USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 617 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 45 ASN : amide:sc= -2.25! C(o=-3!,f=-2.9!) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.71 K(o=-3,f=-4.3) USER MOD Set 2.1: A 21 MET CE :methyl -173:sc= -4.73 (180deg=-4.37!) USER MOD Set 2.2: A 47 MET CE :methyl 139:sc= -3.36 (180deg=-7.42!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0738 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.87! C(o=-1.9!,f=-4.1!) USER MOD Single : A 22 SER OG : rot -87:sc= 0.0327 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.996 K(o=-1,f=-4.9!) USER MOD Single : A 29 THR OG1 : rot -5:sc= 0.158 USER MOD Single : A 31 MET CE :methyl -136:sc= -3.72! (180deg=-8.55!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -2.87 K(o=-2.9,f=-7.6!) USER MOD Single : A 53 MET CE :methyl 146:sc= -1.83! (180deg=-3.47!) USER MOD Single : A 54 SER OG : rot -37:sc= 0.924 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.149 (180deg=-0.612) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 28:sc= 0.747 USER MOD Single : A 73 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.35) USER MOD Single : A 74 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.59) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 13:sc= 1.05 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.182 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.297 -17.092 -27.226 1.00 0.00 N ATOM 2 CA GLY A 1 21.340 -17.478 -25.827 1.00 0.00 C ATOM 3 C GLY A 1 21.903 -16.384 -24.942 1.00 0.00 C ATOM 4 O GLY A 1 22.058 -15.242 -25.376 1.00 0.00 O ATOM 0 H1 GLY A 1 20.332 -17.221 -27.592 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.572 -16.093 -27.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.956 -17.685 -27.770 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.334 -17.731 -25.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.947 -18.377 -25.720 1.00 0.00 H new ATOM 8 N SER A 2 22.210 -16.732 -23.696 1.00 0.00 N ATOM 9 CA SER A 2 22.754 -15.770 -22.745 1.00 0.00 C ATOM 10 C SER A 2 23.780 -16.431 -21.830 1.00 0.00 C ATOM 11 O SER A 2 23.547 -17.519 -21.302 1.00 0.00 O ATOM 12 CB SER A 2 21.630 -15.155 -21.909 1.00 0.00 C ATOM 13 OG SER A 2 21.004 -16.134 -21.097 1.00 0.00 O ATOM 0 H SER A 2 22.091 -17.673 -23.322 1.00 0.00 H new ATOM 0 HA SER A 2 23.251 -14.981 -23.309 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.033 -14.360 -21.281 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.891 -14.698 -22.567 1.00 0.00 H new ATOM 0 HG SER A 2 20.291 -15.716 -20.571 1.00 0.00 H new ATOM 19 N SER A 3 24.916 -15.767 -21.647 1.00 0.00 N ATOM 20 CA SER A 3 25.981 -16.291 -20.799 1.00 0.00 C ATOM 21 C SER A 3 25.916 -15.676 -19.404 1.00 0.00 C ATOM 22 O SER A 3 25.104 -14.791 -19.141 1.00 0.00 O ATOM 23 CB SER A 3 27.347 -16.012 -21.429 1.00 0.00 C ATOM 24 OG SER A 3 27.420 -16.540 -22.742 1.00 0.00 O ATOM 0 H SER A 3 25.123 -14.864 -22.075 1.00 0.00 H new ATOM 0 HA SER A 3 25.844 -17.369 -20.709 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.526 -14.937 -21.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.132 -16.451 -20.813 1.00 0.00 H new ATOM 0 HG SER A 3 28.302 -16.347 -23.124 1.00 0.00 H new ATOM 30 N GLY A 4 26.780 -16.153 -18.514 1.00 0.00 N ATOM 31 CA GLY A 4 26.806 -15.640 -17.156 1.00 0.00 C ATOM 32 C GLY A 4 28.167 -15.791 -16.505 1.00 0.00 C ATOM 33 O GLY A 4 28.973 -16.622 -16.922 1.00 0.00 O ATOM 0 H GLY A 4 27.463 -16.885 -18.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.525 -14.587 -17.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.061 -16.165 -16.558 1.00 0.00 H new ATOM 37 N SER A 5 28.423 -14.983 -15.481 1.00 0.00 N ATOM 38 CA SER A 5 29.698 -15.027 -14.774 1.00 0.00 C ATOM 39 C SER A 5 29.538 -14.547 -13.335 1.00 0.00 C ATOM 40 O SER A 5 28.577 -13.854 -13.003 1.00 0.00 O ATOM 41 CB SER A 5 30.736 -14.167 -15.498 1.00 0.00 C ATOM 42 OG SER A 5 30.452 -12.787 -15.344 1.00 0.00 O ATOM 0 H SER A 5 27.765 -14.291 -15.123 1.00 0.00 H new ATOM 0 HA SER A 5 30.041 -16.062 -14.757 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.730 -14.383 -15.105 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.750 -14.423 -16.558 1.00 0.00 H new ATOM 0 HG SER A 5 31.131 -12.259 -15.814 1.00 0.00 H new ATOM 48 N SER A 6 30.488 -14.922 -12.484 1.00 0.00 N ATOM 49 CA SER A 6 30.451 -14.534 -11.079 1.00 0.00 C ATOM 50 C SER A 6 31.844 -14.154 -10.584 1.00 0.00 C ATOM 51 O SER A 6 32.829 -14.284 -11.308 1.00 0.00 O ATOM 52 CB SER A 6 29.889 -15.674 -10.227 1.00 0.00 C ATOM 53 OG SER A 6 28.581 -16.026 -10.646 1.00 0.00 O ATOM 0 H SER A 6 31.292 -15.494 -12.743 1.00 0.00 H new ATOM 0 HA SER A 6 29.800 -13.665 -10.985 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.543 -16.543 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.870 -15.374 -9.179 1.00 0.00 H new ATOM 0 HG SER A 6 28.244 -16.758 -10.087 1.00 0.00 H new ATOM 59 N GLY A 7 31.916 -13.683 -9.342 1.00 0.00 N ATOM 60 CA GLY A 7 33.191 -13.291 -8.770 1.00 0.00 C ATOM 61 C GLY A 7 33.031 -12.457 -7.515 1.00 0.00 C ATOM 62 O GLY A 7 31.914 -12.222 -7.055 1.00 0.00 O ATOM 0 H GLY A 7 31.114 -13.566 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 7 33.771 -14.184 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 7 33.759 -12.725 -9.509 1.00 0.00 H new ATOM 66 N GLY A 8 34.151 -12.010 -6.957 1.00 0.00 N ATOM 67 CA GLY A 8 34.109 -11.204 -5.750 1.00 0.00 C ATOM 68 C GLY A 8 33.865 -9.736 -6.042 1.00 0.00 C ATOM 69 O GLY A 8 34.135 -9.263 -7.145 1.00 0.00 O ATOM 0 H GLY A 8 35.087 -12.191 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 8 33.322 -11.577 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 8 35.050 -11.313 -5.211 1.00 0.00 H new ATOM 73 N MET A 9 33.352 -9.015 -5.050 1.00 0.00 N ATOM 74 CA MET A 9 33.071 -7.593 -5.206 1.00 0.00 C ATOM 75 C MET A 9 32.844 -6.931 -3.851 1.00 0.00 C ATOM 76 O MET A 9 32.577 -7.606 -2.856 1.00 0.00 O ATOM 77 CB MET A 9 31.845 -7.388 -6.099 1.00 0.00 C ATOM 78 CG MET A 9 30.575 -8.005 -5.537 1.00 0.00 C ATOM 79 SD MET A 9 29.083 -7.194 -6.142 1.00 0.00 S ATOM 80 CE MET A 9 28.013 -8.606 -6.406 1.00 0.00 C ATOM 0 H MET A 9 33.123 -9.392 -4.130 1.00 0.00 H new ATOM 0 HA MET A 9 33.937 -7.127 -5.677 1.00 0.00 H new ATOM 0 HB2 MET A 9 31.686 -6.320 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 9 32.045 -7.818 -7.081 1.00 0.00 H new ATOM 0 HG2 MET A 9 30.542 -9.062 -5.801 1.00 0.00 H new ATOM 0 HG3 MET A 9 30.599 -7.948 -4.449 1.00 0.00 H new ATOM 0 HE1 MET A 9 27.048 -8.266 -6.782 1.00 0.00 H new ATOM 0 HE2 MET A 9 28.469 -9.277 -7.133 1.00 0.00 H new ATOM 0 HE3 MET A 9 27.870 -9.135 -5.464 1.00 0.00 H new ATOM 90 N LYS A 10 32.952 -5.607 -3.818 1.00 0.00 N ATOM 91 CA LYS A 10 32.757 -4.854 -2.585 1.00 0.00 C ATOM 92 C LYS A 10 32.151 -3.484 -2.874 1.00 0.00 C ATOM 93 O LYS A 10 31.980 -3.101 -4.032 1.00 0.00 O ATOM 94 CB LYS A 10 34.089 -4.689 -1.848 1.00 0.00 C ATOM 95 CG LYS A 10 34.497 -5.915 -1.049 1.00 0.00 C ATOM 96 CD LYS A 10 36.002 -5.973 -0.847 1.00 0.00 C ATOM 97 CE LYS A 10 36.713 -6.471 -2.096 1.00 0.00 C ATOM 98 NZ LYS A 10 38.144 -6.785 -1.831 1.00 0.00 N ATOM 0 H LYS A 10 33.174 -5.033 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 10 32.066 -5.412 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 10 34.870 -4.462 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 10 34.019 -3.834 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 10 33.999 -5.901 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.163 -6.815 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 10 36.374 -4.982 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 10 36.233 -6.631 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 10 36.209 -7.362 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 10 36.646 -5.715 -2.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 38.594 -7.121 -2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 38.631 -5.929 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 38.208 -7.525 -1.103 1.00 0.00 H new ATOM 112 N THR A 11 31.830 -2.749 -1.814 1.00 0.00 N ATOM 113 CA THR A 11 31.244 -1.422 -1.954 1.00 0.00 C ATOM 114 C THR A 11 32.058 -0.378 -1.198 1.00 0.00 C ATOM 115 O THR A 11 32.558 -0.641 -0.104 1.00 0.00 O ATOM 116 CB THR A 11 29.791 -1.392 -1.444 1.00 0.00 C ATOM 117 OG1 THR A 11 29.230 -0.089 -1.638 1.00 0.00 O ATOM 118 CG2 THR A 11 29.728 -1.763 0.030 1.00 0.00 C ATOM 0 H THR A 11 31.966 -3.050 -0.849 1.00 0.00 H new ATOM 0 HA THR A 11 31.252 -1.184 -3.018 1.00 0.00 H new ATOM 0 HB THR A 11 29.215 -2.123 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 11 28.306 -0.079 -1.313 1.00 0.00 H new ATOM 0 HG21 THR A 11 28.692 -1.735 0.368 1.00 0.00 H new ATOM 0 HG22 THR A 11 30.129 -2.767 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 11 30.318 -1.053 0.609 1.00 0.00 H new ATOM 126 N SER A 12 32.186 0.807 -1.786 1.00 0.00 N ATOM 127 CA SER A 12 32.942 1.889 -1.168 1.00 0.00 C ATOM 128 C SER A 12 32.006 2.963 -0.621 1.00 0.00 C ATOM 129 O SER A 12 32.261 4.158 -0.767 1.00 0.00 O ATOM 130 CB SER A 12 33.909 2.507 -2.180 1.00 0.00 C ATOM 131 OG SER A 12 35.128 1.785 -2.227 1.00 0.00 O ATOM 0 H SER A 12 31.776 1.042 -2.690 1.00 0.00 H new ATOM 0 HA SER A 12 33.513 1.472 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 12 33.449 2.516 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 12 34.107 3.545 -1.912 1.00 0.00 H new ATOM 0 HG SER A 12 35.728 2.199 -2.882 1.00 0.00 H new ATOM 137 N GLY A 13 30.919 2.527 0.009 1.00 0.00 N ATOM 138 CA GLY A 13 29.960 3.462 0.567 1.00 0.00 C ATOM 139 C GLY A 13 29.013 4.015 -0.478 1.00 0.00 C ATOM 140 O GLY A 13 29.445 4.526 -1.512 1.00 0.00 O ATOM 0 H GLY A 13 30.686 1.543 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 13 29.384 2.964 1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 13 30.494 4.286 1.041 1.00 0.00 H new ATOM 144 N LYS A 14 27.715 3.912 -0.212 1.00 0.00 N ATOM 145 CA LYS A 14 26.702 4.405 -1.138 1.00 0.00 C ATOM 146 C LYS A 14 25.520 5.004 -0.382 1.00 0.00 C ATOM 147 O LYS A 14 25.494 5.003 0.848 1.00 0.00 O ATOM 148 CB LYS A 14 26.219 3.274 -2.048 1.00 0.00 C ATOM 149 CG LYS A 14 27.111 3.041 -3.255 1.00 0.00 C ATOM 150 CD LYS A 14 26.566 1.938 -4.146 1.00 0.00 C ATOM 151 CE LYS A 14 27.474 1.688 -5.341 1.00 0.00 C ATOM 152 NZ LYS A 14 27.190 2.630 -6.459 1.00 0.00 N ATOM 0 H LYS A 14 27.340 3.491 0.638 1.00 0.00 H new ATOM 0 HA LYS A 14 27.154 5.186 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 14 26.159 2.353 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 25.210 3.501 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.197 3.964 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.115 2.778 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 14 26.462 1.020 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 14 25.570 2.209 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 14 28.515 1.791 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 14 27.344 0.663 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 27.829 2.428 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 26.204 2.514 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 27.338 3.607 -6.136 1.00 0.00 H new ATOM 166 N GLN A 15 24.543 5.512 -1.127 1.00 0.00 N ATOM 167 CA GLN A 15 23.359 6.113 -0.526 1.00 0.00 C ATOM 168 C GLN A 15 22.744 5.182 0.514 1.00 0.00 C ATOM 169 O GLN A 15 23.234 4.074 0.736 1.00 0.00 O ATOM 170 CB GLN A 15 22.326 6.445 -1.604 1.00 0.00 C ATOM 171 CG GLN A 15 22.767 7.552 -2.548 1.00 0.00 C ATOM 172 CD GLN A 15 23.859 7.107 -3.500 1.00 0.00 C ATOM 173 OE1 GLN A 15 25.042 7.132 -3.162 1.00 0.00 O ATOM 174 NE2 GLN A 15 23.467 6.696 -4.701 1.00 0.00 N ATOM 0 H GLN A 15 24.549 5.519 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 15 23.663 7.034 -0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 15 22.116 5.546 -2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.393 6.739 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.908 7.898 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.123 8.401 -1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.475 6.691 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 15 24.158 6.385 -5.384 1.00 0.00 H new ATOM 183 N ASP A 16 21.669 5.638 1.148 1.00 0.00 N ATOM 184 CA ASP A 16 20.986 4.845 2.164 1.00 0.00 C ATOM 185 C ASP A 16 19.870 4.010 1.543 1.00 0.00 C ATOM 186 O ASP A 16 19.485 4.229 0.395 1.00 0.00 O ATOM 187 CB ASP A 16 20.415 5.755 3.252 1.00 0.00 C ATOM 188 CG ASP A 16 21.496 6.502 4.008 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.383 5.839 4.586 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.455 7.750 4.022 1.00 0.00 O ATOM 0 H ASP A 16 21.252 6.553 0.976 1.00 0.00 H new ATOM 0 HA ASP A 16 21.714 4.169 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.730 6.472 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.832 5.157 3.953 1.00 0.00 H new ATOM 195 N GLU A 17 19.357 3.053 2.309 1.00 0.00 N ATOM 196 CA GLU A 17 18.287 2.185 1.833 1.00 0.00 C ATOM 197 C GLU A 17 16.922 2.730 2.242 1.00 0.00 C ATOM 198 O GLU A 17 15.912 2.453 1.595 1.00 0.00 O ATOM 199 CB GLU A 17 18.468 0.768 2.381 1.00 0.00 C ATOM 200 CG GLU A 17 19.435 -0.079 1.571 1.00 0.00 C ATOM 201 CD GLU A 17 20.152 -1.115 2.415 1.00 0.00 C ATOM 202 OE1 GLU A 17 20.471 -0.809 3.584 1.00 0.00 O ATOM 203 OE2 GLU A 17 20.394 -2.230 1.909 1.00 0.00 O ATOM 0 H GLU A 17 19.665 2.859 3.262 1.00 0.00 H new ATOM 0 HA GLU A 17 18.335 2.155 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.824 0.828 3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.498 0.271 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 17 18.890 -0.581 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 17 20.171 0.570 1.097 1.00 0.00 H new ATOM 210 N ALA A 18 16.900 3.506 3.321 1.00 0.00 N ATOM 211 CA ALA A 18 15.660 4.091 3.816 1.00 0.00 C ATOM 212 C ALA A 18 14.996 4.955 2.749 1.00 0.00 C ATOM 213 O ALA A 18 13.832 4.749 2.406 1.00 0.00 O ATOM 214 CB ALA A 18 15.927 4.910 5.070 1.00 0.00 C ATOM 0 H ALA A 18 17.727 3.744 3.869 1.00 0.00 H new ATOM 0 HA ALA A 18 14.977 3.278 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.992 5.341 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.350 4.267 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.630 5.710 4.839 1.00 0.00 H new ATOM 220 N TRP A 19 15.743 5.922 2.229 1.00 0.00 N ATOM 221 CA TRP A 19 15.226 6.818 1.201 1.00 0.00 C ATOM 222 C TRP A 19 14.574 6.030 0.070 1.00 0.00 C ATOM 223 O TRP A 19 13.565 6.456 -0.493 1.00 0.00 O ATOM 224 CB TRP A 19 16.350 7.695 0.647 1.00 0.00 C ATOM 225 CG TRP A 19 17.181 7.007 -0.393 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.457 6.542 -0.247 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.795 6.710 -1.740 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.887 5.973 -1.421 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.886 6.062 -2.352 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.634 6.925 -2.487 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.848 5.631 -3.675 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.598 6.497 -3.800 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.698 5.855 -4.383 1.00 0.00 C ATOM 0 H TRP A 19 16.708 6.106 2.502 1.00 0.00 H new ATOM 0 HA TRP A 19 14.469 7.456 1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.918 8.599 0.217 1.00 0.00 H new ATOM 0 HB3 TRP A 19 16.995 8.009 1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 19 19.042 6.611 0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.803 5.552 -1.575 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.780 7.417 -2.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.696 5.137 -4.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.706 6.660 -4.387 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.638 5.530 -5.411 1.00 0.00 H new ATOM 244 N ILE A 20 15.156 4.882 -0.257 1.00 0.00 N ATOM 245 CA ILE A 20 14.629 4.035 -1.320 1.00 0.00 C ATOM 246 C ILE A 20 13.205 3.586 -1.011 1.00 0.00 C ATOM 247 O ILE A 20 12.329 3.631 -1.873 1.00 0.00 O ATOM 248 CB ILE A 20 15.512 2.791 -1.538 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.909 3.206 -2.005 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.866 1.854 -2.548 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.903 2.066 -2.023 1.00 0.00 C ATOM 0 H ILE A 20 15.992 4.517 0.198 1.00 0.00 H new ATOM 0 HA ILE A 20 14.628 4.635 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 20 15.609 2.261 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.837 3.631 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.283 3.993 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.501 0.980 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.891 1.537 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.743 2.373 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.871 2.433 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 20 18.004 1.655 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.551 1.287 -2.700 1.00 0.00 H new ATOM 263 N MET A 21 12.982 3.154 0.226 1.00 0.00 N ATOM 264 CA MET A 21 11.663 2.699 0.650 1.00 0.00 C ATOM 265 C MET A 21 10.567 3.573 0.047 1.00 0.00 C ATOM 266 O MET A 21 9.542 3.070 -0.412 1.00 0.00 O ATOM 267 CB MET A 21 11.561 2.714 2.177 1.00 0.00 C ATOM 268 CG MET A 21 10.146 2.515 2.693 1.00 0.00 C ATOM 269 SD MET A 21 9.326 1.094 1.945 1.00 0.00 S ATOM 270 CE MET A 21 9.096 0.043 3.378 1.00 0.00 C ATOM 0 H MET A 21 13.697 3.109 0.952 1.00 0.00 H new ATOM 0 HA MET A 21 11.526 1.678 0.294 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.201 1.931 2.583 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.945 3.664 2.549 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.173 2.386 3.775 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.561 3.413 2.494 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.714 -0.927 3.060 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.050 -0.092 3.887 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.384 0.508 4.060 1.00 0.00 H new ATOM 280 N SER A 22 10.791 4.883 0.053 1.00 0.00 N ATOM 281 CA SER A 22 9.821 5.826 -0.489 1.00 0.00 C ATOM 282 C SER A 22 9.462 5.469 -1.929 1.00 0.00 C ATOM 283 O SER A 22 8.286 5.352 -2.276 1.00 0.00 O ATOM 284 CB SER A 22 10.374 7.251 -0.429 1.00 0.00 C ATOM 285 OG SER A 22 11.087 7.572 -1.610 1.00 0.00 O ATOM 0 H SER A 22 11.636 5.315 0.427 1.00 0.00 H new ATOM 0 HA SER A 22 8.918 5.768 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.555 7.957 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.031 7.353 0.435 1.00 0.00 H new ATOM 0 HG SER A 22 12.021 7.292 -1.514 1.00 0.00 H new ATOM 291 N ARG A 23 10.483 5.297 -2.761 1.00 0.00 N ATOM 292 CA ARG A 23 10.276 4.954 -4.163 1.00 0.00 C ATOM 293 C ARG A 23 9.085 4.014 -4.323 1.00 0.00 C ATOM 294 O ARG A 23 8.132 4.318 -5.042 1.00 0.00 O ATOM 295 CB ARG A 23 11.534 4.305 -4.742 1.00 0.00 C ATOM 296 CG ARG A 23 12.695 5.271 -4.914 1.00 0.00 C ATOM 297 CD ARG A 23 13.697 4.762 -5.938 1.00 0.00 C ATOM 298 NE ARG A 23 13.378 5.218 -7.289 1.00 0.00 N ATOM 299 CZ ARG A 23 13.996 4.776 -8.379 1.00 0.00 C ATOM 300 NH1 ARG A 23 14.960 3.871 -8.277 1.00 0.00 N ATOM 301 NH2 ARG A 23 13.650 5.239 -9.573 1.00 0.00 N ATOM 0 H ARG A 23 11.462 5.389 -2.489 1.00 0.00 H new ATOM 0 HA ARG A 23 10.066 5.874 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.845 3.489 -4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.293 3.865 -5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.317 6.244 -5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.194 5.416 -3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.697 5.102 -5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.714 3.672 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 23 12.641 5.914 -7.401 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.228 3.513 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.433 3.533 -9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.909 5.935 -9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.125 4.899 -10.409 1.00 0.00 H new ATOM 315 N LEU A 24 9.147 2.870 -3.650 1.00 0.00 N ATOM 316 CA LEU A 24 8.074 1.884 -3.717 1.00 0.00 C ATOM 317 C LEU A 24 6.746 2.493 -3.278 1.00 0.00 C ATOM 318 O LEU A 24 5.703 2.228 -3.875 1.00 0.00 O ATOM 319 CB LEU A 24 8.409 0.677 -2.840 1.00 0.00 C ATOM 320 CG LEU A 24 9.820 0.109 -2.990 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.078 -0.965 -1.944 1.00 0.00 C ATOM 322 CD2 LEU A 24 10.024 -0.450 -4.391 1.00 0.00 C ATOM 0 H LEU A 24 9.929 2.602 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 24 7.978 1.558 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.261 0.959 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.694 -0.116 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 24 10.534 0.918 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.087 -1.357 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.975 -0.535 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.357 -1.773 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.034 -0.850 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.301 -1.245 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.883 0.344 -5.124 1.00 0.00 H new ATOM 334 N ILE A 25 6.794 3.313 -2.233 1.00 0.00 N ATOM 335 CA ILE A 25 5.595 3.962 -1.717 1.00 0.00 C ATOM 336 C ILE A 25 4.892 4.765 -2.807 1.00 0.00 C ATOM 337 O ILE A 25 3.706 4.568 -3.071 1.00 0.00 O ATOM 338 CB ILE A 25 5.925 4.897 -0.538 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.683 4.133 0.550 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.650 5.507 0.026 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.804 3.213 1.366 1.00 0.00 C ATOM 0 H ILE A 25 7.650 3.543 -1.728 1.00 0.00 H new ATOM 0 HA ILE A 25 4.932 3.170 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 25 6.562 5.704 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.476 3.547 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.164 4.848 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.899 6.165 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.146 6.080 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.991 4.713 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.408 2.705 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.026 3.796 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.343 2.474 0.710 1.00 0.00 H new ATOM 353 N LYS A 26 5.633 5.669 -3.438 1.00 0.00 N ATOM 354 CA LYS A 26 5.083 6.501 -4.502 1.00 0.00 C ATOM 355 C LYS A 26 4.081 5.717 -5.343 1.00 0.00 C ATOM 356 O LYS A 26 2.904 6.069 -5.410 1.00 0.00 O ATOM 357 CB LYS A 26 6.207 7.033 -5.394 1.00 0.00 C ATOM 358 CG LYS A 26 5.755 8.110 -6.365 1.00 0.00 C ATOM 359 CD LYS A 26 5.259 7.511 -7.671 1.00 0.00 C ATOM 360 CE LYS A 26 6.415 7.080 -8.561 1.00 0.00 C ATOM 361 NZ LYS A 26 6.049 7.125 -10.004 1.00 0.00 N ATOM 0 H LYS A 26 6.616 5.844 -3.231 1.00 0.00 H new ATOM 0 HA LYS A 26 4.565 7.341 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.001 7.434 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.635 6.204 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.960 8.701 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.583 8.790 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.621 6.653 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.646 8.242 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.272 7.729 -8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.721 6.068 -8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.863 6.824 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.247 6.486 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.782 8.096 -10.264 1.00 0.00 H new ATOM 375 N GLN A 27 4.556 4.652 -5.982 1.00 0.00 N ATOM 376 CA GLN A 27 3.700 3.818 -6.817 1.00 0.00 C ATOM 377 C GLN A 27 2.349 3.585 -6.150 1.00 0.00 C ATOM 378 O GLN A 27 1.300 3.850 -6.739 1.00 0.00 O ATOM 379 CB GLN A 27 4.380 2.478 -7.102 1.00 0.00 C ATOM 380 CG GLN A 27 5.558 2.584 -8.057 1.00 0.00 C ATOM 381 CD GLN A 27 5.128 2.839 -9.488 1.00 0.00 C ATOM 382 OE1 GLN A 27 4.310 3.720 -9.755 1.00 0.00 O ATOM 383 NE2 GLN A 27 5.679 2.069 -10.419 1.00 0.00 N ATOM 0 H GLN A 27 5.528 4.347 -5.937 1.00 0.00 H new ATOM 0 HA GLN A 27 3.534 4.340 -7.759 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.723 2.047 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.646 1.789 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.215 3.390 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.139 1.663 -8.015 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.353 1.351 -10.154 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.429 2.196 -11.400 1.00 0.00 H new ATOM 392 N LEU A 28 2.381 3.088 -4.919 1.00 0.00 N ATOM 393 CA LEU A 28 1.158 2.818 -4.171 1.00 0.00 C ATOM 394 C LEU A 28 0.355 4.098 -3.960 1.00 0.00 C ATOM 395 O LEU A 28 -0.824 4.170 -4.310 1.00 0.00 O ATOM 396 CB LEU A 28 1.492 2.184 -2.819 1.00 0.00 C ATOM 397 CG LEU A 28 1.567 0.657 -2.794 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.625 0.158 -3.766 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.857 0.160 -1.385 1.00 0.00 C ATOM 0 H LEU A 28 3.240 2.864 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 28 0.553 2.122 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.449 2.580 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.742 2.503 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 28 0.601 0.260 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.664 -0.931 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.374 0.483 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.597 0.564 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.907 -0.929 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.809 0.566 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.063 0.486 -0.714 1.00 0.00 H new ATOM 411 N THR A 29 1.001 5.108 -3.387 1.00 0.00 N ATOM 412 CA THR A 29 0.348 6.386 -3.130 1.00 0.00 C ATOM 413 C THR A 29 -0.322 6.923 -4.389 1.00 0.00 C ATOM 414 O THR A 29 -1.307 7.658 -4.314 1.00 0.00 O ATOM 415 CB THR A 29 1.350 7.433 -2.608 1.00 0.00 C ATOM 416 OG1 THR A 29 2.376 7.657 -3.581 1.00 0.00 O ATOM 417 CG2 THR A 29 1.976 6.978 -1.298 1.00 0.00 C ATOM 0 H THR A 29 1.976 5.066 -3.092 1.00 0.00 H new ATOM 0 HA THR A 29 -0.410 6.207 -2.367 1.00 0.00 H new ATOM 0 HB THR A 29 0.810 8.363 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.256 7.038 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.680 7.734 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.195 6.837 -0.551 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.502 6.036 -1.454 1.00 0.00 H new ATOM 425 N ASP A 30 0.218 6.552 -5.545 1.00 0.00 N ATOM 426 CA ASP A 30 -0.330 6.996 -6.822 1.00 0.00 C ATOM 427 C ASP A 30 -1.573 6.192 -7.189 1.00 0.00 C ATOM 428 O ASP A 30 -2.438 6.668 -7.924 1.00 0.00 O ATOM 429 CB ASP A 30 0.721 6.865 -7.925 1.00 0.00 C ATOM 430 CG ASP A 30 1.651 8.061 -7.984 1.00 0.00 C ATOM 431 OD1 ASP A 30 2.551 8.156 -7.124 1.00 0.00 O ATOM 432 OD2 ASP A 30 1.478 8.902 -8.891 1.00 0.00 O ATOM 0 H ASP A 30 1.034 5.945 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.613 8.044 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.307 5.961 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.221 6.749 -8.887 1.00 0.00 H new ATOM 437 N MET A 31 -1.655 4.970 -6.672 1.00 0.00 N ATOM 438 CA MET A 31 -2.793 4.100 -6.946 1.00 0.00 C ATOM 439 C MET A 31 -4.023 4.552 -6.166 1.00 0.00 C ATOM 440 O MET A 31 -5.056 4.879 -6.750 1.00 0.00 O ATOM 441 CB MET A 31 -2.453 2.652 -6.590 1.00 0.00 C ATOM 442 CG MET A 31 -1.828 1.875 -7.737 1.00 0.00 C ATOM 443 SD MET A 31 -1.482 0.158 -7.306 1.00 0.00 S ATOM 444 CE MET A 31 -0.025 0.353 -6.283 1.00 0.00 C ATOM 0 H MET A 31 -0.948 4.560 -6.062 1.00 0.00 H new ATOM 0 HA MET A 31 -3.017 4.162 -8.011 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.768 2.646 -5.742 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.362 2.142 -6.269 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.498 1.902 -8.596 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.902 2.363 -8.039 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.714 -0.401 -6.555 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.397 1.346 -6.436 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.298 0.232 -5.235 1.00 0.00 H new ATOM 454 N GLY A 32 -3.906 4.568 -4.841 1.00 0.00 N ATOM 455 CA GLY A 32 -5.016 4.981 -4.003 1.00 0.00 C ATOM 456 C GLY A 32 -4.888 4.473 -2.580 1.00 0.00 C ATOM 457 O GLY A 32 -5.877 4.070 -1.966 1.00 0.00 O ATOM 0 H GLY A 32 -3.062 4.302 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.075 6.069 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.948 4.615 -4.434 1.00 0.00 H new ATOM 461 N PHE A 33 -3.668 4.491 -2.054 1.00 0.00 N ATOM 462 CA PHE A 33 -3.414 4.026 -0.696 1.00 0.00 C ATOM 463 C PHE A 33 -2.445 4.958 0.025 1.00 0.00 C ATOM 464 O PHE A 33 -1.508 5.498 -0.564 1.00 0.00 O ATOM 465 CB PHE A 33 -2.851 2.604 -0.717 1.00 0.00 C ATOM 466 CG PHE A 33 -3.537 1.703 -1.705 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.868 1.357 -1.539 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.850 1.202 -2.799 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.501 0.528 -2.445 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.477 0.372 -3.709 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.805 0.035 -3.532 1.00 0.00 C ATOM 0 H PHE A 33 -2.840 4.823 -2.548 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.361 4.026 -0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.788 2.646 -0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.940 2.172 0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.417 1.740 -0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.812 1.463 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.539 0.266 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.930 -0.012 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.298 -0.613 -4.242 1.00 0.00 H new ATOM 481 N PRO A 34 -2.674 5.153 1.333 1.00 0.00 N ATOM 482 CA PRO A 34 -1.832 6.019 2.163 1.00 0.00 C ATOM 483 C PRO A 34 -0.444 5.431 2.394 1.00 0.00 C ATOM 484 O PRO A 34 -0.236 4.227 2.239 1.00 0.00 O ATOM 485 CB PRO A 34 -2.603 6.103 3.483 1.00 0.00 C ATOM 486 CG PRO A 34 -3.415 4.855 3.527 1.00 0.00 C ATOM 487 CD PRO A 34 -3.771 4.541 2.100 1.00 0.00 C ATOM 0 HA PRO A 34 -1.656 6.987 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.925 6.164 4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.237 6.989 3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.851 4.038 3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.312 4.994 4.131 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.831 3.466 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.738 4.962 1.825 1.00 0.00 H new ATOM 495 N ARG A 35 0.502 6.287 2.765 1.00 0.00 N ATOM 496 CA ARG A 35 1.870 5.851 3.016 1.00 0.00 C ATOM 497 C ARG A 35 1.953 5.033 4.301 1.00 0.00 C ATOM 498 O ARG A 35 2.806 4.156 4.435 1.00 0.00 O ATOM 499 CB ARG A 35 2.804 7.060 3.108 1.00 0.00 C ATOM 500 CG ARG A 35 2.550 7.935 4.324 1.00 0.00 C ATOM 501 CD ARG A 35 2.979 9.372 4.076 1.00 0.00 C ATOM 502 NE ARG A 35 3.283 10.076 5.319 1.00 0.00 N ATOM 503 CZ ARG A 35 4.384 9.867 6.031 1.00 0.00 C ATOM 504 NH1 ARG A 35 5.283 8.981 5.625 1.00 0.00 N ATOM 505 NH2 ARG A 35 4.590 10.547 7.152 1.00 0.00 N ATOM 0 H ARG A 35 0.346 7.286 2.898 1.00 0.00 H new ATOM 0 HA ARG A 35 2.182 5.221 2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.836 6.710 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.693 7.664 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.490 7.909 4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.092 7.535 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.857 9.382 3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.187 9.900 3.545 1.00 0.00 H new ATOM 0 HE ARG A 35 2.613 10.766 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.130 8.457 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.128 8.823 6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.902 11.231 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.436 10.386 7.698 1.00 0.00 H new ATOM 519 N GLU A 36 1.061 5.326 5.243 1.00 0.00 N ATOM 520 CA GLU A 36 1.035 4.618 6.517 1.00 0.00 C ATOM 521 C GLU A 36 1.236 3.119 6.310 1.00 0.00 C ATOM 522 O GLU A 36 2.233 2.536 6.737 1.00 0.00 O ATOM 523 CB GLU A 36 -0.289 4.871 7.240 1.00 0.00 C ATOM 524 CG GLU A 36 -0.220 5.993 8.262 1.00 0.00 C ATOM 525 CD GLU A 36 0.455 5.567 9.551 1.00 0.00 C ATOM 526 OE1 GLU A 36 -0.225 4.960 10.405 1.00 0.00 O ATOM 527 OE2 GLU A 36 1.664 5.841 9.706 1.00 0.00 O ATOM 0 H GLU A 36 0.347 6.049 5.147 1.00 0.00 H new ATOM 0 HA GLU A 36 1.853 4.996 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.056 5.109 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.601 3.954 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.322 6.836 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.229 6.341 8.482 1.00 0.00 H new ATOM 534 N PRO A 37 0.266 2.480 5.640 1.00 0.00 N ATOM 535 CA PRO A 37 0.312 1.041 5.361 1.00 0.00 C ATOM 536 C PRO A 37 1.388 0.683 4.342 1.00 0.00 C ATOM 537 O PRO A 37 2.205 -0.208 4.575 1.00 0.00 O ATOM 538 CB PRO A 37 -1.079 0.744 4.797 1.00 0.00 C ATOM 539 CG PRO A 37 -1.542 2.041 4.227 1.00 0.00 C ATOM 540 CD PRO A 37 -0.950 3.112 5.102 1.00 0.00 C ATOM 0 HA PRO A 37 0.558 0.461 6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.039 -0.032 4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.755 0.390 5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.212 2.154 3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.630 2.099 4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.717 4.012 4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.635 3.406 5.897 1.00 0.00 H new ATOM 548 N ALA A 38 1.383 1.382 3.212 1.00 0.00 N ATOM 549 CA ALA A 38 2.360 1.139 2.158 1.00 0.00 C ATOM 550 C ALA A 38 3.751 0.913 2.741 1.00 0.00 C ATOM 551 O ALA A 38 4.530 0.115 2.221 1.00 0.00 O ATOM 552 CB ALA A 38 2.379 2.301 1.177 1.00 0.00 C ATOM 0 H ALA A 38 0.713 2.122 3.003 1.00 0.00 H new ATOM 0 HA ALA A 38 2.066 0.234 1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.113 2.105 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.392 2.414 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.645 3.217 1.704 1.00 0.00 H new ATOM 558 N GLU A 39 4.057 1.623 3.823 1.00 0.00 N ATOM 559 CA GLU A 39 5.355 1.500 4.475 1.00 0.00 C ATOM 560 C GLU A 39 5.429 0.222 5.305 1.00 0.00 C ATOM 561 O GLU A 39 6.310 -0.613 5.101 1.00 0.00 O ATOM 562 CB GLU A 39 5.621 2.715 5.365 1.00 0.00 C ATOM 563 CG GLU A 39 6.868 2.581 6.222 1.00 0.00 C ATOM 564 CD GLU A 39 6.782 3.382 7.507 1.00 0.00 C ATOM 565 OE1 GLU A 39 6.257 4.514 7.466 1.00 0.00 O ATOM 566 OE2 GLU A 39 7.240 2.877 8.553 1.00 0.00 O ATOM 0 H GLU A 39 3.424 2.289 4.266 1.00 0.00 H new ATOM 0 HA GLU A 39 6.119 1.453 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.716 3.601 4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.760 2.875 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.027 1.530 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.735 2.911 5.650 1.00 0.00 H new ATOM 573 N GLU A 40 4.496 0.077 6.242 1.00 0.00 N ATOM 574 CA GLU A 40 4.456 -1.099 7.104 1.00 0.00 C ATOM 575 C GLU A 40 4.415 -2.380 6.275 1.00 0.00 C ATOM 576 O GLU A 40 5.262 -3.259 6.431 1.00 0.00 O ATOM 577 CB GLU A 40 3.240 -1.038 8.030 1.00 0.00 C ATOM 578 CG GLU A 40 3.237 0.169 8.952 1.00 0.00 C ATOM 579 CD GLU A 40 4.496 0.266 9.791 1.00 0.00 C ATOM 580 OE1 GLU A 40 4.703 -0.613 10.654 1.00 0.00 O ATOM 581 OE2 GLU A 40 5.276 1.220 9.585 1.00 0.00 O ATOM 0 H GLU A 40 3.759 0.758 6.423 1.00 0.00 H new ATOM 0 HA GLU A 40 5.363 -1.107 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.333 -1.025 7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.207 -1.945 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.131 1.076 8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.370 0.117 9.610 1.00 0.00 H new ATOM 588 N ALA A 41 3.424 -2.477 5.396 1.00 0.00 N ATOM 589 CA ALA A 41 3.273 -3.648 4.542 1.00 0.00 C ATOM 590 C ALA A 41 4.600 -4.033 3.896 1.00 0.00 C ATOM 591 O ALA A 41 5.174 -5.077 4.209 1.00 0.00 O ATOM 592 CB ALA A 41 2.219 -3.391 3.474 1.00 0.00 C ATOM 0 H ALA A 41 2.713 -1.759 5.256 1.00 0.00 H new ATOM 0 HA ALA A 41 2.948 -4.481 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.117 -4.274 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.263 -3.173 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.521 -2.541 2.862 1.00 0.00 H new ATOM 598 N LEU A 42 5.081 -3.184 2.995 1.00 0.00 N ATOM 599 CA LEU A 42 6.342 -3.435 2.305 1.00 0.00 C ATOM 600 C LEU A 42 7.339 -4.129 3.227 1.00 0.00 C ATOM 601 O LEU A 42 7.723 -5.276 2.994 1.00 0.00 O ATOM 602 CB LEU A 42 6.934 -2.123 1.790 1.00 0.00 C ATOM 603 CG LEU A 42 6.376 -1.609 0.462 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.499 -0.096 0.380 1.00 0.00 C ATOM 605 CD2 LEU A 42 7.093 -2.268 -0.708 1.00 0.00 C ATOM 0 H LEU A 42 4.618 -2.316 2.725 1.00 0.00 H new ATOM 0 HA LEU A 42 6.140 -4.092 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.778 -1.355 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.011 -2.251 1.683 1.00 0.00 H new ATOM 0 HG LEU A 42 5.319 -1.870 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.097 0.251 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.940 0.359 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.549 0.188 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.683 -1.891 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.157 -2.038 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.952 -3.348 -0.659 1.00 0.00 H new ATOM 617 N LYS A 43 7.754 -3.428 4.276 1.00 0.00 N ATOM 618 CA LYS A 43 8.704 -3.976 5.237 1.00 0.00 C ATOM 619 C LYS A 43 8.386 -5.437 5.543 1.00 0.00 C ATOM 620 O LYS A 43 9.289 -6.260 5.691 1.00 0.00 O ATOM 621 CB LYS A 43 8.684 -3.158 6.529 1.00 0.00 C ATOM 622 CG LYS A 43 9.316 -1.784 6.389 1.00 0.00 C ATOM 623 CD LYS A 43 10.819 -1.837 6.604 1.00 0.00 C ATOM 624 CE LYS A 43 11.435 -0.446 6.585 1.00 0.00 C ATOM 625 NZ LYS A 43 12.923 -0.498 6.567 1.00 0.00 N ATOM 0 H LYS A 43 7.447 -2.478 4.483 1.00 0.00 H new ATOM 0 HA LYS A 43 9.700 -3.923 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.652 -3.042 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.208 -3.712 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.103 -1.384 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.868 -1.101 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.034 -2.318 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.277 -2.449 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.080 0.096 5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.102 0.111 7.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.304 0.470 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.263 -0.993 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.242 -1.007 5.718 1.00 0.00 H new ATOM 639 N SER A 44 7.098 -5.751 5.634 1.00 0.00 N ATOM 640 CA SER A 44 6.662 -7.112 5.925 1.00 0.00 C ATOM 641 C SER A 44 6.682 -7.969 4.663 1.00 0.00 C ATOM 642 O SER A 44 6.928 -9.173 4.722 1.00 0.00 O ATOM 643 CB SER A 44 5.255 -7.102 6.526 1.00 0.00 C ATOM 644 OG SER A 44 5.276 -6.636 7.864 1.00 0.00 O ATOM 0 H SER A 44 6.338 -5.082 5.511 1.00 0.00 H new ATOM 0 HA SER A 44 7.355 -7.543 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.604 -6.466 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.835 -8.107 6.494 1.00 0.00 H new ATOM 0 HG SER A 44 4.365 -6.637 8.225 1.00 0.00 H new ATOM 650 N ASN A 45 6.421 -7.339 3.522 1.00 0.00 N ATOM 651 CA ASN A 45 6.409 -8.044 2.246 1.00 0.00 C ATOM 652 C ASN A 45 7.814 -8.132 1.659 1.00 0.00 C ATOM 653 O ASN A 45 7.986 -8.220 0.444 1.00 0.00 O ATOM 654 CB ASN A 45 5.475 -7.338 1.259 1.00 0.00 C ATOM 655 CG ASN A 45 4.013 -7.508 1.624 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.393 -8.519 1.295 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.456 -6.515 2.308 1.00 0.00 N ATOM 0 H ASN A 45 6.215 -6.342 3.455 1.00 0.00 H new ATOM 0 HA ASN A 45 6.044 -9.056 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.718 -6.276 1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.645 -7.732 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.475 -6.572 2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.009 -5.696 2.559 1.00 0.00 H new ATOM 664 N ASN A 46 8.816 -8.108 2.532 1.00 0.00 N ATOM 665 CA ASN A 46 10.207 -8.186 2.100 1.00 0.00 C ATOM 666 C ASN A 46 10.487 -7.186 0.983 1.00 0.00 C ATOM 667 O ASN A 46 11.110 -7.522 -0.024 1.00 0.00 O ATOM 668 CB ASN A 46 10.538 -9.602 1.627 1.00 0.00 C ATOM 669 CG ASN A 46 9.944 -10.667 2.528 1.00 0.00 C ATOM 670 OD1 ASN A 46 10.279 -10.753 3.710 1.00 0.00 O ATOM 671 ND2 ASN A 46 9.057 -11.484 1.974 1.00 0.00 N ATOM 0 H ASN A 46 8.691 -8.035 3.542 1.00 0.00 H new ATOM 0 HA ASN A 46 10.840 -7.938 2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.165 -9.739 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.620 -9.725 1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.623 -12.220 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.809 -11.376 0.990 1.00 0.00 H new ATOM 678 N MET A 47 10.022 -5.955 1.168 1.00 0.00 N ATOM 679 CA MET A 47 10.223 -4.905 0.176 1.00 0.00 C ATOM 680 C MET A 47 9.655 -5.319 -1.178 1.00 0.00 C ATOM 681 O MET A 47 10.305 -5.160 -2.210 1.00 0.00 O ATOM 682 CB MET A 47 11.712 -4.582 0.039 1.00 0.00 C ATOM 683 CG MET A 47 12.434 -4.467 1.372 1.00 0.00 C ATOM 684 SD MET A 47 12.323 -2.813 2.081 1.00 0.00 S ATOM 685 CE MET A 47 10.605 -2.774 2.584 1.00 0.00 C ATOM 0 H MET A 47 9.504 -5.660 1.995 1.00 0.00 H new ATOM 0 HA MET A 47 9.694 -4.014 0.515 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.190 -5.358 -0.558 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.823 -3.645 -0.507 1.00 0.00 H new ATOM 0 HG2 MET A 47 12.012 -5.188 2.073 1.00 0.00 H new ATOM 0 HG3 MET A 47 13.483 -4.731 1.237 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.522 -2.292 3.558 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.024 -2.214 1.851 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.222 -3.792 2.649 1.00 0.00 H new ATOM 695 N ASN A 48 8.437 -5.852 -1.165 1.00 0.00 N ATOM 696 CA ASN A 48 7.782 -6.290 -2.392 1.00 0.00 C ATOM 697 C ASN A 48 6.571 -5.415 -2.704 1.00 0.00 C ATOM 698 O ASN A 48 5.808 -5.050 -1.809 1.00 0.00 O ATOM 699 CB ASN A 48 7.350 -7.753 -2.270 1.00 0.00 C ATOM 700 CG ASN A 48 8.532 -8.702 -2.222 1.00 0.00 C ATOM 701 OD1 ASN A 48 9.647 -8.306 -1.883 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.292 -9.963 -2.561 1.00 0.00 N ATOM 0 H ASN A 48 7.884 -5.991 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 48 8.497 -6.196 -3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.750 -7.878 -1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.713 -8.013 -3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.048 -10.648 -2.547 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.352 -10.247 -2.836 1.00 0.00 H new ATOM 709 N LEU A 49 6.401 -5.084 -3.979 1.00 0.00 N ATOM 710 CA LEU A 49 5.283 -4.253 -4.411 1.00 0.00 C ATOM 711 C LEU A 49 4.049 -5.104 -4.696 1.00 0.00 C ATOM 712 O LEU A 49 3.011 -4.944 -4.054 1.00 0.00 O ATOM 713 CB LEU A 49 5.666 -3.456 -5.660 1.00 0.00 C ATOM 714 CG LEU A 49 4.974 -2.103 -5.831 1.00 0.00 C ATOM 715 CD1 LEU A 49 5.310 -1.180 -4.671 1.00 0.00 C ATOM 716 CD2 LEU A 49 5.371 -1.466 -7.155 1.00 0.00 C ATOM 0 H LEU A 49 7.023 -5.378 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 49 5.045 -3.560 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.743 -3.291 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.449 -4.066 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 49 3.896 -2.266 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.808 -0.222 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.975 -1.632 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.388 -1.023 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.870 -0.504 -7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.451 -1.317 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.077 -2.120 -7.976 1.00 0.00 H new ATOM 728 N ASP A 50 4.172 -6.010 -5.660 1.00 0.00 N ATOM 729 CA ASP A 50 3.068 -6.889 -6.027 1.00 0.00 C ATOM 730 C ASP A 50 2.478 -7.565 -4.793 1.00 0.00 C ATOM 731 O ASP A 50 1.259 -7.646 -4.643 1.00 0.00 O ATOM 732 CB ASP A 50 3.542 -7.947 -7.026 1.00 0.00 C ATOM 733 CG ASP A 50 2.404 -8.513 -7.852 1.00 0.00 C ATOM 734 OD1 ASP A 50 1.319 -8.752 -7.282 1.00 0.00 O ATOM 735 OD2 ASP A 50 2.599 -8.718 -9.069 1.00 0.00 O ATOM 0 H ASP A 50 5.025 -6.155 -6.201 1.00 0.00 H new ATOM 0 HA ASP A 50 2.291 -6.282 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.286 -7.508 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.034 -8.757 -6.487 1.00 0.00 H new ATOM 740 N GLN A 51 3.350 -8.048 -3.915 1.00 0.00 N ATOM 741 CA GLN A 51 2.914 -8.719 -2.696 1.00 0.00 C ATOM 742 C GLN A 51 2.125 -7.766 -1.803 1.00 0.00 C ATOM 743 O GLN A 51 1.051 -8.108 -1.311 1.00 0.00 O ATOM 744 CB GLN A 51 4.120 -9.270 -1.933 1.00 0.00 C ATOM 745 CG GLN A 51 4.611 -10.610 -2.457 1.00 0.00 C ATOM 746 CD GLN A 51 5.599 -11.277 -1.520 1.00 0.00 C ATOM 747 OE1 GLN A 51 5.866 -10.781 -0.426 1.00 0.00 O ATOM 748 NE2 GLN A 51 6.148 -12.409 -1.946 1.00 0.00 N ATOM 0 H GLN A 51 4.362 -7.987 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 51 2.263 -9.546 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.935 -8.548 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.856 -9.375 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.758 -11.271 -2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.080 -10.465 -3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.898 -12.785 -2.861 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.820 -12.903 -1.358 1.00 0.00 H new ATOM 757 N ALA A 52 2.667 -6.570 -1.599 1.00 0.00 N ATOM 758 CA ALA A 52 2.012 -5.567 -0.767 1.00 0.00 C ATOM 759 C ALA A 52 0.656 -5.176 -1.344 1.00 0.00 C ATOM 760 O ALA A 52 -0.377 -5.352 -0.699 1.00 0.00 O ATOM 761 CB ALA A 52 2.901 -4.340 -0.623 1.00 0.00 C ATOM 0 H ALA A 52 3.557 -6.272 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 52 1.846 -6.000 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.400 -3.599 0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.845 -4.627 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.096 -3.914 -1.607 1.00 0.00 H new ATOM 767 N MET A 53 0.667 -4.643 -2.561 1.00 0.00 N ATOM 768 CA MET A 53 -0.563 -4.227 -3.225 1.00 0.00 C ATOM 769 C MET A 53 -1.711 -5.171 -2.882 1.00 0.00 C ATOM 770 O MET A 53 -2.805 -4.730 -2.529 1.00 0.00 O ATOM 771 CB MET A 53 -0.360 -4.181 -4.740 1.00 0.00 C ATOM 772 CG MET A 53 0.281 -2.892 -5.229 1.00 0.00 C ATOM 773 SD MET A 53 0.927 -3.030 -6.906 1.00 0.00 S ATOM 774 CE MET A 53 -0.592 -3.173 -7.844 1.00 0.00 C ATOM 0 H MET A 53 1.514 -4.489 -3.108 1.00 0.00 H new ATOM 0 HA MET A 53 -0.818 -3.228 -2.870 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.263 -5.024 -5.041 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.325 -4.307 -5.232 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.455 -2.088 -5.192 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.090 -2.614 -4.554 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.470 -2.684 -8.810 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.827 -4.226 -7.998 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.404 -2.696 -7.296 1.00 0.00 H new ATOM 784 N SER A 54 -1.455 -6.471 -2.988 1.00 0.00 N ATOM 785 CA SER A 54 -2.469 -7.476 -2.694 1.00 0.00 C ATOM 786 C SER A 54 -2.810 -7.484 -1.207 1.00 0.00 C ATOM 787 O SER A 54 -3.980 -7.528 -0.828 1.00 0.00 O ATOM 788 CB SER A 54 -1.983 -8.862 -3.124 1.00 0.00 C ATOM 789 OG SER A 54 -0.834 -9.250 -2.391 1.00 0.00 O ATOM 0 H SER A 54 -0.554 -6.853 -3.275 1.00 0.00 H new ATOM 0 HA SER A 54 -3.369 -7.224 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.778 -9.592 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.753 -8.856 -4.190 1.00 0.00 H new ATOM 0 HG SER A 54 -0.260 -8.469 -2.245 1.00 0.00 H new ATOM 795 N ALA A 55 -1.780 -7.440 -0.369 1.00 0.00 N ATOM 796 CA ALA A 55 -1.970 -7.439 1.076 1.00 0.00 C ATOM 797 C ALA A 55 -2.845 -6.271 1.514 1.00 0.00 C ATOM 798 O ALA A 55 -3.623 -6.386 2.463 1.00 0.00 O ATOM 799 CB ALA A 55 -0.624 -7.388 1.785 1.00 0.00 C ATOM 0 H ALA A 55 -0.805 -7.405 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.479 -8.363 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.781 -7.388 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.032 -8.259 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.094 -6.481 1.495 1.00 0.00 H new ATOM 805 N LEU A 56 -2.714 -5.146 0.820 1.00 0.00 N ATOM 806 CA LEU A 56 -3.493 -3.955 1.138 1.00 0.00 C ATOM 807 C LEU A 56 -4.876 -4.021 0.496 1.00 0.00 C ATOM 808 O LEU A 56 -5.886 -3.742 1.143 1.00 0.00 O ATOM 809 CB LEU A 56 -2.759 -2.699 0.664 1.00 0.00 C ATOM 810 CG LEU A 56 -1.285 -2.594 1.059 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.512 -1.790 0.026 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.146 -1.968 2.439 1.00 0.00 C ATOM 0 H LEU A 56 -2.075 -5.034 0.033 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.616 -3.910 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.828 -2.651 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.283 -1.827 1.056 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.865 -3.599 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.535 -1.726 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.584 -2.280 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.932 -0.786 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.091 -1.901 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.582 -0.969 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.666 -2.585 3.172 1.00 0.00 H new ATOM 824 N LEU A 57 -4.914 -4.395 -0.778 1.00 0.00 N ATOM 825 CA LEU A 57 -6.173 -4.501 -1.507 1.00 0.00 C ATOM 826 C LEU A 57 -7.118 -5.482 -0.821 1.00 0.00 C ATOM 827 O LEU A 57 -8.300 -5.192 -0.636 1.00 0.00 O ATOM 828 CB LEU A 57 -5.914 -4.946 -2.948 1.00 0.00 C ATOM 829 CG LEU A 57 -5.650 -3.829 -3.958 1.00 0.00 C ATOM 830 CD1 LEU A 57 -4.979 -4.384 -5.204 1.00 0.00 C ATOM 831 CD2 LEU A 57 -6.947 -3.119 -4.320 1.00 0.00 C ATOM 0 H LEU A 57 -4.088 -4.630 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.644 -3.518 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.058 -5.621 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.774 -5.522 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.977 -3.103 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.799 -3.575 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.030 -4.845 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.626 -5.131 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.740 -2.327 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.643 -3.834 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.388 -2.687 -3.422 1.00 0.00 H new ATOM 843 N GLU A 58 -6.589 -6.642 -0.445 1.00 0.00 N ATOM 844 CA GLU A 58 -7.386 -7.664 0.221 1.00 0.00 C ATOM 845 C GLU A 58 -8.372 -7.033 1.200 1.00 0.00 C ATOM 846 O GLU A 58 -9.586 -7.192 1.066 1.00 0.00 O ATOM 847 CB GLU A 58 -6.478 -8.650 0.960 1.00 0.00 C ATOM 848 CG GLU A 58 -6.038 -9.828 0.108 1.00 0.00 C ATOM 849 CD GLU A 58 -7.113 -10.890 -0.019 1.00 0.00 C ATOM 850 OE1 GLU A 58 -8.129 -10.629 -0.697 1.00 0.00 O ATOM 851 OE2 GLU A 58 -6.939 -11.982 0.561 1.00 0.00 O ATOM 0 H GLU A 58 -5.612 -6.897 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.950 -8.202 -0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.595 -8.120 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.002 -9.024 1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.766 -9.471 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.143 -10.272 0.544 1.00 0.00 H new ATOM 858 N LYS A 59 -7.842 -6.316 2.185 1.00 0.00 N ATOM 859 CA LYS A 59 -8.673 -5.659 3.187 1.00 0.00 C ATOM 860 C LYS A 59 -9.915 -5.047 2.547 1.00 0.00 C ATOM 861 O LYS A 59 -11.039 -5.296 2.986 1.00 0.00 O ATOM 862 CB LYS A 59 -7.873 -4.574 3.912 1.00 0.00 C ATOM 863 CG LYS A 59 -6.786 -5.124 4.819 1.00 0.00 C ATOM 864 CD LYS A 59 -6.365 -4.105 5.865 1.00 0.00 C ATOM 865 CE LYS A 59 -5.230 -3.227 5.361 1.00 0.00 C ATOM 866 NZ LYS A 59 -3.987 -4.010 5.120 1.00 0.00 N ATOM 0 H LYS A 59 -6.840 -6.175 2.311 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.990 -6.411 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.418 -3.914 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.556 -3.966 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.145 -6.027 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.922 -5.411 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.218 -3.481 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.052 -4.621 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.534 -2.735 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.028 -2.441 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.169 -3.368 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.867 -4.713 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.055 -4.497 4.203 1.00 0.00 H new ATOM 880 N LYS A 60 -9.707 -4.247 1.507 1.00 0.00 N ATOM 881 CA LYS A 60 -10.809 -3.602 0.804 1.00 0.00 C ATOM 882 C LYS A 60 -11.107 -4.313 -0.512 1.00 0.00 C ATOM 883 O LYS A 60 -10.394 -4.137 -1.500 1.00 0.00 O ATOM 884 CB LYS A 60 -10.480 -2.131 0.538 1.00 0.00 C ATOM 885 CG LYS A 60 -10.909 -1.199 1.658 1.00 0.00 C ATOM 886 CD LYS A 60 -10.732 0.259 1.269 1.00 0.00 C ATOM 887 CE LYS A 60 -9.313 0.738 1.531 1.00 0.00 C ATOM 888 NZ LYS A 60 -9.100 2.132 1.055 1.00 0.00 N ATOM 0 H LYS A 60 -8.784 -4.030 1.132 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.694 -3.662 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.406 -2.030 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.965 -1.821 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.953 -1.386 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.324 -1.411 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.971 0.386 0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.434 0.874 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.103 0.683 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.608 0.073 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.120 2.420 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.275 2.180 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.755 2.771 1.549 1.00 0.00 H new ATOM 902 N VAL A 61 -12.165 -5.118 -0.518 1.00 0.00 N ATOM 903 CA VAL A 61 -12.558 -5.854 -1.714 1.00 0.00 C ATOM 904 C VAL A 61 -13.437 -5.000 -2.621 1.00 0.00 C ATOM 905 O VAL A 61 -14.600 -4.741 -2.311 1.00 0.00 O ATOM 906 CB VAL A 61 -13.315 -7.147 -1.353 1.00 0.00 C ATOM 907 CG1 VAL A 61 -13.755 -7.877 -2.613 1.00 0.00 C ATOM 908 CG2 VAL A 61 -12.449 -8.044 -0.482 1.00 0.00 C ATOM 0 H VAL A 61 -12.765 -5.277 0.291 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.641 -6.114 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.207 -6.880 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.288 -8.787 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.413 -7.233 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.879 -8.135 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.999 -8.953 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.538 -8.305 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.189 -7.518 0.436 1.00 0.00 H new ATOM 918 N ASP A 62 -12.874 -4.566 -3.743 1.00 0.00 N ATOM 919 CA ASP A 62 -13.606 -3.742 -4.697 1.00 0.00 C ATOM 920 C ASP A 62 -14.194 -4.597 -5.815 1.00 0.00 C ATOM 921 O ASP A 62 -13.499 -5.419 -6.412 1.00 0.00 O ATOM 922 CB ASP A 62 -12.689 -2.669 -5.287 1.00 0.00 C ATOM 923 CG ASP A 62 -12.010 -1.836 -4.217 1.00 0.00 C ATOM 924 OD1 ASP A 62 -11.264 -2.414 -3.400 1.00 0.00 O ATOM 925 OD2 ASP A 62 -12.226 -0.606 -4.197 1.00 0.00 O ATOM 0 H ASP A 62 -11.912 -4.771 -4.014 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.425 -3.257 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.931 -3.145 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.270 -2.016 -5.938 1.00 0.00 H new ATOM 930 N VAL A 63 -15.479 -4.399 -6.093 1.00 0.00 N ATOM 931 CA VAL A 63 -16.160 -5.151 -7.139 1.00 0.00 C ATOM 932 C VAL A 63 -15.279 -5.297 -8.374 1.00 0.00 C ATOM 933 O VAL A 63 -15.307 -6.324 -9.052 1.00 0.00 O ATOM 934 CB VAL A 63 -17.485 -4.478 -7.543 1.00 0.00 C ATOM 935 CG1 VAL A 63 -17.247 -3.030 -7.945 1.00 0.00 C ATOM 936 CG2 VAL A 63 -18.152 -5.249 -8.672 1.00 0.00 C ATOM 0 H VAL A 63 -16.069 -3.723 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 63 -16.373 -6.139 -6.730 1.00 0.00 H new ATOM 0 HB VAL A 63 -18.154 -4.487 -6.682 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -18.194 -2.570 -8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.816 -2.485 -7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.561 -2.995 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.087 -4.759 -8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.489 -5.273 -9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -18.358 -6.268 -8.344 1.00 0.00 H new ATOM 946 N ASP A 64 -14.496 -4.263 -8.660 1.00 0.00 N ATOM 947 CA ASP A 64 -13.604 -4.275 -9.814 1.00 0.00 C ATOM 948 C ASP A 64 -12.152 -4.097 -9.380 1.00 0.00 C ATOM 949 O ASP A 64 -11.823 -3.168 -8.642 1.00 0.00 O ATOM 950 CB ASP A 64 -13.994 -3.173 -10.799 1.00 0.00 C ATOM 951 CG ASP A 64 -13.135 -3.182 -12.049 1.00 0.00 C ATOM 952 OD1 ASP A 64 -11.951 -3.566 -11.952 1.00 0.00 O ATOM 953 OD2 ASP A 64 -13.647 -2.805 -13.124 1.00 0.00 O ATOM 0 H ASP A 64 -14.461 -3.406 -8.109 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.701 -5.242 -10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.040 -3.295 -11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.906 -2.204 -10.308 1.00 0.00 H new ATOM 958 N LYS A 65 -11.287 -4.993 -9.842 1.00 0.00 N ATOM 959 CA LYS A 65 -9.870 -4.936 -9.503 1.00 0.00 C ATOM 960 C LYS A 65 -9.170 -3.824 -10.278 1.00 0.00 C ATOM 961 O LYS A 65 -8.887 -3.966 -11.467 1.00 0.00 O ATOM 962 CB LYS A 65 -9.199 -6.279 -9.799 1.00 0.00 C ATOM 963 CG LYS A 65 -9.610 -7.388 -8.846 1.00 0.00 C ATOM 964 CD LYS A 65 -8.752 -7.393 -7.593 1.00 0.00 C ATOM 965 CE LYS A 65 -9.201 -6.327 -6.605 1.00 0.00 C ATOM 966 NZ LYS A 65 -8.819 -6.670 -5.207 1.00 0.00 N ATOM 0 H LYS A 65 -11.543 -5.769 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.785 -4.722 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.441 -6.579 -10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.117 -6.153 -9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.657 -7.263 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.526 -8.351 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.803 -8.374 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.710 -7.224 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.758 -5.369 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.283 -6.207 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.143 -5.919 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.262 -7.571 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.785 -6.759 -5.142 1.00 0.00 H new ATOM 980 N ARG A 66 -8.892 -2.718 -9.595 1.00 0.00 N ATOM 981 CA ARG A 66 -8.225 -1.582 -10.219 1.00 0.00 C ATOM 982 C ARG A 66 -6.918 -1.257 -9.501 1.00 0.00 C ATOM 983 O ARG A 66 -6.916 -0.590 -8.467 1.00 0.00 O ATOM 984 CB ARG A 66 -9.141 -0.358 -10.212 1.00 0.00 C ATOM 985 CG ARG A 66 -10.275 -0.440 -11.221 1.00 0.00 C ATOM 986 CD ARG A 66 -9.860 0.119 -12.573 1.00 0.00 C ATOM 987 NE ARG A 66 -9.987 1.573 -12.627 1.00 0.00 N ATOM 988 CZ ARG A 66 -10.105 2.259 -13.758 1.00 0.00 C ATOM 989 NH1 ARG A 66 -10.112 1.626 -14.923 1.00 0.00 N ATOM 990 NH2 ARG A 66 -10.216 3.581 -13.726 1.00 0.00 N ATOM 0 H ARG A 66 -9.118 -2.585 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.996 -1.850 -11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.562 -0.236 -9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.546 0.532 -10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.587 -1.478 -11.336 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.137 0.112 -10.847 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.828 -0.163 -12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.475 -0.328 -13.354 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.985 2.090 -11.748 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.027 0.610 -14.952 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.203 2.155 -15.790 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.211 4.072 -12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.307 4.106 -14.596 1.00 0.00 H new ATOM 1004 N GLY A 67 -5.809 -1.735 -10.056 1.00 0.00 N ATOM 1005 CA GLY A 67 -4.511 -1.485 -9.455 1.00 0.00 C ATOM 1006 C GLY A 67 -3.442 -1.187 -10.487 1.00 0.00 C ATOM 1007 O GLY A 67 -3.554 -0.224 -11.247 1.00 0.00 O ATOM 0 H GLY A 67 -5.786 -2.291 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.589 -0.645 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.213 -2.353 -8.868 1.00 0.00 H new ATOM 1011 N LEU A 68 -2.401 -2.012 -10.513 1.00 0.00 N ATOM 1012 CA LEU A 68 -1.305 -1.830 -11.459 1.00 0.00 C ATOM 1013 C LEU A 68 -0.652 -3.166 -11.798 1.00 0.00 C ATOM 1014 O LEU A 68 -0.597 -4.071 -10.966 1.00 0.00 O ATOM 1015 CB LEU A 68 -0.262 -0.872 -10.882 1.00 0.00 C ATOM 1016 CG LEU A 68 1.029 -0.720 -11.689 1.00 0.00 C ATOM 1017 CD1 LEU A 68 0.788 0.131 -12.926 1.00 0.00 C ATOM 1018 CD2 LEU A 68 2.128 -0.115 -10.828 1.00 0.00 C ATOM 0 H LEU A 68 -2.293 -2.813 -9.891 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.714 -1.403 -12.375 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.720 0.112 -10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.002 -1.211 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 68 1.352 -1.710 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.717 0.228 -13.487 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.033 -0.344 -13.553 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.441 1.120 -12.626 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.039 -0.014 -11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.814 0.867 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.319 -0.764 -9.973 1.00 0.00 H new ATOM 1030 N GLY A 69 -0.157 -3.282 -13.027 1.00 0.00 N ATOM 1031 CA GLY A 69 0.488 -4.510 -13.454 1.00 0.00 C ATOM 1032 C GLY A 69 -0.293 -5.228 -14.537 1.00 0.00 C ATOM 1033 O GLY A 69 -1.410 -5.690 -14.305 1.00 0.00 O ATOM 0 H GLY A 69 -0.191 -2.548 -13.734 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.489 -4.283 -13.822 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.607 -5.172 -12.596 1.00 0.00 H new ATOM 1037 N VAL A 70 0.296 -5.321 -15.726 1.00 0.00 N ATOM 1038 CA VAL A 70 -0.352 -5.987 -16.850 1.00 0.00 C ATOM 1039 C VAL A 70 -1.113 -7.225 -16.390 1.00 0.00 C ATOM 1040 O VAL A 70 -0.572 -8.072 -15.678 1.00 0.00 O ATOM 1041 CB VAL A 70 0.672 -6.397 -17.925 1.00 0.00 C ATOM 1042 CG1 VAL A 70 1.623 -7.452 -17.382 1.00 0.00 C ATOM 1043 CG2 VAL A 70 -0.039 -6.899 -19.173 1.00 0.00 C ATOM 0 H VAL A 70 1.220 -4.944 -15.935 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.053 -5.272 -17.281 1.00 0.00 H new ATOM 0 HB VAL A 70 1.259 -5.520 -18.197 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.339 -7.729 -18.156 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.157 -7.052 -16.520 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.056 -8.333 -17.080 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.699 -7.184 -19.922 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.652 -7.764 -18.919 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.675 -6.109 -19.572 1.00 0.00 H new ATOM 1053 N THR A 71 -2.373 -7.326 -16.802 1.00 0.00 N ATOM 1054 CA THR A 71 -3.210 -8.460 -16.433 1.00 0.00 C ATOM 1055 C THR A 71 -3.140 -9.561 -17.486 1.00 0.00 C ATOM 1056 O THR A 71 -3.535 -9.360 -18.634 1.00 0.00 O ATOM 1057 CB THR A 71 -4.679 -8.037 -16.245 1.00 0.00 C ATOM 1058 OG1 THR A 71 -5.198 -7.513 -17.472 1.00 0.00 O ATOM 1059 CG2 THR A 71 -4.805 -6.992 -15.148 1.00 0.00 C ATOM 0 H THR A 71 -2.836 -6.635 -17.392 1.00 0.00 H new ATOM 0 HA THR A 71 -2.826 -8.841 -15.487 1.00 0.00 H new ATOM 0 HB THR A 71 -5.253 -8.917 -15.954 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.719 -7.914 -18.227 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.851 -6.709 -15.034 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.436 -7.404 -14.209 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.218 -6.113 -15.414 1.00 0.00 H new ATOM 1067 N ASP A 72 -2.636 -10.723 -17.087 1.00 0.00 N ATOM 1068 CA ASP A 72 -2.517 -11.857 -17.996 1.00 0.00 C ATOM 1069 C ASP A 72 -3.862 -12.552 -18.178 1.00 0.00 C ATOM 1070 O ASP A 72 -4.811 -12.296 -17.435 1.00 0.00 O ATOM 1071 CB ASP A 72 -1.481 -12.853 -17.470 1.00 0.00 C ATOM 1072 CG ASP A 72 -2.044 -13.760 -16.394 1.00 0.00 C ATOM 1073 OD1 ASP A 72 -2.120 -13.320 -15.228 1.00 0.00 O ATOM 1074 OD2 ASP A 72 -2.409 -14.910 -16.717 1.00 0.00 O ATOM 0 H ASP A 72 -2.303 -10.905 -16.140 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.189 -11.481 -18.965 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.113 -13.460 -18.297 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.627 -12.307 -17.070 1.00 0.00 H new ATOM 1079 N HIS A 73 -3.939 -13.433 -19.171 1.00 0.00 N ATOM 1080 CA HIS A 73 -5.169 -14.165 -19.451 1.00 0.00 C ATOM 1081 C HIS A 73 -4.923 -15.270 -20.473 1.00 0.00 C ATOM 1082 O HIS A 73 -4.363 -15.027 -21.541 1.00 0.00 O ATOM 1083 CB HIS A 73 -6.249 -13.212 -19.963 1.00 0.00 C ATOM 1084 CG HIS A 73 -7.415 -13.910 -20.593 1.00 0.00 C ATOM 1085 ND1 HIS A 73 -8.656 -13.989 -19.997 1.00 0.00 N ATOM 1086 CD2 HIS A 73 -7.523 -14.563 -21.773 1.00 0.00 C ATOM 1087 CE1 HIS A 73 -9.477 -14.661 -20.784 1.00 0.00 C ATOM 1088 NE2 HIS A 73 -8.814 -15.020 -21.869 1.00 0.00 N ATOM 0 H HIS A 73 -3.164 -13.657 -19.795 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.510 -14.623 -18.522 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.606 -12.602 -19.133 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.806 -12.532 -20.691 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.739 -14.699 -22.504 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.514 -14.880 -20.576 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.199 -15.550 -22.651 1.00 0.00 H new ATOM 1097 N ASN A 74 -5.344 -16.485 -20.137 1.00 0.00 N ATOM 1098 CA ASN A 74 -5.168 -17.628 -21.026 1.00 0.00 C ATOM 1099 C ASN A 74 -6.408 -18.517 -21.021 1.00 0.00 C ATOM 1100 O ASN A 74 -7.247 -18.424 -20.126 1.00 0.00 O ATOM 1101 CB ASN A 74 -3.942 -18.441 -20.607 1.00 0.00 C ATOM 1102 CG ASN A 74 -3.557 -19.482 -21.642 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -3.666 -20.684 -21.400 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -3.105 -19.022 -22.803 1.00 0.00 N ATOM 0 H ASN A 74 -5.809 -16.704 -19.256 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.018 -17.251 -22.038 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.101 -17.767 -20.443 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.144 -18.935 -19.657 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.831 -19.674 -23.538 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.031 -18.017 -22.959 1.00 0.00 H new ATOM 1111 N GLY A 75 -6.515 -19.379 -22.027 1.00 0.00 N ATOM 1112 CA GLY A 75 -7.655 -20.273 -22.120 1.00 0.00 C ATOM 1113 C GLY A 75 -7.784 -20.908 -23.490 1.00 0.00 C ATOM 1114 O GLY A 75 -7.786 -22.132 -23.617 1.00 0.00 O ATOM 0 H GLY A 75 -5.833 -19.475 -22.779 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.561 -21.056 -21.368 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.566 -19.720 -21.892 1.00 0.00 H new ATOM 1118 N MET A 76 -7.895 -20.074 -24.519 1.00 0.00 N ATOM 1119 CA MET A 76 -8.026 -20.561 -25.887 1.00 0.00 C ATOM 1120 C MET A 76 -6.780 -21.332 -26.311 1.00 0.00 C ATOM 1121 O MET A 76 -5.660 -20.838 -26.185 1.00 0.00 O ATOM 1122 CB MET A 76 -8.269 -19.394 -26.846 1.00 0.00 C ATOM 1123 CG MET A 76 -9.680 -18.834 -26.776 1.00 0.00 C ATOM 1124 SD MET A 76 -10.934 -20.053 -27.216 1.00 0.00 S ATOM 1125 CE MET A 76 -12.392 -19.320 -26.478 1.00 0.00 C ATOM 0 H MET A 76 -7.897 -19.058 -24.431 1.00 0.00 H new ATOM 0 HA MET A 76 -8.880 -21.237 -25.925 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.559 -18.597 -26.623 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.068 -19.724 -27.865 1.00 0.00 H new ATOM 0 HG2 MET A 76 -9.872 -18.469 -25.767 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.761 -17.978 -27.446 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.255 -19.959 -26.665 1.00 0.00 H new ATOM 0 HE2 MET A 76 -12.243 -19.217 -25.403 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.567 -18.337 -26.916 1.00 0.00 H new ATOM 1135 N ALA A 77 -6.983 -22.545 -26.814 1.00 0.00 N ATOM 1136 CA ALA A 77 -5.876 -23.383 -27.258 1.00 0.00 C ATOM 1137 C ALA A 77 -5.846 -23.494 -28.779 1.00 0.00 C ATOM 1138 O ALA A 77 -6.849 -23.247 -29.448 1.00 0.00 O ATOM 1139 CB ALA A 77 -5.974 -24.765 -26.629 1.00 0.00 C ATOM 0 H ALA A 77 -7.904 -22.969 -26.924 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.947 -22.914 -26.935 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.141 -25.380 -26.970 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.938 -24.674 -25.543 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.914 -25.233 -26.923 1.00 0.00 H new ATOM 1145 N ALA A 78 -4.690 -23.865 -29.318 1.00 0.00 N ATOM 1146 CA ALA A 78 -4.531 -24.009 -30.760 1.00 0.00 C ATOM 1147 C ALA A 78 -3.357 -24.923 -31.094 1.00 0.00 C ATOM 1148 O ALA A 78 -2.370 -24.977 -30.361 1.00 0.00 O ATOM 1149 CB ALA A 78 -4.342 -22.646 -31.409 1.00 0.00 C ATOM 0 H ALA A 78 -3.850 -24.071 -28.778 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.438 -24.466 -31.157 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.225 -22.769 -32.486 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.214 -22.023 -31.208 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.452 -22.168 -30.999 1.00 0.00 H new ATOM 1155 N LYS A 79 -3.472 -25.642 -32.206 1.00 0.00 N ATOM 1156 CA LYS A 79 -2.420 -26.555 -32.638 1.00 0.00 C ATOM 1157 C LYS A 79 -1.898 -27.379 -31.466 1.00 0.00 C ATOM 1158 O LYS A 79 -0.694 -27.602 -31.338 1.00 0.00 O ATOM 1159 CB LYS A 79 -1.270 -25.775 -33.279 1.00 0.00 C ATOM 1160 CG LYS A 79 -1.607 -25.207 -34.647 1.00 0.00 C ATOM 1161 CD LYS A 79 -1.698 -26.302 -35.697 1.00 0.00 C ATOM 1162 CE LYS A 79 -0.319 -26.773 -36.132 1.00 0.00 C ATOM 1163 NZ LYS A 79 -0.370 -28.111 -36.784 1.00 0.00 N ATOM 0 H LYS A 79 -4.283 -25.610 -32.824 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.846 -27.235 -33.376 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.983 -24.958 -32.617 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.404 -26.431 -33.371 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.554 -24.670 -34.596 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.846 -24.483 -34.939 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.262 -27.145 -35.297 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.247 -25.932 -36.563 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.111 -26.048 -36.823 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.340 -26.816 -35.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.589 -28.397 -37.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.757 -28.808 -36.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.979 -28.064 -37.626 1.00 0.00 H new ATOM 1177 N SER A 80 -2.812 -27.830 -30.612 1.00 0.00 N ATOM 1178 CA SER A 80 -2.443 -28.628 -29.448 1.00 0.00 C ATOM 1179 C SER A 80 -2.892 -30.076 -29.618 1.00 0.00 C ATOM 1180 O SER A 80 -4.077 -30.387 -29.509 1.00 0.00 O ATOM 1181 CB SER A 80 -3.062 -28.035 -28.181 1.00 0.00 C ATOM 1182 OG SER A 80 -4.470 -28.196 -28.178 1.00 0.00 O ATOM 0 H SER A 80 -3.813 -27.656 -30.704 1.00 0.00 H new ATOM 0 HA SER A 80 -1.357 -28.611 -29.355 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.635 -28.520 -27.303 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.814 -26.976 -28.113 1.00 0.00 H new ATOM 0 HG SER A 80 -4.729 -28.823 -28.885 1.00 0.00 H new ATOM 1188 N GLY A 81 -1.934 -30.958 -29.887 1.00 0.00 N ATOM 1189 CA GLY A 81 -2.250 -32.363 -30.068 1.00 0.00 C ATOM 1190 C GLY A 81 -3.277 -32.860 -29.070 1.00 0.00 C ATOM 1191 O GLY A 81 -3.325 -32.416 -27.923 1.00 0.00 O ATOM 0 H GLY A 81 -0.946 -30.725 -29.983 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.625 -32.520 -31.079 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.338 -32.953 -29.971 1.00 0.00 H new ATOM 1195 N PRO A 82 -4.125 -33.803 -29.508 1.00 0.00 N ATOM 1196 CA PRO A 82 -5.173 -34.380 -28.661 1.00 0.00 C ATOM 1197 C PRO A 82 -4.605 -35.265 -27.557 1.00 0.00 C ATOM 1198 O PRO A 82 -3.696 -36.061 -27.793 1.00 0.00 O ATOM 1199 CB PRO A 82 -6.003 -35.213 -29.641 1.00 0.00 C ATOM 1200 CG PRO A 82 -5.060 -35.551 -30.744 1.00 0.00 C ATOM 1201 CD PRO A 82 -4.126 -34.378 -30.864 1.00 0.00 C ATOM 0 HA PRO A 82 -5.746 -33.612 -28.142 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.393 -36.112 -29.164 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.860 -34.651 -30.011 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.511 -36.466 -30.521 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.596 -35.720 -31.678 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.127 -34.689 -31.169 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.476 -33.659 -31.605 1.00 0.00 H new ATOM 1209 N SER A 83 -5.146 -35.122 -26.352 1.00 0.00 N ATOM 1210 CA SER A 83 -4.690 -35.907 -25.211 1.00 0.00 C ATOM 1211 C SER A 83 -5.818 -36.776 -24.663 1.00 0.00 C ATOM 1212 O SER A 83 -6.592 -36.343 -23.809 1.00 0.00 O ATOM 1213 CB SER A 83 -4.161 -34.985 -24.110 1.00 0.00 C ATOM 1214 OG SER A 83 -2.804 -34.646 -24.337 1.00 0.00 O ATOM 0 H SER A 83 -5.901 -34.470 -26.140 1.00 0.00 H new ATOM 0 HA SER A 83 -3.884 -36.559 -25.549 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.764 -34.078 -24.070 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.259 -35.476 -23.142 1.00 0.00 H new ATOM 0 HG SER A 83 -2.490 -34.055 -23.621 1.00 0.00 H new ATOM 1220 N SER A 84 -5.905 -38.005 -25.162 1.00 0.00 N ATOM 1221 CA SER A 84 -6.941 -38.935 -24.727 1.00 0.00 C ATOM 1222 C SER A 84 -6.389 -40.354 -24.628 1.00 0.00 C ATOM 1223 O SER A 84 -5.335 -40.662 -25.181 1.00 0.00 O ATOM 1224 CB SER A 84 -8.125 -38.902 -25.695 1.00 0.00 C ATOM 1225 OG SER A 84 -9.109 -39.854 -25.329 1.00 0.00 O ATOM 0 H SER A 84 -5.271 -38.380 -25.868 1.00 0.00 H new ATOM 0 HA SER A 84 -7.281 -38.626 -23.739 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.565 -37.905 -25.703 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.777 -39.105 -26.708 1.00 0.00 H new ATOM 0 HG SER A 84 -9.856 -39.812 -25.962 1.00 0.00 H new ATOM 1231 N GLY A 85 -7.113 -41.215 -23.919 1.00 0.00 N ATOM 1232 CA GLY A 85 -6.681 -42.591 -23.759 1.00 0.00 C ATOM 1233 C GLY A 85 -6.285 -42.913 -22.332 1.00 0.00 C ATOM 1234 O GLY A 85 -5.187 -43.411 -22.083 1.00 0.00 O ATOM 0 H GLY A 85 -7.990 -40.984 -23.453 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.485 -43.259 -24.069 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.835 -42.782 -24.419 1.00 0.00 H new TER 1238 GLY A 85