 CB LEU A 4 86.997 27.100 -6.065 1.00 0.00 C ATOM 53 CG LEU A 4 86.967 25.835 -6.922 1.00 0.00 C ATOM 54 CD1 LEU A 4 88.351 25.594 -7.526 1.00 0.00 C ATOM 55 CD2 LEU A 4 86.577 24.639 -6.050 1.00 0.00 C ATOM 0 H LEU A 4 85.614 29.419 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 4 84.958 26.467 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 4 87.232 27.966 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.782 27.024 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 4 86.238 25.956 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 4 88.329 24.692 -8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.631 26.446 -8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 4 89.081 25.473 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.555 23.736 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 4 87.307 24.519 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 4 85.591 24.809 -5.619 1.00 0.00 H new ATOM 67 N GLU A 5 84.711 27.395 -3.148 1.00 0.00 N ATOM 68 CA GLU A 5 84.802 27.446 -1.660 1.00 0.00 C ATOM 69 C GLU A 5 84.571 26.050 -1.074 1.00 0.00 C ATOM 70 O GLU A 5 83.602 25.391 -1.390 1.00 0.00 O ATOM 71 CB GLU A 5 83.690 28.403 -1.224 1.00 0.00 C ATOM 72 CG GLU A 5 82.368 27.983 -1.868 1.00 0.00 C ATOM 73 CD GLU A 5 81.231 28.153 -0.859 1.00 0.00 C ATOM 74 OE1 GLU A 5 80.830 29.282 -0.632 1.00 0.00 O ATOM 75 OE2 GLU A 5 80.780 27.149 -0.330 1.00 0.00 O ATOM 0 H GLU A 5 83.763 27.400 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 5 85.781 27.780 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 5 83.595 28.396 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 5 83.940 29.423 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 5 82.175 28.587 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 5 82.425 26.945 -2.196 1.00 0.00 H new ATOM 82 N ASP A 6 85.458 25.595 -0.229 1.00 0.00 N ATOM 83 CA ASP A 6 85.291 24.237 0.373 1.00 0.00 C ATOM 84 C ASP A 6 83.828 23.998 0.743 1.00 0.00 C ATOM 85 O ASP A 6 83.360 24.468 1.761 1.00 0.00 O ATOM 86 CB ASP A 6 86.155 24.240 1.634 1.00 0.00 C ATOM 87 CG ASP A 6 87.553 24.769 1.308 1.00 0.00 C ATOM 88 OD1 ASP A 6 88.358 23.996 0.813 1.00 0.00 O ATOM 89 OD2 ASP A 6 87.796 25.938 1.559 1.00 0.00 O ATOM 0 H ASP A 6 86.290 26.103 0.071 1.00 0.00 H new ATOM 0 HA ASP A 6 85.584 23.449 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 6 85.692 24.861 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 6 86.224 23.231 2.040 1.00 0.00 H new ATOM 94 N PRO A 7 83.153 23.271 -0.101 1.00 0.00 N ATOM 95 CA PRO A 7 81.727 22.966 0.139 1.00 0.00 C ATOM 96 C PRO A 7 81.592 21.829 1.155 1.00 0.00 C ATOM 97 O PRO A 7 82.537 21.460 1.824 1.00 0.00 O ATOM 98 CB PRO A 7 81.223 22.526 -1.232 1.00 0.00 C ATOM 99 CG PRO A 7 82.432 22.020 -1.958 1.00 0.00 C ATOM 100 CD PRO A 7 83.647 22.674 -1.345 1.00 0.00 C ATOM 0 HA PRO A 7 81.168 23.809 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 7 80.465 21.748 -1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 7 80.763 23.357 -1.767 1.00 0.00 H new ATOM 0 HG2 PRO A 7 82.500 20.935 -1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 7 82.366 22.256 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 7 84.434 21.946 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 7 84.068 23.430 -2.008 1.00 0.00 H new ATOM 108 N CYS A 8 80.421 21.270 1.268 1.00 0.00 N ATOM 109 CA CYS A 8 80.209 20.149 2.230 1.00 0.00 C ATOM 110 C CYS A 8 80.787 18.850 1.667 1.00 0.00 C ATOM 111 O CYS A 8 80.676 17.797 2.260 1.00 0.00 O ATOM 112 CB CYS A 8 78.697 20.038 2.360 1.00 0.00 C ATOM 113 SG CYS A 8 77.999 19.439 0.800 1.00 0.00 S ATOM 0 H CYS A 8 79.596 21.541 0.733 1.00 0.00 H new ATOM 0 HA CYS A 8 80.698 20.326 3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 8 78.440 19.357 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 8 78.271 21.009 2.612 1.00 0.00 H new ATOM 0 HG CYS A 8 76.707 19.342 0.911 1.00 0.00 H new ATOM 119 N THR A 9 81.391 18.924 0.520 1.00 0.00 N ATOM 120 CA THR A 9 81.976 17.713 -0.111 1.00 0.00 C ATOM 121 C THR A 9 82.666 16.842 0.938 1.00 0.00 C ATOM 122 O THR A 9 82.790 15.643 0.782 1.00 0.00 O ATOM 123 CB THR A 9 82.997 18.246 -1.117 1.00 0.00 C ATOM 124 OG1 THR A 9 83.481 19.506 -0.676 1.00 0.00 O ATOM 125 CG2 THR A 9 82.333 18.403 -2.487 1.00 0.00 C ATOM 0 H THR A 9 81.506 19.784 -0.016 1.00 0.00 H new ATOM 0 HA THR A 9 81.217 17.091 -0.586 1.00 0.00 H new ATOM 0 HB THR A 9 83.828 17.545 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 9 84.246 19.774 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 9 83.062 18.783 -3.203 1.00 0.00 H new ATOM 0 HG22 THR A 9 81.963 17.435 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 9 81.501 19.103 -2.410 1.00 0.00 H new ATOM 133 N SER A 10 83.125 17.436 2.005 1.00 0.00 N ATOM 134 CA SER A 10 83.814 16.636 3.060 1.00 0.00 C ATOM 135 C SER A 10 82.798 15.964 3.980 1.00 0.00 C ATOM 136 O SER A 10 83.140 15.400 5.001 1.00 0.00 O ATOM 137 CB SER A 10 84.674 17.637 3.832 1.00 0.00 C ATOM 138 OG SER A 10 85.945 17.745 3.204 1.00 0.00 O ATOM 0 H SER A 10 83.054 18.436 2.193 1.00 0.00 H new ATOM 0 HA SER A 10 84.417 15.835 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 10 84.184 18.611 3.858 1.00 0.00 H new ATOM 0 HB3 SER A 10 84.792 17.312 4.866 1.00 0.00 H new ATOM 0 HG SER A 10 86.499 18.387 3.695 1.00 0.00 H new ATOM 144 N LYS A 11 81.560 15.995 3.606 1.00 0.00 N ATOM 145 CA LYS A 11 80.510 15.331 4.425 1.00 0.00 C ATOM 146 C LYS A 11 80.031 14.099 3.671 1.00 0.00 C ATOM 147 O LYS A 11 79.965 13.012 4.209 1.00 0.00 O ATOM 148 CB LYS A 11 79.389 16.362 4.566 1.00 0.00 C ATOM 149 CG LYS A 11 78.221 15.744 5.339 1.00 0.00 C ATOM 150 CD LYS A 11 78.321 16.137 6.815 1.00 0.00 C ATOM 151 CE LYS A 11 77.126 17.016 7.191 1.00 0.00 C ATOM 152 NZ LYS A 11 77.368 18.311 6.495 1.00 0.00 N ATOM 0 H LYS A 11 81.221 16.455 2.761 1.00 0.00 H new ATOM 0 HA LYS A 11 80.862 15.011 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.757 17.246 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 11 79.055 16.689 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 11 77.274 16.088 4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 11 78.238 14.659 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 11 78.340 15.244 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 11 79.252 16.673 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 11 76.187 16.565 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 11 77.061 17.154 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 76.710 19.029 6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 78.346 18.620 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 77.217 18.189 5.473 1.00 0.00 H new ATOM 166 N LYS A 12 79.737 14.254 2.411 1.00 0.00 N ATOM 167 CA LYS A 12 79.311 13.082 1.608 1.00 0.00 C ATOM 168 C LYS A 12 80.547 12.264 1.243 1.00 0.00 C ATOM 169 O LYS A 12 80.463 11.225 0.618 1.00 0.00 O ATOM 170 CB LYS A 12 78.646 13.663 0.359 1.00 0.00 C ATOM 171 CG LYS A 12 79.645 14.555 -0.381 1.00 0.00 C ATOM 172 CD LYS A 12 80.106 13.855 -1.660 1.00 0.00 C ATOM 173 CE LYS A 12 80.738 14.880 -2.604 1.00 0.00 C ATOM 174 NZ LYS A 12 82.012 14.254 -3.055 1.00 0.00 N ATOM 0 H LYS A 12 79.774 15.140 1.906 1.00 0.00 H new ATOM 0 HA LYS A 12 78.624 12.424 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 12 78.307 12.858 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 12 77.764 14.240 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 12 79.183 15.512 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 12 80.502 14.768 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 12 80.827 13.073 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 12 79.260 13.370 -2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 12 80.083 15.095 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 12 80.922 15.826 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 82.504 14.898 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 82.618 14.067 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 81.805 13.359 -3.543 1.00 0.00 H new ATOM 188 N VAL A 13 81.699 12.731 1.645 1.00 0.00 N ATOM 189 CA VAL A 13 82.954 11.993 1.347 1.00 0.00 C ATOM 190 C VAL A 13 82.958 10.673 2.114 1.00 0.00 C ATOM 191 O VAL A 13 83.313 9.635 1.592 1.00 0.00 O ATOM 192 CB VAL A 13 84.074 12.926 1.830 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.300 12.750 3.335 1.00 0.00 C ATOM 194 CG2 VAL A 13 85.367 12.602 1.079 1.00 0.00 C ATOM 0 H VAL A 13 81.822 13.597 2.170 1.00 0.00 H new ATOM 0 HA VAL A 13 83.071 11.745 0.292 1.00 0.00 H new ATOM 0 HB VAL A 13 83.783 13.958 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.097 13.417 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.382 12.989 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.583 11.718 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 13 86.162 13.264 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 13 85.649 11.567 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 13 85.212 12.744 0.009 1.00 0.00 H new ATOM 204 N ARG A 14 82.548 10.709 3.350 1.00 0.00 N ATOM 205 CA ARG A 14 82.510 9.457 4.157 1.00 0.00 C ATOM 206 C ARG A 14 81.403 8.543 3.631 1.00 0.00 C ATOM 207 O ARG A 14 81.629 7.389 3.327 1.00 0.00 O ATOM 208 CB ARG A 14 82.208 9.908 5.586 1.00 0.00 C ATOM 209 CG ARG A 14 83.069 9.110 6.567 1.00 0.00 C ATOM 210 CD ARG A 14 82.673 9.467 8.001 1.00 0.00 C ATOM 211 NE ARG A 14 82.666 8.168 8.731 1.00 0.00 N ATOM 212 CZ ARG A 14 82.930 8.136 10.009 1.00 0.00 C ATOM 213 NH1 ARG A 14 84.161 8.268 10.424 1.00 0.00 N ATOM 214 NH2 ARG A 14 81.964 7.974 10.871 1.00 0.00 N ATOM 0 H ARG A 14 82.238 11.550 3.837 1.00 0.00 H new ATOM 0 HA ARG A 14 83.444 8.897 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 14 82.410 10.974 5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 14 81.151 9.760 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.937 8.041 6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 14 84.124 9.331 6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 14 83.382 10.166 8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 14 81.693 9.944 8.033 1.00 0.00 H new ATOM 0 HE ARG A 14 82.455 7.304 8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 14 84.916 8.396 9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 14 84.368 8.243 11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 14 81.002 7.872 10.546 1.00 0.00 H new ATOM 0 HH22 ARG A 14 82.170 7.949 11.870 1.00 0.00 H new ATOM 228 N ALA A 15 80.208 9.051 3.510 1.00 0.00 N ATOM 229 CA ALA A 15 79.097 8.208 2.990 1.00 0.00 C ATOM 230 C ALA A 15 79.485 7.636 1.625 1.00 0.00 C ATOM 231 O ALA A 15 78.909 6.674 1.155 1.00 0.00 O ATOM 232 CB ALA A 15 77.905 9.155 2.860 1.00 0.00 C ATOM 0 H ALA A 15 79.954 10.010 3.748 1.00 0.00 H new ATOM 0 HA ALA A 15 78.869 7.365 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.043 8.605 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.666 9.575 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.154 9.961 2.169 1.00 0.00 H new ATOM 238 N ALA A 16 80.462 8.224 0.986 1.00 0.00 N ATOM 239 CA ALA A 16 80.894 7.718 -0.346 1.00 0.00 C ATOM 240 C ALA A 16 81.083 6.202 -0.295 1.00 0.00 C ATOM 241 O ALA A 16 80.773 5.494 -1.232 1.00 0.00 O ATOM 242 CB ALA A 16 82.226 8.417 -0.625 1.00 0.00 C ATOM 0 H ALA A 16 80.979 9.033 1.331 1.00 0.00 H new ATOM 0 HA ALA A 16 80.159 7.922 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.610 8.095 -1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.075 9.496 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.943 8.158 0.154 1.00 0.00 H new ATOM 248 N ARG A 17 81.587 5.699 0.797 1.00 0.00 N ATOM 249 CA ARG A 17 81.790 4.226 0.911 1.00 0.00 C ATOM 250 C ARG A 17 80.518 3.561 1.443 1.00 0.00 C ATOM 251 O ARG A 17 80.554 2.474 1.985 1.00 0.00 O ATOM 252 CB ARG A 17 82.943 4.055 1.901 1.00 0.00 C ATOM 253 CG ARG A 17 82.633 4.817 3.191 1.00 0.00 C ATOM 254 CD ARG A 17 83.704 5.885 3.421 1.00 0.00 C ATOM 255 NE ARG A 17 83.520 6.315 4.835 1.00 0.00 N ATOM 256 CZ ARG A 17 84.560 6.468 5.611 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.561 7.207 5.221 1.00 0.00 N ATOM 258 NH2 ARG A 17 84.595 5.883 6.777 1.00 0.00 N ATOM 0 H ARG A 17 81.867 6.242 1.614 1.00 0.00 H new ATOM 0 HA ARG A 17 82.013 3.764 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.094 2.998 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.870 4.425 1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.649 5.281 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.604 4.128 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 17 84.704 5.483 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 17 83.581 6.722 2.734 1.00 0.00 H new ATOM 0 HE ARG A 17 82.583 6.490 5.197 1.00 0.00 H new ATOM 0 HH11 ARG A 17 85.532 7.666 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 17 86.373 7.327 5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 17 83.811 5.307 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 17 85.407 6.002 7.383 1.00 0.00 H new ATOM 272 N THR A 18 79.393 4.207 1.292 1.00 0.00 N ATOM 273 CA THR A 18 78.118 3.613 1.787 1.00 0.00 C ATOM 274 C THR A 18 77.004 3.809 0.756 1.00 0.00 C ATOM 275 O THR A 18 76.626 4.918 0.438 1.00 0.00 O ATOM 276 CB THR A 18 77.799 4.377 3.073 1.00 0.00 C ATOM 277 OG1 THR A 18 78.690 3.965 4.101 1.00 0.00 O ATOM 278 CG2 THR A 18 76.359 4.085 3.497 1.00 0.00 C ATOM 0 H THR A 18 79.302 5.120 0.847 1.00 0.00 H new ATOM 0 HA THR A 18 78.203 2.540 1.959 1.00 0.00 H new ATOM 0 HB THR A 18 77.915 5.447 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.488 4.455 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 18 76.132 4.630 4.414 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.676 4.401 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.241 3.016 3.672 1.00 0.00 H new ATOM 286 N LEU A 19 76.473 2.737 0.233 1.00 0.00 N ATOM 287 CA LEU A 19 75.380 2.858 -0.777 1.00 0.00 C ATOM 288 C LEU A 19 74.137 2.106 -0.297 1.00 0.00 C ATOM 289 O LEU A 19 74.107 1.568 0.791 1.00 0.00 O ATOM 290 CB LEU A 19 75.939 2.215 -2.048 1.00 0.00 C ATOM 291 CG LEU A 19 76.595 0.878 -1.706 1.00 0.00 C ATOM 292 CD1 LEU A 19 76.191 -0.168 -2.743 1.00 0.00 C ATOM 293 CD2 LEU A 19 78.116 1.047 -1.717 1.00 0.00 C ATOM 0 H LEU A 19 76.748 1.782 0.461 1.00 0.00 H new ATOM 0 HA LEU A 19 75.083 3.893 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.139 2.063 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.667 2.880 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 19 76.269 0.552 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.659 -1.122 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.107 -0.284 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.518 0.154 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.590 0.096 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.439 1.370 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.404 1.795 -0.979 1.00 0.00 H new ATOM 305 N LEU A 20 73.111 2.067 -1.100 1.00 0.00 N ATOM 306 CA LEU A 20 71.869 1.352 -0.689 1.00 0.00 C ATOM 307 C LEU A 20 71.465 0.336 -1.761 1.00 0.00 C ATOM 308 O LEU A 20 71.494 0.620 -2.942 1.00 0.00 O ATOM 309 CB LEU A 20 70.810 2.448 -0.561 1.00 0.00 C ATOM 310 CG LEU A 20 69.437 1.813 -0.332 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.085 1.880 1.155 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.385 2.577 -1.139 1.00 0.00 C ATOM 0 H LEU A 20 73.078 2.499 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 20 71.997 0.797 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.057 3.111 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.793 3.058 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 20 69.459 0.772 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.107 1.428 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.836 1.339 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.061 2.921 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.405 2.127 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.364 3.618 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.636 2.531 -2.199 1.00 0.00 H new ATOM 324 N ALA A 21 71.083 -0.845 -1.361 1.00 0.00 N ATOM 325 CA ALA A 21 70.673 -1.870 -2.359 1.00 0.00 C ATOM 326 C ALA A 21 69.196 -1.686 -2.714 1.00 0.00 C ATOM 327 O ALA A 21 68.364 -1.466 -1.855 1.00 0.00 O ATOM 328 CB ALA A 21 70.896 -3.215 -1.666 1.00 0.00 C ATOM 0 H ALA A 21 71.037 -1.144 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 21 71.239 -1.797 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.615 -4.023 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.947 -3.316 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.285 -3.266 -0.765 1.00 0.00 H new ATOM 334 N LYS A 22 68.863 -1.770 -3.973 1.00 0.00 N ATOM 335 CA LYS A 22 67.440 -1.596 -4.381 1.00 0.00 C ATOM 336 C LYS A 22 67.047 -2.671 -5.396 1.00 0.00 C ATOM 337 O LYS A 22 67.820 -3.556 -5.709 1.00 0.00 O ATOM 338 CB LYS A 22 67.378 -0.208 -5.020 1.00 0.00 C ATOM 339 CG LYS A 22 67.058 0.835 -3.947 1.00 0.00 C ATOM 340 CD LYS A 22 65.720 1.505 -4.269 1.00 0.00 C ATOM 341 CE LYS A 22 65.973 2.823 -5.005 1.00 0.00 C ATOM 342 NZ LYS A 22 65.266 2.677 -6.308 1.00 0.00 N ATOM 0 H LYS A 22 69.514 -1.952 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 22 66.754 -1.688 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.329 0.027 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.616 -0.189 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 22 67.013 0.361 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 22 67.850 1.583 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.109 0.844 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.164 1.690 -3.350 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.588 3.671 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 67.039 2.995 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 65.941 2.815 -7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.852 1.725 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.510 3.388 -6.375 1.00 0.00 H new ATOM 356 N ASN A 23 65.851 -2.605 -5.911 1.00 0.00 N ATOM 357 CA ASN A 23 65.411 -3.627 -6.904 1.00 0.00 C ATOM 358 C ASN A 23 65.503 -5.027 -6.290 1.00 0.00 C ATOM 359 O ASN A 23 65.468 -6.024 -6.983 1.00 0.00 O ATOM 360 CB ASN A 23 66.387 -3.490 -8.074 1.00 0.00 C ATOM 361 CG ASN A 23 65.939 -4.398 -9.221 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.806 -4.334 -9.655 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.787 -5.247 -9.735 1.00 0.00 N ATOM 0 H ASN A 23 65.159 -1.889 -5.688 1.00 0.00 H new ATOM 0 HA ASN A 23 64.377 -3.482 -7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.425 -2.454 -8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.394 -3.759 -7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 23 66.498 -5.856 -10.501 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.738 -5.301 -9.371 1.00 0.00 H new ATOM 370 N LEU A 24 65.622 -5.105 -4.993 1.00 0.00 N ATOM 371 CA LEU A 24 65.717 -6.438 -4.331 1.00 0.00 C ATOM 372 C LEU A 24 64.386 -7.182 -4.447 1.00 0.00 C ATOM 373 O LEU A 24 63.564 -6.880 -5.289 1.00 0.00 O ATOM 374 CB LEU A 24 66.029 -6.129 -2.867 1.00 0.00 C ATOM 375 CG LEU A 24 67.437 -5.541 -2.755 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.451 -4.446 -1.686 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.419 -6.647 -2.363 1.00 0.00 C ATOM 0 H LEU A 24 65.658 -4.304 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 24 66.477 -7.072 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.298 -5.425 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.955 -7.038 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 24 67.730 -5.115 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.454 -4.028 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.750 -3.658 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.158 -4.871 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.423 -6.230 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.124 -7.072 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.410 -7.428 -3.123 1.00 0.00 H new ATOM 389 N SER A 25 64.165 -8.152 -3.603 1.00 0.00 N ATOM 390 CA SER A 25 62.887 -8.914 -3.660 1.00 0.00 C ATOM 391 C SER A 25 62.361 -9.158 -2.243 1.00 0.00 C ATOM 392 O SER A 25 63.004 -8.827 -1.267 1.00 0.00 O ATOM 393 CB SER A 25 63.243 -10.237 -4.335 1.00 0.00 C ATOM 394 OG SER A 25 62.456 -11.278 -3.773 1.00 0.00 O ATOM 0 H SER A 25 64.815 -8.450 -2.876 1.00 0.00 H new ATOM 0 HA SER A 25 62.108 -8.379 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.065 -10.170 -5.408 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.303 -10.454 -4.200 1.00 0.00 H new ATOM 0 HG SER A 25 62.845 -12.146 -4.010 1.00 0.00 H new ATOM 400 N PHE A 26 61.198 -9.734 -2.124 1.00 0.00 N ATOM 401 CA PHE A 26 60.634 -9.999 -0.773 1.00 0.00 C ATOM 402 C PHE A 26 61.321 -11.212 -0.144 1.00 0.00 C ATOM 403 O PHE A 26 61.097 -11.541 1.004 1.00 0.00 O ATOM 404 CB PHE A 26 59.158 -10.291 -1.028 1.00 0.00 C ATOM 405 CG PHE A 26 58.331 -9.075 -0.680 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.420 -7.921 -1.467 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.475 -9.103 0.428 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.653 -6.795 -1.149 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.708 -7.975 0.747 1.00 0.00 C ATOM 410 CZ PHE A 26 56.797 -6.822 -0.041 1.00 0.00 C ATOM 0 H PHE A 26 60.614 -10.033 -2.905 1.00 0.00 H new ATOM 0 HA PHE A 26 60.778 -9.165 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.006 -10.559 -2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.837 -11.144 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.081 -7.900 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.406 -9.993 1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.721 -5.905 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.048 -7.995 1.601 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.205 -5.953 0.205 1.00 0.00 H new ATOM 420 N ASN A 27 62.154 -11.884 -0.891 1.00 0.00 N ATOM 421 CA ASN A 27 62.852 -13.076 -0.344 1.00 0.00 C ATOM 422 C ASN A 27 64.275 -12.716 0.092 1.00 0.00 C ATOM 423 O ASN A 27 64.708 -13.065 1.171 1.00 0.00 O ATOM 424 CB ASN A 27 62.885 -14.079 -1.499 1.00 0.00 C ATOM 425 CG ASN A 27 62.298 -15.413 -1.033 1.00 0.00 C ATOM 426 OD1 ASN A 27 62.994 -16.407 -0.971 1.00 0.00 O ATOM 427 ND2 ASN A 27 61.038 -15.477 -0.699 1.00 0.00 N ATOM 0 H ASN A 27 62.380 -11.656 -1.859 1.00 0.00 H new ATOM 0 HA ASN A 27 62.347 -13.477 0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.315 -13.695 -2.345 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.910 -14.221 -1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 27 60.638 -16.361 -0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 27 60.454 -14.643 -0.751 1.00 0.00 H new ATOM 434 N ILE A 28 65.009 -12.023 -0.738 1.00 0.00 N ATOM 435 CA ILE A 28 66.403 -11.653 -0.361 1.00 0.00 C ATOM 436 C ILE A 28 66.414 -10.912 0.975 1.00 0.00 C ATOM 437 O ILE A 28 65.411 -10.387 1.414 1.00 0.00 O ATOM 438 CB ILE A 28 66.902 -10.745 -1.486 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.424 -10.620 -1.399 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.271 -9.361 -1.354 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.006 -10.465 -2.806 1.00 0.00 C ATOM 0 H ILE A 28 64.705 -11.699 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 28 67.039 -12.530 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 28 66.623 -11.176 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.694 -9.760 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.845 -11.502 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.630 -8.719 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.186 -9.448 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.545 -8.926 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.091 -10.376 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.748 -11.338 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.595 -9.570 -3.273 1.00 0.00 H new ATOM 453 N THR A 29 67.544 -10.867 1.623 1.00 0.00 N ATOM 454 CA THR A 29 67.627 -10.164 2.938 1.00 0.00 C ATOM 455 C THR A 29 69.080 -9.807 3.265 1.00 0.00 C ATOM 456 O THR A 29 69.984 -10.044 2.484 1.00 0.00 O ATOM 457 CB THR A 29 67.094 -11.171 3.958 1.00 0.00 C ATOM 458 OG1 THR A 29 67.741 -12.422 3.763 1.00 0.00 O ATOM 459 CG2 THR A 29 65.585 -11.342 3.781 1.00 0.00 C ATOM 0 H THR A 29 68.416 -11.286 1.300 1.00 0.00 H new ATOM 0 HA THR A 29 67.061 -9.233 2.938 1.00 0.00 H new ATOM 0 HB THR A 29 67.295 -10.806 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.403 -13.070 4.416 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.212 -12.061 4.511 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.090 -10.383 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.375 -11.705 2.775 1.00 0.00 H new ATOM 467 N GLU A 30 69.313 -9.250 4.424 1.00 0.00 N ATOM 468 CA GLU A 30 70.706 -8.893 4.806 1.00 0.00 C ATOM 469 C GLU A 30 71.611 -10.104 4.598 1.00 0.00 C ATOM 470 O GLU A 30 72.765 -9.979 4.241 1.00 0.00 O ATOM 471 CB GLU A 30 70.633 -8.521 6.287 1.00 0.00 C ATOM 472 CG GLU A 30 71.345 -7.186 6.513 1.00 0.00 C ATOM 473 CD GLU A 30 72.804 -7.443 6.892 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.603 -7.647 5.992 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.098 -7.435 8.076 1.00 0.00 O ATOM 0 H GLU A 30 68.600 -9.028 5.119 1.00 0.00 H new ATOM 0 HA GLU A 30 71.111 -8.075 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.593 -8.449 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.097 -9.300 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.295 -6.578 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.846 -6.625 7.303 1.00 0.00 H new ATOM 482 N ASP A 31 71.089 -11.281 4.807 1.00 0.00 N ATOM 483 CA ASP A 31 71.910 -12.506 4.608 1.00 0.00 C ATOM 484 C ASP A 31 72.466 -12.515 3.186 1.00 0.00 C ATOM 485 O ASP A 31 73.662 -12.551 2.972 1.00 0.00 O ATOM 486 CB ASP A 31 70.945 -13.674 4.818 1.00 0.00 C ATOM 487 CG ASP A 31 71.688 -14.839 5.475 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.459 -15.487 4.786 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.474 -15.064 6.654 1.00 0.00 O ATOM 0 H ASP A 31 70.128 -11.446 5.107 1.00 0.00 H new ATOM 0 HA ASP A 31 72.757 -12.562 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.110 -13.361 5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.525 -13.989 3.863 1.00 0.00 H new ATOM 494 N GLU A 32 71.602 -12.465 2.212 1.00 0.00 N ATOM 495 CA GLU A 32 72.076 -12.451 0.801 1.00 0.00 C ATOM 496 C GLU A 32 72.944 -11.215 0.572 1.00 0.00 C ATOM 497 O GLU A 32 73.939 -11.254 -0.131 1.00 0.00 O ATOM 498 CB GLU A 32 70.807 -12.385 -0.048 1.00 0.00 C ATOM 499 CG GLU A 32 70.271 -13.800 -0.274 1.00 0.00 C ATOM 500 CD GLU A 32 70.027 -14.476 1.076 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.543 -13.806 1.974 1.00 0.00 O ATOM 502 OE2 GLU A 32 70.331 -15.653 1.191 1.00 0.00 O ATOM 0 H GLU A 32 70.590 -12.433 2.332 1.00 0.00 H new ATOM 0 HA GLU A 32 72.678 -13.324 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.054 -11.775 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.021 -11.908 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.344 -13.762 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.984 -14.381 -0.860 1.00 0.00 H new ATOM 509 N LEU A 33 72.591 -10.124 1.190 1.00 0.00 N ATOM 510 CA LEU A 33 73.405 -8.895 1.036 1.00 0.00 C ATOM 511 C LEU A 33 74.740 -9.131 1.722 1.00 0.00 C ATOM 512 O LEU A 33 75.780 -8.696 1.264 1.00 0.00 O ATOM 513 CB LEU A 33 72.615 -7.792 1.741 1.00 0.00 C ATOM 514 CG LEU A 33 71.322 -7.519 0.971 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.369 -6.700 1.846 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.644 -6.734 -0.302 1.00 0.00 C ATOM 0 H LEU A 33 71.774 -10.033 1.794 1.00 0.00 H new ATOM 0 HA LEU A 33 73.596 -8.626 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.386 -8.091 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.214 -6.883 1.802 1.00 0.00 H new ATOM 0 HG LEU A 33 70.850 -8.465 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.448 -6.506 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.140 -7.257 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.841 -5.753 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.723 -6.539 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 33 72.116 -5.788 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.323 -7.315 -0.926 1.00 0.00 H new ATOM 528 N LYS A 34 74.717 -9.846 2.812 1.00 0.00 N ATOM 529 CA LYS A 34 75.979 -10.142 3.525 1.00 0.00 C ATOM 530 C LYS A 34 76.807 -11.102 2.682 1.00 0.00 C ATOM 531 O LYS A 34 78.022 -11.090 2.703 1.00 0.00 O ATOM 532 CB LYS A 34 75.560 -10.790 4.845 1.00 0.00 C ATOM 533 CG LYS A 34 76.785 -11.404 5.525 1.00 0.00 C ATOM 534 CD LYS A 34 76.770 -11.056 7.015 1.00 0.00 C ATOM 535 CE LYS A 34 78.155 -11.315 7.614 1.00 0.00 C ATOM 536 NZ LYS A 34 79.060 -10.362 6.916 1.00 0.00 N ATOM 0 H LYS A 34 73.875 -10.236 3.236 1.00 0.00 H new ATOM 0 HA LYS A 34 76.585 -9.254 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.103 -10.047 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 34 74.809 -11.559 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 34 76.783 -12.486 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.698 -11.028 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.492 -10.011 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.021 -11.656 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.158 -11.145 8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.468 -12.347 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.803 -10.045 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.497 -10.834 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.513 -9.540 6.589 1.00 0.00 H new ATOM 550 N GLU A 35 76.143 -11.920 1.924 1.00 0.00 N ATOM 551 CA GLU A 35 76.855 -12.880 1.046 1.00 0.00 C ATOM 552 C GLU A 35 77.384 -12.137 -0.179 1.00 0.00 C ATOM 553 O GLU A 35 78.419 -12.467 -0.724 1.00 0.00 O ATOM 554 CB GLU A 35 75.803 -13.913 0.642 1.00 0.00 C ATOM 555 CG GLU A 35 76.494 -15.147 0.060 1.00 0.00 C ATOM 556 CD GLU A 35 75.553 -16.350 0.147 1.00 0.00 C ATOM 557 OE1 GLU A 35 75.313 -16.810 1.251 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.088 -16.790 -0.891 1.00 0.00 O ATOM 0 H GLU A 35 75.125 -11.965 1.875 1.00 0.00 H new ATOM 0 HA GLU A 35 77.705 -13.354 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.203 -14.194 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.121 -13.485 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.773 -14.965 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.415 -15.352 0.606 1.00 0.00 H new ATOM 565 N VAL A 36 76.683 -11.120 -0.602 1.00 0.00 N ATOM 566 CA VAL A 36 77.144 -10.333 -1.777 1.00 0.00 C ATOM 567 C VAL A 36 78.184 -9.317 -1.313 1.00 0.00 C ATOM 568 O VAL A 36 79.200 -9.111 -1.946 1.00 0.00 O ATOM 569 CB VAL A 36 75.891 -9.621 -2.295 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.296 -8.444 -3.188 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.046 -10.604 -3.106 1.00 0.00 C ATOM 0 H VAL A 36 75.810 -10.801 -0.182 1.00 0.00 H new ATOM 0 HA VAL A 36 77.601 -10.949 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 36 75.312 -9.250 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.401 -7.940 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.898 -7.741 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.877 -8.812 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.154 -10.098 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.628 -10.975 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.753 -11.441 -2.472 1.00 0.00 H new ATOM 581 N PHE A 37 77.929 -8.678 -0.206 1.00 0.00 N ATOM 582 CA PHE A 37 78.879 -7.676 0.315 1.00 0.00 C ATOM 583 C PHE A 37 79.683 -8.257 1.482 1.00 0.00 C ATOM 584 O PHE A 37 79.625 -7.768 2.593 1.00 0.00 O ATOM 585 CB PHE A 37 77.983 -6.540 0.790 1.00 0.00 C ATOM 586 CG PHE A 37 77.160 -6.036 -0.369 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.792 -5.626 -1.550 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.765 -5.984 -0.267 1.00 0.00 C ATOM 589 CE1 PHE A 37 77.028 -5.165 -2.628 1.00 0.00 C ATOM 590 CE2 PHE A 37 75.001 -5.522 -1.345 1.00 0.00 C ATOM 591 CZ PHE A 37 75.633 -5.112 -2.526 1.00 0.00 C ATOM 0 H PHE A 37 77.092 -8.814 0.361 1.00 0.00 H new ATOM 0 HA PHE A 37 79.608 -7.354 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.330 -6.887 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.588 -5.731 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.868 -5.666 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.278 -6.300 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 37 77.515 -4.850 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.925 -5.482 -1.266 1.00 0.00 H new ATOM 0 HZ PHE A 37 75.044 -4.755 -3.358 1.00 0.00 H new ATOM 601 N GLU A 38 80.432 -9.299 1.239 1.00 0.00 N ATOM 602 CA GLU A 38 81.237 -9.910 2.337 1.00 0.00 C ATOM 603 C GLU A 38 82.499 -9.081 2.595 1.00 0.00 C ATOM 604 O GLU A 38 83.342 -9.449 3.388 1.00 0.00 O ATOM 605 CB GLU A 38 81.605 -11.304 1.829 1.00 0.00 C ATOM 606 CG GLU A 38 81.743 -12.260 3.015 1.00 0.00 C ATOM 607 CD GLU A 38 82.305 -13.598 2.532 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.452 -13.621 2.118 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.579 -14.577 2.584 1.00 0.00 O ATOM 0 H GLU A 38 80.521 -9.753 0.330 1.00 0.00 H new ATOM 0 HA GLU A 38 80.688 -9.950 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.839 -11.667 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.540 -11.264 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.402 -11.828 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.773 -12.411 3.488 1.00 0.00 H new ATOM 616 N ASP A 39 82.634 -7.965 1.932 1.00 0.00 N ATOM 617 CA ASP A 39 83.842 -7.117 2.140 1.00 0.00 C ATOM 618 C ASP A 39 83.437 -5.746 2.690 1.00 0.00 C ATOM 619 O ASP A 39 84.271 -4.942 3.057 1.00 0.00 O ATOM 620 CB ASP A 39 84.468 -6.972 0.753 1.00 0.00 C ATOM 621 CG ASP A 39 85.947 -7.359 0.818 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.495 -7.345 1.907 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.506 -7.661 -0.224 1.00 0.00 O ATOM 0 H ASP A 39 81.961 -7.604 1.256 1.00 0.00 H new ATOM 0 HA ASP A 39 84.536 -7.556 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.946 -7.608 0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 39 84.365 -5.946 0.401 1.00 0.00 H new ATOM 628 N ALA A 40 82.163 -5.470 2.746 1.00 0.00 N ATOM 629 CA ALA A 40 81.707 -4.150 3.269 1.00 0.00 C ATOM 630 C ALA A 40 81.597 -4.192 4.796 1.00 0.00 C ATOM 631 O ALA A 40 81.758 -5.228 5.410 1.00 0.00 O ATOM 632 CB ALA A 40 80.333 -3.929 2.638 1.00 0.00 C ATOM 0 H ALA A 40 81.418 -6.101 2.452 1.00 0.00 H new ATOM 0 HA ALA A 40 82.403 -3.347 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.927 -2.975 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.428 -3.921 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.662 -4.734 2.937 1.00 0.00 H new ATOM 638 N LEU A 41 81.320 -3.075 5.413 1.00 0.00 N ATOM 639 CA LEU A 41 81.196 -3.057 6.896 1.00 0.00 C ATOM 640 C LEU A 41 79.914 -3.766 7.312 1.00 0.00 C ATOM 641 O LEU A 41 79.896 -4.552 8.238 1.00 0.00 O ATOM 642 CB LEU A 41 81.112 -1.581 7.284 1.00 0.00 C ATOM 643 CG LEU A 41 82.246 -0.807 6.623 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.320 0.597 7.228 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.566 -1.539 6.863 1.00 0.00 C ATOM 0 H LEU A 41 81.175 -2.176 4.954 1.00 0.00 H new ATOM 0 HA LEU A 41 82.034 -3.560 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.151 -1.169 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.172 -1.477 8.367 1.00 0.00 H new ATOM 0 HG LEU A 41 82.064 -0.731 5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.130 1.154 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.377 1.116 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.506 0.522 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.379 -0.987 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.752 -1.613 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.510 -2.540 6.435 1.00 0.00 H new ATOM 657 N GLU A 42 78.841 -3.481 6.632 1.00 0.00 N ATOM 658 CA GLU A 42 77.543 -4.123 6.990 1.00 0.00 C ATOM 659 C GLU A 42 76.436 -3.661 6.042 1.00 0.00 C ATOM 660 O GLU A 42 76.608 -2.741 5.267 1.00 0.00 O ATOM 661 CB GLU A 42 77.256 -3.654 8.420 1.00 0.00 C ATOM 662 CG GLU A 42 76.770 -2.202 8.400 1.00 0.00 C ATOM 663 CD GLU A 42 75.298 -2.150 8.811 1.00 0.00 C ATOM 664 OE1 GLU A 42 74.537 -2.968 8.321 1.00 0.00 O ATOM 665 OE2 GLU A 42 74.956 -1.293 9.611 1.00 0.00 O ATOM 0 H GLU A 42 78.804 -2.833 5.845 1.00 0.00 H new ATOM 0 HA GLU A 42 77.586 -5.209 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.502 -4.294 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 42 78.157 -3.738 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.370 -1.597 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 42 76.895 -1.779 7.403 1.00 0.00 H new ATOM 672 N ILE A 43 75.299 -4.293 6.106 1.00 0.00 N ATOM 673 CA ILE A 43 74.172 -3.895 5.215 1.00 0.00 C ATOM 674 C ILE A 43 72.886 -3.732 6.026 1.00 0.00 C ATOM 675 O ILE A 43 72.683 -4.387 7.030 1.00 0.00 O ATOM 676 CB ILE A 43 74.030 -5.042 4.218 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.266 -5.084 3.317 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.784 -4.823 3.359 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.889 -6.478 3.370 1.00 0.00 C ATOM 0 H ILE A 43 75.100 -5.069 6.737 1.00 0.00 H new ATOM 0 HA ILE A 43 74.358 -2.942 4.719 1.00 0.00 H new ATOM 0 HB ILE A 43 73.937 -5.984 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.990 -4.836 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.991 -4.338 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.684 -5.643 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.902 -4.788 3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.876 -3.882 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.769 -6.508 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.179 -6.708 4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.163 -7.214 3.025 1.00 0.00 H new ATOM 691 N ARG A 44 72.015 -2.863 5.597 1.00 0.00 N ATOM 692 CA ARG A 44 70.738 -2.653 6.335 1.00 0.00 C ATOM 693 C ARG A 44 69.550 -2.966 5.423 1.00 0.00 C ATOM 694 O ARG A 44 69.656 -2.925 4.212 1.00 0.00 O ATOM 695 CB ARG A 44 70.749 -1.175 6.724 1.00 0.00 C ATOM 696 CG ARG A 44 71.218 -1.032 8.172 1.00 0.00 C ATOM 697 CD ARG A 44 70.409 0.066 8.866 1.00 0.00 C ATOM 698 NE ARG A 44 71.193 0.406 10.086 1.00 0.00 N ATOM 699 CZ ARG A 44 72.003 1.430 10.077 1.00 0.00 C ATOM 700 NH1 ARG A 44 71.525 2.638 9.957 1.00 0.00 N ATOM 701 NH2 ARG A 44 73.290 1.244 10.186 1.00 0.00 N ATOM 0 H ARG A 44 72.133 -2.287 4.764 1.00 0.00 H new ATOM 0 HA ARG A 44 70.646 -3.301 7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.410 -0.618 6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.751 -0.751 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.095 -1.978 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.280 -0.788 8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.287 0.935 8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.409 -0.283 9.123 1.00 0.00 H new ATOM 0 HE ARG A 44 71.097 -0.161 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 44 70.519 2.782 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 44 72.157 3.438 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 44 73.663 0.299 10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 44 73.923 2.044 10.179 1.00 0.00 H new ATOM 715 N LEU A 45 68.417 -3.279 5.992 1.00 0.00 N ATOM 716 CA LEU A 45 67.224 -3.597 5.157 1.00 0.00 C ATOM 717 C LEU A 45 66.288 -2.390 5.098 1.00 0.00 C ATOM 718 O LEU A 45 66.246 -1.580 6.003 1.00 0.00 O ATOM 719 CB LEU A 45 66.547 -4.769 5.871 1.00 0.00 C ATOM 720 CG LEU A 45 65.945 -5.722 4.836 1.00 0.00 C ATOM 721 CD1 LEU A 45 64.819 -5.014 4.080 1.00 0.00 C ATOM 722 CD2 LEU A 45 67.029 -6.152 3.846 1.00 0.00 C ATOM 0 H LEU A 45 68.266 -3.328 7.000 1.00 0.00 H new ATOM 0 HA LEU A 45 67.489 -3.844 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.271 -5.299 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.767 -4.400 6.538 1.00 0.00 H new ATOM 0 HG LEU A 45 65.545 -6.600 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 45 64.392 -5.694 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.045 -4.708 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.217 -4.135 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.600 -6.831 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.429 -5.273 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 45 67.831 -6.659 4.382 1.00 0.00 H new ATOM 734 N VAL A 46 65.537 -2.262 4.040 1.00 0.00 N ATOM 735 CA VAL A 46 64.608 -1.104 3.928 1.00 0.00 C ATOM 736 C VAL A 46 63.362 -1.486 3.123 1.00 0.00 C ATOM 737 O VAL A 46 63.442 -2.028 2.026 1.00 0.00 O ATOM 738 CB VAL A 46 65.408 -0.018 3.215 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.548 1.238 3.079 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.661 0.304 4.032 1.00 0.00 C ATOM 0 H VAL A 46 65.526 -2.907 3.250 1.00 0.00 H new ATOM 0 HA VAL A 46 64.252 -0.769 4.902 1.00 0.00 H new ATOM 0 HB VAL A 46 65.699 -0.366 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.117 2.016 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.654 1.006 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.259 1.590 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.236 1.080 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.370 0.656 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.271 -0.594 4.131 1.00 0.00 H new ATOM 750 N SER A 47 62.210 -1.203 3.674 1.00 0.00 N ATOM 751 CA SER A 47 60.932 -1.533 2.986 1.00 0.00 C ATOM 752 C SER A 47 60.069 -0.278 2.837 1.00 0.00 C ATOM 753 O SER A 47 60.566 0.809 2.619 1.00 0.00 O ATOM 754 CB SER A 47 60.251 -2.540 3.908 1.00 0.00 C ATOM 755 OG SER A 47 61.233 -3.186 4.707 1.00 0.00 O ATOM 0 H SER A 47 62.102 -0.752 4.582 1.00 0.00 H new ATOM 0 HA SER A 47 61.089 -1.928 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.524 -2.034 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.703 -3.276 3.320 1.00 0.00 H new ATOM 0 HG SER A 47 60.798 -3.832 5.301 1.00 0.00 H new ATOM 761 N GLN A 48 58.777 -0.420 2.956 1.00 0.00 N ATOM 762 CA GLN A 48 57.880 0.763 2.825 1.00 0.00 C ATOM 763 C GLN A 48 57.407 1.223 4.206 1.00 0.00 C ATOM 764 O GLN A 48 56.263 1.585 4.393 1.00 0.00 O ATOM 765 CB GLN A 48 56.697 0.272 1.990 1.00 0.00 C ATOM 766 CG GLN A 48 56.588 1.110 0.714 1.00 0.00 C ATOM 767 CD GLN A 48 55.547 0.487 -0.218 1.00 0.00 C ATOM 768 OE1 GLN A 48 55.089 -0.613 0.012 1.00 0.00 O ATOM 769 NE2 GLN A 48 55.153 1.152 -1.271 1.00 0.00 N ATOM 0 H GLN A 48 58.304 -1.305 3.138 1.00 0.00 H new ATOM 0 HA GLN A 48 58.382 1.613 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 48 56.829 -0.780 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 48 55.775 0.347 2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 48 56.304 2.133 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 48 57.556 1.159 0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 48 55.538 2.077 -1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 48 54.460 0.747 -1.900 1.00 0.00 H new ATOM 778 N ASP A 49 58.281 1.211 5.177 1.00 0.00 N ATOM 779 CA ASP A 49 57.884 1.648 6.547 1.00 0.00 C ATOM 780 C ASP A 49 56.892 0.652 7.155 1.00 0.00 C ATOM 781 O ASP A 49 56.347 0.875 8.219 1.00 0.00 O ATOM 782 CB ASP A 49 57.224 3.014 6.356 1.00 0.00 C ATOM 783 CG ASP A 49 57.750 3.988 7.412 1.00 0.00 C ATOM 784 OD1 ASP A 49 58.854 3.777 7.886 1.00 0.00 O ATOM 785 OD2 ASP A 49 57.039 4.927 7.730 1.00 0.00 O ATOM 0 H ASP A 49 59.253 0.917 5.080 1.00 0.00 H new ATOM 0 HA ASP A 49 58.736 1.700 7.224 1.00 0.00 H new ATOM 0 HB2 ASP A 49 57.436 3.395 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 49 56.141 2.921 6.439 1.00 0.00 H new ATOM 790 N GLY A 50 56.652 -0.445 6.490 1.00 0.00 N ATOM 791 CA GLY A 50 55.696 -1.451 7.034 1.00 0.00 C ATOM 792 C GLY A 50 55.398 -2.509 5.968 1.00 0.00 C ATOM 793 O GLY A 50 54.296 -3.013 5.872 1.00 0.00 O ATOM 0 H GLY A 50 57.076 -0.688 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.116 -1.924 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.772 -0.960 7.341 1.00 0.00 H new ATOM 797 N LYS A 51 56.371 -2.850 5.167 1.00 0.00 N ATOM 798 CA LYS A 51 56.142 -3.874 4.109 1.00 0.00 C ATOM 799 C LYS A 51 57.384 -3.986 3.227 1.00 0.00 C ATOM 800 O LYS A 51 57.791 -3.029 2.598 1.00 0.00 O ATOM 801 CB LYS A 51 54.952 -3.353 3.302 1.00 0.00 C ATOM 802 CG LYS A 51 53.748 -4.272 3.517 1.00 0.00 C ATOM 803 CD LYS A 51 52.461 -3.515 3.182 1.00 0.00 C ATOM 804 CE LYS A 51 51.269 -4.470 3.273 1.00 0.00 C ATOM 805 NZ LYS A 51 51.146 -5.061 1.912 1.00 0.00 N ATOM 0 H LYS A 51 57.314 -2.463 5.200 1.00 0.00 H new ATOM 0 HA LYS A 51 55.946 -4.865 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.707 -2.337 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.207 -3.312 2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 51 53.836 -5.157 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 51 53.721 -4.617 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.327 -2.682 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 51 52.526 -3.092 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 51 51.437 -5.241 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 51 50.360 -3.941 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 50.348 -5.728 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 50.980 -4.304 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 52.024 -5.564 1.671 1.00 0.00 H new ATOM 819 N SER A 52 57.989 -5.146 3.185 1.00 0.00 N ATOM 820 CA SER A 52 59.213 -5.327 2.353 1.00 0.00 C ATOM 821 C SER A 52 59.097 -4.541 1.049 1.00 0.00 C ATOM 822 O SER A 52 58.132 -4.657 0.321 1.00 0.00 O ATOM 823 CB SER A 52 59.280 -6.820 2.067 1.00 0.00 C ATOM 824 OG SER A 52 60.640 -7.234 2.045 1.00 0.00 O ATOM 0 H SER A 52 57.686 -5.977 3.693 1.00 0.00 H new ATOM 0 HA SER A 52 60.107 -4.965 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.732 -7.373 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.805 -7.040 1.111 1.00 0.00 H new ATOM 0 HG SER A 52 60.686 -8.196 1.863 1.00 0.00 H new ATOM 830 N LYS A 53 60.080 -3.745 0.752 1.00 0.00 N ATOM 831 CA LYS A 53 60.044 -2.949 -0.505 1.00 0.00 C ATOM 832 C LYS A 53 61.213 -3.359 -1.396 1.00 0.00 C ATOM 833 O LYS A 53 61.246 -3.071 -2.575 1.00 0.00 O ATOM 834 CB LYS A 53 60.186 -1.492 -0.061 1.00 0.00 C ATOM 835 CG LYS A 53 59.753 -0.567 -1.201 1.00 0.00 C ATOM 836 CD LYS A 53 60.402 0.806 -1.018 1.00 0.00 C ATOM 837 CE LYS A 53 59.494 1.885 -1.610 1.00 0.00 C ATOM 838 NZ LYS A 53 60.173 2.314 -2.863 1.00 0.00 N ATOM 0 H LYS A 53 60.912 -3.609 1.327 1.00 0.00 H new ATOM 0 HA LYS A 53 59.129 -3.103 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.575 -1.309 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.219 -1.285 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.044 -0.994 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.667 -0.469 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 53 60.573 1.001 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 53 61.376 0.827 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.498 1.494 -1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.373 2.721 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 59.609 3.054 -3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 61.116 2.688 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 60.268 1.499 -3.503 1.00 0.00 H new ATOM 852 N GLY A 54 62.171 -4.041 -0.833 1.00 0.00 N ATOM 853 CA GLY A 54 63.339 -4.484 -1.634 1.00 0.00 C ATOM 854 C GLY A 54 64.453 -3.440 -1.551 1.00 0.00 C ATOM 855 O GLY A 54 65.265 -3.322 -2.447 1.00 0.00 O ATOM 0 H GLY A 54 62.193 -4.310 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.700 -5.444 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.044 -4.632 -2.673 1.00 0.00 H new ATOM 859 N ILE A 55 64.515 -2.680 -0.487 1.00 0.00 N ATOM 860 CA ILE A 55 65.600 -1.664 -0.387 1.00 0.00 C ATOM 861 C ILE A 55 66.501 -1.990 0.803 1.00 0.00 C ATOM 862 O ILE A 55 66.091 -2.650 1.734 1.00 0.00 O ATOM 863 CB ILE A 55 64.880 -0.332 -0.180 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.718 -0.224 -1.170 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.859 0.819 -0.420 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.229 -0.489 -2.587 1.00 0.00 C ATOM 0 H ILE A 55 63.872 -2.719 0.304 1.00 0.00 H new ATOM 0 HA ILE A 55 66.237 -1.639 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 55 64.498 -0.279 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 55 62.939 -0.942 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.269 0.768 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.346 1.770 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.690 0.742 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.239 0.766 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.402 -0.412 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.993 0.246 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.658 -1.490 -2.638 1.00 0.00 H new ATOM 878 N ALA A 56 67.728 -1.544 0.782 1.00 0.00 N ATOM 879 CA ALA A 56 68.637 -1.845 1.924 1.00 0.00 C ATOM 880 C ALA A 56 69.844 -0.907 1.907 1.00 0.00 C ATOM 881 O ALA A 56 70.255 -0.426 0.870 1.00 0.00 O ATOM 882 CB ALA A 56 69.081 -3.291 1.707 1.00 0.00 C ATOM 0 H ALA A 56 68.137 -0.989 0.030 1.00 0.00 H new ATOM 0 HA ALA A 56 68.145 -1.708 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.755 -3.589 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.208 -3.943 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.597 -3.374 0.750 1.00 0.00 H new ATOM 888 N TYR A 57 70.421 -0.647 3.046 1.00 0.00 N ATOM 889 CA TYR A 57 71.608 0.252 3.090 1.00 0.00 C ATOM 890 C TYR A 57 72.883 -0.592 3.138 1.00 0.00 C ATOM 891 O TYR A 57 72.890 -1.687 3.660 1.00 0.00 O ATOM 892 CB TYR A 57 71.444 1.071 4.370 1.00 0.00 C ATOM 893 CG TYR A 57 71.087 2.494 4.012 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.041 3.327 3.417 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.800 2.979 4.274 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.708 4.645 3.082 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.467 4.296 3.940 1.00 0.00 C ATOM 898 CZ TYR A 57 70.421 5.130 3.344 1.00 0.00 C ATOM 899 OH TYR A 57 70.093 6.429 3.015 1.00 0.00 O ATOM 0 H TYR A 57 70.123 -1.018 3.948 1.00 0.00 H new ATOM 0 HA TYR A 57 71.682 0.898 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.665 0.636 4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.367 1.051 4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.034 2.953 3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.064 2.336 4.734 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.444 5.288 2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.474 4.670 4.142 1.00 0.00 H new ATOM 0 HH TYR A 57 69.161 6.604 3.263 1.00 0.00 H new ATOM 909 N ILE A 58 73.960 -0.104 2.588 1.00 0.00 N ATOM 910 CA ILE A 58 75.218 -0.905 2.600 1.00 0.00 C ATOM 911 C ILE A 58 76.433 -0.007 2.837 1.00 0.00 C ATOM 912 O ILE A 58 76.726 0.880 2.061 1.00 0.00 O ATOM 913 CB ILE A 58 75.286 -1.543 1.212 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.913 -2.110 0.843 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.315 -2.675 1.219 1.00 0.00 C ATOM 916 CD1 ILE A 58 74.029 -2.943 -0.434 1.00 0.00 C ATOM 0 H ILE A 58 74.025 0.807 2.134 1.00 0.00 H new ATOM 0 HA ILE A 58 75.223 -1.647 3.398 1.00 0.00 H new ATOM 0 HB ILE A 58 75.579 -0.789 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.532 -2.726 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.200 -1.298 0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.363 -3.129 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.294 -2.275 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 58 76.022 -3.428 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 58 73.051 -3.346 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.391 -2.314 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.728 -3.764 -0.271 1.00 0.00 H new ATOM 928 N GLU A 59 77.152 -0.241 3.902 1.00 0.00 N ATOM 929 CA GLU A 59 78.359 0.587 4.186 1.00 0.00 C ATOM 930 C GLU A 59 79.617 -0.244 3.938 1.00 0.00 C ATOM 931 O GLU A 59 79.964 -1.105 4.724 1.00 0.00 O ATOM 932 CB GLU A 59 78.258 0.964 5.666 1.00 0.00 C ATOM 933 CG GLU A 59 76.826 1.386 5.995 1.00 0.00 C ATOM 934 CD GLU A 59 76.824 2.824 6.517 1.00 0.00 C ATOM 935 OE1 GLU A 59 77.876 3.288 6.924 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.770 3.438 6.499 1.00 0.00 O ATOM 0 H GLU A 59 76.955 -0.970 4.588 1.00 0.00 H new ATOM 0 HA GLU A 59 78.413 1.470 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.549 0.117 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.948 1.777 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.200 1.310 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.401 0.716 6.742 1.00 0.00 H new ATOM 943 N PHE A 60 80.301 -0.008 2.854 1.00 0.00 N ATOM 944 CA PHE A 60 81.527 -0.803 2.576 1.00 0.00 C ATOM 945 C PHE A 60 82.700 -0.271 3.397 1.00 0.00 C ATOM 946 O PHE A 60 82.582 0.702 4.113 1.00 0.00 O ATOM 947 CB PHE A 60 81.803 -0.634 1.083 1.00 0.00 C ATOM 948 CG PHE A 60 80.746 -1.362 0.285 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.457 -0.827 0.173 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.058 -2.573 -0.345 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.482 -1.503 -0.568 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.082 -3.249 -1.085 1.00 0.00 C ATOM 953 CZ PHE A 60 78.793 -2.714 -1.197 1.00 0.00 C ATOM 0 H PHE A 60 80.066 0.696 2.154 1.00 0.00 H new ATOM 0 HA PHE A 60 81.396 -1.852 2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.806 0.424 0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.791 -1.025 0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.216 0.107 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.053 -2.985 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.488 -1.090 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.323 -4.184 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.039 -3.235 -1.768 1.00 0.00 H new ATOM 963 N LYS A 61 83.829 -0.907 3.294 1.00 0.00 N ATOM 964 CA LYS A 61 85.018 -0.448 4.068 1.00 0.00 C ATOM 965 C LYS A 61 85.721 0.687 3.323 1.00 0.00 C ATOM 966 O LYS A 61 86.480 1.443 3.895 1.00 0.00 O ATOM 967 CB LYS A 61 85.927 -1.673 4.162 1.00 0.00 C ATOM 968 CG LYS A 61 87.081 -1.381 5.123 1.00 0.00 C ATOM 969 CD LYS A 61 87.178 -2.501 6.160 1.00 0.00 C ATOM 970 CE LYS A 61 88.569 -2.486 6.800 1.00 0.00 C ATOM 971 NZ LYS A 61 89.432 -3.257 5.863 1.00 0.00 N ATOM 0 H LYS A 61 83.983 -1.727 2.707 1.00 0.00 H new ATOM 0 HA LYS A 61 84.750 -0.065 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.358 -2.535 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.316 -1.926 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 61 88.017 -1.301 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.921 -0.424 5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 61 86.413 -2.370 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 61 86.994 -3.466 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.935 -1.467 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.553 -2.943 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.376 -2.823 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.515 -4.239 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.008 -3.248 4.913 1.00 0.00 H new ATOM 985 N SER A 62 85.472 0.811 2.049 1.00 0.00 N ATOM 986 CA SER A 62 86.123 1.896 1.265 1.00 0.00 C ATOM 987 C SER A 62 85.391 2.099 -0.063 1.00 0.00 C ATOM 988 O SER A 62 84.731 1.208 -0.566 1.00 0.00 O ATOM 989 CB SER A 62 87.551 1.408 1.019 1.00 0.00 C ATOM 990 OG SER A 62 87.855 0.358 1.928 1.00 0.00 O ATOM 0 H SER A 62 84.845 0.207 1.517 1.00 0.00 H new ATOM 0 HA SER A 62 86.104 2.851 1.789 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.655 1.057 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 62 88.255 2.230 1.147 1.00 0.00 H new ATOM 0 HG SER A 62 88.770 0.044 1.770 1.00 0.00 H new ATOM 996 N GLU A 63 85.505 3.264 -0.639 1.00 0.00 N ATOM 997 CA GLU A 63 84.821 3.519 -1.935 1.00 0.00 C ATOM 998 C GLU A 63 85.153 2.400 -2.922 1.00 0.00 C ATOM 999 O GLU A 63 84.315 1.958 -3.680 1.00 0.00 O ATOM 1000 CB GLU A 63 85.380 4.855 -2.426 1.00 0.00 C ATOM 1001 CG GLU A 63 85.276 5.894 -1.308 1.00 0.00 C ATOM 1002 CD GLU A 63 86.679 6.355 -0.908 1.00 0.00 C ATOM 1003 OE1 GLU A 63 87.458 5.518 -0.483 1.00 0.00 O ATOM 1004 OE2 GLU A 63 86.949 7.538 -1.031 1.00 0.00 O ATOM 0 H GLU A 63 86.041 4.048 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 63 83.736 3.550 -1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 63 86.420 4.736 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.827 5.192 -3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.683 6.746 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.763 5.467 -0.447 1.00 0.00 H new ATOM 1011 N ALA A 64 86.372 1.934 -2.912 1.00 0.00 N ATOM 1012 CA ALA A 64 86.755 0.842 -3.844 1.00 0.00 C ATOM 1013 C ALA A 64 85.931 -0.407 -3.538 1.00 0.00 C ATOM 1014 O ALA A 64 85.481 -1.098 -4.429 1.00 0.00 O ATOM 1015 CB ALA A 64 88.240 0.590 -3.580 1.00 0.00 C ATOM 0 H ALA A 64 87.117 2.264 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 64 86.574 1.100 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.596 -0.207 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.804 1.501 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.380 0.295 -2.540 1.00 0.00 H new ATOM 1021 N ASP A 65 85.711 -0.688 -2.285 1.00 0.00 N ATOM 1022 CA ASP A 65 84.895 -1.880 -1.932 1.00 0.00 C ATOM 1023 C ASP A 65 83.463 -1.643 -2.401 1.00 0.00 C ATOM 1024 O ASP A 65 82.895 -2.429 -3.134 1.00 0.00 O ATOM 1025 CB ASP A 65 84.959 -1.976 -0.407 1.00 0.00 C ATOM 1026 CG ASP A 65 86.222 -2.735 0.005 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.076 -2.929 -0.845 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.313 -3.110 1.162 1.00 0.00 O ATOM 0 H ASP A 65 86.059 -0.146 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 65 85.253 -2.799 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.963 -0.978 0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.075 -2.487 -0.027 1.00 0.00 H new ATOM 1033 N ALA A 66 82.887 -0.545 -1.998 1.00 0.00 N ATOM 1034 CA ALA A 66 81.498 -0.231 -2.433 1.00 0.00 C ATOM 1035 C ALA A 66 81.466 -0.041 -3.953 1.00 0.00 C ATOM 1036 O ALA A 66 80.557 -0.487 -4.627 1.00 0.00 O ATOM 1037 CB ALA A 66 81.145 1.074 -1.720 1.00 0.00 C ATOM 0 H ALA A 66 83.318 0.148 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 66 80.792 -1.026 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.132 1.374 -1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.205 0.927 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.846 1.853 -2.019 1.00 0.00 H new ATOM 1043 N GLU A 67 82.456 0.617 -4.499 1.00 0.00 N ATOM 1044 CA GLU A 67 82.484 0.834 -5.972 1.00 0.00 C ATOM 1045 C GLU A 67 82.804 -0.478 -6.690 1.00 0.00 C ATOM 1046 O GLU A 67 82.211 -0.805 -7.700 1.00 0.00 O ATOM 1047 CB GLU A 67 83.594 1.860 -6.204 1.00 0.00 C ATOM 1048 CG GLU A 67 83.176 3.209 -5.616 1.00 0.00 C ATOM 1049 CD GLU A 67 82.689 4.126 -6.736 1.00 0.00 C ATOM 1050 OE1 GLU A 67 81.641 3.844 -7.294 1.00 0.00 O ATOM 1051 OE2 GLU A 67 83.371 5.097 -7.019 1.00 0.00 O ATOM 0 H GLU A 67 83.245 1.012 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 67 81.525 1.182 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.520 1.521 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.791 1.962 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.386 3.067 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 67 84.018 3.667 -5.097 1.00 0.00 H new ATOM 1058 N LYS A 68 83.733 -1.237 -6.175 1.00 0.00 N ATOM 1059 CA LYS A 68 84.078 -2.529 -6.829 1.00 0.00 C ATOM 1060 C LYS A 68 82.852 -3.436 -6.829 1.00 0.00 C ATOM 1061 O LYS A 68 82.537 -4.075 -7.813 1.00 0.00 O ATOM 1062 CB LYS A 68 85.193 -3.129 -5.971 1.00 0.00 C ATOM 1063 CG LYS A 68 85.478 -4.561 -6.430 1.00 0.00 C ATOM 1064 CD LYS A 68 85.699 -4.578 -7.944 1.00 0.00 C ATOM 1065 CE LYS A 68 87.002 -3.850 -8.278 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.850 -4.869 -8.957 1.00 0.00 N ATOM 0 H LYS A 68 84.265 -1.018 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 68 84.395 -2.406 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.095 -2.523 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.901 -3.124 -4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.359 -4.949 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.644 -5.211 -6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.742 -5.606 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.862 -4.097 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 68 86.820 -2.993 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.485 -3.472 -7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.763 -4.444 -9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 88.012 -5.670 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.368 -5.206 -9.815 1.00 0.00 H new ATOM 1080 N ASN A 69 82.148 -3.487 -5.734 1.00 0.00 N ATOM 1081 CA ASN A 69 80.932 -4.342 -5.671 1.00 0.00 C ATOM 1082 C ASN A 69 79.841 -3.754 -6.569 1.00 0.00 C ATOM 1083 O ASN A 69 79.179 -4.459 -7.306 1.00 0.00 O ATOM 1084 CB ASN A 69 80.502 -4.306 -4.206 1.00 0.00 C ATOM 1085 CG ASN A 69 80.904 -5.614 -3.523 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.062 -6.422 -3.187 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.167 -5.859 -3.304 1.00 0.00 N ATOM 0 H ASN A 69 82.362 -2.973 -4.879 1.00 0.00 H new ATOM 0 HA ASN A 69 81.116 -5.360 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.969 -3.461 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.424 -4.164 -4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.447 -6.729 -2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.874 -5.181 -3.586 1.00 0.00 H new ATOM 1094 N LEU A 70 79.654 -2.462 -6.515 1.00 0.00 N ATOM 1095 CA LEU A 70 78.611 -1.819 -7.365 1.00 0.00 C ATOM 1096 C LEU A 70 79.008 -1.898 -8.842 1.00 0.00 C ATOM 1097 O LEU A 70 78.174 -1.820 -9.723 1.00 0.00 O ATOM 1098 CB LEU A 70 78.562 -0.364 -6.890 1.00 0.00 C ATOM 1099 CG LEU A 70 77.902 0.510 -7.960 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.440 0.098 -8.127 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.971 1.977 -7.531 1.00 0.00 C ATOM 0 H LEU A 70 80.180 -1.824 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 70 77.641 -2.308 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.004 -0.295 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.571 -0.005 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 70 78.425 0.381 -8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.971 0.721 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.389 -0.947 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 70 75.915 0.226 -7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.502 2.601 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.447 2.104 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.013 2.273 -7.412 1.00 0.00 H new ATOM 1113 N GLU A 71 80.273 -2.047 -9.122 1.00 0.00 N ATOM 1114 CA GLU A 71 80.713 -2.126 -10.544 1.00 0.00 C ATOM 1115 C GLU A 71 81.046 -3.572 -10.924 1.00 0.00 C ATOM 1116 O GLU A 71 81.065 -3.928 -12.085 1.00 0.00 O ATOM 1117 CB GLU A 71 81.965 -1.251 -10.618 1.00 0.00 C ATOM 1118 CG GLU A 71 81.557 0.212 -10.796 1.00 0.00 C ATOM 1119 CD GLU A 71 81.518 0.554 -12.287 1.00 0.00 C ATOM 1120 OE1 GLU A 71 80.813 -0.129 -13.013 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.193 1.492 -12.678 1.00 0.00 O ATOM 0 H GLU A 71 81.019 -2.117 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 71 79.937 -1.792 -11.233 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.556 -1.366 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.594 -1.568 -11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.579 0.385 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.264 0.863 -10.281 1.00 0.00 H new ATOM 1128 N GLU A 72 81.319 -4.407 -9.957 1.00 0.00 N ATOM 1129 CA GLU A 72 81.660 -5.817 -10.269 1.00 0.00 C ATOM 1130 C GLU A 72 80.408 -6.701 -10.262 1.00 0.00 C ATOM 1131 O GLU A 72 80.260 -7.581 -11.086 1.00 0.00 O ATOM 1132 CB GLU A 72 82.627 -6.248 -9.168 1.00 0.00 C ATOM 1133 CG GLU A 72 83.238 -7.603 -9.529 1.00 0.00 C ATOM 1134 CD GLU A 72 83.947 -7.500 -10.881 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.990 -6.869 -10.934 1.00 0.00 O ATOM 1136 OE2 GLU A 72 83.433 -8.052 -11.840 1.00 0.00 O ATOM 0 H GLU A 72 81.319 -4.169 -8.965 1.00 0.00 H new ATOM 0 HA GLU A 72 82.099 -5.914 -11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.413 -5.503 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.103 -6.316 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.945 -7.912 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.460 -8.365 -9.572 1.00 0.00 H new ATOM 1143 N LYS A 73 79.508 -6.486 -9.338 1.00 0.00 N ATOM 1144 CA LYS A 73 78.282 -7.336 -9.294 1.00 0.00 C ATOM 1145 C LYS A 73 77.063 -6.500 -8.896 1.00 0.00 C ATOM 1146 O LYS A 73 76.001 -7.026 -8.633 1.00 0.00 O ATOM 1147 CB LYS A 73 78.571 -8.396 -8.231 1.00 0.00 C ATOM 1148 CG LYS A 73 79.990 -8.939 -8.421 1.00 0.00 C ATOM 1149 CD LYS A 73 80.265 -10.025 -7.378 1.00 0.00 C ATOM 1150 CE LYS A 73 80.707 -9.373 -6.066 1.00 0.00 C ATOM 1151 NZ LYS A 73 82.020 -10.000 -5.747 1.00 0.00 N ATOM 0 H LYS A 73 79.568 -5.766 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 73 78.058 -7.779 -10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.466 -7.965 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.847 -9.207 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.103 -9.347 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 73 80.716 -8.132 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.368 -10.623 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 73 81.039 -10.703 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.802 -8.293 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.981 -9.551 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 82.388 -9.603 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 81.898 -11.028 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 82.693 -9.808 -6.517 1.00 0.00 H new ATOM 1165 N GLN A 74 77.211 -5.205 -8.850 1.00 0.00 N ATOM 1166 CA GLN A 74 76.071 -4.330 -8.467 1.00 0.00 C ATOM 1167 C GLN A 74 75.302 -4.948 -7.295 1.00 0.00 C ATOM 1168 O GLN A 74 75.635 -4.742 -6.147 1.00 0.00 O ATOM 1169 CB GLN A 74 75.197 -4.252 -9.721 1.00 0.00 C ATOM 1170 CG GLN A 74 73.972 -3.380 -9.438 1.00 0.00 C ATOM 1171 CD GLN A 74 74.375 -1.905 -9.484 1.00 0.00 C ATOM 1172 OE1 GLN A 74 74.005 -1.135 -8.622 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.124 -1.474 -10.461 1.00 0.00 N ATOM 0 H GLN A 74 78.079 -4.714 -9.063 1.00 0.00 H new ATOM 0 HA GLN A 74 76.393 -3.342 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.769 -3.835 -10.550 1.00 0.00 H new ATOM 0 HB3 GLN A 74 74.883 -5.252 -10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 74 73.193 -3.578 -10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.556 -3.624 -8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.436 -2.119 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 74 75.397 -0.492 -10.499 1.00 0.00 H new ATOM 1182 N GLY A 75 74.284 -5.708 -7.572 1.00 0.00 N ATOM 1183 CA GLY A 75 73.507 -6.333 -6.468 1.00 0.00 C ATOM 1184 C GLY A 75 73.533 -7.856 -6.612 1.00 0.00 C ATOM 1185 O GLY A 75 72.601 -8.538 -6.232 1.00 0.00 O ATOM 0 H GLY A 75 73.956 -5.924 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 75 73.928 -6.043 -5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.478 -5.974 -6.487 1.00 0.00 H new ATOM 1189 N ALA A 76 74.595 -8.393 -7.151 1.00 0.00 N ATOM 1190 CA ALA A 76 74.691 -9.875 -7.313 1.00 0.00 C ATOM 1191 C ALA A 76 73.497 -10.418 -8.103 1.00 0.00 C ATOM 1192 O ALA A 76 72.362 -10.321 -7.682 1.00 0.00 O ATOM 1193 CB ALA A 76 74.683 -10.427 -5.888 1.00 0.00 C ATOM 0 H ALA A 76 75.403 -7.869 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 76 75.585 -10.166 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.751 -11.514 -5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.534 -10.026 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.758 -10.135 -5.390 1.00 0.00 H new ATOM 1199 N GLU A 77 73.745 -10.997 -9.247 1.00 0.00 N ATOM 1200 CA GLU A 77 72.626 -11.553 -10.060 1.00 0.00 C ATOM 1201 C GLU A 77 71.871 -12.619 -9.260 1.00 0.00 C ATOM 1202 O GLU A 77 72.239 -13.777 -9.250 1.00 0.00 O ATOM 1203 CB GLU A 77 73.298 -12.177 -11.284 1.00 0.00 C ATOM 1204 CG GLU A 77 72.262 -12.961 -12.092 1.00 0.00 C ATOM 1205 CD GLU A 77 72.679 -14.431 -12.165 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.496 -15.128 -11.181 1.00 0.00 O ATOM 1207 OE2 GLU A 77 73.172 -14.836 -13.205 1.00 0.00 O ATOM 0 H GLU A 77 74.674 -11.109 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 77 71.899 -10.790 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.744 -11.399 -11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 77 74.106 -12.838 -10.971 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.280 -12.873 -11.627 1.00 0.00 H new ATOM 0 HG3 GLU A 77 72.178 -12.545 -13.096 1.00 0.00 H new ATOM 1214 N ILE A 78 70.817 -12.238 -8.592 1.00 0.00 N ATOM 1215 CA ILE A 78 70.036 -13.228 -7.795 1.00 0.00 C ATOM 1216 C ILE A 78 68.545 -13.057 -8.084 1.00 0.00 C ATOM 1217 O ILE A 78 68.148 -12.194 -8.840 1.00 0.00 O ATOM 1218 CB ILE A 78 70.330 -12.901 -6.329 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.840 -12.751 -6.119 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.810 -14.032 -5.442 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.096 -11.862 -4.901 1.00 0.00 C ATOM 0 H ILE A 78 70.462 -11.282 -8.563 1.00 0.00 H new ATOM 0 HA ILE A 78 70.306 -14.256 -8.039 1.00 0.00 H new ATOM 0 HB ILE A 78 69.835 -11.966 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.297 -13.730 -5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.300 -12.314 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.019 -13.801 -4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.734 -14.139 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.306 -14.964 -5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.170 -11.753 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.652 -10.881 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.649 -12.318 -4.018 1.00 0.00 H new ATOM 1233 N ASP A 79 67.714 -13.867 -7.489 1.00 0.00 N ATOM 1234 CA ASP A 79 66.253 -13.737 -7.741 1.00 0.00 C ATOM 1235 C ASP A 79 66.003 -13.536 -9.237 1.00 0.00 C ATOM 1236 O ASP A 79 65.056 -12.891 -9.641 1.00 0.00 O ATOM 1237 CB ASP A 79 65.822 -12.500 -6.953 1.00 0.00 C ATOM 1238 CG ASP A 79 64.499 -12.783 -6.239 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.469 -12.694 -6.886 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.539 -13.083 -5.056 1.00 0.00 O ATOM 0 H ASP A 79 67.982 -14.609 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 79 65.696 -14.623 -7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.589 -12.233 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.710 -11.649 -7.625 1.00 0.00 H new ATOM 1245 N GLY A 80 66.854 -14.085 -10.063 1.00 0.00 N ATOM 1246 CA GLY A 80 66.680 -13.930 -11.527 1.00 0.00 C ATOM 1247 C GLY A 80 67.018 -12.494 -11.935 1.00 0.00 C ATOM 1248 O GLY A 80 66.472 -11.963 -12.882 1.00 0.00 O ATOM 0 H GLY A 80 67.664 -14.636 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 80 67.326 -14.631 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 80 65.654 -14.167 -11.809 1.00 0.00 H new ATOM 1252 N ARG A 81 67.919 -11.861 -11.230 1.00 0.00 N ATOM 1253 CA ARG A 81 68.291 -10.458 -11.580 1.00 0.00 C ATOM 1254 C ARG A 81 69.264 -9.895 -10.541 1.00 0.00 C ATOM 1255 O ARG A 81 69.144 -10.152 -9.360 1.00 0.00 O ATOM 1256 CB ARG A 81 66.975 -9.678 -11.559 1.00 0.00 C ATOM 1257 CG ARG A 81 66.170 -10.066 -10.316 1.00 0.00 C ATOM 1258 CD ARG A 81 64.811 -9.366 -10.348 1.00 0.00 C ATOM 1259 NE ARG A 81 63.861 -10.395 -10.856 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.647 -10.054 -11.192 1.00 0.00 C ATOM 1261 NH1 ARG A 81 62.451 -9.034 -11.982 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.629 -10.734 -10.739 1.00 0.00 N ATOM 0 H ARG A 81 68.413 -12.254 -10.428 1.00 0.00 H new ATOM 0 HA ARG A 81 68.786 -10.393 -12.549 1.00 0.00 H new ATOM 0 HB2 ARG A 81 67.175 -8.607 -11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 81 66.399 -9.892 -12.459 1.00 0.00 H new ATOM 0 HG2 ARG A 81 66.033 -11.147 -10.281 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.715 -9.784 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.523 -9.018 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.832 -8.492 -10.999 1.00 0.00 H new ATOM 0 HE ARG A 81 64.160 -11.367 -10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 81 63.247 -8.503 -12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.502 -8.767 -12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.782 -11.532 -10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.680 -10.467 -11.002 1.00 0.00 H new ATOM 1276 N SER A 82 70.227 -9.125 -10.970 1.00 0.00 N ATOM 1277 CA SER A 82 71.202 -8.545 -10.004 1.00 0.00 C ATOM 1278 C SER A 82 70.571 -7.359 -9.274 1.00 0.00 C ATOM 1279 O SER A 82 69.950 -6.507 -9.879 1.00 0.00 O ATOM 1280 CB SER A 82 72.381 -8.085 -10.860 1.00 0.00 C ATOM 1281 OG SER A 82 71.957 -7.950 -12.210 1.00 0.00 O ATOM 0 H SER A 82 70.380 -8.873 -11.946 1.00 0.00 H new ATOM 0 HA SER A 82 71.510 -9.261 -9.242 1.00 0.00 H new ATOM 0 HB2 SER A 82 72.764 -7.134 -10.490 1.00 0.00 H new ATOM 0 HB3 SER A 82 73.197 -8.805 -10.793 1.00 0.00 H new ATOM 0 HG SER A 82 72.711 -7.653 -12.762 1.00 0.00 H new ATOM 1287 N VAL A 83 70.719 -7.292 -7.979 1.00 0.00 N ATOM 1288 CA VAL A 83 70.120 -6.153 -7.228 1.00 0.00 C ATOM 1289 C VAL A 83 70.811 -4.845 -7.630 1.00 0.00 C ATOM 1290 O VAL A 83 71.901 -4.847 -8.166 1.00 0.00 O ATOM 1291 CB VAL A 83 70.341 -6.488 -5.746 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.383 -5.204 -4.913 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.189 -7.368 -5.254 1.00 0.00 C ATOM 0 H VAL A 83 71.225 -7.972 -7.412 1.00 0.00 H new ATOM 0 HA VAL A 83 69.060 -6.015 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 83 71.289 -7.014 -5.637 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.540 -5.456 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.200 -4.571 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.439 -4.670 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.340 -7.610 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.247 -6.833 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.160 -8.288 -5.837 1.00 0.00 H new ATOM 1303 N SER A 84 70.179 -3.730 -7.388 1.00 0.00 N ATOM 1304 CA SER A 84 70.798 -2.429 -7.770 1.00 0.00 C ATOM 1305 C SER A 84 71.393 -1.733 -6.545 1.00 0.00 C ATOM 1306 O SER A 84 70.752 -1.593 -5.523 1.00 0.00 O ATOM 1307 CB SER A 84 69.652 -1.602 -8.349 1.00 0.00 C ATOM 1308 OG SER A 84 68.640 -2.475 -8.832 1.00 0.00 O ATOM 0 H SER A 84 69.263 -3.663 -6.944 1.00 0.00 H new ATOM 0 HA SER A 84 71.613 -2.559 -8.482 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.243 -0.941 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 84 70.018 -0.968 -9.157 1.00 0.00 H new ATOM 0 HG SER A 84 68.174 -2.051 -9.583 1.00 0.00 H new ATOM 1314 N LEU A 85 72.614 -1.290 -6.647 1.00 0.00 N ATOM 1315 CA LEU A 85 73.258 -0.593 -5.499 1.00 0.00 C ATOM 1316 C LEU A 85 73.078 0.920 -5.648 1.00 0.00 C ATOM 1317 O LEU A 85 73.007 1.437 -6.746 1.00 0.00 O ATOM 1318 CB LEU A 85 74.738 -0.965 -5.591 1.00 0.00 C ATOM 1319 CG LEU A 85 74.974 -2.324 -4.930 1.00 0.00 C ATOM 1320 CD1 LEU A 85 76.477 -2.597 -4.851 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.386 -2.318 -3.518 1.00 0.00 C ATOM 0 H LEU A 85 73.196 -1.381 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 85 72.826 -0.879 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 85 75.049 -0.999 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.345 -0.203 -5.102 1.00 0.00 H new ATOM 0 HG LEU A 85 74.490 -3.102 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 85 76.647 -3.565 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.899 -2.603 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.958 -1.817 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.555 -3.287 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.868 -1.540 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.315 -2.123 -3.571 1.00 0.00 H new ATOM 1333 N TYR A 86 73.002 1.634 -4.561 1.00 0.00 N ATOM 1334 CA TYR A 86 72.823 3.110 -4.663 1.00 0.00 C ATOM 1335 C TYR A 86 73.910 3.845 -3.877 1.00 0.00 C ATOM 1336 O TYR A 86 73.892 3.898 -2.664 1.00 0.00 O ATOM 1337 CB TYR A 86 71.447 3.391 -4.064 1.00 0.00 C ATOM 1338 CG TYR A 86 70.398 3.294 -5.147 1.00 0.00 C ATOM 1339 CD1 TYR A 86 70.013 2.041 -5.638 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.812 4.458 -5.659 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.040 1.952 -6.642 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.841 4.368 -6.663 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.455 3.115 -7.155 1.00 0.00 C ATOM 1344 OH TYR A 86 67.498 3.027 -8.145 1.00 0.00 O ATOM 0 H TYR A 86 73.055 1.264 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 86 72.898 3.455 -5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 86 71.232 2.677 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.430 4.384 -3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.466 1.143 -5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 86 70.109 5.425 -5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.741 0.985 -7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 86 68.389 5.266 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 86 67.194 3.927 -8.387 1.00 0.00 H new ATOM 1354 N TYR A 87 74.851 4.423 -4.571 1.00 0.00 N ATOM 1355 CA TYR A 87 75.945 5.173 -3.893 1.00 0.00 C ATOM 1356 C TYR A 87 75.390 6.358 -3.116 1.00 0.00 C ATOM 1357 O TYR A 87 76.074 6.994 -2.340 1.00 0.00 O ATOM 1358 CB TYR A 87 76.836 5.665 -5.023 1.00 0.00 C ATOM 1359 CG TYR A 87 78.281 5.597 -4.594 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.822 4.386 -4.149 1.00 0.00 C ATOM 1361 CD2 TYR A 87 79.079 6.747 -4.641 1.00 0.00 C ATOM 1362 CE1 TYR A 87 80.162 4.323 -3.751 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.420 6.683 -4.243 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.962 5.472 -3.799 1.00 0.00 C ATOM 1365 OH TYR A 87 82.284 5.409 -3.407 1.00 0.00 O ATOM 0 H TYR A 87 74.909 4.407 -5.589 1.00 0.00 H new ATOM 0 HA TYR A 87 76.480 4.549 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.681 5.055 -5.913 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.573 6.689 -5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 87 78.206 3.500 -4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.661 7.682 -4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.580 3.388 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 87 81.036 7.569 -4.279 1.00 0.00 H new ATOM 0 HH TYR A 87 82.333 5.347 -2.430 1.00 0.00 H new ATOM 1375 N THR A 88 74.158 6.652 -3.338 1.00 0.00 N ATOM 1376 CA THR A 88 73.502 7.799 -2.644 1.00 0.00 C ATOM 1377 C THR A 88 73.412 7.545 -1.136 1.00 0.00 C ATOM 1378 O THR A 88 72.352 7.629 -0.548 1.00 0.00 O ATOM 1379 CB THR A 88 72.103 7.872 -3.253 1.00 0.00 C ATOM 1380 OG1 THR A 88 71.423 9.009 -2.739 1.00 0.00 O ATOM 1381 CG2 THR A 88 71.326 6.604 -2.894 1.00 0.00 C ATOM 0 H THR A 88 73.554 6.143 -3.983 1.00 0.00 H new ATOM 0 HA THR A 88 74.061 8.726 -2.770 1.00 0.00 H new ATOM 0 HB THR A 88 72.180 7.955 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 88 71.436 8.983 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 88 70.327 6.654 -3.328 1.00 0.00 H new ATOM 0 HG22 THR A 88 71.849 5.733 -3.288 1.00 0.00 H new ATOM 0 HG23 THR A 88 71.247 6.520 -1.810 1.00 0.00 H new ATOM 1389 N GLY A 89 74.512 7.249 -0.505 1.00 0.00 N ATOM 1390 CA GLY A 89 74.484 7.006 0.964 1.00 0.00 C ATOM 1391 C GLY A 89 74.451 8.335 1.704 1.00 0.00 C ATOM 1392 O GLY A 89 74.421 8.396 2.916 1.00 0.00 O ATOM 0 H GLY A 89 75.430 7.165 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 89 73.610 6.411 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 89 75.362 6.433 1.264 1.00 0.00 H new ATOM 1396 N GLU A 90 74.459 9.390 0.966 1.00 0.00 N ATOM 1397 CA GLU A 90 74.429 10.750 1.575 1.00 0.00 C ATOM 1398 C GLU A 90 74.323 11.813 0.478 1.00 0.00 C ATOM 1399 O GLU A 90 73.727 12.854 0.666 1.00 0.00 O ATOM 1400 CB GLU A 90 75.755 10.880 2.323 1.00 0.00 C ATOM 1401 CG GLU A 90 75.875 12.289 2.906 1.00 0.00 C ATOM 1402 CD GLU A 90 75.913 12.208 4.434 1.00 0.00 C ATOM 1403 OE1 GLU A 90 76.959 11.872 4.963 1.00 0.00 O ATOM 1404 OE2 GLU A 90 74.895 12.482 5.047 1.00 0.00 O ATOM 0 H GLU A 90 74.485 9.379 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 90 73.575 10.889 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 90 75.809 10.139 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 90 76.587 10.682 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 90 76.779 12.772 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 90 75.032 12.900 2.585 1.00 0.00 H new ATOM 1411 N LYS A 91 74.897 11.559 -0.668 1.00 0.00 N ATOM 1412 CA LYS A 91 74.827 12.558 -1.774 1.00 0.00 C ATOM 1413 C LYS A 91 74.411 11.873 -3.078 1.00 0.00 C ATOM 1414 O LYS A 91 73.476 12.286 -3.737 1.00 0.00 O ATOM 1415 CB LYS A 91 76.243 13.121 -1.891 1.00 0.00 C ATOM 1416 CG LYS A 91 76.214 14.410 -2.714 1.00 0.00 C ATOM 1417 CD LYS A 91 76.174 15.616 -1.773 1.00 0.00 C ATOM 1418 CE LYS A 91 75.230 16.678 -2.344 1.00 0.00 C ATOM 1419 NZ LYS A 91 76.117 17.809 -2.736 1.00 0.00 N ATOM 0 H LYS A 91 75.410 10.705 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 91 74.094 13.340 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 91 76.650 13.319 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 91 76.898 12.390 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 91 77.094 14.465 -3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 91 75.342 14.417 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 91 75.836 15.308 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 91 77.175 16.031 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 91 74.677 16.295 -3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 91 74.494 16.991 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 75.543 18.578 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 76.626 18.157 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 76.803 17.482 -3.447 1.00 0.00 H new ATOM 1433 N GLY A 92 75.098 10.830 -3.457 1.00 0.00 N ATOM 1434 CA GLY A 92 74.742 10.120 -4.717 1.00 0.00 C ATOM 1435 C GLY A 92 74.486 11.142 -5.827 1.00 0.00 C ATOM 1436 O GLY A 92 74.914 12.277 -5.750 1.00 0.00 O ATOM 0 H GLY A 92 75.891 10.439 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 92 75.549 9.447 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 92 73.855 9.506 -4.562 1.00 0.00 H new ATOM 1440 N GLY A 93 73.791 10.750 -6.859 1.00 0.00 N ATOM 1441 CA GLY A 93 73.509 11.700 -7.973 1.00 0.00 C ATOM 1442 C GLY A 93 72.116 12.305 -7.789 1.00 0.00 C ATOM 1443 O GLY A 93 71.767 13.286 -8.416 1.00 0.00 O ATOM 0 H GLY A 93 73.406 9.813 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 93 74.260 12.489 -7.991 1.00 0.00 H new ATOM 0 HA3 GLY A 93 73.568 11.182 -8.930 1.00 0.00 H new ATOM 1447 N THR A 94 71.315 11.729 -6.934 1.00 0.00 N ATOM 1448 CA THR A 94 69.946 12.273 -6.713 1.00 0.00 C ATOM 1449 C THR A 94 69.783 12.722 -5.258 1.00 0.00 C ATOM 1450 O THR A 94 70.717 12.689 -4.482 1.00 0.00 O ATOM 1451 CB THR A 94 69.002 11.109 -7.023 1.00 0.00 C ATOM 1452 OG1 THR A 94 69.680 10.155 -7.827 1.00 0.00 O ATOM 1453 CG2 THR A 94 67.775 11.632 -7.772 1.00 0.00 C ATOM 0 H THR A 94 71.550 10.906 -6.380 1.00 0.00 H new ATOM 0 HA THR A 94 69.742 13.142 -7.338 1.00 0.00 H new ATOM 0 HB THR A 94 68.683 10.639 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 94 69.078 9.408 -8.026 1.00 0.00 H new ATOM 0 HG21 THR A 94 67.103 10.803 -7.993 1.00 0.00 H new ATOM 0 HG22 THR A 94 67.256 12.365 -7.154 1.00 0.00 H new ATOM 0 HG23 THR A 94 68.090 12.101 -8.704 1.00 0.00 H new ATOM 1461 N ARG A 95 68.601 13.134 -4.884 1.00 0.00 N ATOM 1462 CA ARG A 95 68.365 13.579 -3.486 1.00 0.00 C ATOM 1463 C ARG A 95 66.953 14.154 -3.348 1.00 0.00 C ATOM 1464 O ARG A 95 66.301 14.465 -4.323 1.00 0.00 O ATOM 1465 CB ARG A 95 69.412 14.662 -3.214 1.00 0.00 C ATOM 1466 CG ARG A 95 69.435 15.659 -4.375 1.00 0.00 C ATOM 1467 CD ARG A 95 68.882 17.006 -3.902 1.00 0.00 C ATOM 1468 NE ARG A 95 70.032 17.948 -3.997 1.00 0.00 N ATOM 1469 CZ ARG A 95 70.538 18.472 -2.913 1.00 0.00 C ATOM 1470 NH1 ARG A 95 69.753 19.015 -2.023 1.00 0.00 N ATOM 1471 NH2 ARG A 95 71.828 18.451 -2.720 1.00 0.00 N ATOM 0 H ARG A 95 67.785 13.180 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 95 68.449 12.755 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 95 69.181 15.179 -2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 95 70.396 14.208 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 95 70.454 15.781 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 95 68.839 15.280 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 95 68.051 17.333 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 95 68.507 16.942 -2.881 1.00 0.00 H new ATOM 0 HE ARG A 95 70.424 18.184 -4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 95 68.744 19.030 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 95 70.148 19.424 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 95 72.441 18.026 -3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 95 72.224 18.860 -1.874 1.00 0.00 H new ATOM 1485 N GLY A 96 66.476 14.296 -2.141 1.00 0.00 N ATOM 1486 CA GLY A 96 65.106 14.850 -1.942 1.00 0.00 C ATOM 1487 C GLY A 96 64.712 14.721 -0.470 1.00 0.00 C ATOM 1488 O GLY A 96 65.564 14.947 0.374 1.00 0.00 O ATOM 1489 OXT GLY A 96 63.564 14.398 -0.211 1.00 0.00 O ATOM 0 H GLY A 96 66.975 14.053 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 96 65.078 15.896 -2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 96 64.392 14.316 -2.569 1.00 0.00 H new TER 1493 GLY A 96