USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 910 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: 1 0 HIS : no HD1:sc= 0.131 K(o=0.3,f=-6.9!) USER MOD Set 1.2: 1 -1 HIS : no HE2:sc= 0.166 K(o=0.3,f=-4.6!) USER MOD Single : 1 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 4 SER OG : rot 180:sc= 0 USER MOD Single : 1 5 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 6 SER OG : rot 61:sc= 0.654 USER MOD Single : 1 -2 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : 1 -3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ -172:sc= 0 (180deg=-0.0783) USER MOD Single : 1 11 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 13 ASN :FLIP amide:sc= 0.932 F(o=-0.2,f=0.93) USER MOD Single : 1 15 TYR OH : rot 180:sc= 0 USER MOD Single : 1 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 18 SER OG : rot 180:sc= 0 USER MOD Single : 1 19 ASN : amide:sc=-0.00211 K(o=-0.0021,f=-2.1) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 MET CE :methyl -165:sc= -0.0976 (180deg=-0.582) USER MOD Single : 1 29 SER OG : rot 31:sc= -1.44! USER MOD Single : 1 31 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : 1 32 THR OG1 : rot -60:sc= -3.12! USER MOD Single : 1 33 SER OG : rot 180:sc= -2.1! USER MOD Single : 1 36 SER OG : rot 180:sc= 0 USER MOD Single : 1 40 TYR OH : rot 180:sc= 0 USER MOD Single : 1 42 SER OG : rot -12:sc= 0.401 USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot -172:sc= -0.381 USER MOD Single : 1 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 57 THR OG1 : rot 180:sc= 0.00507 USER MOD Single : 1 58 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 180:sc= 0 USER MOD Single : 1 68 THR OG1 : rot -170:sc= 0 USER MOD Single : 1 74 SER OG : rot -162:sc= 0.561! USER MOD Single : 1 77 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0065) USER MOD Single : 1 81 GLN : amide:sc= -0.245 K(o=-0.25,f=-3.2!) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 84 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=-0.055) USER MOD Single : 1 88 SER OG : rot 180:sc= 0 USER MOD Single : 1 89 LYS NZ :NH3+ -117:sc= 1.25 (180deg=-0.416) USER MOD Single : 1 90 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 107 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 109 THR OG1 : rot 180:sc= 0.00229 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 21.298 -14.878 23.462 1.00 0.00 N ATOM 2 CA MET 1 -3 20.881 -13.626 22.776 1.00 0.00 C ATOM 3 C MET 1 -3 20.001 -12.759 23.679 1.00 0.00 C ATOM 4 O MET 1 -3 20.115 -11.529 23.662 1.00 0.00 O ATOM 5 CB MET 1 -3 20.138 -13.955 21.477 1.00 0.00 C ATOM 6 CG MET 1 -3 21.064 -14.298 20.319 1.00 0.00 C ATOM 7 SD MET 1 -3 20.183 -14.539 18.763 1.00 0.00 S ATOM 8 CE MET 1 -3 19.688 -16.255 18.905 1.00 0.00 C ATOM 0 H1 MET 1 -3 21.999 -15.377 22.878 1.00 0.00 H new ATOM 0 H2 MET 1 -3 21.718 -14.645 24.384 1.00 0.00 H new ATOM 0 H3 MET 1 -3 20.468 -15.489 23.604 1.00 0.00 H new ATOM 0 HA MET 1 -3 21.782 -13.060 22.541 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 19.465 -14.794 21.655 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 19.518 -13.103 21.196 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 21.796 -13.499 20.197 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 21.619 -15.204 20.561 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 19.132 -16.548 18.014 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 20.574 -16.882 19.003 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 19.056 -16.380 19.784 1.00 0.00 H new ATOM 20 N HIS 1 -2 19.127 -13.406 24.460 1.00 0.00 N ATOM 21 CA HIS 1 -2 18.227 -12.703 25.376 1.00 0.00 C ATOM 22 C HIS 1 -2 18.290 -13.300 26.777 1.00 0.00 C ATOM 23 O HIS 1 -2 18.373 -14.521 26.937 1.00 0.00 O ATOM 24 CB HIS 1 -2 16.788 -12.753 24.857 1.00 0.00 C ATOM 25 CG HIS 1 -2 16.503 -11.755 23.778 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 16.979 -11.880 22.490 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 15.787 -10.605 23.801 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 16.568 -10.852 21.768 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 15.842 -10.066 22.541 1.00 0.00 N ATOM 0 H HIS 1 -2 19.026 -14.421 24.474 1.00 0.00 H new ATOM 0 HA HIS 1 -2 18.553 -11.664 25.428 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 16.582 -13.754 24.478 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 16.105 -12.581 25.689 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 15.269 -10.190 24.653 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 16.788 -10.684 20.724 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 15.394 -9.198 22.248 1.00 0.00 H new ATOM 38 N HIS 1 -1 18.250 -12.422 27.785 1.00 0.00 N ATOM 39 CA HIS 1 -1 18.297 -12.836 29.191 1.00 0.00 C ATOM 40 C HIS 1 -1 17.122 -12.245 29.980 1.00 0.00 C ATOM 41 O HIS 1 -1 16.479 -12.951 30.762 1.00 0.00 O ATOM 42 CB HIS 1 -1 19.644 -12.451 29.838 1.00 0.00 C ATOM 43 CG HIS 1 -1 20.082 -11.031 29.599 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 20.018 -10.049 30.565 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 20.600 -10.437 28.496 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 20.475 -8.913 30.067 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 20.834 -9.123 28.815 1.00 0.00 N ATOM 0 H HIS 1 -1 18.185 -11.413 27.651 1.00 0.00 H new ATOM 0 HA HIS 1 -1 18.208 -13.922 29.221 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 19.574 -12.618 30.913 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 20.416 -13.122 29.461 1.00 0.00 H new ATOM 0 HD1 HIS 1 -1 19.672 -10.179 31.516 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 20.793 -10.910 27.544 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 20.543 -7.973 30.595 1.00 0.00 H new ATOM 56 N HIS 1 0 16.856 -10.950 29.764 1.00 0.00 N ATOM 57 CA HIS 1 0 15.756 -10.254 30.435 1.00 0.00 C ATOM 58 C HIS 1 0 14.586 -10.037 29.476 1.00 0.00 C ATOM 59 O HIS 1 0 14.772 -10.010 28.255 1.00 0.00 O ATOM 60 CB HIS 1 0 16.236 -8.912 30.998 1.00 0.00 C ATOM 61 CG HIS 1 0 16.885 -9.020 32.345 1.00 0.00 C ATOM 62 ND1 HIS 1 0 18.247 -8.929 32.536 1.00 0.00 N ATOM 63 CD2 HIS 1 0 16.347 -9.204 33.576 1.00 0.00 C ATOM 64 CE1 HIS 1 0 18.520 -9.055 33.823 1.00 0.00 C ATOM 65 NE2 HIS 1 0 17.385 -9.222 34.475 1.00 0.00 N ATOM 0 H HIS 1 0 17.392 -10.363 29.126 1.00 0.00 H new ATOM 0 HA HIS 1 0 15.413 -10.877 31.261 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 16.944 -8.467 30.298 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 15.386 -8.233 31.067 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 15.298 -9.316 33.806 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 19.505 -9.026 34.266 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 17.293 -9.345 35.483 1.00 0.00 H new ATOM 74 N HIS 1 1 13.381 -9.879 30.042 1.00 0.00 N ATOM 75 CA HIS 1 1 12.161 -9.669 29.253 1.00 0.00 C ATOM 76 C HIS 1 1 11.914 -8.187 28.953 1.00 0.00 C ATOM 77 O HIS 1 1 11.466 -7.842 27.855 1.00 0.00 O ATOM 78 CB HIS 1 1 10.954 -10.260 29.982 1.00 0.00 C ATOM 79 CG HIS 1 1 10.769 -11.727 29.742 1.00 0.00 C ATOM 80 ND1 HIS 1 1 11.469 -12.699 30.426 1.00 0.00 N ATOM 81 CD2 HIS 1 1 9.954 -12.387 28.883 1.00 0.00 C ATOM 82 CE1 HIS 1 1 11.094 -13.893 29.998 1.00 0.00 C ATOM 83 NE2 HIS 1 1 10.176 -13.730 29.063 1.00 0.00 N ATOM 0 H HIS 1 1 13.226 -9.893 31.050 1.00 0.00 H new ATOM 0 HA HIS 1 1 12.300 -10.179 28.300 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 11.066 -10.086 31.052 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 10.054 -9.732 29.666 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 9.260 -11.940 28.187 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 11.474 -14.840 30.353 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 9.707 -14.481 28.556 1.00 0.00 H new ATOM 92 N HIS 1 2 12.210 -7.319 29.929 1.00 0.00 N ATOM 93 CA HIS 1 2 12.018 -5.873 29.775 1.00 0.00 C ATOM 94 C HIS 1 2 13.299 -5.192 29.292 1.00 0.00 C ATOM 95 O HIS 1 2 14.395 -5.515 29.759 1.00 0.00 O ATOM 96 CB HIS 1 2 11.557 -5.249 31.095 1.00 0.00 C ATOM 97 CG HIS 1 2 10.150 -5.608 31.471 1.00 0.00 C ATOM 98 ND1 HIS 1 2 9.844 -6.551 32.432 1.00 0.00 N ATOM 99 CD2 HIS 1 2 8.964 -5.144 31.012 1.00 0.00 C ATOM 100 CE1 HIS 1 2 8.530 -6.651 32.544 1.00 0.00 C ATOM 101 NE2 HIS 1 2 7.975 -5.808 31.695 1.00 0.00 N ATOM 0 H HIS 1 2 12.585 -7.595 30.837 1.00 0.00 H new ATOM 0 HA HIS 1 2 11.246 -5.719 29.021 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 12.229 -5.567 31.892 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 11.639 -4.165 31.023 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 8.822 -4.392 30.250 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 8.001 -7.311 33.216 1.00 0.00 H new ATOM 0 HE2 HIS 1 2 6.972 -5.671 31.566 1.00 0.00 H new ATOM 110 N HIS 1 3 13.141 -4.251 28.354 1.00 0.00 N ATOM 111 CA HIS 1 3 14.272 -3.514 27.784 1.00 0.00 C ATOM 112 C HIS 1 3 14.204 -2.032 28.146 1.00 0.00 C ATOM 113 O HIS 1 3 13.135 -1.420 28.079 1.00 0.00 O ATOM 114 CB HIS 1 3 14.296 -3.672 26.259 1.00 0.00 C ATOM 115 CG HIS 1 3 14.636 -5.058 25.799 1.00 0.00 C ATOM 116 ND1 HIS 1 3 13.687 -6.040 25.602 1.00 0.00 N ATOM 117 CD2 HIS 1 3 15.827 -5.622 25.490 1.00 0.00 C ATOM 118 CE1 HIS 1 3 14.280 -7.147 25.193 1.00 0.00 C ATOM 119 NE2 HIS 1 3 15.578 -6.919 25.117 1.00 0.00 N ATOM 0 H HIS 1 3 12.234 -3.982 27.972 1.00 0.00 H new ATOM 0 HA HIS 1 3 15.187 -3.931 28.205 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 13.320 -3.396 25.859 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 15.021 -2.973 25.842 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 16.793 -5.141 25.530 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 13.787 -8.079 24.960 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 16.282 -7.598 24.828 1.00 0.00 H new ATOM 128 N SER 1 4 15.359 -1.468 28.519 1.00 0.00 N ATOM 129 CA SER 1 4 15.458 -0.056 28.899 1.00 0.00 C ATOM 130 C SER 1 4 16.031 0.783 27.757 1.00 0.00 C ATOM 131 O SER 1 4 17.103 0.473 27.226 1.00 0.00 O ATOM 132 CB SER 1 4 16.332 0.095 30.145 1.00 0.00 C ATOM 133 OG SER 1 4 15.776 -0.601 31.247 1.00 0.00 O ATOM 0 H SER 1 4 16.244 -1.974 28.565 1.00 0.00 H new ATOM 0 HA SER 1 4 14.453 0.305 29.118 1.00 0.00 H new ATOM 0 HB2 SER 1 4 17.333 -0.285 29.939 1.00 0.00 H new ATOM 0 HB3 SER 1 4 16.437 1.151 30.394 1.00 0.00 H new ATOM 0 HG SER 1 4 16.355 -0.490 32.030 1.00 0.00 H new ATOM 139 N THR 1 5 15.303 1.840 27.381 1.00 0.00 N ATOM 140 CA THR 1 5 15.725 2.742 26.304 1.00 0.00 C ATOM 141 C THR 1 5 16.219 4.084 26.863 1.00 0.00 C ATOM 142 O THR 1 5 15.610 4.643 27.779 1.00 0.00 O ATOM 143 CB THR 1 5 14.593 2.964 25.251 1.00 0.00 C ATOM 144 OG1 THR 1 5 15.028 3.879 24.234 1.00 0.00 O ATOM 145 CG2 THR 1 5 13.294 3.486 25.878 1.00 0.00 C ATOM 0 H THR 1 5 14.413 2.093 27.810 1.00 0.00 H new ATOM 0 HA THR 1 5 16.557 2.258 25.793 1.00 0.00 H new ATOM 0 HB THR 1 5 14.382 1.988 24.814 1.00 0.00 H new ATOM 0 HG1 THR 1 5 14.309 4.007 23.580 1.00 0.00 H new ATOM 0 HG21 THR 1 5 12.543 3.622 25.100 1.00 0.00 H new ATOM 0 HG22 THR 1 5 12.930 2.767 26.612 1.00 0.00 H new ATOM 0 HG23 THR 1 5 13.485 4.441 26.368 1.00 0.00 H new ATOM 153 N SER 1 6 17.322 4.586 26.293 1.00 0.00 N ATOM 154 CA SER 1 6 17.919 5.860 26.714 1.00 0.00 C ATOM 155 C SER 1 6 17.301 7.044 25.960 1.00 0.00 C ATOM 156 O SER 1 6 16.724 6.868 24.881 1.00 0.00 O ATOM 157 CB SER 1 6 19.436 5.829 26.497 1.00 0.00 C ATOM 158 OG SER 1 6 19.757 5.494 25.158 1.00 0.00 O ATOM 0 H SER 1 6 17.822 4.125 25.533 1.00 0.00 H new ATOM 0 HA SER 1 6 17.711 5.994 27.776 1.00 0.00 H new ATOM 0 HB2 SER 1 6 19.861 6.802 26.743 1.00 0.00 H new ATOM 0 HB3 SER 1 6 19.888 5.104 27.174 1.00 0.00 H new ATOM 0 HG SER 1 6 19.383 6.169 24.553 1.00 0.00 H new ATOM 164 N VAL 1 7 17.426 8.242 26.541 1.00 0.00 N ATOM 165 CA VAL 1 7 16.883 9.469 25.942 1.00 0.00 C ATOM 166 C VAL 1 7 17.979 10.243 25.180 1.00 0.00 C ATOM 167 O VAL 1 7 17.668 11.146 24.397 1.00 0.00 O ATOM 168 CB VAL 1 7 16.234 10.401 27.016 1.00 0.00 C ATOM 169 CG1 VAL 1 7 15.380 11.493 26.372 1.00 0.00 C ATOM 170 CG2 VAL 1 7 15.387 9.606 28.008 1.00 0.00 C ATOM 0 H VAL 1 7 17.901 8.390 27.431 1.00 0.00 H new ATOM 0 HA VAL 1 7 16.107 9.162 25.241 1.00 0.00 H new ATOM 0 HB VAL 1 7 17.055 10.874 27.556 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 14.945 12.121 27.150 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 16.003 12.104 25.718 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 14.582 11.034 25.788 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 14.951 10.285 28.740 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 14.590 9.089 27.473 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 16.015 8.876 28.519 1.00 0.00 H new ATOM 180 N ASP 1 8 19.248 9.880 25.410 1.00 0.00 N ATOM 181 CA ASP 1 8 20.380 10.540 24.752 1.00 0.00 C ATOM 182 C ASP 1 8 20.867 9.731 23.545 1.00 0.00 C ATOM 183 O ASP 1 8 21.005 10.276 22.446 1.00 0.00 O ATOM 184 CB ASP 1 8 21.530 10.758 25.745 1.00 0.00 C ATOM 185 CG ASP 1 8 21.224 11.841 26.763 1.00 0.00 C ATOM 186 OD1 ASP 1 8 21.573 13.013 26.506 1.00 0.00 O ATOM 187 OD2 ASP 1 8 20.636 11.518 27.815 1.00 0.00 O ATOM 0 H ASP 1 8 19.515 9.131 26.049 1.00 0.00 H new ATOM 0 HA ASP 1 8 20.037 11.511 24.394 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 21.738 9.823 26.266 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 22.433 11.025 25.196 1.00 0.00 H new ATOM 192 N LEU 1 9 21.116 8.430 23.760 1.00 0.00 N ATOM 193 CA LEU 1 9 21.589 7.531 22.701 1.00 0.00 C ATOM 194 C LEU 1 9 20.413 6.874 21.978 1.00 0.00 C ATOM 195 O LEU 1 9 19.529 6.300 22.621 1.00 0.00 O ATOM 196 CB LEU 1 9 22.513 6.437 23.289 1.00 0.00 C ATOM 197 CG LEU 1 9 23.967 6.835 23.670 1.00 0.00 C ATOM 198 CD1 LEU 1 9 24.766 7.308 22.456 1.00 0.00 C ATOM 199 CD2 LEU 1 9 23.999 7.889 24.776 1.00 0.00 C ATOM 0 H LEU 1 9 20.996 7.976 24.666 1.00 0.00 H new ATOM 0 HA LEU 1 9 22.153 8.128 21.984 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 22.031 6.038 24.182 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 22.568 5.623 22.566 1.00 0.00 H new ATOM 0 HG LEU 1 9 24.442 5.932 24.053 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 25.776 7.576 22.767 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 24.814 6.508 21.718 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 24.279 8.178 22.016 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 25.034 8.138 25.011 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 23.477 8.785 24.440 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 23.509 7.497 25.667 1.00 0.00 H new ATOM 211 N GLY 1 10 20.410 6.971 20.646 1.00 0.00 N ATOM 212 CA GLY 1 10 19.341 6.380 19.855 1.00 0.00 C ATOM 213 C GLY 1 10 19.725 6.172 18.401 1.00 0.00 C ATOM 214 O GLY 1 10 19.224 6.874 17.519 1.00 0.00 O ATOM 0 H GLY 1 10 21.129 7.448 20.103 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 19.060 5.422 20.292 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 18.462 7.022 19.905 1.00 0.00 H new ATOM 218 N THR 1 11 20.619 5.203 18.156 1.00 0.00 N ATOM 219 CA THR 1 11 21.084 4.885 16.796 1.00 0.00 C ATOM 220 C THR 1 11 21.491 3.406 16.666 1.00 0.00 C ATOM 221 O THR 1 11 21.405 2.829 15.578 1.00 0.00 O ATOM 222 CB THR 1 11 22.261 5.813 16.343 1.00 0.00 C ATOM 223 OG1 THR 1 11 22.720 5.440 15.035 1.00 0.00 O ATOM 224 CG2 THR 1 11 23.444 5.792 17.318 1.00 0.00 C ATOM 0 H THR 1 11 21.036 4.623 18.884 1.00 0.00 H new ATOM 0 HA THR 1 11 20.239 5.068 16.132 1.00 0.00 H new ATOM 0 HB THR 1 11 21.863 6.828 16.327 1.00 0.00 H new ATOM 0 HG1 THR 1 11 23.455 6.030 14.765 1.00 0.00 H new ATOM 0 HG21 THR 1 11 24.229 6.454 16.952 1.00 0.00 H new ATOM 0 HG22 THR 1 11 23.113 6.131 18.300 1.00 0.00 H new ATOM 0 HG23 THR 1 11 23.833 4.777 17.397 1.00 0.00 H new ATOM 232 N GLU 1 12 21.929 2.811 17.783 1.00 0.00 N ATOM 233 CA GLU 1 12 22.365 1.415 17.809 1.00 0.00 C ATOM 234 C GLU 1 12 21.225 0.486 18.246 1.00 0.00 C ATOM 235 O GLU 1 12 20.719 -0.312 17.451 1.00 0.00 O ATOM 236 CB GLU 1 12 23.592 1.281 18.733 1.00 0.00 C ATOM 237 CG GLU 1 12 24.388 -0.002 18.540 1.00 0.00 C ATOM 238 CD GLU 1 12 25.646 -0.040 19.384 1.00 0.00 C ATOM 239 OE1 GLU 1 12 25.547 -0.376 20.582 1.00 0.00 O ATOM 240 OE2 GLU 1 12 26.731 0.267 18.846 1.00 0.00 O ATOM 0 H GLU 1 12 21.990 3.282 18.686 1.00 0.00 H new ATOM 0 HA GLU 1 12 22.650 1.111 16.802 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 24.252 2.132 18.566 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 23.259 1.335 19.769 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 23.760 -0.856 18.792 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 24.657 -0.104 17.489 1.00 0.00 H new ATOM 247 N ASN 1 13 20.856 0.599 19.515 1.00 0.00 N ATOM 248 CA ASN 1 13 19.792 -0.202 20.123 1.00 0.00 C ATOM 249 C ASN 1 13 18.384 0.328 19.783 1.00 0.00 C ATOM 250 O ASN 1 13 17.380 -0.296 20.142 1.00 0.00 O ATOM 251 CB ASN 1 13 20.003 -0.218 21.640 1.00 0.00 C ATOM 252 CG ASN 1 13 19.445 -1.423 22.322 1.00 0.00 C ATOM 253 OD1 ASN 1 13 20.183 -1.865 23.311 1.00 0.00 O flip ATOM 254 ND2 ASN 1 13 18.385 -1.948 21.973 1.00 0.00 N flip ATOM 0 H ASN 1 13 21.290 1.257 20.163 1.00 0.00 H new ATOM 0 HA ASN 1 13 19.847 -1.212 19.716 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 21.071 -0.159 21.848 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 19.545 0.673 22.069 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 17.854 -1.557 21.194 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 18.039 -2.773 22.463 1.00 0.00 H new ATOM 261 N LEU 1 14 18.324 1.473 19.085 1.00 0.00 N ATOM 262 CA LEU 1 14 17.052 2.103 18.709 1.00 0.00 C ATOM 263 C LEU 1 14 16.477 1.511 17.419 1.00 0.00 C ATOM 264 O LEU 1 14 17.220 1.044 16.551 1.00 0.00 O ATOM 265 CB LEU 1 14 17.248 3.614 18.540 1.00 0.00 C ATOM 266 CG LEU 1 14 16.004 4.482 18.782 1.00 0.00 C ATOM 267 CD1 LEU 1 14 15.844 4.805 20.264 1.00 0.00 C ATOM 268 CD2 LEU 1 14 16.085 5.761 17.963 1.00 0.00 C ATOM 0 H LEU 1 14 19.149 1.983 18.769 1.00 0.00 H new ATOM 0 HA LEU 1 14 16.340 1.907 19.511 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 18.032 3.938 19.224 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 17.609 3.803 17.529 1.00 0.00 H new ATOM 0 HG LEU 1 14 15.127 3.918 18.463 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 14.956 5.420 20.408 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 15.739 3.879 20.829 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 16.722 5.347 20.615 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 15.197 6.366 18.145 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 16.973 6.323 18.253 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 16.144 5.512 16.904 1.00 0.00 H new ATOM 280 N TYR 1 15 15.143 1.564 17.309 1.00 0.00 N ATOM 281 CA TYR 1 15 14.416 1.052 16.143 1.00 0.00 C ATOM 282 C TYR 1 15 14.264 2.146 15.088 1.00 0.00 C ATOM 283 O TYR 1 15 14.027 3.309 15.430 1.00 0.00 O ATOM 284 CB TYR 1 15 13.036 0.536 16.562 1.00 0.00 C ATOM 285 CG TYR 1 15 13.083 -0.786 17.294 1.00 0.00 C ATOM 286 CD1 TYR 1 15 12.923 -1.984 16.609 1.00 0.00 C ATOM 287 CD2 TYR 1 15 13.298 -0.839 18.667 1.00 0.00 C ATOM 288 CE1 TYR 1 15 12.978 -3.196 17.270 1.00 0.00 C ATOM 289 CE2 TYR 1 15 13.353 -2.048 19.334 1.00 0.00 C ATOM 290 CZ TYR 1 15 13.192 -3.222 18.631 1.00 0.00 C ATOM 291 OH TYR 1 15 13.248 -4.428 19.293 1.00 0.00 O ATOM 0 H TYR 1 15 14.538 1.963 18.027 1.00 0.00 H new ATOM 0 HA TYR 1 15 14.987 0.228 15.715 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 12.558 1.279 17.200 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 12.412 0.429 15.675 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 12.753 -1.968 15.543 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 13.424 0.080 19.221 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 12.854 -4.119 16.723 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 13.521 -2.073 20.401 1.00 0.00 H new ATOM 0 HH TYR 1 15 13.406 -4.270 20.247 1.00 0.00 H new ATOM 301 N PHE 1 16 14.404 1.768 13.816 1.00 0.00 N ATOM 302 CA PHE 1 16 14.300 2.707 12.710 1.00 0.00 C ATOM 303 C PHE 1 16 13.066 2.426 11.844 1.00 0.00 C ATOM 304 O PHE 1 16 12.328 3.351 11.499 1.00 0.00 O ATOM 305 CB PHE 1 16 15.580 2.659 11.865 1.00 0.00 C ATOM 306 CG PHE 1 16 15.890 3.951 11.162 1.00 0.00 C ATOM 307 CD1 PHE 1 16 16.684 4.912 11.768 1.00 0.00 C ATOM 308 CD2 PHE 1 16 15.375 4.212 9.902 1.00 0.00 C ATOM 309 CE1 PHE 1 16 16.958 6.107 11.131 1.00 0.00 C ATOM 310 CE2 PHE 1 16 15.648 5.404 9.258 1.00 0.00 C ATOM 311 CZ PHE 1 16 16.440 6.353 9.874 1.00 0.00 C ATOM 0 H PHE 1 16 14.591 0.807 13.530 1.00 0.00 H new ATOM 0 HA PHE 1 16 14.182 3.709 13.123 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 16.420 2.395 12.508 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 15.485 1.866 11.123 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 17.093 4.724 12.750 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 14.752 3.475 9.417 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 17.577 6.848 11.615 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 15.243 5.593 8.275 1.00 0.00 H new ATOM 0 HZ PHE 1 16 16.654 7.286 9.374 1.00 0.00 H new ATOM 321 N GLN 1 17 12.835 1.142 11.526 1.00 0.00 N ATOM 322 CA GLN 1 17 11.697 0.729 10.687 1.00 0.00 C ATOM 323 C GLN 1 17 10.423 0.551 11.516 1.00 0.00 C ATOM 324 O GLN 1 17 10.437 -0.123 12.551 1.00 0.00 O ATOM 325 CB GLN 1 17 12.020 -0.575 9.953 1.00 0.00 C ATOM 326 CG GLN 1 17 13.017 -0.410 8.814 1.00 0.00 C ATOM 327 CD GLN 1 17 13.263 -1.704 8.064 1.00 0.00 C ATOM 328 OE1 GLN 1 17 12.575 -2.012 7.091 1.00 0.00 O ATOM 329 NE2 GLN 1 17 14.249 -2.471 8.515 1.00 0.00 N ATOM 0 H GLN 1 17 13.423 0.369 11.838 1.00 0.00 H new ATOM 0 HA GLN 1 17 11.523 1.521 9.959 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 12.417 -1.295 10.669 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 11.096 -0.996 9.556 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 12.648 0.344 8.119 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 13.961 -0.040 9.213 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 14.794 -2.177 9.325 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 14.461 -3.354 8.051 1.00 0.00 H new ATOM 338 N SER 1 18 9.329 1.167 11.048 1.00 0.00 N ATOM 339 CA SER 1 18 8.029 1.090 11.725 1.00 0.00 C ATOM 340 C SER 1 18 6.884 0.962 10.714 1.00 0.00 C ATOM 341 O SER 1 18 5.952 0.181 10.923 1.00 0.00 O ATOM 342 CB SER 1 18 7.808 2.323 12.610 1.00 0.00 C ATOM 343 OG SER 1 18 8.817 2.430 13.598 1.00 0.00 O ATOM 0 H SER 1 18 9.320 1.728 10.196 1.00 0.00 H new ATOM 0 HA SER 1 18 8.035 0.199 12.352 1.00 0.00 H new ATOM 0 HB2 SER 1 18 7.803 3.221 11.993 1.00 0.00 H new ATOM 0 HB3 SER 1 18 6.831 2.260 13.089 1.00 0.00 H new ATOM 0 HG SER 1 18 8.654 3.225 14.148 1.00 0.00 H new ATOM 349 N ASN 1 19 6.970 1.732 9.621 1.00 0.00 N ATOM 350 CA ASN 1 19 5.946 1.722 8.570 1.00 0.00 C ATOM 351 C ASN 1 19 6.453 1.046 7.291 1.00 0.00 C ATOM 352 O ASN 1 19 5.656 0.514 6.512 1.00 0.00 O ATOM 353 CB ASN 1 19 5.489 3.152 8.258 1.00 0.00 C ATOM 354 CG ASN 1 19 4.640 3.758 9.333 1.00 0.00 C ATOM 355 OD1 ASN 1 19 4.805 3.500 10.528 1.00 0.00 O ATOM 356 ND2 ASN 1 19 3.716 4.580 8.892 1.00 0.00 N ATOM 0 H ASN 1 19 7.743 2.373 9.442 1.00 0.00 H new ATOM 0 HA ASN 1 19 5.100 1.145 8.943 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 6.367 3.779 8.103 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 4.929 3.150 7.323 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 3.089 5.043 9.550 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 3.625 4.756 7.891 1.00 0.00 H new ATOM 363 N ALA 1 20 7.781 1.061 7.092 1.00 0.00 N ATOM 364 CA ALA 1 20 8.418 0.459 5.911 1.00 0.00 C ATOM 365 C ALA 1 20 8.412 -1.071 5.978 1.00 0.00 C ATOM 366 O ALA 1 20 8.477 -1.648 7.068 1.00 0.00 O ATOM 367 CB ALA 1 20 9.844 0.972 5.773 1.00 0.00 C ATOM 0 H ALA 1 20 8.440 1.489 7.742 1.00 0.00 H new ATOM 0 HA ALA 1 20 7.839 0.752 5.035 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 10.309 0.522 4.896 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 9.831 2.056 5.661 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 10.414 0.706 6.663 1.00 0.00 H new ATOM 373 N GLY 1 21 8.325 -1.709 4.806 1.00 0.00 N ATOM 374 CA GLY 1 21 8.304 -3.165 4.733 1.00 0.00 C ATOM 375 C GLY 1 21 7.088 -3.713 4.005 1.00 0.00 C ATOM 376 O GLY 1 21 6.998 -4.923 3.772 1.00 0.00 O ATOM 0 H GLY 1 21 8.269 -1.239 3.902 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 9.207 -3.510 4.228 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 8.328 -3.573 5.744 1.00 0.00 H new ATOM 380 N LYS 1 22 6.147 -2.824 3.655 1.00 0.00 N ATOM 381 CA LYS 1 22 4.927 -3.204 2.943 1.00 0.00 C ATOM 382 C LYS 1 22 5.149 -3.330 1.444 1.00 0.00 C ATOM 383 O LYS 1 22 6.060 -2.717 0.879 1.00 0.00 O ATOM 384 CB LYS 1 22 3.837 -2.168 3.185 1.00 0.00 C ATOM 385 CG LYS 1 22 3.001 -2.438 4.414 1.00 0.00 C ATOM 386 CD LYS 1 22 2.492 -1.137 5.005 1.00 0.00 C ATOM 387 CE LYS 1 22 1.626 -1.367 6.235 1.00 0.00 C ATOM 388 NZ LYS 1 22 1.144 -0.084 6.821 1.00 0.00 N ATOM 0 H LYS 1 22 6.213 -1.827 3.858 1.00 0.00 H new ATOM 0 HA LYS 1 22 4.627 -4.178 3.330 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 4.298 -1.185 3.279 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 3.184 -2.131 2.313 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 2.160 -3.081 4.155 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 3.595 -2.973 5.155 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 3.339 -0.505 5.272 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 1.916 -0.598 4.252 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 0.771 -1.988 5.967 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 2.197 -1.917 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 0.558 -0.283 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 1.959 0.498 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 0.578 0.429 6.115 1.00 0.00 H new ATOM 402 N MET 1 23 4.290 -4.133 0.824 1.00 0.00 N ATOM 403 CA MET 1 23 4.298 -4.363 -0.586 1.00 0.00 C ATOM 404 C MET 1 23 2.982 -3.881 -1.180 1.00 0.00 C ATOM 405 O MET 1 23 1.952 -3.838 -0.505 1.00 0.00 O ATOM 406 CB MET 1 23 4.513 -5.844 -0.872 1.00 0.00 C ATOM 407 CG MET 1 23 5.974 -6.221 -1.087 1.00 0.00 C ATOM 408 SD MET 1 23 6.172 -7.715 -2.074 1.00 0.00 S ATOM 409 CE MET 1 23 6.549 -7.010 -3.676 1.00 0.00 C ATOM 0 H MET 1 23 3.558 -4.646 1.315 1.00 0.00 H new ATOM 0 HA MET 1 23 5.116 -3.808 -1.045 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.115 -6.427 -0.041 1.00 0.00 H new ATOM 0 HB3 MET 1 23 3.941 -6.121 -1.758 1.00 0.00 H new ATOM 0 HG2 MET 1 23 6.489 -5.396 -1.579 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.454 -6.365 -0.119 1.00 0.00 H new ATOM 0 HE1 MET 1 23 6.438 -7.774 -4.445 1.00 0.00 H new ATOM 0 HE2 MET 1 23 5.865 -6.186 -3.881 1.00 0.00 H new ATOM 0 HE3 MET 1 23 7.574 -6.640 -3.678 1.00 0.00 H new ATOM 419 N PHE 1 24 3.068 -3.494 -2.432 1.00 0.00 N ATOM 420 CA PHE 1 24 1.949 -2.977 -3.217 1.00 0.00 C ATOM 421 C PHE 1 24 1.685 -3.930 -4.397 1.00 0.00 C ATOM 422 O PHE 1 24 2.492 -4.022 -5.330 1.00 0.00 O ATOM 423 CB PHE 1 24 2.296 -1.552 -3.713 1.00 0.00 C ATOM 424 CG PHE 1 24 1.236 -0.811 -4.525 1.00 0.00 C ATOM 425 CD1 PHE 1 24 1.607 0.293 -5.276 1.00 0.00 C ATOM 426 CD2 PHE 1 24 -0.105 -1.194 -4.539 1.00 0.00 C ATOM 427 CE1 PHE 1 24 0.679 0.994 -6.020 1.00 0.00 C ATOM 428 CE2 PHE 1 24 -1.033 -0.495 -5.281 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.642 0.600 -6.023 1.00 0.00 C ATOM 0 H PHE 1 24 3.942 -3.528 -2.957 1.00 0.00 H new ATOM 0 HA PHE 1 24 1.045 -2.919 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.540 -0.943 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.199 -1.617 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 2.639 0.610 -5.279 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 -0.421 -2.050 -3.961 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 0.988 1.851 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 -2.068 -0.805 -5.281 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.369 1.147 -6.605 1.00 0.00 H new ATOM 439 N ILE 1 25 0.561 -4.639 -4.330 1.00 0.00 N ATOM 440 CA ILE 1 25 0.150 -5.587 -5.341 1.00 0.00 C ATOM 441 C ILE 1 25 -0.796 -4.916 -6.328 1.00 0.00 C ATOM 442 O ILE 1 25 -1.820 -4.350 -5.936 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.553 -6.800 -4.701 1.00 0.00 C ATOM 444 CG1 ILE 1 25 -0.056 -7.056 -3.248 1.00 0.00 C ATOM 445 CG2 ILE 1 25 -0.419 -8.050 -5.580 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.395 -7.516 -3.100 1.00 0.00 C ATOM 0 H ILE 1 25 -0.096 -4.563 -3.554 1.00 0.00 H new ATOM 0 HA ILE 1 25 1.040 -5.934 -5.865 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.615 -6.563 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 -0.184 -6.137 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.701 -7.807 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.925 -8.888 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.872 -7.861 -6.553 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 0.636 -8.291 -5.712 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 1.625 -7.661 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 1.535 -8.456 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.061 -6.759 -3.515 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.425 -4.976 -7.595 1.00 0.00 N ATOM 459 CA GLY 1 26 -1.216 -4.378 -8.643 1.00 0.00 C ATOM 460 C GLY 1 26 -1.748 -5.352 -9.663 1.00 0.00 C ATOM 461 O GLY 1 26 -1.261 -6.471 -9.780 1.00 0.00 O ATOM 0 H GLY 1 26 0.425 -5.437 -7.919 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -2.056 -3.852 -8.190 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.610 -3.631 -9.155 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.806 -4.914 -10.353 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.428 -5.692 -11.423 1.00 0.00 C ATOM 467 C GLY 1 27 -4.200 -6.923 -10.973 1.00 0.00 C ATOM 468 O GLY 1 27 -4.424 -7.823 -11.788 1.00 0.00 O ATOM 0 H GLY 1 27 -3.252 -4.013 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -4.106 -5.041 -11.975 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.650 -6.006 -12.119 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.632 -6.965 -9.697 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.383 -8.102 -9.151 1.00 0.00 C ATOM 474 C LEU 1 28 -6.646 -8.374 -9.991 1.00 0.00 C ATOM 475 O LEU 1 28 -7.049 -7.529 -10.800 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.781 -7.836 -7.684 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.641 -7.474 -6.719 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -5.202 -6.783 -5.487 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.861 -8.717 -6.305 1.00 0.00 C ATOM 0 H LEU 1 28 -4.469 -6.216 -9.024 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.738 -8.980 -9.189 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.510 -7.026 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.284 -8.724 -7.300 1.00 0.00 H new ATOM 0 HG LEU 1 28 -3.960 -6.797 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.387 -6.530 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.721 -5.872 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.900 -7.450 -4.982 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -3.060 -8.433 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.531 -9.418 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.433 -9.190 -7.189 1.00 0.00 H new ATOM 491 N SER 1 29 -7.282 -9.525 -9.773 1.00 0.00 N ATOM 492 CA SER 1 29 -8.450 -9.915 -10.517 1.00 0.00 C ATOM 493 C SER 1 29 -9.718 -9.601 -9.728 1.00 0.00 C ATOM 494 O SER 1 29 -9.672 -9.202 -8.559 1.00 0.00 O ATOM 495 CB SER 1 29 -8.359 -11.410 -10.845 1.00 0.00 C ATOM 496 OG SER 1 29 -9.250 -11.763 -11.885 1.00 0.00 O ATOM 0 H SER 1 29 -6.991 -10.205 -9.071 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.496 -9.350 -11.448 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.339 -11.659 -11.137 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.587 -11.995 -9.954 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.363 -11.002 -12.492 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.839 -9.821 -10.392 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.178 -9.591 -9.863 1.00 0.00 C ATOM 504 C TRP 1 30 -12.545 -10.633 -8.795 1.00 0.00 C ATOM 505 O TRP 1 30 -13.484 -10.446 -8.015 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.179 -9.657 -11.035 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.245 -10.999 -11.743 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.188 -11.722 -12.218 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.418 -11.771 -12.053 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -12.619 -12.892 -12.770 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -13.979 -12.944 -12.696 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -15.792 -11.593 -11.850 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -14.851 -13.929 -13.133 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.662 -12.576 -12.290 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.188 -13.731 -12.926 1.00 0.00 C ATOM 0 H TRP 1 30 -10.846 -10.177 -11.348 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.212 -8.611 -9.386 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.172 -9.411 -10.660 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -12.915 -8.891 -11.764 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.155 -11.411 -12.164 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -12.020 -13.612 -13.173 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.166 -10.706 -11.360 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -14.487 -14.822 -13.620 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -17.724 -12.450 -12.140 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -16.892 -14.479 -13.259 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.777 -11.723 -8.795 1.00 0.00 N ATOM 527 CA GLN 1 31 -11.972 -12.840 -7.884 1.00 0.00 C ATOM 528 C GLN 1 31 -11.025 -12.777 -6.695 1.00 0.00 C ATOM 529 O GLN 1 31 -11.316 -13.324 -5.628 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.733 -14.137 -8.650 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.803 -14.450 -9.685 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.613 -15.811 -10.318 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -11.991 -15.941 -11.373 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -13.141 -16.835 -9.665 1.00 0.00 N ATOM 0 H GLN 1 31 -10.995 -11.852 -9.437 1.00 0.00 H new ATOM 0 HA GLN 1 31 -12.990 -12.794 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.765 -14.080 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.677 -14.962 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.785 -14.406 -9.213 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.788 -13.686 -10.462 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.648 -16.678 -8.794 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -13.041 -17.781 -10.033 1.00 0.00 H new ATOM 543 N THR 1 32 -9.898 -12.094 -6.892 1.00 0.00 N ATOM 544 CA THR 1 32 -8.868 -11.948 -5.867 1.00 0.00 C ATOM 545 C THR 1 32 -9.307 -11.045 -4.696 1.00 0.00 C ATOM 546 O THR 1 32 -9.525 -9.839 -4.859 1.00 0.00 O ATOM 547 CB THR 1 32 -7.579 -11.406 -6.492 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.471 -11.839 -7.854 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.344 -11.863 -5.720 1.00 0.00 C ATOM 0 H THR 1 32 -9.674 -11.625 -7.770 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.693 -12.941 -5.452 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.628 -10.318 -6.450 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.454 -12.818 -7.886 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.449 -11.459 -6.193 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.404 -11.505 -4.692 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.296 -12.952 -5.723 1.00 0.00 H new ATOM 557 N SER 1 33 -9.424 -11.677 -3.527 1.00 0.00 N ATOM 558 CA SER 1 33 -9.802 -11.029 -2.270 1.00 0.00 C ATOM 559 C SER 1 33 -8.549 -10.886 -1.403 1.00 0.00 C ATOM 560 O SER 1 33 -7.605 -11.649 -1.602 1.00 0.00 O ATOM 561 CB SER 1 33 -10.857 -11.880 -1.552 1.00 0.00 C ATOM 562 OG SER 1 33 -11.463 -11.176 -0.484 1.00 0.00 O ATOM 0 H SER 1 33 -9.254 -12.678 -3.426 1.00 0.00 H new ATOM 0 HA SER 1 33 -10.226 -10.043 -2.462 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -11.622 -12.188 -2.265 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.392 -12.789 -1.171 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.130 -11.749 -0.052 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.485 -9.927 -0.423 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.289 -9.755 0.439 1.00 0.00 C ATOM 570 C PRO 1 34 -6.846 -11.037 1.130 1.00 0.00 C ATOM 571 O PRO 1 34 -5.672 -11.197 1.463 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.715 -8.701 1.467 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.203 -8.636 1.370 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.531 -8.944 -0.060 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.424 -9.460 -0.155 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.398 -8.981 2.472 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.264 -7.733 1.248 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.671 -9.355 2.042 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.571 -7.650 1.652 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.533 -9.360 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.487 -8.054 -0.687 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.799 -11.943 1.312 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.539 -13.243 1.932 1.00 0.00 C ATOM 584 C ASP 1 35 -6.920 -14.185 0.919 1.00 0.00 C ATOM 585 O ASP 1 35 -6.149 -15.081 1.268 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.815 -13.840 2.462 1.00 0.00 C ATOM 587 CG ASP 1 35 -8.938 -13.726 3.968 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -8.442 -14.628 4.674 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -9.524 -12.730 4.442 1.00 0.00 O ATOM 0 H ASP 1 35 -8.771 -11.801 1.036 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.847 -13.097 2.762 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.665 -13.343 1.994 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.864 -14.891 2.177 1.00 0.00 H new ATOM 594 N SER 1 36 -7.283 -13.952 -0.344 1.00 0.00 N ATOM 595 CA SER 1 36 -6.781 -14.724 -1.473 1.00 0.00 C ATOM 596 C SER 1 36 -5.305 -14.408 -1.693 1.00 0.00 C ATOM 597 O SER 1 36 -4.497 -15.330 -1.834 1.00 0.00 O ATOM 598 CB SER 1 36 -7.592 -14.428 -2.741 1.00 0.00 C ATOM 599 OG SER 1 36 -7.259 -15.327 -3.786 1.00 0.00 O ATOM 0 H SER 1 36 -7.938 -13.217 -0.610 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.889 -15.785 -1.249 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.657 -14.502 -2.520 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.404 -13.404 -3.065 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.792 -15.116 -4.581 1.00 0.00 H new ATOM 605 N LEU 1 37 -4.940 -13.100 -1.696 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.560 -12.708 -1.865 1.00 0.00 C ATOM 607 C LEU 1 37 -2.759 -12.981 -0.593 1.00 0.00 C ATOM 608 O LEU 1 37 -1.578 -13.280 -0.660 1.00 0.00 O ATOM 609 CB LEU 1 37 -3.443 -11.273 -2.346 1.00 0.00 C ATOM 610 CG LEU 1 37 -4.364 -10.273 -1.697 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -3.601 -9.016 -1.314 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -5.512 -9.934 -2.631 1.00 0.00 C ATOM 0 H LEU 1 37 -5.591 -12.323 -1.583 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.121 -13.323 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -2.416 -10.943 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.624 -11.257 -3.421 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.773 -10.715 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -4.282 -8.305 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -2.807 -9.272 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.166 -8.568 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -6.171 -9.210 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -5.117 -9.508 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -6.074 -10.839 -2.861 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.425 -12.893 0.573 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.799 -13.184 1.858 1.00 0.00 C ATOM 626 C ARG 1 38 -2.457 -14.672 1.897 1.00 0.00 C ATOM 627 O ARG 1 38 -1.363 -15.054 2.311 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.730 -12.820 3.024 1.00 0.00 C ATOM 629 CG ARG 1 38 -3.001 -12.541 4.337 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.965 -12.464 5.514 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.829 -11.278 5.451 1.00 0.00 N ATOM 632 CZ ARG 1 38 -5.819 -11.006 6.310 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -6.099 -11.828 7.320 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -6.532 -9.900 6.155 1.00 0.00 N ATOM 0 H ARG 1 38 -4.405 -12.619 0.642 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.895 -12.585 1.965 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.312 -11.940 2.750 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.437 -13.635 3.179 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -2.267 -13.326 4.519 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -2.451 -11.603 4.255 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -4.584 -13.361 5.533 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -3.398 -12.448 6.445 1.00 0.00 H new ATOM 0 HE ARG 1 38 -4.662 -10.612 4.697 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -5.555 -12.681 7.449 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -6.857 -11.604 7.965 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -6.325 -9.263 5.386 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -7.288 -9.685 6.805 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.415 -15.501 1.432 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.225 -16.950 1.347 1.00 0.00 C ATOM 650 C ASP 1 39 -2.185 -17.305 0.273 1.00 0.00 C ATOM 651 O ASP 1 39 -1.382 -18.222 0.453 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.550 -17.652 1.039 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.209 -18.216 2.281 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -4.960 -19.399 2.599 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -5.970 -17.477 2.939 1.00 0.00 O ATOM 0 H ASP 1 39 -4.329 -15.182 1.110 1.00 0.00 H new ATOM 0 HA ASP 1 39 -2.859 -17.295 2.314 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.229 -16.946 0.560 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.374 -18.458 0.327 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.200 -16.536 -0.833 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.286 -16.723 -1.958 1.00 0.00 C ATOM 662 C TYR 1 40 0.146 -16.284 -1.608 1.00 0.00 C ATOM 663 O TYR 1 40 1.101 -17.026 -1.824 1.00 0.00 O ATOM 664 CB TYR 1 40 -1.801 -15.936 -3.172 1.00 0.00 C ATOM 665 CG TYR 1 40 -1.441 -16.558 -4.502 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -2.164 -17.632 -5.005 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -0.376 -16.077 -5.251 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -1.835 -18.210 -6.216 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -0.041 -16.646 -6.464 1.00 0.00 C ATOM 670 CZ TYR 1 40 -0.773 -17.713 -6.942 1.00 0.00 C ATOM 671 OH TYR 1 40 -0.443 -18.284 -8.149 1.00 0.00 O ATOM 0 H TYR 1 40 -2.854 -15.764 -0.964 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.252 -17.786 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -2.885 -15.850 -3.104 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -1.398 -14.924 -3.134 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 -2.998 -18.022 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 0.201 -15.243 -4.879 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 -2.406 -19.046 -6.592 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 0.789 -16.258 -7.035 1.00 0.00 H new ATOM 0 HH TYR 1 40 0.328 -17.816 -8.533 1.00 0.00 H new ATOM 681 N PHE 1 41 0.266 -15.069 -1.049 1.00 0.00 N ATOM 682 CA PHE 1 41 1.540 -14.473 -0.668 1.00 0.00 C ATOM 683 C PHE 1 41 2.171 -15.145 0.561 1.00 0.00 C ATOM 684 O PHE 1 41 3.395 -15.117 0.723 1.00 0.00 O ATOM 685 CB PHE 1 41 1.332 -12.987 -0.459 1.00 0.00 C ATOM 686 CG PHE 1 41 1.345 -12.203 -1.748 1.00 0.00 C ATOM 687 CD1 PHE 1 41 0.193 -12.089 -2.514 1.00 0.00 C ATOM 688 CD2 PHE 1 41 2.506 -11.599 -2.207 1.00 0.00 C ATOM 689 CE1 PHE 1 41 0.200 -11.391 -3.707 1.00 0.00 C ATOM 690 CE2 PHE 1 41 2.517 -10.898 -3.397 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.364 -10.794 -4.148 1.00 0.00 C ATOM 0 H PHE 1 41 -0.536 -14.471 -0.850 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.256 -14.633 -1.474 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.380 -12.827 0.048 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.112 -12.606 0.200 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 -0.721 -12.552 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 3.413 -11.678 -1.626 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 -0.704 -11.313 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 3.428 -10.431 -3.740 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.372 -10.247 -5.079 1.00 0.00 H new ATOM 701 N SER 1 42 1.321 -15.751 1.432 1.00 0.00 N ATOM 702 CA SER 1 42 1.789 -16.458 2.653 1.00 0.00 C ATOM 703 C SER 1 42 2.623 -17.659 2.255 1.00 0.00 C ATOM 704 O SER 1 42 3.335 -18.265 3.059 1.00 0.00 O ATOM 705 CB SER 1 42 0.612 -16.911 3.527 1.00 0.00 C ATOM 706 OG SER 1 42 -0.323 -17.670 2.782 1.00 0.00 O ATOM 0 H SER 1 42 0.308 -15.764 1.310 1.00 0.00 H new ATOM 0 HA SER 1 42 2.392 -15.763 3.237 1.00 0.00 H new ATOM 0 HB2 SER 1 42 0.984 -17.506 4.361 1.00 0.00 H new ATOM 0 HB3 SER 1 42 0.117 -16.039 3.954 1.00 0.00 H new ATOM 0 HG SER 1 42 -0.122 -17.590 1.826 1.00 0.00 H new ATOM 712 N LYS 1 43 2.489 -17.957 0.979 1.00 0.00 N ATOM 713 CA LYS 1 43 3.164 -19.056 0.319 1.00 0.00 C ATOM 714 C LYS 1 43 4.619 -18.705 -0.029 1.00 0.00 C ATOM 715 O LYS 1 43 5.412 -19.587 -0.369 1.00 0.00 O ATOM 716 CB LYS 1 43 2.389 -19.420 -0.941 1.00 0.00 C ATOM 717 CG LYS 1 43 1.221 -20.368 -0.702 1.00 0.00 C ATOM 718 CD LYS 1 43 1.382 -21.656 -1.493 1.00 0.00 C ATOM 719 CE LYS 1 43 0.264 -22.641 -1.195 1.00 0.00 C ATOM 720 NZ LYS 1 43 0.339 -23.845 -2.067 1.00 0.00 N ATOM 0 H LYS 1 43 1.887 -17.423 0.352 1.00 0.00 H new ATOM 0 HA LYS 1 43 3.196 -19.907 0.999 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 2.013 -18.506 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 3.073 -19.877 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 1.149 -20.598 0.361 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 0.289 -19.879 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 1.393 -21.430 -2.559 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 2.343 -22.112 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 0.317 -22.946 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 -0.699 -22.150 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -0.441 -24.492 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 0.263 -23.557 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 1.247 -24.328 -1.915 1.00 0.00 H new ATOM 734 N PHE 1 44 4.947 -17.409 0.066 1.00 0.00 N ATOM 735 CA PHE 1 44 6.296 -16.905 -0.209 1.00 0.00 C ATOM 736 C PHE 1 44 7.031 -16.624 1.099 1.00 0.00 C ATOM 737 O PHE 1 44 8.247 -16.813 1.200 1.00 0.00 O ATOM 738 CB PHE 1 44 6.224 -15.633 -1.039 1.00 0.00 C ATOM 739 CG PHE 1 44 6.729 -15.797 -2.441 1.00 0.00 C ATOM 740 CD1 PHE 1 44 5.846 -16.003 -3.486 1.00 0.00 C ATOM 741 CD2 PHE 1 44 8.089 -15.757 -2.713 1.00 0.00 C ATOM 742 CE1 PHE 1 44 6.305 -16.169 -4.777 1.00 0.00 C ATOM 743 CE2 PHE 1 44 8.555 -15.920 -4.002 1.00 0.00 C ATOM 744 CZ PHE 1 44 7.660 -16.127 -5.037 1.00 0.00 C ATOM 0 H PHE 1 44 4.284 -16.683 0.336 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.842 -17.665 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 5.190 -15.290 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 6.802 -14.853 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 4.785 -16.034 -3.289 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 8.790 -15.597 -1.908 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 5.605 -16.332 -5.583 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 9.616 -15.886 -4.202 1.00 0.00 H new ATOM 0 HZ PHE 1 44 8.021 -16.255 -6.047 1.00 0.00 H new ATOM 754 N GLY 1 45 6.258 -16.177 2.090 1.00 0.00 N ATOM 755 CA GLY 1 45 6.751 -15.866 3.398 1.00 0.00 C ATOM 756 C GLY 1 45 5.596 -15.669 4.344 1.00 0.00 C ATOM 757 O GLY 1 45 4.472 -16.097 4.059 1.00 0.00 O ATOM 0 H GLY 1 45 5.255 -16.024 1.986 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.393 -16.671 3.756 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.361 -14.964 3.362 1.00 0.00 H new ATOM 761 N GLU 1 46 5.864 -15.014 5.453 1.00 0.00 N ATOM 762 CA GLU 1 46 4.862 -14.745 6.439 1.00 0.00 C ATOM 763 C GLU 1 46 4.387 -13.312 6.336 1.00 0.00 C ATOM 764 O GLU 1 46 5.180 -12.368 6.261 1.00 0.00 O ATOM 765 CB GLU 1 46 5.352 -15.040 7.852 1.00 0.00 C ATOM 766 CG GLU 1 46 4.203 -15.150 8.845 1.00 0.00 C ATOM 767 CD GLU 1 46 4.639 -15.668 10.202 1.00 0.00 C ATOM 768 OE1 GLU 1 46 4.858 -14.840 11.111 1.00 0.00 O ATOM 769 OE2 GLU 1 46 4.760 -16.901 10.356 1.00 0.00 O ATOM 0 H GLU 1 46 6.789 -14.655 5.689 1.00 0.00 H new ATOM 0 HA GLU 1 46 4.025 -15.414 6.238 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 5.920 -15.970 7.851 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 6.032 -14.251 8.172 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 3.741 -14.170 8.968 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.440 -15.813 8.437 1.00 0.00 H new ATOM 776 N ILE 1 47 3.084 -13.201 6.351 1.00 0.00 N ATOM 777 CA ILE 1 47 2.386 -11.920 6.261 1.00 0.00 C ATOM 778 C ILE 1 47 1.863 -11.487 7.626 1.00 0.00 C ATOM 779 O ILE 1 47 1.351 -12.295 8.406 1.00 0.00 O ATOM 780 CB ILE 1 47 1.245 -11.950 5.215 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.829 -12.226 3.840 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.453 -10.641 5.181 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.072 -13.261 3.012 1.00 0.00 C ATOM 0 H ILE 1 47 2.458 -14.003 6.427 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.113 -11.182 5.922 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.554 -12.743 5.503 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.862 -11.290 3.282 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.859 -12.562 3.960 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.336 -10.712 4.432 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 0.009 -10.459 6.160 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.121 -9.818 4.927 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.566 -13.388 2.049 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.060 -14.213 3.542 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.048 -12.922 2.853 1.00 0.00 H new ATOM 795 N ARG 1 48 2.032 -10.197 7.886 1.00 0.00 N ATOM 796 CA ARG 1 48 1.598 -9.558 9.115 1.00 0.00 C ATOM 797 C ARG 1 48 0.203 -8.959 8.950 1.00 0.00 C ATOM 798 O ARG 1 48 -0.640 -9.052 9.848 1.00 0.00 O ATOM 799 CB ARG 1 48 2.587 -8.443 9.435 1.00 0.00 C ATOM 800 CG ARG 1 48 2.821 -8.226 10.917 1.00 0.00 C ATOM 801 CD ARG 1 48 4.100 -7.442 11.172 1.00 0.00 C ATOM 802 NE ARG 1 48 4.466 -7.434 12.592 1.00 0.00 N ATOM 803 CZ ARG 1 48 5.708 -7.231 13.060 1.00 0.00 C ATOM 804 NH1 ARG 1 48 6.730 -7.015 12.233 1.00 0.00 N ATOM 805 NH2 ARG 1 48 5.926 -7.249 14.368 1.00 0.00 N ATOM 0 H ARG 1 48 2.484 -9.556 7.234 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.561 -10.295 9.918 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.540 -8.670 8.958 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 2.224 -7.514 8.996 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.974 -7.691 11.345 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 2.877 -9.190 11.422 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 4.913 -7.876 10.591 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.972 -6.417 10.825 1.00 0.00 H new ATOM 0 HE ARG 1 48 3.724 -7.594 13.273 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 6.576 -7.002 11.225 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 7.666 -6.863 12.608 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 5.153 -7.416 15.012 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 6.867 -7.096 14.730 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.022 -8.361 7.774 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.276 -7.705 7.433 1.00 0.00 C ATOM 821 C GLU 1 49 -1.432 -7.650 5.917 1.00 0.00 C ATOM 822 O GLU 1 49 -0.456 -7.737 5.177 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.329 -6.281 8.020 1.00 0.00 C ATOM 824 CG GLU 1 49 -2.733 -5.809 8.375 1.00 0.00 C ATOM 825 CD GLU 1 49 -2.742 -4.430 9.002 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -2.946 -3.443 8.264 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -2.545 -4.335 10.231 1.00 0.00 O ATOM 0 H GLU 1 49 0.673 -8.322 7.029 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.096 -8.281 7.862 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -0.707 -6.245 8.915 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -0.894 -5.586 7.301 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.348 -5.799 7.475 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.188 -6.520 9.064 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.673 -7.515 5.480 1.00 0.00 N ATOM 835 CA CYS 1 50 -3.028 -7.431 4.081 1.00 0.00 C ATOM 836 C CYS 1 50 -4.204 -6.484 3.907 1.00 0.00 C ATOM 837 O CYS 1 50 -5.053 -6.345 4.793 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.349 -8.812 3.502 1.00 0.00 C ATOM 839 SG CYS 1 50 -4.130 -8.789 1.871 1.00 0.00 S ATOM 0 H CYS 1 50 -3.477 -7.460 6.106 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.172 -7.040 3.530 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.425 -9.387 3.439 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.005 -9.338 4.196 1.00 0.00 H new ATOM 0 HG CYS 1 50 -4.508 -9.992 1.554 1.00 0.00 H new ATOM 845 N MET 1 51 -4.234 -5.852 2.741 1.00 0.00 N ATOM 846 CA MET 1 51 -5.260 -4.874 2.392 1.00 0.00 C ATOM 847 C MET 1 51 -5.480 -4.760 0.883 1.00 0.00 C ATOM 848 O MET 1 51 -4.536 -4.716 0.096 1.00 0.00 O ATOM 849 CB MET 1 51 -4.874 -3.509 2.953 1.00 0.00 C ATOM 850 CG MET 1 51 -5.848 -2.373 2.656 1.00 0.00 C ATOM 851 SD MET 1 51 -5.292 -0.792 3.324 1.00 0.00 S ATOM 852 CE MET 1 51 -6.314 0.347 2.396 1.00 0.00 C ATOM 0 H MET 1 51 -3.544 -6.003 2.005 1.00 0.00 H new ATOM 0 HA MET 1 51 -6.196 -5.219 2.830 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.767 -3.598 4.034 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.896 -3.237 2.557 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.977 -2.283 1.577 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.824 -2.617 3.075 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -6.086 1.369 2.698 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -6.114 0.230 1.331 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -7.365 0.136 2.593 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.754 -4.748 0.528 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.226 -4.550 -0.841 1.00 0.00 C ATOM 864 C VAL 1 52 -8.252 -3.421 -0.806 1.00 0.00 C ATOM 865 O VAL 1 52 -9.234 -3.473 -0.061 1.00 0.00 O ATOM 866 CB VAL 1 52 -7.827 -5.827 -1.448 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.308 -5.641 -2.888 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -6.819 -6.951 -1.402 1.00 0.00 C ATOM 0 H VAL 1 52 -7.512 -4.879 1.198 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.384 -4.292 -1.483 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.700 -6.072 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -8.721 -6.579 -3.258 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -9.077 -4.869 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.469 -5.342 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.257 -7.850 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -5.933 -6.669 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.539 -7.146 -0.367 1.00 0.00 H new ATOM 878 N MET 1 53 -7.992 -2.416 -1.622 1.00 0.00 N ATOM 879 CA MET 1 53 -8.818 -1.199 -1.702 1.00 0.00 C ATOM 880 C MET 1 53 -10.176 -1.422 -2.376 1.00 0.00 C ATOM 881 O MET 1 53 -10.260 -1.737 -3.567 1.00 0.00 O ATOM 882 CB MET 1 53 -8.043 -0.086 -2.420 1.00 0.00 C ATOM 883 CG MET 1 53 -7.182 0.762 -1.488 1.00 0.00 C ATOM 884 SD MET 1 53 -6.834 2.408 -2.146 1.00 0.00 S ATOM 885 CE MET 1 53 -8.363 3.267 -1.771 1.00 0.00 C ATOM 0 H MET 1 53 -7.196 -2.410 -2.259 1.00 0.00 H new ATOM 0 HA MET 1 53 -9.034 -0.903 -0.676 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -7.405 -0.533 -3.183 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -8.751 0.562 -2.936 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -7.686 0.861 -0.527 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -6.241 0.245 -1.302 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -8.296 4.298 -2.120 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -9.193 2.768 -2.271 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -8.530 3.258 -0.694 1.00 0.00 H new ATOM 895 N ARG 1 54 -11.232 -1.249 -1.570 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.619 -1.389 -2.018 1.00 0.00 C ATOM 897 C ARG 1 54 -13.477 -0.262 -1.437 1.00 0.00 C ATOM 898 O ARG 1 54 -13.138 0.302 -0.391 1.00 0.00 O ATOM 899 CB ARG 1 54 -13.188 -2.749 -1.597 1.00 0.00 C ATOM 900 CG ARG 1 54 -12.949 -3.854 -2.617 1.00 0.00 C ATOM 901 CD ARG 1 54 -13.713 -5.125 -2.266 1.00 0.00 C ATOM 902 NE ARG 1 54 -13.114 -5.846 -1.137 1.00 0.00 N ATOM 903 CZ ARG 1 54 -13.780 -6.677 -0.323 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -15.080 -6.912 -0.493 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -13.137 -7.280 0.666 1.00 0.00 N ATOM 0 H ARG 1 54 -11.145 -1.007 -0.583 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.637 -1.326 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.742 -3.041 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -14.260 -2.648 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -13.253 -3.508 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -11.883 -4.074 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -14.745 -4.870 -2.024 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -13.742 -5.780 -3.137 1.00 0.00 H new ATOM 0 HE ARG 1 54 -12.120 -5.705 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -15.586 -6.456 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -15.570 -7.548 0.137 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -12.141 -7.111 0.805 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -13.638 -7.913 1.289 1.00 0.00 H new ATOM 919 N ASP 1 55 -14.595 0.047 -2.108 1.00 0.00 N ATOM 920 CA ASP 1 55 -15.499 1.092 -1.681 1.00 0.00 C ATOM 921 C ASP 1 55 -16.645 0.517 -0.838 1.00 0.00 C ATOM 922 O ASP 1 55 -17.446 -0.264 -1.346 1.00 0.00 O ATOM 923 CB ASP 1 55 -16.056 1.820 -2.887 1.00 0.00 C ATOM 924 CG ASP 1 55 -15.262 3.062 -3.240 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -14.329 2.957 -4.063 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -15.573 4.140 -2.691 1.00 0.00 O ATOM 0 H ASP 1 55 -14.887 -0.429 -2.962 1.00 0.00 H new ATOM 0 HA ASP 1 55 -14.941 1.795 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -16.064 1.144 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -17.091 2.099 -2.691 1.00 0.00 H new ATOM 931 N PRO 1 56 -16.737 0.871 0.477 1.00 0.00 N ATOM 932 CA PRO 1 56 -17.814 0.381 1.374 1.00 0.00 C ATOM 933 C PRO 1 56 -19.245 0.689 0.890 1.00 0.00 C ATOM 934 O PRO 1 56 -20.211 0.191 1.476 1.00 0.00 O ATOM 935 CB PRO 1 56 -17.546 1.120 2.691 1.00 0.00 C ATOM 936 CG PRO 1 56 -16.103 1.477 2.650 1.00 0.00 C ATOM 937 CD PRO 1 56 -15.779 1.733 1.205 1.00 0.00 C ATOM 0 HA PRO 1 56 -17.784 -0.707 1.438 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -18.170 2.010 2.777 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -17.771 0.488 3.550 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -15.902 2.360 3.257 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -15.490 0.669 3.050 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -15.907 2.784 0.945 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -14.747 1.471 0.973 1.00 0.00 H new ATOM 945 N THR 1 57 -19.376 1.504 -0.173 1.00 0.00 N ATOM 946 CA THR 1 57 -20.685 1.883 -0.711 1.00 0.00 C ATOM 947 C THR 1 57 -21.289 0.805 -1.619 1.00 0.00 C ATOM 948 O THR 1 57 -22.479 0.498 -1.513 1.00 0.00 O ATOM 949 CB THR 1 57 -20.616 3.210 -1.497 1.00 0.00 C ATOM 950 OG1 THR 1 57 -19.517 3.183 -2.416 1.00 0.00 O ATOM 951 CG2 THR 1 57 -20.471 4.399 -0.557 1.00 0.00 C ATOM 0 H THR 1 57 -18.586 1.911 -0.674 1.00 0.00 H new ATOM 0 HA THR 1 57 -21.330 2.004 0.159 1.00 0.00 H new ATOM 0 HB THR 1 57 -21.549 3.321 -2.050 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -19.483 4.028 -2.911 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -20.425 5.319 -1.139 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -21.328 4.438 0.116 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -19.556 4.292 0.026 1.00 0.00 H new ATOM 959 N THR 1 58 -20.459 0.243 -2.507 1.00 0.00 N ATOM 960 CA THR 1 58 -20.900 -0.805 -3.441 1.00 0.00 C ATOM 961 C THR 1 58 -19.976 -2.030 -3.408 1.00 0.00 C ATOM 962 O THR 1 58 -20.265 -3.051 -4.039 1.00 0.00 O ATOM 963 CB THR 1 58 -20.973 -0.266 -4.891 1.00 0.00 C ATOM 964 OG1 THR 1 58 -19.673 0.149 -5.338 1.00 0.00 O ATOM 965 CG2 THR 1 58 -21.932 0.911 -4.982 1.00 0.00 C ATOM 0 H THR 1 58 -19.475 0.496 -2.600 1.00 0.00 H new ATOM 0 HA THR 1 58 -21.894 -1.110 -3.115 1.00 0.00 H new ATOM 0 HB THR 1 58 -21.336 -1.072 -5.528 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -19.735 0.486 -6.256 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -21.967 1.273 -6.009 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -22.928 0.593 -4.675 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -21.589 1.712 -4.327 1.00 0.00 H new ATOM 973 N LYS 1 59 -18.863 -1.912 -2.658 1.00 0.00 N ATOM 974 CA LYS 1 59 -17.844 -2.973 -2.506 1.00 0.00 C ATOM 975 C LYS 1 59 -17.278 -3.421 -3.848 1.00 0.00 C ATOM 976 O LYS 1 59 -17.248 -4.608 -4.200 1.00 0.00 O ATOM 977 CB LYS 1 59 -18.375 -4.130 -1.654 1.00 0.00 C ATOM 978 CG LYS 1 59 -18.377 -3.758 -0.187 1.00 0.00 C ATOM 979 CD LYS 1 59 -19.771 -3.814 0.414 1.00 0.00 C ATOM 980 CE LYS 1 59 -19.790 -3.216 1.812 1.00 0.00 C ATOM 981 NZ LYS 1 59 -21.096 -3.432 2.495 1.00 0.00 N ATOM 0 H LYS 1 59 -18.642 -1.066 -2.133 1.00 0.00 H new ATOM 0 HA LYS 1 59 -16.999 -2.551 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -19.386 -4.387 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -17.758 -5.015 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -17.720 -4.435 0.359 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -17.971 -2.753 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -20.468 -3.273 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -20.112 -4.849 0.453 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -18.992 -3.660 2.407 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -19.585 -2.147 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -21.065 -3.009 3.445 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -21.855 -2.986 1.941 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -21.281 -4.452 2.577 1.00 0.00 H new ATOM 995 N ARG 1 60 -16.819 -2.411 -4.571 1.00 0.00 N ATOM 996 CA ARG 1 60 -16.220 -2.569 -5.895 1.00 0.00 C ATOM 997 C ARG 1 60 -14.688 -2.576 -5.809 1.00 0.00 C ATOM 998 O ARG 1 60 -14.092 -1.681 -5.203 1.00 0.00 O ATOM 999 CB ARG 1 60 -16.705 -1.447 -6.837 1.00 0.00 C ATOM 1000 CG ARG 1 60 -16.378 -0.021 -6.376 1.00 0.00 C ATOM 1001 CD ARG 1 60 -16.043 0.883 -7.551 1.00 0.00 C ATOM 1002 NE ARG 1 60 -15.724 2.248 -7.118 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -15.007 3.128 -7.831 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -14.516 2.808 -9.027 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -14.779 4.338 -7.340 1.00 0.00 N ATOM 0 H ARG 1 60 -16.851 -1.442 -4.253 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.537 -3.529 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -16.263 -1.604 -7.821 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -17.785 -1.535 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -17.228 0.390 -5.831 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -15.537 -0.046 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -15.196 0.468 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -16.886 0.909 -8.241 1.00 0.00 H new ATOM 0 HE ARG 1 60 -16.073 2.549 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -14.683 1.880 -9.415 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -13.973 3.491 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -15.148 4.595 -6.425 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -14.234 5.012 -7.878 1.00 0.00 H new ATOM 1019 N SER 1 61 -14.068 -3.587 -6.424 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.608 -3.721 -6.433 1.00 0.00 C ATOM 1021 C SER 1 61 -12.023 -3.153 -7.725 1.00 0.00 C ATOM 1022 O SER 1 61 -12.572 -3.376 -8.808 1.00 0.00 O ATOM 1023 CB SER 1 61 -12.214 -5.193 -6.282 1.00 0.00 C ATOM 1024 OG SER 1 61 -10.823 -5.331 -6.040 1.00 0.00 O ATOM 0 H SER 1 61 -14.557 -4.329 -6.925 1.00 0.00 H new ATOM 0 HA SER 1 61 -12.205 -3.156 -5.593 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -12.774 -5.639 -5.461 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -12.484 -5.739 -7.186 1.00 0.00 H new ATOM 0 HG SER 1 61 -10.600 -6.281 -5.946 1.00 0.00 H new ATOM 1030 N ARG 1 62 -10.912 -2.416 -7.599 1.00 0.00 N ATOM 1031 CA ARG 1 62 -10.242 -1.816 -8.759 1.00 0.00 C ATOM 1032 C ARG 1 62 -9.105 -2.702 -9.277 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.566 -2.459 -10.362 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.714 -0.420 -8.417 1.00 0.00 C ATOM 1035 CG ARG 1 62 -10.752 0.676 -8.600 1.00 0.00 C ATOM 1036 CD ARG 1 62 -10.151 2.061 -8.427 1.00 0.00 C ATOM 1037 NE ARG 1 62 -11.014 3.102 -8.998 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -11.309 4.267 -8.403 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -10.819 4.575 -7.204 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -12.105 5.131 -9.019 1.00 0.00 N ATOM 0 H ARG 1 62 -10.459 -2.221 -6.706 1.00 0.00 H new ATOM 0 HA ARG 1 62 -10.983 -1.727 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -9.367 -0.413 -7.384 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -8.850 -0.202 -9.045 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -11.195 0.594 -9.592 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -11.557 0.537 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -9.994 2.260 -7.367 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -9.173 2.096 -8.906 1.00 0.00 H new ATOM 0 HE ARG 1 62 -11.420 2.926 -9.917 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -10.206 3.919 -6.720 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -11.056 5.467 -6.770 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -12.487 4.907 -9.938 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -12.335 6.020 -8.574 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.756 -3.730 -8.495 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.705 -4.659 -8.880 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.327 -4.272 -8.364 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.345 -4.370 -9.103 1.00 0.00 O ATOM 0 H GLY 1 63 -9.189 -3.933 -7.594 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -7.956 -5.652 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.671 -4.725 -9.967 1.00 0.00 H new ATOM 1061 N PHE 1 64 -6.257 -3.807 -7.104 1.00 0.00 N ATOM 1062 CA PHE 1 64 -4.981 -3.415 -6.482 1.00 0.00 C ATOM 1063 C PHE 1 64 -5.063 -3.475 -4.953 1.00 0.00 C ATOM 1064 O PHE 1 64 -6.132 -3.253 -4.376 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.528 -2.019 -6.975 1.00 0.00 C ATOM 1066 CG PHE 1 64 -5.259 -0.849 -6.378 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -6.258 -0.205 -7.075 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -4.919 -0.397 -5.123 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -6.913 0.883 -6.525 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -5.564 0.683 -4.560 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -6.564 1.328 -5.263 1.00 0.00 C ATOM 0 H PHE 1 64 -7.069 -3.694 -6.497 1.00 0.00 H new ATOM 0 HA PHE 1 64 -4.224 -4.135 -6.792 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -3.465 -1.906 -6.763 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.643 -1.981 -8.058 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -6.533 -0.553 -8.060 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -4.136 -0.896 -4.572 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -7.694 1.383 -7.079 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -5.289 1.024 -3.573 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -7.071 2.177 -4.828 1.00 0.00 H new ATOM 1081 N GLY 1 65 -3.924 -3.775 -4.314 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.848 -3.851 -2.888 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.414 -3.802 -2.418 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.513 -3.473 -3.184 1.00 0.00 O ATOM 0 H GLY 1 65 -3.043 -3.968 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.407 -3.026 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.316 -4.774 -2.544 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.237 -4.079 -1.140 1.00 0.00 N ATOM 1089 CA PHE 1 66 -0.976 -4.103 -0.473 1.00 0.00 C ATOM 1090 C PHE 1 66 -0.898 -5.335 0.419 1.00 0.00 C ATOM 1091 O PHE 1 66 -1.916 -5.976 0.704 1.00 0.00 O ATOM 1092 CB PHE 1 66 -0.853 -2.854 0.369 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.737 -1.578 -0.416 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 0.495 -0.979 -0.625 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 -1.870 -0.979 -0.945 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 0.593 0.197 -1.348 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 -1.779 0.193 -1.670 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.546 0.782 -1.872 1.00 0.00 C ATOM 0 H PHE 1 66 -3.016 -4.303 -0.520 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.166 -4.140 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.723 -2.785 1.022 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 0.022 -2.950 1.012 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 1.387 -1.434 -0.220 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 -2.836 -1.435 -0.788 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 1.558 0.658 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 -2.670 0.648 -2.078 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.471 1.698 -2.439 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.313 -5.653 0.852 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.573 -6.797 1.723 1.00 0.00 C ATOM 1110 C VAL 1 67 1.767 -6.481 2.577 1.00 0.00 C ATOM 1111 O VAL 1 67 2.803 -6.013 2.098 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.799 -8.148 0.956 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.221 -9.281 1.901 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.449 -8.573 0.193 1.00 0.00 C ATOM 0 H VAL 1 67 1.150 -5.123 0.609 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.320 -6.953 2.328 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.607 -7.964 0.248 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.367 -10.197 1.329 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 2.153 -9.012 2.398 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.444 -9.440 2.648 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.256 -9.512 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.275 -8.708 0.892 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.711 -7.804 -0.534 1.00 0.00 H new ATOM 1124 N THR 1 68 1.587 -6.760 3.840 1.00 0.00 N ATOM 1125 CA THR 1 68 2.581 -6.510 4.834 1.00 0.00 C ATOM 1126 C THR 1 68 3.243 -7.790 5.283 1.00 0.00 C ATOM 1127 O THR 1 68 2.672 -8.577 6.038 1.00 0.00 O ATOM 1128 CB THR 1 68 1.968 -5.795 6.020 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.958 -4.889 5.545 1.00 0.00 O ATOM 1130 CG2 THR 1 68 3.051 -5.065 6.807 1.00 0.00 C ATOM 0 H THR 1 68 0.730 -7.174 4.207 1.00 0.00 H new ATOM 0 HA THR 1 68 3.346 -5.873 4.390 1.00 0.00 H new ATOM 0 HB THR 1 68 1.503 -6.514 6.694 1.00 0.00 H new ATOM 0 HG1 THR 1 68 0.666 -4.310 6.280 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.600 -4.554 7.658 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.788 -5.784 7.164 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.540 -4.335 6.162 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.459 -7.964 4.810 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.259 -9.122 5.134 1.00 0.00 C ATOM 1140 C PHE 1 69 5.982 -8.964 6.475 1.00 0.00 C ATOM 1141 O PHE 1 69 6.737 -8.006 6.674 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.252 -9.377 4.020 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.670 -10.189 2.908 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.602 -11.571 3.002 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.174 -9.572 1.775 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 5.056 -12.320 1.985 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 4.628 -10.320 0.749 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.571 -11.698 0.857 1.00 0.00 C ATOM 0 H PHE 1 69 4.921 -7.302 4.187 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.592 -9.978 5.232 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.602 -8.423 3.624 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 7.123 -9.893 4.425 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 5.982 -12.065 3.884 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 5.213 -8.496 1.691 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 5.008 -13.395 2.072 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 4.247 -9.830 -0.135 1.00 0.00 H new ATOM 0 HZ PHE 1 69 4.146 -12.285 0.057 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.737 -9.915 7.389 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.345 -9.906 8.727 1.00 0.00 C ATOM 1160 C ALA 1 70 7.814 -10.326 8.744 1.00 0.00 C ATOM 1161 O ALA 1 70 8.453 -10.383 9.803 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.529 -10.763 9.690 1.00 0.00 C ATOM 0 H ALA 1 70 5.116 -10.707 7.223 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.329 -8.867 9.057 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 5.993 -10.745 10.676 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.515 -10.368 9.759 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.494 -11.789 9.324 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.325 -10.595 7.566 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.695 -11.008 7.371 1.00 0.00 C ATOM 1170 C ASP 1 71 10.382 -10.167 6.301 1.00 0.00 C ATOM 1171 O ASP 1 71 9.807 -9.958 5.227 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.735 -12.464 6.936 1.00 0.00 C ATOM 1173 CG ASP 1 71 11.059 -13.170 7.212 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 11.439 -14.040 6.402 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 11.704 -12.862 8.238 1.00 0.00 O ATOM 0 H ASP 1 71 7.790 -10.532 6.700 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.219 -10.875 8.318 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 8.937 -13.004 7.445 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.525 -12.517 5.868 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.615 -9.654 6.567 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.376 -8.902 5.564 1.00 0.00 C ATOM 1182 C PRO 1 72 12.937 -9.812 4.489 1.00 0.00 C ATOM 1183 O PRO 1 72 13.344 -9.360 3.414 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.528 -8.290 6.337 1.00 0.00 C ATOM 1185 CG PRO 1 72 13.240 -8.516 7.782 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.356 -9.724 7.848 1.00 0.00 C ATOM 0 HA PRO 1 72 11.744 -8.168 5.063 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.474 -8.752 6.054 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.617 -7.225 6.122 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 14.161 -8.677 8.342 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.747 -7.649 8.221 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.934 -10.645 7.932 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.685 -9.689 8.706 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.947 -11.105 4.811 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.467 -12.131 3.916 1.00 0.00 C ATOM 1196 C ALA 1 73 12.489 -12.462 2.801 1.00 0.00 C ATOM 1197 O ALA 1 73 12.893 -12.823 1.692 1.00 0.00 O ATOM 1198 CB ALA 1 73 13.845 -13.381 4.695 1.00 0.00 C ATOM 0 H ALA 1 73 12.595 -11.467 5.697 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.365 -11.730 3.447 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 14.231 -14.135 4.009 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.611 -13.134 5.430 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 12.965 -13.772 5.205 1.00 0.00 H new ATOM 1204 N SER 1 74 11.200 -12.317 3.109 1.00 0.00 N ATOM 1205 CA SER 1 74 10.126 -12.587 2.146 1.00 0.00 C ATOM 1206 C SER 1 74 10.097 -11.541 1.042 1.00 0.00 C ATOM 1207 O SER 1 74 9.743 -11.838 -0.102 1.00 0.00 O ATOM 1208 CB SER 1 74 8.775 -12.668 2.845 1.00 0.00 C ATOM 1209 OG SER 1 74 7.833 -13.342 2.031 1.00 0.00 O ATOM 0 H SER 1 74 10.870 -12.012 4.025 1.00 0.00 H new ATOM 0 HA SER 1 74 10.332 -13.554 1.686 1.00 0.00 H new ATOM 0 HB2 SER 1 74 8.882 -13.190 3.796 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.416 -11.664 3.072 1.00 0.00 H new ATOM 0 HG SER 1 74 6.927 -13.142 2.345 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.485 -10.319 1.408 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.548 -9.193 0.477 1.00 0.00 C ATOM 1217 C VAL 1 75 11.691 -9.409 -0.510 1.00 0.00 C ATOM 1218 O VAL 1 75 11.612 -9.007 -1.670 1.00 0.00 O ATOM 1219 CB VAL 1 75 10.743 -7.831 1.211 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 10.506 -6.643 0.277 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 9.838 -7.711 2.436 1.00 0.00 C ATOM 0 H VAL 1 75 10.765 -10.082 2.360 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.595 -9.149 -0.051 1.00 0.00 H new ATOM 0 HB VAL 1 75 11.781 -7.809 1.543 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 10.652 -5.713 0.827 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 11.210 -6.687 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 9.487 -6.681 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 10.005 -6.748 2.919 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 8.795 -7.786 2.127 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 10.067 -8.513 3.138 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.734 -10.072 -0.013 1.00 0.00 N ATOM 1232 CA ASP 1 76 13.917 -10.412 -0.790 1.00 0.00 C ATOM 1233 C ASP 1 76 13.580 -11.507 -1.798 1.00 0.00 C ATOM 1234 O ASP 1 76 13.993 -11.466 -2.962 1.00 0.00 O ATOM 1235 CB ASP 1 76 15.013 -10.887 0.159 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.413 -10.612 -0.360 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 16.944 -11.456 -1.112 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 16.976 -9.553 -0.014 1.00 0.00 O ATOM 0 H ASP 1 76 12.778 -10.391 0.955 1.00 0.00 H new ATOM 0 HA ASP 1 76 14.264 -9.535 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.887 -10.396 1.124 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 14.899 -11.958 0.329 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.802 -12.469 -1.307 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.334 -13.617 -2.088 1.00 0.00 C ATOM 1245 C LYS 1 77 11.385 -13.194 -3.210 1.00 0.00 C ATOM 1246 O LYS 1 77 11.475 -13.701 -4.333 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.644 -14.647 -1.182 1.00 0.00 C ATOM 1248 CG LYS 1 77 12.583 -15.349 -0.211 1.00 0.00 C ATOM 1249 CD LYS 1 77 11.981 -16.651 0.301 1.00 0.00 C ATOM 1250 CE LYS 1 77 12.906 -17.359 1.283 1.00 0.00 C ATOM 1251 NZ LYS 1 77 14.113 -17.926 0.614 1.00 0.00 N ATOM 0 H LYS 1 77 12.473 -12.475 -0.342 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.213 -14.073 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 10.859 -14.147 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 11.158 -15.396 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.532 -15.555 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 12.798 -14.690 0.630 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 11.027 -16.444 0.786 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 11.773 -17.311 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 13.218 -16.657 2.056 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 12.359 -18.160 1.781 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 14.687 -18.441 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 13.818 -18.578 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 14.677 -17.155 0.204 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.507 -12.238 -2.898 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.524 -11.716 -3.858 1.00 0.00 C ATOM 1267 C VAL 1 78 10.187 -10.734 -4.844 1.00 0.00 C ATOM 1268 O VAL 1 78 9.771 -10.642 -6.003 1.00 0.00 O ATOM 1269 CB VAL 1 78 8.304 -11.053 -3.137 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 7.306 -10.447 -4.128 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.586 -12.070 -2.255 1.00 0.00 C ATOM 0 H VAL 1 78 10.455 -11.803 -1.977 1.00 0.00 H new ATOM 0 HA VAL 1 78 9.141 -12.563 -4.427 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.702 -10.246 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 6.477 -9.999 -3.581 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 7.804 -9.682 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 6.926 -11.229 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.740 -11.591 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.227 -12.896 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.277 -12.451 -1.503 1.00 0.00 H new ATOM 1281 N LEU 1 79 11.208 -10.002 -4.367 1.00 0.00 N ATOM 1282 CA LEU 1 79 11.954 -9.046 -5.166 1.00 0.00 C ATOM 1283 C LEU 1 79 12.685 -9.721 -6.333 1.00 0.00 C ATOM 1284 O LEU 1 79 12.796 -9.146 -7.420 1.00 0.00 O ATOM 1285 CB LEU 1 79 12.955 -8.378 -4.228 1.00 0.00 C ATOM 1286 CG LEU 1 79 13.278 -6.894 -4.440 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 14.134 -6.675 -5.684 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 12.016 -6.030 -4.489 1.00 0.00 C ATOM 0 H LEU 1 79 11.534 -10.067 -3.403 1.00 0.00 H new ATOM 0 HA LEU 1 79 11.273 -8.320 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 12.584 -8.494 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 13.891 -8.933 -4.292 1.00 0.00 H new ATOM 0 HG LEU 1 79 13.858 -6.577 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 14.342 -5.611 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 15.073 -7.219 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.600 -7.038 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 12.295 -4.987 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 11.381 -6.359 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.472 -6.127 -3.550 1.00 0.00 H new ATOM 1300 N GLY 1 80 13.172 -10.950 -6.089 1.00 0.00 N ATOM 1301 CA GLY 1 80 13.875 -11.714 -7.107 1.00 0.00 C ATOM 1302 C GLY 1 80 12.948 -12.348 -8.135 1.00 0.00 C ATOM 1303 O GLY 1 80 13.400 -12.791 -9.195 1.00 0.00 O ATOM 0 H GLY 1 80 13.086 -11.427 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.580 -11.060 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.460 -12.497 -6.624 1.00 0.00 H new ATOM 1307 N GLN 1 81 11.657 -12.397 -7.802 1.00 0.00 N ATOM 1308 CA GLN 1 81 10.639 -12.953 -8.667 1.00 0.00 C ATOM 1309 C GLN 1 81 9.903 -11.831 -9.430 1.00 0.00 C ATOM 1310 O GLN 1 81 9.023 -11.173 -8.861 1.00 0.00 O ATOM 1311 CB GLN 1 81 9.673 -13.755 -7.804 1.00 0.00 C ATOM 1312 CG GLN 1 81 10.263 -15.064 -7.305 1.00 0.00 C ATOM 1313 CD GLN 1 81 9.915 -16.241 -8.196 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 8.917 -16.928 -7.976 1.00 0.00 O ATOM 1315 NE2 GLN 1 81 10.735 -16.475 -9.213 1.00 0.00 N ATOM 0 H GLN 1 81 11.295 -12.047 -6.915 1.00 0.00 H new ATOM 0 HA GLN 1 81 11.093 -13.605 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.372 -13.150 -6.949 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 8.771 -13.966 -8.379 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 11.347 -14.969 -7.243 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 9.902 -15.259 -6.295 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 11.551 -15.880 -9.358 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 10.549 -17.250 -9.850 1.00 0.00 H new ATOM 1324 N PRO 1 82 10.268 -11.565 -10.726 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.629 -10.505 -11.528 1.00 0.00 C ATOM 1326 C PRO 1 82 8.260 -10.899 -12.092 1.00 0.00 C ATOM 1327 O PRO 1 82 7.362 -10.056 -12.183 1.00 0.00 O ATOM 1328 CB PRO 1 82 10.617 -10.262 -12.686 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.794 -11.154 -12.436 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.327 -12.238 -11.509 1.00 0.00 C ATOM 0 HA PRO 1 82 9.435 -9.628 -10.911 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 10.154 -10.491 -13.646 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.923 -9.217 -12.722 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 12.164 -11.577 -13.370 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 12.617 -10.593 -11.992 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 10.941 -13.099 -12.055 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 12.133 -12.600 -10.871 1.00 0.00 H new ATOM 1338 N HIS 1 83 8.102 -12.180 -12.454 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.853 -12.681 -13.026 1.00 0.00 C ATOM 1340 C HIS 1 83 5.899 -13.184 -11.937 1.00 0.00 C ATOM 1341 O HIS 1 83 6.281 -13.996 -11.089 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.162 -13.802 -14.020 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.131 -13.955 -15.099 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 5.024 -14.768 -14.978 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 6.039 -13.376 -16.321 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 4.296 -14.685 -16.078 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 4.890 -13.847 -16.906 1.00 0.00 N ATOM 0 H HIS 1 83 8.830 -12.888 -12.358 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.357 -11.859 -13.543 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.131 -13.610 -14.481 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.249 -14.743 -13.477 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 6.738 -12.676 -16.753 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 3.373 -15.213 -16.267 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 4.550 -13.590 -17.833 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.664 -12.669 -11.969 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.618 -13.042 -11.027 1.00 0.00 C ATOM 1358 C HIS 1 84 2.309 -13.213 -11.784 1.00 0.00 C ATOM 1359 O HIS 1 84 1.818 -12.266 -12.412 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.473 -11.972 -9.948 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.330 -12.533 -8.569 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 2.141 -13.026 -8.075 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 4.241 -12.692 -7.579 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 2.327 -13.465 -6.843 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 3.592 -13.274 -6.519 1.00 0.00 N ATOM 0 H HIS 1 84 4.367 -11.977 -12.657 1.00 0.00 H new ATOM 0 HA HIS 1 84 3.881 -13.981 -10.541 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.344 -11.317 -9.977 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.603 -11.355 -10.173 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 5.284 -12.413 -7.617 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 1.572 -13.905 -6.209 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 4.018 -13.519 -5.625 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.754 -14.416 -11.724 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.538 -14.728 -12.405 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.568 -15.036 -11.416 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.389 -15.773 -10.442 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.751 -15.909 -13.357 1.00 0.00 C ATOM 1379 CG GLU 1 85 -0.108 -15.852 -14.611 1.00 0.00 C ATOM 1380 CD GLU 1 85 0.126 -17.032 -15.533 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 -0.474 -18.101 -15.293 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 0.908 -16.887 -16.496 1.00 0.00 O ATOM 0 H GLU 1 85 2.148 -15.195 -11.196 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.238 -13.858 -12.990 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 1.801 -15.943 -13.649 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.538 -16.836 -12.824 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -1.159 -15.822 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 0.103 -14.928 -15.149 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.703 -14.441 -11.712 1.00 0.00 N ATOM 1390 CA LEU 1 86 -2.918 -14.565 -10.966 1.00 0.00 C ATOM 1391 C LEU 1 86 -4.061 -14.545 -11.962 1.00 0.00 C ATOM 1392 O LEU 1 86 -4.099 -13.705 -12.864 1.00 0.00 O ATOM 1393 CB LEU 1 86 -3.051 -13.405 -9.976 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.431 -13.232 -9.349 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.591 -14.097 -8.105 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.692 -11.768 -9.038 1.00 0.00 C ATOM 0 H LEU 1 86 -1.799 -13.829 -12.522 1.00 0.00 H new ATOM 0 HA LEU 1 86 -2.927 -15.491 -10.392 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.323 -13.547 -9.177 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.785 -12.480 -10.489 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.175 -13.567 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.586 -13.949 -7.684 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.463 -15.146 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -3.839 -13.816 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.681 -11.662 -8.591 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -3.937 -11.404 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.645 -11.187 -9.959 1.00 0.00 H new ATOM 1408 N ASP 1 87 -4.992 -15.469 -11.769 1.00 0.00 N ATOM 1409 CA ASP 1 87 -6.180 -15.646 -12.623 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.799 -15.758 -14.099 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.494 -15.282 -15.006 1.00 0.00 O ATOM 1412 CB ASP 1 87 -7.103 -14.483 -12.372 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.535 -14.714 -12.827 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -9.372 -15.097 -11.983 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -8.818 -14.514 -14.026 1.00 0.00 O ATOM 0 H ASP 1 87 -4.950 -16.137 -10.999 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.684 -16.579 -12.373 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.104 -14.258 -11.305 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.709 -13.604 -12.882 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.672 -16.428 -14.289 1.00 0.00 N ATOM 1421 CA SER 1 88 -4.055 -16.691 -15.609 1.00 0.00 C ATOM 1422 C SER 1 88 -3.513 -15.402 -16.262 1.00 0.00 C ATOM 1423 O SER 1 88 -3.136 -15.408 -17.442 1.00 0.00 O ATOM 1424 CB SER 1 88 -5.036 -17.409 -16.559 1.00 0.00 C ATOM 1425 OG SER 1 88 -5.433 -18.662 -16.026 1.00 0.00 O ATOM 0 H SER 1 88 -4.135 -16.821 -13.516 1.00 0.00 H new ATOM 0 HA SER 1 88 -3.207 -17.353 -15.431 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -5.914 -16.784 -16.721 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -4.565 -17.556 -17.531 1.00 0.00 H new ATOM 0 HG SER 1 88 -6.056 -19.098 -16.644 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.456 -14.309 -15.481 1.00 0.00 N ATOM 1432 CA LYS 1 89 -2.953 -13.038 -15.967 1.00 0.00 C ATOM 1433 C LYS 1 89 -1.858 -12.515 -15.057 1.00 0.00 C ATOM 1434 O LYS 1 89 -1.819 -12.795 -13.858 1.00 0.00 O ATOM 1435 CB LYS 1 89 -4.058 -11.974 -16.138 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.214 -12.042 -15.143 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.214 -10.925 -15.395 1.00 0.00 C ATOM 1438 CE LYS 1 89 -7.548 -11.192 -14.715 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -8.345 -12.224 -15.437 1.00 0.00 N ATOM 0 H LYS 1 89 -3.757 -14.294 -14.507 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.543 -13.228 -16.959 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.599 -10.988 -16.065 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.466 -12.062 -17.145 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.713 -13.008 -15.225 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.829 -11.968 -14.126 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.804 -9.982 -15.032 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.370 -10.813 -16.468 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -7.374 -11.520 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -8.119 -10.265 -14.660 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -9.227 -11.799 -15.787 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -7.794 -12.589 -16.240 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -8.571 -13.005 -14.788 1.00 0.00 H new ATOM 1453 N THR 1 90 -0.988 -11.746 -15.672 1.00 0.00 N ATOM 1454 CA THR 1 90 0.177 -11.134 -15.020 1.00 0.00 C ATOM 1455 C THR 1 90 -0.209 -9.866 -14.239 1.00 0.00 C ATOM 1456 O THR 1 90 -0.820 -8.949 -14.796 1.00 0.00 O ATOM 1457 CB THR 1 90 1.263 -10.787 -16.071 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.337 -11.822 -17.060 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.640 -10.617 -15.432 1.00 0.00 C ATOM 0 H THR 1 90 -1.061 -11.516 -16.663 1.00 0.00 H new ATOM 0 HA THR 1 90 0.573 -11.862 -14.312 1.00 0.00 H new ATOM 0 HB THR 1 90 0.977 -9.841 -16.531 1.00 0.00 H new ATOM 0 HG1 THR 1 90 2.024 -11.594 -17.721 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.371 -10.375 -16.203 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.604 -9.811 -14.699 1.00 0.00 H new ATOM 0 HG23 THR 1 90 2.928 -11.544 -14.937 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.165 -9.833 -12.952 1.00 0.00 N ATOM 1468 CA ILE 1 91 -0.124 -8.688 -12.073 1.00 0.00 C ATOM 1469 C ILE 1 91 1.172 -7.938 -11.709 1.00 0.00 C ATOM 1470 O ILE 1 91 2.263 -8.401 -12.063 1.00 0.00 O ATOM 1471 CB ILE 1 91 -0.966 -9.116 -10.832 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.258 -10.123 -9.925 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.296 -9.695 -11.309 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -0.935 -10.296 -8.573 1.00 0.00 C ATOM 0 H ILE 1 91 0.671 -10.590 -12.493 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.747 -7.979 -12.618 1.00 0.00 H new ATOM 0 HB ILE 1 91 -1.121 -8.222 -10.229 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.216 -11.089 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.771 -9.800 -9.769 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.891 -9.997 -10.447 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.838 -8.940 -11.878 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.109 -10.562 -11.943 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.382 -11.024 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -0.953 -9.340 -8.050 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -1.956 -10.648 -8.720 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.067 -6.786 -11.019 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.253 -5.988 -10.717 1.00 0.00 C ATOM 1488 C ASP 1 92 2.578 -5.872 -9.208 1.00 0.00 C ATOM 1489 O ASP 1 92 2.180 -4.891 -8.565 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.062 -4.597 -11.329 1.00 0.00 C ATOM 1491 CG ASP 1 92 3.372 -3.860 -11.567 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 3.930 -3.311 -10.594 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 3.834 -3.831 -12.728 1.00 0.00 O ATOM 0 H ASP 1 92 0.190 -6.400 -10.670 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.110 -6.503 -11.152 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 1.530 -4.694 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 1.432 -4.001 -10.669 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.272 -6.881 -8.601 1.00 0.00 N ATOM 1499 CA PRO 1 93 3.694 -6.806 -7.197 1.00 0.00 C ATOM 1500 C PRO 1 93 5.014 -6.036 -7.048 1.00 0.00 C ATOM 1501 O PRO 1 93 6.018 -6.399 -7.672 1.00 0.00 O ATOM 1502 CB PRO 1 93 3.871 -8.282 -6.784 1.00 0.00 C ATOM 1503 CG PRO 1 93 3.553 -9.101 -8.001 1.00 0.00 C ATOM 1504 CD PRO 1 93 3.656 -8.179 -9.185 1.00 0.00 C ATOM 0 HA PRO 1 93 2.973 -6.275 -6.576 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 4.889 -8.471 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.206 -8.537 -5.959 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 4.249 -9.934 -8.099 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 2.553 -9.528 -7.929 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 4.664 -8.158 -9.598 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 2.987 -8.476 -9.992 1.00 0.00 H new ATOM 1512 N LYS 1 94 5.011 -4.975 -6.224 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.229 -4.165 -6.008 1.00 0.00 C ATOM 1514 C LYS 1 94 6.260 -3.522 -4.618 1.00 0.00 C ATOM 1515 O LYS 1 94 5.221 -3.155 -4.068 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.419 -3.095 -7.118 1.00 0.00 C ATOM 1517 CG LYS 1 94 5.239 -2.136 -7.343 1.00 0.00 C ATOM 1518 CD LYS 1 94 5.366 -0.861 -6.511 1.00 0.00 C ATOM 1519 CE LYS 1 94 4.745 0.332 -7.223 1.00 0.00 C ATOM 1520 NZ LYS 1 94 5.634 0.860 -8.297 1.00 0.00 N ATOM 0 H LYS 1 94 4.194 -4.659 -5.702 1.00 0.00 H new ATOM 0 HA LYS 1 94 7.069 -4.857 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 7.301 -2.502 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 6.628 -3.608 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 5.182 -1.874 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 4.308 -2.642 -7.089 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 4.879 -1.004 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 6.418 -0.659 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 3.788 0.040 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 4.541 1.121 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 5.176 1.672 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 6.538 1.162 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 5.808 0.115 -9.001 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.483 -3.356 -4.090 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.716 -2.781 -2.756 1.00 0.00 C ATOM 1536 C VAL 1 95 7.650 -1.244 -2.775 1.00 0.00 C ATOM 1537 O VAL 1 95 8.109 -0.605 -3.726 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.084 -3.217 -2.179 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.135 -3.038 -0.662 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.427 -4.659 -2.547 1.00 0.00 C ATOM 0 H VAL 1 95 8.340 -3.617 -4.577 1.00 0.00 H new ATOM 0 HA VAL 1 95 6.919 -3.162 -2.118 1.00 0.00 H new ATOM 0 HB VAL 1 95 9.832 -2.566 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.110 -3.354 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 8.975 -1.989 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.356 -3.643 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.395 -4.923 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.662 -5.327 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.469 -4.758 -3.632 1.00 0.00 H new ATOM 1550 N ALA 1 96 7.066 -0.674 -1.709 1.00 0.00 N ATOM 1551 CA ALA 1 96 6.933 0.776 -1.543 1.00 0.00 C ATOM 1552 C ALA 1 96 8.266 1.434 -1.148 1.00 0.00 C ATOM 1553 O ALA 1 96 9.165 0.761 -0.635 1.00 0.00 O ATOM 1554 CB ALA 1 96 5.863 1.089 -0.505 1.00 0.00 C ATOM 0 H ALA 1 96 6.672 -1.211 -0.937 1.00 0.00 H new ATOM 0 HA ALA 1 96 6.635 1.192 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 5.773 2.169 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 4.908 0.678 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 6.142 0.644 0.450 1.00 0.00 H new ATOM 1560 N PHE 1 97 8.374 2.749 -1.391 1.00 0.00 N ATOM 1561 CA PHE 1 97 9.577 3.516 -1.086 1.00 0.00 C ATOM 1562 C PHE 1 97 9.355 4.458 0.118 1.00 0.00 C ATOM 1563 O PHE 1 97 8.395 5.235 0.108 1.00 0.00 O ATOM 1564 CB PHE 1 97 9.963 4.326 -2.322 1.00 0.00 C ATOM 1565 CG PHE 1 97 10.987 3.652 -3.191 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 10.614 2.662 -4.091 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 12.324 4.004 -3.106 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 11.556 2.038 -4.887 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 13.271 3.384 -3.900 1.00 0.00 C ATOM 1570 CZ PHE 1 97 12.887 2.400 -4.791 1.00 0.00 C ATOM 0 H PHE 1 97 7.626 3.305 -1.805 1.00 0.00 H new ATOM 0 HA PHE 1 97 10.379 2.828 -0.818 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 9.068 4.519 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 10.350 5.294 -2.005 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 9.575 2.376 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 12.630 4.772 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 11.253 1.269 -5.582 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 14.310 3.669 -3.824 1.00 0.00 H new ATOM 0 HZ PHE 1 97 13.626 1.914 -5.412 1.00 0.00 H new ATOM 1580 N PRO 1 98 10.222 4.406 1.187 1.00 0.00 N ATOM 1581 CA PRO 1 98 10.086 5.281 2.373 1.00 0.00 C ATOM 1582 C PRO 1 98 10.624 6.699 2.145 1.00 0.00 C ATOM 1583 O PRO 1 98 11.421 6.929 1.232 1.00 0.00 O ATOM 1584 CB PRO 1 98 10.930 4.573 3.453 1.00 0.00 C ATOM 1585 CG PRO 1 98 11.386 3.285 2.843 1.00 0.00 C ATOM 1586 CD PRO 1 98 11.370 3.494 1.360 1.00 0.00 C ATOM 0 HA PRO 1 98 9.037 5.414 2.638 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 11.781 5.187 3.748 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 10.341 4.392 4.352 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 12.386 3.024 3.188 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 10.727 2.465 3.127 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 12.299 3.936 1.001 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 11.232 2.558 0.818 1.00 0.00 H new ATOM 1594 N ARG 1 99 10.177 7.634 2.994 1.00 0.00 N ATOM 1595 CA ARG 1 99 10.595 9.041 2.916 1.00 0.00 C ATOM 1596 C ARG 1 99 11.621 9.367 4.001 1.00 0.00 C ATOM 1597 O ARG 1 99 11.464 8.950 5.152 1.00 0.00 O ATOM 1598 CB ARG 1 99 9.380 9.959 3.062 1.00 0.00 C ATOM 1599 CG ARG 1 99 8.541 10.065 1.797 1.00 0.00 C ATOM 1600 CD ARG 1 99 7.092 10.386 2.120 1.00 0.00 C ATOM 1601 NE ARG 1 99 6.303 10.645 0.910 1.00 0.00 N ATOM 1602 CZ ARG 1 99 4.987 10.422 0.795 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 4.280 9.931 1.812 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 4.374 10.699 -0.348 1.00 0.00 N ATOM 0 H ARG 1 99 9.520 7.439 3.749 1.00 0.00 H new ATOM 0 HA ARG 1 99 11.057 9.204 1.942 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 8.753 9.591 3.874 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 9.720 10.955 3.347 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 8.952 10.840 1.150 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 8.593 9.127 1.244 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 6.650 9.555 2.670 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 7.051 11.258 2.773 1.00 0.00 H new ATOM 0 HE ARG 1 99 6.792 11.022 0.098 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 4.740 9.718 2.697 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 3.279 9.768 1.705 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 4.904 11.079 -1.132 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 3.372 10.532 -0.443 1.00 0.00 H new ATOM 1618 N ARG 1 100 12.667 10.113 3.624 1.00 0.00 N ATOM 1619 CA ARG 1 100 13.728 10.499 4.560 1.00 0.00 C ATOM 1620 C ARG 1 100 13.580 11.963 5.003 1.00 0.00 C ATOM 1621 O ARG 1 100 12.776 12.712 4.439 1.00 0.00 O ATOM 1622 CB ARG 1 100 15.104 10.260 3.925 1.00 0.00 C ATOM 1623 CG ARG 1 100 16.114 9.675 4.898 1.00 0.00 C ATOM 1624 CD ARG 1 100 17.469 9.456 4.248 1.00 0.00 C ATOM 1625 NE ARG 1 100 18.417 8.827 5.175 1.00 0.00 N ATOM 1626 CZ ARG 1 100 19.477 8.094 4.809 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 19.756 7.878 3.526 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 20.261 7.569 5.741 1.00 0.00 N ATOM 0 H ARG 1 100 12.800 10.462 2.675 1.00 0.00 H new ATOM 0 HA ARG 1 100 13.638 9.877 5.450 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 14.994 9.586 3.076 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 15.487 11.203 3.536 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 16.225 10.344 5.751 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 15.739 8.727 5.283 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 17.352 8.828 3.364 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 17.870 10.412 3.910 1.00 0.00 H new ATOM 0 HE ARG 1 100 18.257 8.958 6.174 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 19.158 8.273 2.800 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 20.568 7.317 3.268 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 20.055 7.725 6.728 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 21.070 7.010 5.471 1.00 0.00 H new ATOM 1642 N ALA 1 101 14.360 12.353 6.027 1.00 0.00 N ATOM 1643 CA ALA 1 101 14.335 13.704 6.582 1.00 0.00 C ATOM 1644 C ALA 1 101 15.184 14.698 5.768 1.00 0.00 C ATOM 1645 O ALA 1 101 15.850 14.314 4.803 1.00 0.00 O ATOM 1646 CB ALA 1 101 14.798 13.666 8.037 1.00 0.00 C ATOM 0 H ALA 1 101 15.025 11.733 6.489 1.00 0.00 H new ATOM 0 HA ALA 1 101 13.307 14.063 6.530 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 14.779 14.674 8.451 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 14.132 13.024 8.614 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 15.813 13.273 8.086 1.00 0.00 H new ATOM 1652 N GLN 1 102 15.144 15.989 6.183 1.00 0.00 N ATOM 1653 CA GLN 1 102 15.892 17.099 5.541 1.00 0.00 C ATOM 1654 C GLN 1 102 15.430 17.372 4.095 1.00 0.00 C ATOM 1655 O GLN 1 102 15.272 16.431 3.313 1.00 0.00 O ATOM 1656 CB GLN 1 102 17.413 16.858 5.568 1.00 0.00 C ATOM 1657 CG GLN 1 102 18.041 17.088 6.934 1.00 0.00 C ATOM 1658 CD GLN 1 102 19.556 17.008 6.901 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 20.136 15.936 7.072 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 20.204 18.147 6.682 1.00 0.00 N ATOM 0 H GLN 1 102 14.586 16.292 6.981 1.00 0.00 H new ATOM 0 HA GLN 1 102 15.668 17.985 6.135 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 17.616 15.835 5.251 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 17.890 17.517 4.842 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 17.741 18.067 7.308 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 17.657 16.347 7.636 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 19.682 19.013 6.545 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 21.223 18.156 6.650 1.00 0.00 H new ATOM 1669 N PRO 1 103 15.199 18.674 3.720 1.00 0.00 N ATOM 1670 CA PRO 1 103 14.761 19.049 2.359 1.00 0.00 C ATOM 1671 C PRO 1 103 15.902 19.013 1.320 1.00 0.00 C ATOM 1672 O PRO 1 103 17.023 18.606 1.640 1.00 0.00 O ATOM 1673 CB PRO 1 103 14.226 20.478 2.555 1.00 0.00 C ATOM 1674 CG PRO 1 103 15.009 21.035 3.694 1.00 0.00 C ATOM 1675 CD PRO 1 103 15.325 19.872 4.599 1.00 0.00 C ATOM 0 HA PRO 1 103 14.025 18.352 1.958 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 14.361 21.076 1.654 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 13.159 20.472 2.776 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 15.923 21.512 3.341 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 14.436 21.796 4.224 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 16.328 19.955 5.017 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 14.633 19.823 5.440 1.00 0.00 H new ATOM 1683 N LYS 1 104 15.602 19.451 0.081 1.00 0.00 N ATOM 1684 CA LYS 1 104 16.584 19.468 -1.017 1.00 0.00 C ATOM 1685 C LYS 1 104 17.513 20.682 -0.932 1.00 0.00 C ATOM 1686 O LYS 1 104 17.088 21.775 -0.548 1.00 0.00 O ATOM 1687 CB LYS 1 104 15.871 19.469 -2.373 1.00 0.00 C ATOM 1688 CG LYS 1 104 15.258 18.129 -2.754 1.00 0.00 C ATOM 1689 CD LYS 1 104 14.531 18.211 -4.087 1.00 0.00 C ATOM 1690 CE LYS 1 104 13.930 16.871 -4.478 1.00 0.00 C ATOM 1691 NZ LYS 1 104 13.199 16.946 -5.773 1.00 0.00 N ATOM 0 H LYS 1 104 14.681 19.799 -0.183 1.00 0.00 H new ATOM 0 HA LYS 1 104 17.189 18.567 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 15.085 20.225 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 16.582 19.764 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 16.040 17.372 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 14.562 17.811 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 13.742 18.961 -4.027 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 15.225 18.539 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 14.722 16.126 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 13.249 16.537 -3.696 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 12.804 16.012 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 12.427 17.639 -5.696 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 13.854 17.240 -6.525 1.00 0.00 H new ATOM 1705 N MET 1 105 18.781 20.464 -1.300 1.00 0.00 N ATOM 1706 CA MET 1 105 19.805 21.516 -1.280 1.00 0.00 C ATOM 1707 C MET 1 105 19.944 22.192 -2.646 1.00 0.00 C ATOM 1708 O MET 1 105 19.563 21.619 -3.672 1.00 0.00 O ATOM 1709 CB MET 1 105 21.157 20.928 -0.855 1.00 0.00 C ATOM 1710 CG MET 1 105 21.219 20.508 0.605 1.00 0.00 C ATOM 1711 SD MET 1 105 21.089 21.906 1.736 1.00 0.00 S ATOM 1712 CE MET 1 105 21.350 21.088 3.307 1.00 0.00 C ATOM 0 H MET 1 105 19.125 19.558 -1.619 1.00 0.00 H new ATOM 0 HA MET 1 105 19.490 22.270 -0.559 1.00 0.00 H new ATOM 0 HB2 MET 1 105 21.378 20.063 -1.481 1.00 0.00 H new ATOM 0 HB3 MET 1 105 21.937 21.665 -1.043 1.00 0.00 H new ATOM 0 HG2 MET 1 105 20.413 19.803 0.811 1.00 0.00 H new ATOM 0 HG3 MET 1 105 22.157 19.983 0.789 1.00 0.00 H new ATOM 0 HE1 MET 1 105 21.299 21.821 4.112 1.00 0.00 H new ATOM 0 HE2 MET 1 105 20.579 20.332 3.456 1.00 0.00 H new ATOM 0 HE3 MET 1 105 22.331 20.612 3.311 1.00 0.00 H new ATOM 1722 N VAL 1 106 20.488 23.414 -2.640 1.00 0.00 N ATOM 1723 CA VAL 1 106 20.704 24.179 -3.870 1.00 0.00 C ATOM 1724 C VAL 1 106 22.204 24.199 -4.201 1.00 0.00 C ATOM 1725 O VAL 1 106 22.610 23.786 -5.292 1.00 0.00 O ATOM 1726 CB VAL 1 106 20.141 25.636 -3.760 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 20.241 26.383 -5.090 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 18.693 25.631 -3.279 1.00 0.00 C ATOM 0 H VAL 1 106 20.788 23.895 -1.792 1.00 0.00 H new ATOM 0 HA VAL 1 106 20.159 23.690 -4.677 1.00 0.00 H new ATOM 0 HB VAL 1 106 20.756 26.158 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 19.840 27.390 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 21.285 26.441 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 19.669 25.851 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 18.328 26.656 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 18.077 25.072 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 18.637 25.161 -2.297 1.00 0.00 H new ATOM 1738 N THR 1 107 23.011 24.690 -3.251 1.00 0.00 N ATOM 1739 CA THR 1 107 24.450 24.761 -3.401 1.00 0.00 C ATOM 1740 C THR 1 107 25.110 23.577 -2.675 1.00 0.00 C ATOM 1741 O THR 1 107 25.362 23.633 -1.465 1.00 0.00 O ATOM 1742 CB THR 1 107 25.006 26.109 -2.868 1.00 0.00 C ATOM 1743 OG1 THR 1 107 24.117 27.179 -3.211 1.00 0.00 O ATOM 1744 CG2 THR 1 107 26.392 26.414 -3.436 1.00 0.00 C ATOM 0 H THR 1 107 22.672 25.047 -2.358 1.00 0.00 H new ATOM 0 HA THR 1 107 24.688 24.704 -4.463 1.00 0.00 H new ATOM 0 HB THR 1 107 25.088 26.020 -1.785 1.00 0.00 H new ATOM 0 HG1 THR 1 107 24.476 28.025 -2.869 1.00 0.00 H new ATOM 0 HG21 THR 1 107 26.747 27.365 -3.039 1.00 0.00 H new ATOM 0 HG22 THR 1 107 27.084 25.622 -3.152 1.00 0.00 H new ATOM 0 HG23 THR 1 107 26.335 26.473 -4.523 1.00 0.00 H new ATOM 1752 N ARG 1 108 25.363 22.504 -3.430 1.00 0.00 N ATOM 1753 CA ARG 1 108 25.982 21.290 -2.889 1.00 0.00 C ATOM 1754 C ARG 1 108 27.502 21.318 -3.033 1.00 0.00 C ATOM 1755 O ARG 1 108 28.032 21.845 -4.015 1.00 0.00 O ATOM 1756 CB ARG 1 108 25.414 20.052 -3.586 1.00 0.00 C ATOM 1757 CG ARG 1 108 24.144 19.522 -2.941 1.00 0.00 C ATOM 1758 CD ARG 1 108 23.572 18.345 -3.713 1.00 0.00 C ATOM 1759 NE ARG 1 108 22.559 17.619 -2.937 1.00 0.00 N ATOM 1760 CZ ARG 1 108 21.399 17.166 -3.431 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 21.072 17.351 -4.708 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 20.560 16.517 -2.634 1.00 0.00 N ATOM 0 H ARG 1 108 25.147 22.452 -4.425 1.00 0.00 H new ATOM 0 HA ARG 1 108 25.748 21.247 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 25.209 20.294 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 26.169 19.265 -3.584 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 24.356 19.217 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 23.402 20.319 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 23.129 18.702 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 24.378 17.663 -3.985 1.00 0.00 H new ATOM 0 HE ARG 1 108 22.752 17.447 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 21.710 17.846 -5.331 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 20.184 16.998 -5.063 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 20.801 16.367 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 19.674 16.168 -3.001 1.00 0.00 H new ATOM 1776 N THR 1 109 28.188 20.740 -2.039 1.00 0.00 N ATOM 1777 CA THR 1 109 29.653 20.680 -2.023 1.00 0.00 C ATOM 1778 C THR 1 109 30.160 19.357 -2.588 1.00 0.00 C ATOM 1779 O THR 1 109 29.546 18.306 -2.376 1.00 0.00 O ATOM 1780 CB THR 1 109 30.219 20.857 -0.597 1.00 0.00 C ATOM 1781 OG1 THR 1 109 29.516 20.011 0.323 1.00 0.00 O ATOM 1782 CG2 THR 1 109 30.118 22.307 -0.141 1.00 0.00 C ATOM 0 H THR 1 109 27.746 20.304 -1.229 1.00 0.00 H new ATOM 0 HA THR 1 109 30.000 21.502 -2.649 1.00 0.00 H new ATOM 0 HB THR 1 109 31.272 20.575 -0.617 1.00 0.00 H new ATOM 0 HG1 THR 1 109 29.884 20.130 1.223 1.00 0.00 H new ATOM 0 HG21 THR 1 109 30.524 22.401 0.866 1.00 0.00 H new ATOM 0 HG22 THR 1 109 30.685 22.943 -0.821 1.00 0.00 H new ATOM 0 HG23 THR 1 109 29.073 22.616 -0.141 1.00 0.00 H new ATOM 1790 N LYS 1 110 31.285 19.423 -3.313 1.00 0.00 N ATOM 1791 CA LYS 1 110 31.903 18.251 -3.921 1.00 0.00 C ATOM 1792 C LYS 1 110 33.427 18.308 -3.807 1.00 0.00 C ATOM 1793 O LYS 1 110 34.062 17.312 -3.446 1.00 0.00 O ATOM 1794 CB LYS 1 110 31.485 18.113 -5.391 1.00 0.00 C ATOM 1795 CG LYS 1 110 30.099 17.518 -5.580 1.00 0.00 C ATOM 1796 CD LYS 1 110 29.614 17.681 -7.012 1.00 0.00 C ATOM 1797 CE LYS 1 110 28.305 16.939 -7.249 1.00 0.00 C ATOM 1798 NZ LYS 1 110 28.512 15.471 -7.399 1.00 0.00 N ATOM 0 H LYS 1 110 31.787 20.293 -3.491 1.00 0.00 H new ATOM 0 HA LYS 1 110 31.553 17.374 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 31.516 19.096 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 32.212 17.488 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 30.117 16.460 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 29.398 18.002 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 29.478 18.740 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 30.374 17.308 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 27.627 17.126 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 27.824 17.330 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 27.596 15.006 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 29.138 15.290 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 28.947 15.092 -6.534 1.00 0.00 H new ATOM 1812 N LYS 1 111 34.004 19.481 -4.112 1.00 0.00 N ATOM 1813 CA LYS 1 111 35.445 19.690 -4.050 1.00 0.00 C ATOM 1814 C LYS 1 111 35.888 20.129 -2.652 1.00 0.00 C ATOM 1815 O LYS 1 111 35.422 21.192 -2.185 1.00 0.00 O ATOM 1816 CB LYS 1 111 35.882 20.724 -5.095 1.00 0.00 C ATOM 1817 CG LYS 1 111 35.997 20.160 -6.502 1.00 0.00 C ATOM 1818 CD LYS 1 111 36.295 21.251 -7.518 1.00 0.00 C ATOM 1819 CE LYS 1 111 36.589 20.670 -8.891 1.00 0.00 C ATOM 1820 NZ LYS 1 111 36.725 21.731 -9.927 1.00 0.00 N ATOM 1821 OXT LYS 1 111 36.697 19.403 -2.036 1.00 0.00 O ATOM 0 H LYS 1 111 33.479 20.305 -4.407 1.00 0.00 H new ATOM 0 HA LYS 1 111 35.928 18.738 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 35.167 21.547 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 36.845 21.141 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 36.787 19.409 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 35.068 19.656 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 35.445 21.930 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 37.148 21.840 -7.181 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 37.508 20.085 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 35.789 19.986 -9.175 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 36.925 21.293 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 35.840 22.274 -9.987 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 37.505 22.369 -9.670 1.00 0.00 H new TER 1835 LYS 1 111