USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 987 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.51) USER MOD Set 1.2: A 117 HIS : no HD1:sc= 0 X(o=-0.037,f=-0.037) USER MOD Set 2.1: A 45 MET CE :methyl -118:sc= -0.538 (180deg=-1.11) USER MOD Set 2.2: A 90 TYR OH : rot 90:sc= -0.055 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0.377 USER MOD Set 3.2: A 103 THR OG1 : rot -65:sc= 0.415 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 36 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0934) USER MOD Set 5.1: A 5 LYS NZ :NH3+ 177:sc= 0.794 (180deg=0) USER MOD Set 5.2: A 24 GLN : amide:sc= 0.702 K(o=1.5,f=-1.6) USER MOD Set 6.1: A 17 LYS NZ :NH3+ 180:sc= 0.237 (180deg=0) USER MOD Set 6.2: A 19 TYR OH : rot 151:sc= -0.0732 USER MOD Set 7.1: A 13 THR OG1 : rot 180:sc= 0.235 USER MOD Set 7.2: A 18 THR OG1 : rot -61:sc= 0.243 USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.87 (180deg=-1.82) USER MOD Single : A 2 SER OG : rot 180:sc= -0.129 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.818 K(o=0.82,f=-1.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.667 K(o=0.67,f=-1.2) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 0:sc= 0.947 USER MOD Single : A 26 TYR OH : rot -57:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0.78 (180deg=0.71) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00643 K(o=-0.0064,f=-1.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-1.8) USER MOD Single : A 65 SER OG : rot -63:sc= 0.843 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc=-0.00862 X(o=-0.0086,f=0.0023) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 61:sc= 0.705 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 115 HIS : no HD1:sc= 0.879 K(o=0.88,f=-2.7!) USER MOD Single : A 118 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.031) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.398 1.563 4.495 1.00 0.00 N ATOM 2 CA MET A 1 17.214 2.629 5.501 1.00 0.00 C ATOM 3 C MET A 1 18.582 3.238 5.853 1.00 0.00 C ATOM 4 O MET A 1 19.040 3.120 6.994 1.00 0.00 O ATOM 5 CB MET A 1 16.530 2.081 6.753 1.00 0.00 C ATOM 6 CG MET A 1 16.219 3.131 7.810 1.00 0.00 C ATOM 7 SD MET A 1 15.360 2.444 9.240 1.00 0.00 S ATOM 8 CE MET A 1 13.676 2.398 8.633 1.00 0.00 C ATOM 0 H1 MET A 1 16.570 0.934 4.501 1.00 0.00 H new ATOM 0 H2 MET A 1 17.502 1.990 3.552 1.00 0.00 H new ATOM 0 H3 MET A 1 18.251 1.014 4.723 1.00 0.00 H new ATOM 0 HA MET A 1 16.572 3.405 5.085 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.601 1.592 6.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.168 1.316 7.195 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.148 3.597 8.138 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.608 3.917 7.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.021 1.995 9.406 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.355 3.407 8.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.625 1.764 7.748 1.00 0.00 H new ATOM 20 N SER A 2 19.234 3.860 4.850 1.00 0.00 N ATOM 21 CA SER A 2 20.341 4.804 5.065 1.00 0.00 C ATOM 22 C SER A 2 20.400 5.853 3.934 1.00 0.00 C ATOM 23 O SER A 2 21.344 6.655 3.863 1.00 0.00 O ATOM 24 CB SER A 2 21.655 4.056 5.165 1.00 0.00 C ATOM 25 OG SER A 2 21.984 3.408 3.967 1.00 0.00 O ATOM 0 H SER A 2 19.004 3.719 3.866 1.00 0.00 H new ATOM 0 HA SER A 2 20.165 5.330 6.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.450 4.754 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.594 3.322 5.969 1.00 0.00 H new ATOM 0 HG SER A 2 22.838 2.939 4.073 1.00 0.00 H new ATOM 31 N GLY A 3 19.379 5.834 3.055 1.00 0.00 N ATOM 32 CA GLY A 3 19.409 6.563 1.788 1.00 0.00 C ATOM 33 C GLY A 3 18.328 7.637 1.736 1.00 0.00 C ATOM 34 O GLY A 3 18.569 8.791 2.106 1.00 0.00 O ATOM 0 H GLY A 3 18.516 5.312 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.388 7.024 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.270 5.865 0.962 1.00 0.00 H new ATOM 38 N LYS A 4 17.141 7.255 1.247 1.00 0.00 N ATOM 39 CA LYS A 4 16.057 8.193 0.902 1.00 0.00 C ATOM 40 C LYS A 4 14.772 7.870 1.666 1.00 0.00 C ATOM 41 O LYS A 4 14.635 6.793 2.263 1.00 0.00 O ATOM 42 CB LYS A 4 15.787 8.172 -0.603 1.00 0.00 C ATOM 43 CG LYS A 4 16.927 8.714 -1.454 1.00 0.00 C ATOM 44 CD LYS A 4 16.582 8.670 -2.935 1.00 0.00 C ATOM 45 CE LYS A 4 17.718 9.217 -3.786 1.00 0.00 C ATOM 46 NZ LYS A 4 17.383 9.207 -5.236 1.00 0.00 N ATOM 0 H LYS A 4 16.901 6.278 1.077 1.00 0.00 H new ATOM 0 HA LYS A 4 16.383 9.192 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.578 7.147 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.889 8.755 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.147 9.740 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.829 8.130 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.367 7.643 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.677 9.250 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.947 10.236 -3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.616 8.623 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.184 9.588 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.190 8.232 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.541 9.795 -5.402 1.00 0.00 H new ATOM 60 N LYS A 5 13.840 8.843 1.656 1.00 0.00 N ATOM 61 CA LYS A 5 12.582 8.757 2.393 1.00 0.00 C ATOM 62 C LYS A 5 11.429 8.873 1.386 1.00 0.00 C ATOM 63 O LYS A 5 11.483 9.635 0.409 1.00 0.00 O ATOM 64 CB LYS A 5 12.490 9.849 3.460 1.00 0.00 C ATOM 65 CG LYS A 5 11.382 9.638 4.482 1.00 0.00 C ATOM 66 CD LYS A 5 11.664 10.398 5.769 1.00 0.00 C ATOM 67 CE LYS A 5 10.965 11.749 5.780 1.00 0.00 C ATOM 68 NZ LYS A 5 10.918 12.340 7.145 1.00 0.00 N ATOM 0 H LYS A 5 13.947 9.711 1.131 1.00 0.00 H new ATOM 0 HA LYS A 5 12.526 7.801 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.444 9.909 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.335 10.809 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.431 9.968 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.283 8.575 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.331 9.807 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.739 10.542 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.484 12.431 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.950 11.636 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.479 13.282 7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.357 11.726 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.884 12.426 7.520 1.00 0.00 H new ATOM 82 N VAL A 6 10.406 8.058 1.636 1.00 0.00 N ATOM 83 CA VAL A 6 9.089 8.137 0.991 1.00 0.00 C ATOM 84 C VAL A 6 8.029 7.987 2.087 1.00 0.00 C ATOM 85 O VAL A 6 8.232 7.249 3.062 1.00 0.00 O ATOM 86 CB VAL A 6 8.891 7.053 -0.085 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.234 5.680 0.474 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.461 7.073 -0.604 1.00 0.00 C ATOM 0 H VAL A 6 10.469 7.299 2.314 1.00 0.00 H new ATOM 0 HA VAL A 6 9.003 9.096 0.480 1.00 0.00 H new ATOM 0 HB VAL A 6 9.563 7.266 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.089 4.926 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.274 5.669 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.585 5.460 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.339 6.301 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.772 6.884 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.246 8.048 -1.040 1.00 0.00 H new ATOM 98 N GLU A 7 6.908 8.704 1.939 1.00 0.00 N ATOM 99 CA GLU A 7 5.766 8.578 2.850 1.00 0.00 C ATOM 100 C GLU A 7 4.644 7.823 2.121 1.00 0.00 C ATOM 101 O GLU A 7 4.370 8.060 0.938 1.00 0.00 O ATOM 102 CB GLU A 7 5.281 9.950 3.324 1.00 0.00 C ATOM 103 CG GLU A 7 6.227 10.654 4.285 1.00 0.00 C ATOM 104 CD GLU A 7 5.634 11.938 4.794 1.00 0.00 C ATOM 105 OE1 GLU A 7 4.551 12.276 4.379 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.208 12.524 5.682 1.00 0.00 O ATOM 0 H GLU A 7 6.768 9.382 1.190 1.00 0.00 H new ATOM 0 HA GLU A 7 6.069 8.023 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.126 10.588 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.312 9.832 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.451 9.996 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.171 10.862 3.782 1.00 0.00 H new ATOM 113 N VAL A 8 4.043 6.885 2.866 1.00 0.00 N ATOM 114 CA VAL A 8 2.956 6.006 2.421 1.00 0.00 C ATOM 115 C VAL A 8 1.721 6.247 3.309 1.00 0.00 C ATOM 116 O VAL A 8 1.757 5.990 4.519 1.00 0.00 O ATOM 117 CB VAL A 8 3.354 4.519 2.477 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.183 3.639 2.069 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.554 4.256 1.581 1.00 0.00 C ATOM 0 H VAL A 8 4.313 6.712 3.834 1.00 0.00 H new ATOM 0 HA VAL A 8 2.732 6.244 1.381 1.00 0.00 H new ATOM 0 HB VAL A 8 3.629 4.274 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.482 2.592 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.347 3.808 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.879 3.886 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.822 3.201 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.304 4.517 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.397 4.861 1.915 1.00 0.00 H new ATOM 129 N GLN A 9 0.635 6.759 2.704 1.00 0.00 N ATOM 130 CA GLN A 9 -0.610 7.061 3.426 1.00 0.00 C ATOM 131 C GLN A 9 -1.627 5.957 3.114 1.00 0.00 C ATOM 132 O GLN A 9 -2.031 5.788 1.967 1.00 0.00 O ATOM 133 CB GLN A 9 -1.169 8.429 3.027 1.00 0.00 C ATOM 134 CG GLN A 9 -2.417 8.839 3.790 1.00 0.00 C ATOM 135 CD GLN A 9 -2.795 10.287 3.549 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.026 11.054 2.960 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.980 10.673 4.006 1.00 0.00 N ATOM 0 H GLN A 9 0.597 6.973 1.708 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.406 7.097 4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.398 9.183 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.395 8.419 1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.247 8.196 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.255 8.682 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.583 10.006 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.287 11.637 3.876 1.00 0.00 H new ATOM 146 N VAL A 10 -2.020 5.212 4.155 1.00 0.00 N ATOM 147 CA VAL A 10 -2.861 4.016 4.025 1.00 0.00 C ATOM 148 C VAL A 10 -4.244 4.291 4.644 1.00 0.00 C ATOM 149 O VAL A 10 -4.343 4.623 5.831 1.00 0.00 O ATOM 150 CB VAL A 10 -2.224 2.788 4.705 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.133 1.576 4.574 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.857 2.495 4.104 1.00 0.00 C ATOM 0 H VAL A 10 -1.761 5.424 5.118 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.961 3.792 2.963 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.095 3.010 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.668 0.718 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.091 1.787 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.293 1.353 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.422 1.625 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.964 2.293 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.205 3.356 4.247 1.00 0.00 H new ATOM 162 N LYS A 11 -5.293 4.184 3.807 1.00 0.00 N ATOM 163 CA LYS A 11 -6.697 4.340 4.208 1.00 0.00 C ATOM 164 C LYS A 11 -7.401 2.999 3.971 1.00 0.00 C ATOM 165 O LYS A 11 -7.454 2.524 2.841 1.00 0.00 O ATOM 166 CB LYS A 11 -7.382 5.463 3.428 1.00 0.00 C ATOM 167 CG LYS A 11 -8.783 5.805 3.917 1.00 0.00 C ATOM 168 CD LYS A 11 -9.507 6.712 2.933 1.00 0.00 C ATOM 169 CE LYS A 11 -10.872 7.127 3.463 1.00 0.00 C ATOM 170 NZ LYS A 11 -11.574 8.048 2.528 1.00 0.00 N ATOM 0 H LYS A 11 -5.182 3.982 2.813 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.752 4.617 5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.762 6.358 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.437 5.178 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.355 4.888 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.722 6.295 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.904 7.600 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.626 6.196 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.483 6.239 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.753 7.614 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.499 8.307 2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.003 8.907 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.711 7.575 1.612 1.00 0.00 H new ATOM 184 N ILE A 12 -7.948 2.385 5.027 1.00 0.00 N ATOM 185 CA ILE A 12 -8.656 1.095 4.909 1.00 0.00 C ATOM 186 C ILE A 12 -10.052 1.174 5.552 1.00 0.00 C ATOM 187 O ILE A 12 -10.221 1.720 6.644 1.00 0.00 O ATOM 188 CB ILE A 12 -7.862 -0.050 5.565 1.00 0.00 C ATOM 189 CG1 ILE A 12 -8.591 -1.383 5.373 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.644 0.233 7.044 1.00 0.00 C ATOM 191 CD1 ILE A 12 -7.758 -2.592 5.734 1.00 0.00 C ATOM 0 H ILE A 12 -7.916 2.758 5.976 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.758 0.886 3.844 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.887 -0.118 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.496 -1.382 5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.906 -1.468 4.333 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.081 -0.586 7.492 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.086 1.162 7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.609 0.326 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.342 -3.498 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.866 -2.619 5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.465 -2.532 6.782 1.00 0.00 H new ATOM 203 N THR A 13 -11.053 0.637 4.839 1.00 0.00 N ATOM 204 CA THR A 13 -12.423 0.537 5.335 1.00 0.00 C ATOM 205 C THR A 13 -12.732 -0.944 5.662 1.00 0.00 C ATOM 206 O THR A 13 -12.466 -1.846 4.855 1.00 0.00 O ATOM 207 CB THR A 13 -13.444 1.073 4.313 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.196 2.464 4.072 1.00 0.00 O ATOM 209 CG2 THR A 13 -14.862 0.896 4.833 1.00 0.00 C ATOM 0 H THR A 13 -10.929 0.260 3.899 1.00 0.00 H new ATOM 0 HA THR A 13 -12.509 1.150 6.232 1.00 0.00 H new ATOM 0 HB THR A 13 -13.337 0.512 3.385 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.845 2.804 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.570 1.280 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.057 -0.162 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.977 1.443 5.768 1.00 0.00 H new ATOM 217 N CYS A 14 -13.234 -1.172 6.891 1.00 0.00 N ATOM 218 CA CYS A 14 -13.508 -2.506 7.455 1.00 0.00 C ATOM 219 C CYS A 14 -14.757 -2.439 8.342 1.00 0.00 C ATOM 220 O CYS A 14 -14.764 -1.714 9.344 1.00 0.00 O ATOM 221 CB CYS A 14 -12.311 -2.985 8.290 1.00 0.00 C ATOM 222 SG CYS A 14 -12.553 -4.606 9.105 1.00 0.00 S ATOM 0 H CYS A 14 -13.465 -0.415 7.534 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.674 -3.209 6.639 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.435 -3.044 7.645 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.095 -2.238 9.053 1.00 0.00 H new ATOM 227 N ASN A 15 -15.807 -3.199 7.947 1.00 0.00 N ATOM 228 CA ASN A 15 -17.143 -3.209 8.595 1.00 0.00 C ATOM 229 C ASN A 15 -17.865 -1.850 8.460 1.00 0.00 C ATOM 230 O ASN A 15 -18.798 -1.549 9.220 1.00 0.00 O ATOM 231 CB ASN A 15 -17.044 -3.597 10.058 1.00 0.00 C ATOM 232 CG ASN A 15 -16.741 -5.054 10.279 1.00 0.00 C ATOM 233 OD1 ASN A 15 -17.083 -5.912 9.456 1.00 0.00 O ATOM 234 ND2 ASN A 15 -16.173 -5.346 11.421 1.00 0.00 N ATOM 0 H ASN A 15 -15.748 -3.836 7.152 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.735 -3.959 8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.267 -2.998 10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.983 -3.351 10.554 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.993 -6.319 11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.910 -4.600 12.065 1.00 0.00 H new ATOM 241 N GLY A 16 -17.460 -1.072 7.438 1.00 0.00 N ATOM 242 CA GLY A 16 -18.020 0.258 7.186 1.00 0.00 C ATOM 243 C GLY A 16 -17.328 1.371 7.979 1.00 0.00 C ATOM 244 O GLY A 16 -17.761 2.529 7.940 1.00 0.00 O ATOM 0 H GLY A 16 -16.740 -1.351 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.944 0.480 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.081 0.250 7.435 1.00 0.00 H new ATOM 248 N LYS A 17 -16.250 1.009 8.705 1.00 0.00 N ATOM 249 CA LYS A 17 -15.454 1.937 9.533 1.00 0.00 C ATOM 250 C LYS A 17 -14.081 2.135 8.881 1.00 0.00 C ATOM 251 O LYS A 17 -13.418 1.157 8.534 1.00 0.00 O ATOM 252 CB LYS A 17 -15.300 1.415 10.961 1.00 0.00 C ATOM 253 CG LYS A 17 -14.569 2.362 11.903 1.00 0.00 C ATOM 254 CD LYS A 17 -14.452 1.773 13.301 1.00 0.00 C ATOM 255 CE LYS A 17 -13.593 2.649 14.201 1.00 0.00 C ATOM 256 NZ LYS A 17 -13.330 2.004 15.517 1.00 0.00 N ATOM 0 H LYS A 17 -15.904 0.050 8.732 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.974 2.893 9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.290 1.210 11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.764 0.466 10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.574 2.572 11.510 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.100 3.313 11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.445 1.665 13.736 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.019 0.774 13.242 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.646 2.861 13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.091 3.606 14.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.742 2.633 16.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.232 1.825 16.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.832 1.103 15.369 1.00 0.00 H new ATOM 270 N THR A 18 -13.641 3.392 8.768 1.00 0.00 N ATOM 271 CA THR A 18 -12.396 3.750 8.063 1.00 0.00 C ATOM 272 C THR A 18 -11.273 4.015 9.078 1.00 0.00 C ATOM 273 O THR A 18 -11.445 4.793 10.020 1.00 0.00 O ATOM 274 CB THR A 18 -12.579 4.990 7.170 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.528 4.703 6.135 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.254 5.393 6.539 1.00 0.00 C ATOM 0 H THR A 18 -14.134 4.193 9.161 1.00 0.00 H new ATOM 0 HA THR A 18 -12.130 2.908 7.424 1.00 0.00 H new ATOM 0 HB THR A 18 -12.942 5.812 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.193 3.969 5.579 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.402 6.271 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.533 5.625 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.876 4.572 5.930 1.00 0.00 H new ATOM 284 N TYR A 19 -10.132 3.343 8.876 1.00 0.00 N ATOM 285 CA TYR A 19 -8.900 3.558 9.642 1.00 0.00 C ATOM 286 C TYR A 19 -7.846 4.107 8.666 1.00 0.00 C ATOM 287 O TYR A 19 -7.504 3.435 7.684 1.00 0.00 O ATOM 288 CB TYR A 19 -8.396 2.215 10.267 1.00 0.00 C ATOM 289 CG TYR A 19 -9.363 1.550 11.267 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.472 0.810 10.825 1.00 0.00 C ATOM 291 CD2 TYR A 19 -9.166 1.654 12.647 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.345 0.212 11.714 1.00 0.00 C ATOM 293 CE2 TYR A 19 -10.040 1.053 13.539 1.00 0.00 C ATOM 294 CZ TYR A 19 -11.122 0.332 13.070 1.00 0.00 C ATOM 295 OH TYR A 19 -11.991 -0.262 13.958 1.00 0.00 O ATOM 0 H TYR A 19 -10.039 2.621 8.161 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.081 4.257 10.459 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.194 1.511 9.460 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.448 2.402 10.772 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -10.647 0.706 9.764 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.321 2.211 13.023 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.195 -0.345 11.350 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.875 1.148 14.602 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.508 -0.505 14.775 1.00 0.00 H new ATOM 305 N GLU A 20 -7.340 5.325 8.904 1.00 0.00 N ATOM 306 CA GLU A 20 -6.400 5.988 7.978 1.00 0.00 C ATOM 307 C GLU A 20 -5.215 6.579 8.751 1.00 0.00 C ATOM 308 O GLU A 20 -5.398 7.231 9.788 1.00 0.00 O ATOM 309 CB GLU A 20 -7.106 7.084 7.177 1.00 0.00 C ATOM 310 CG GLU A 20 -6.209 7.821 6.193 1.00 0.00 C ATOM 311 CD GLU A 20 -6.992 8.807 5.372 1.00 0.00 C ATOM 312 OE1 GLU A 20 -8.165 8.955 5.616 1.00 0.00 O ATOM 313 OE2 GLU A 20 -6.395 9.494 4.577 1.00 0.00 O ATOM 0 H GLU A 20 -7.565 5.876 9.732 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.027 5.238 7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.937 6.639 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.533 7.807 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.421 8.342 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.721 7.103 5.534 1.00 0.00 H new ATOM 320 N ARG A 21 -3.999 6.308 8.247 1.00 0.00 N ATOM 321 CA ARG A 21 -2.748 6.738 8.888 1.00 0.00 C ATOM 322 C ARG A 21 -1.644 6.903 7.831 1.00 0.00 C ATOM 323 O ARG A 21 -1.551 6.110 6.885 1.00 0.00 O ATOM 324 CB ARG A 21 -2.320 5.806 10.012 1.00 0.00 C ATOM 325 CG ARG A 21 -1.119 6.280 10.813 1.00 0.00 C ATOM 326 CD ARG A 21 -0.812 5.451 12.006 1.00 0.00 C ATOM 327 NE ARG A 21 0.321 5.917 12.790 1.00 0.00 N ATOM 328 CZ ARG A 21 0.538 5.602 14.082 1.00 0.00 C ATOM 329 NH1 ARG A 21 -0.313 4.855 14.750 1.00 0.00 N ATOM 330 NH2 ARG A 21 1.620 6.087 14.669 1.00 0.00 N ATOM 0 H ARG A 21 -3.857 5.784 7.383 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.928 7.706 9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.161 5.670 10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.092 4.828 9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.246 6.295 10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.294 7.307 11.134 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.693 5.420 12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.617 4.429 11.682 1.00 0.00 H new ATOM 0 HE ARG A 21 0.999 6.525 12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.153 4.504 14.291 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.133 4.626 15.728 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.262 6.681 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.812 5.867 15.646 1.00 0.00 H new ATOM 344 N THR A 22 -0.822 7.942 8.018 1.00 0.00 N ATOM 345 CA THR A 22 0.355 8.223 7.205 1.00 0.00 C ATOM 346 C THR A 22 1.617 7.603 7.860 1.00 0.00 C ATOM 347 O THR A 22 1.866 7.802 9.054 1.00 0.00 O ATOM 348 CB THR A 22 0.559 9.737 7.013 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.581 10.296 6.347 1.00 0.00 O ATOM 350 CG2 THR A 22 1.807 10.006 6.187 1.00 0.00 C ATOM 0 H THR A 22 -0.966 8.626 8.761 1.00 0.00 H new ATOM 0 HA THR A 22 0.196 7.775 6.224 1.00 0.00 H new ATOM 0 HB THR A 22 0.678 10.199 7.993 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.450 11.260 6.227 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.935 11.081 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.677 9.594 6.698 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.704 9.536 5.209 1.00 0.00 H new ATOM 358 N TYR A 23 2.390 6.838 7.070 1.00 0.00 N ATOM 359 CA TYR A 23 3.629 6.172 7.522 1.00 0.00 C ATOM 360 C TYR A 23 4.846 6.746 6.780 1.00 0.00 C ATOM 361 O TYR A 23 4.750 7.070 5.598 1.00 0.00 O ATOM 362 CB TYR A 23 3.544 4.660 7.306 1.00 0.00 C ATOM 363 CG TYR A 23 2.387 4.002 8.024 1.00 0.00 C ATOM 364 CD1 TYR A 23 2.511 3.584 9.340 1.00 0.00 C ATOM 365 CD2 TYR A 23 1.173 3.799 7.382 1.00 0.00 C ATOM 366 CE1 TYR A 23 1.457 2.982 10.000 1.00 0.00 C ATOM 367 CE2 TYR A 23 0.112 3.199 8.032 1.00 0.00 C ATOM 368 CZ TYR A 23 0.259 2.792 9.343 1.00 0.00 C ATOM 369 OH TYR A 23 -0.794 2.192 9.995 1.00 0.00 O ATOM 0 H TYR A 23 2.172 6.661 6.089 1.00 0.00 H new ATOM 0 HA TYR A 23 3.746 6.360 8.589 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.457 4.460 6.238 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.475 4.202 7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.447 3.731 9.858 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.056 4.116 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.570 2.662 11.025 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.826 3.049 7.518 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.525 1.963 10.909 1.00 0.00 H new ATOM 379 N GLN A 24 5.992 6.842 7.473 1.00 0.00 N ATOM 380 CA GLN A 24 7.274 7.238 6.850 1.00 0.00 C ATOM 381 C GLN A 24 8.144 5.976 6.651 1.00 0.00 C ATOM 382 O GLN A 24 8.480 5.292 7.626 1.00 0.00 O ATOM 383 CB GLN A 24 8.014 8.264 7.713 1.00 0.00 C ATOM 384 CG GLN A 24 7.263 9.570 7.909 1.00 0.00 C ATOM 385 CD GLN A 24 8.078 10.596 8.676 1.00 0.00 C ATOM 386 OE1 GLN A 24 9.303 10.490 8.771 1.00 0.00 O ATOM 387 NE2 GLN A 24 7.399 11.593 9.230 1.00 0.00 N ATOM 0 H GLN A 24 6.061 6.650 8.472 1.00 0.00 H new ATOM 0 HA GLN A 24 7.072 7.705 5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.215 7.823 8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.980 8.478 7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.991 9.979 6.936 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.333 9.375 8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.386 11.640 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.891 12.312 9.761 1.00 0.00 H new ATOM 396 N LEU A 25 8.482 5.662 5.384 1.00 0.00 N ATOM 397 CA LEU A 25 9.347 4.513 5.026 1.00 0.00 C ATOM 398 C LEU A 25 10.693 5.021 4.487 1.00 0.00 C ATOM 399 O LEU A 25 10.749 5.627 3.418 1.00 0.00 O ATOM 400 CB LEU A 25 8.658 3.615 3.990 1.00 0.00 C ATOM 401 CG LEU A 25 7.327 3.000 4.443 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.810 2.037 3.383 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.523 2.284 5.771 1.00 0.00 C ATOM 0 H LEU A 25 8.164 6.198 4.576 1.00 0.00 H new ATOM 0 HA LEU A 25 9.526 3.918 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.482 4.199 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.340 2.808 3.721 1.00 0.00 H new ATOM 0 HG LEU A 25 6.588 3.790 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.865 1.605 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.656 2.574 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.538 1.241 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.577 1.848 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.265 1.495 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.867 2.996 6.521 1.00 0.00 H new ATOM 415 N TYR A 26 11.767 4.793 5.257 1.00 0.00 N ATOM 416 CA TYR A 26 13.133 5.211 4.895 1.00 0.00 C ATOM 417 C TYR A 26 13.927 3.985 4.418 1.00 0.00 C ATOM 418 O TYR A 26 14.099 3.025 5.173 1.00 0.00 O ATOM 419 CB TYR A 26 13.837 5.878 6.081 1.00 0.00 C ATOM 420 CG TYR A 26 15.066 6.672 5.696 1.00 0.00 C ATOM 421 CD1 TYR A 26 14.962 7.994 5.291 1.00 0.00 C ATOM 422 CD2 TYR A 26 16.327 6.096 5.741 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.081 8.724 4.940 1.00 0.00 C ATOM 424 CE2 TYR A 26 17.453 6.816 5.393 1.00 0.00 C ATOM 425 CZ TYR A 26 17.326 8.130 4.991 1.00 0.00 C ATOM 426 OH TYR A 26 18.445 8.852 4.643 1.00 0.00 O ATOM 0 H TYR A 26 11.714 4.311 6.154 1.00 0.00 H new ATOM 0 HA TYR A 26 13.077 5.944 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.132 6.540 6.584 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.123 5.110 6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.989 8.461 5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 26 16.430 5.067 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.982 9.753 4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 26 18.428 6.353 5.435 1.00 0.00 H new ATOM 0 HH TYR A 26 18.340 9.199 3.733 1.00 0.00 H new ATOM 436 N ALA A 27 14.425 4.043 3.172 1.00 0.00 N ATOM 437 CA ALA A 27 15.012 2.884 2.472 1.00 0.00 C ATOM 438 C ALA A 27 16.108 3.352 1.509 1.00 0.00 C ATOM 439 O ALA A 27 16.161 4.535 1.149 1.00 0.00 O ATOM 440 CB ALA A 27 13.918 2.122 1.708 1.00 0.00 C ATOM 0 H ALA A 27 14.433 4.899 2.617 1.00 0.00 H new ATOM 0 HA ALA A 27 15.457 2.213 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.360 1.268 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.161 1.771 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.455 2.785 0.977 1.00 0.00 H new ATOM 446 N VAL A 28 17.001 2.423 1.124 1.00 0.00 N ATOM 447 CA VAL A 28 18.024 2.670 0.088 1.00 0.00 C ATOM 448 C VAL A 28 17.566 2.011 -1.227 1.00 0.00 C ATOM 449 O VAL A 28 17.485 2.660 -2.276 1.00 0.00 O ATOM 450 CB VAL A 28 19.405 2.121 0.490 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.386 2.251 -0.665 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.930 2.848 1.718 1.00 0.00 C ATOM 0 H VAL A 28 17.035 1.483 1.519 1.00 0.00 H new ATOM 0 HA VAL A 28 18.129 3.748 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 28 19.298 1.064 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.357 1.858 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.016 1.687 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.489 3.301 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.907 2.447 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 28 20.022 3.912 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.238 2.707 2.548 1.00 0.00 H new ATOM 462 N ARG A 29 17.263 0.701 -1.143 1.00 0.00 N ATOM 463 CA ARG A 29 16.923 -0.132 -2.312 1.00 0.00 C ATOM 464 C ARG A 29 15.400 -0.307 -2.424 1.00 0.00 C ATOM 465 O ARG A 29 14.675 -0.206 -1.427 1.00 0.00 O ATOM 466 CB ARG A 29 17.641 -1.475 -2.299 1.00 0.00 C ATOM 467 CG ARG A 29 19.149 -1.394 -2.478 1.00 0.00 C ATOM 468 CD ARG A 29 19.867 -2.660 -2.186 1.00 0.00 C ATOM 469 NE ARG A 29 19.800 -3.085 -0.796 1.00 0.00 N ATOM 470 CZ ARG A 29 20.181 -4.298 -0.348 1.00 0.00 C ATOM 471 NH1 ARG A 29 20.619 -5.219 -1.176 1.00 0.00 N ATOM 472 NH2 ARG A 29 20.079 -4.544 0.946 1.00 0.00 N ATOM 0 H ARG A 29 17.247 0.190 -0.260 1.00 0.00 H new ATOM 0 HA ARG A 29 17.275 0.393 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.428 -1.976 -1.355 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.228 -2.099 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.366 -1.095 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.539 -0.610 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.455 -3.450 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 29 20.914 -2.542 -2.467 1.00 0.00 H new ATOM 0 HE ARG A 29 19.440 -2.419 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.675 -5.022 -2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.903 -6.132 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.720 -3.826 1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.359 -5.452 1.316 1.00 0.00 H new ATOM 486 N ASP A 30 14.938 -0.574 -3.651 1.00 0.00 N ATOM 487 CA ASP A 30 13.521 -0.835 -3.956 1.00 0.00 C ATOM 488 C ASP A 30 13.013 -2.070 -3.179 1.00 0.00 C ATOM 489 O ASP A 30 11.904 -2.055 -2.633 1.00 0.00 O ATOM 490 CB ASP A 30 13.325 -1.037 -5.461 1.00 0.00 C ATOM 491 CG ASP A 30 13.476 0.230 -6.291 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.514 1.292 -5.715 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.708 0.120 -7.471 1.00 0.00 O ATOM 0 H ASP A 30 15.542 -0.616 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 30 12.940 0.032 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.046 -1.775 -5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.332 -1.453 -5.633 1.00 0.00 H new ATOM 498 N GLU A 31 13.854 -3.130 -3.130 1.00 0.00 N ATOM 499 CA GLU A 31 13.527 -4.401 -2.449 1.00 0.00 C ATOM 500 C GLU A 31 13.377 -4.187 -0.934 1.00 0.00 C ATOM 501 O GLU A 31 12.542 -4.836 -0.288 1.00 0.00 O ATOM 502 CB GLU A 31 14.600 -5.455 -2.727 1.00 0.00 C ATOM 503 CG GLU A 31 14.636 -5.953 -4.165 1.00 0.00 C ATOM 504 CD GLU A 31 13.439 -6.806 -4.477 1.00 0.00 C ATOM 505 OE1 GLU A 31 12.801 -7.261 -3.558 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.095 -6.913 -5.631 1.00 0.00 O ATOM 0 H GLU A 31 14.778 -3.126 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 31 12.576 -4.758 -2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.575 -5.038 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.437 -6.305 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.667 -5.103 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.548 -6.527 -4.331 1.00 0.00 H new ATOM 513 N GLU A 32 14.178 -3.246 -0.384 1.00 0.00 N ATOM 514 CA GLU A 32 14.100 -2.866 1.037 1.00 0.00 C ATOM 515 C GLU A 32 12.736 -2.205 1.350 1.00 0.00 C ATOM 516 O GLU A 32 12.165 -2.457 2.393 1.00 0.00 O ATOM 517 CB GLU A 32 15.247 -1.921 1.403 1.00 0.00 C ATOM 518 CG GLU A 32 16.624 -2.570 1.391 1.00 0.00 C ATOM 519 CD GLU A 32 17.714 -1.541 1.507 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.404 -0.374 1.524 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.846 -1.921 1.692 1.00 0.00 O ATOM 0 H GLU A 32 14.888 -2.736 -0.910 1.00 0.00 H new ATOM 0 HA GLU A 32 14.191 -3.770 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.248 -1.083 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.061 -1.510 2.395 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.701 -3.279 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.753 -3.137 0.469 1.00 0.00 H new ATOM 528 N LEU A 33 12.232 -1.359 0.427 1.00 0.00 N ATOM 529 CA LEU A 33 10.926 -0.673 0.590 1.00 0.00 C ATOM 530 C LEU A 33 9.759 -1.705 0.504 1.00 0.00 C ATOM 531 O LEU A 33 8.796 -1.610 1.265 1.00 0.00 O ATOM 532 CB LEU A 33 10.773 0.475 -0.473 1.00 0.00 C ATOM 533 CG LEU A 33 9.887 1.721 -0.070 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.407 1.363 0.169 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.472 2.458 1.160 1.00 0.00 C ATOM 0 H LEU A 33 12.711 -1.132 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 33 10.885 -0.212 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.770 0.837 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.353 0.041 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 33 9.914 2.393 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.855 2.262 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.983 0.939 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.335 0.634 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.838 3.309 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.513 1.775 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.477 2.810 0.929 1.00 0.00 H new ATOM 547 N LYS A 34 9.888 -2.693 -0.421 1.00 0.00 N ATOM 548 CA LYS A 34 8.830 -3.702 -0.712 1.00 0.00 C ATOM 549 C LYS A 34 8.381 -4.449 0.560 1.00 0.00 C ATOM 550 O LYS A 34 7.183 -4.524 0.856 1.00 0.00 O ATOM 551 CB LYS A 34 9.319 -4.708 -1.755 1.00 0.00 C ATOM 552 CG LYS A 34 9.407 -4.153 -3.171 1.00 0.00 C ATOM 553 CD LYS A 34 9.929 -5.201 -4.144 1.00 0.00 C ATOM 554 CE LYS A 34 10.118 -4.618 -5.536 1.00 0.00 C ATOM 555 NZ LYS A 34 10.646 -5.627 -6.495 1.00 0.00 N ATOM 0 H LYS A 34 10.728 -2.814 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 34 7.970 -3.160 -1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.303 -5.071 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.649 -5.567 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.422 -3.813 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.064 -3.283 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.878 -5.596 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.232 -6.037 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.165 -4.234 -5.901 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.804 -3.772 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.633 -5.232 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.622 -5.875 -6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.052 -6.480 -6.463 1.00 0.00 H new ATOM 569 N GLU A 35 9.377 -4.983 1.296 1.00 0.00 N ATOM 570 CA GLU A 35 9.152 -5.718 2.553 1.00 0.00 C ATOM 571 C GLU A 35 8.562 -4.800 3.644 1.00 0.00 C ATOM 572 O GLU A 35 7.759 -5.253 4.447 1.00 0.00 O ATOM 573 CB GLU A 35 10.457 -6.347 3.045 1.00 0.00 C ATOM 574 CG GLU A 35 11.584 -5.352 3.285 1.00 0.00 C ATOM 575 CD GLU A 35 12.833 -6.044 3.752 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.824 -7.249 3.848 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.832 -5.383 3.907 1.00 0.00 O ATOM 0 H GLU A 35 10.360 -4.915 1.033 1.00 0.00 H new ATOM 0 HA GLU A 35 8.430 -6.509 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.260 -6.885 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.789 -7.084 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.791 -4.805 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.272 -4.619 4.029 1.00 0.00 H new ATOM 584 N LYS A 36 8.952 -3.501 3.633 1.00 0.00 N ATOM 585 CA LYS A 36 8.427 -2.488 4.574 1.00 0.00 C ATOM 586 C LYS A 36 6.933 -2.227 4.332 1.00 0.00 C ATOM 587 O LYS A 36 6.179 -2.052 5.280 1.00 0.00 O ATOM 588 CB LYS A 36 9.211 -1.180 4.454 1.00 0.00 C ATOM 589 CG LYS A 36 10.644 -1.256 4.966 1.00 0.00 C ATOM 590 CD LYS A 36 11.408 0.024 4.664 1.00 0.00 C ATOM 591 CE LYS A 36 12.895 -0.138 4.943 1.00 0.00 C ATOM 592 NZ LYS A 36 13.156 -0.550 6.349 1.00 0.00 N ATOM 0 H LYS A 36 9.636 -3.131 2.974 1.00 0.00 H new ATOM 0 HA LYS A 36 8.549 -2.881 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.228 -0.875 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.682 -0.402 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.639 -1.434 6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.153 -2.103 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.260 0.300 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.009 0.839 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.313 -0.881 4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.407 0.803 4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.161 -0.405 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.573 0.022 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.917 -1.555 6.466 1.00 0.00 H new ATOM 606 N LEU A 37 6.538 -2.187 3.044 1.00 0.00 N ATOM 607 CA LEU A 37 5.126 -2.064 2.634 1.00 0.00 C ATOM 608 C LEU A 37 4.314 -3.270 3.117 1.00 0.00 C ATOM 609 O LEU A 37 3.190 -3.105 3.582 1.00 0.00 O ATOM 610 CB LEU A 37 5.020 -1.924 1.110 1.00 0.00 C ATOM 611 CG LEU A 37 5.482 -0.575 0.544 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.604 -0.659 -0.971 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.494 0.510 0.946 1.00 0.00 C ATOM 0 H LEU A 37 7.188 -2.239 2.260 1.00 0.00 H new ATOM 0 HA LEU A 37 4.714 -1.166 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.609 -2.715 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.983 -2.086 0.818 1.00 0.00 H new ATOM 0 HG LEU A 37 6.462 -0.326 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.932 0.303 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.332 -1.426 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.635 -0.914 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.822 1.468 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.508 0.269 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.443 0.571 2.033 1.00 0.00 H new ATOM 625 N LYS A 38 4.896 -4.484 2.998 1.00 0.00 N ATOM 626 CA LYS A 38 4.287 -5.717 3.527 1.00 0.00 C ATOM 627 C LYS A 38 4.073 -5.617 5.046 1.00 0.00 C ATOM 628 O LYS A 38 3.015 -5.992 5.529 1.00 0.00 O ATOM 629 CB LYS A 38 5.156 -6.930 3.196 1.00 0.00 C ATOM 630 CG LYS A 38 5.206 -7.284 1.715 1.00 0.00 C ATOM 631 CD LYS A 38 6.145 -8.452 1.456 1.00 0.00 C ATOM 632 CE LYS A 38 6.342 -8.686 -0.034 1.00 0.00 C ATOM 633 NZ LYS A 38 7.354 -9.743 -0.303 1.00 0.00 N ATOM 0 H LYS A 38 5.793 -4.633 2.536 1.00 0.00 H new ATOM 0 HA LYS A 38 3.314 -5.842 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.171 -6.741 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.783 -7.791 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.205 -7.535 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.535 -6.417 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.109 -8.257 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.742 -9.354 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.391 -8.971 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.654 -7.756 -0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.458 -9.871 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.268 -9.460 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.045 -10.638 0.128 1.00 0.00 H new ATOM 647 N LYS A 39 5.087 -5.097 5.781 1.00 0.00 N ATOM 648 CA LYS A 39 5.011 -4.959 7.251 1.00 0.00 C ATOM 649 C LYS A 39 3.884 -3.981 7.637 1.00 0.00 C ATOM 650 O LYS A 39 3.050 -4.327 8.447 1.00 0.00 O ATOM 651 CB LYS A 39 6.347 -4.480 7.822 1.00 0.00 C ATOM 652 CG LYS A 39 7.455 -5.525 7.788 1.00 0.00 C ATOM 653 CD LYS A 39 8.743 -4.985 8.391 1.00 0.00 C ATOM 654 CE LYS A 39 9.860 -6.016 8.327 1.00 0.00 C ATOM 655 NZ LYS A 39 11.123 -5.506 8.926 1.00 0.00 N ATOM 0 H LYS A 39 5.964 -4.768 5.378 1.00 0.00 H new ATOM 0 HA LYS A 39 4.789 -5.938 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.674 -3.603 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.195 -4.162 8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.138 -6.412 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.635 -5.834 6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.046 -4.084 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.569 -4.699 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.549 -6.920 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.038 -6.294 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.858 -6.239 8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.434 -4.658 8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.961 -5.264 9.924 1.00 0.00 H new ATOM 669 N VAL A 40 3.861 -2.795 6.984 1.00 0.00 N ATOM 670 CA VAL A 40 2.861 -1.721 7.222 1.00 0.00 C ATOM 671 C VAL A 40 1.425 -2.214 6.957 1.00 0.00 C ATOM 672 O VAL A 40 0.521 -1.972 7.765 1.00 0.00 O ATOM 673 CB VAL A 40 3.134 -0.488 6.341 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.961 0.480 6.404 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.418 0.203 6.775 1.00 0.00 C ATOM 0 H VAL A 40 4.545 -2.552 6.267 1.00 0.00 H new ATOM 0 HA VAL A 40 2.956 -1.441 8.271 1.00 0.00 H new ATOM 0 HB VAL A 40 3.253 -0.820 5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.170 1.346 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.059 -0.018 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.813 0.806 7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.595 1.072 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.326 0.523 7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.254 -0.490 6.682 1.00 0.00 H new ATOM 685 N LEU A 41 1.245 -2.922 5.829 1.00 0.00 N ATOM 686 CA LEU A 41 -0.040 -3.527 5.466 1.00 0.00 C ATOM 687 C LEU A 41 -0.449 -4.603 6.488 1.00 0.00 C ATOM 688 O LEU A 41 -1.573 -4.589 6.929 1.00 0.00 O ATOM 689 CB LEU A 41 0.036 -4.124 4.055 1.00 0.00 C ATOM 690 CG LEU A 41 -0.075 -3.110 2.910 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.362 -3.752 1.601 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.508 -2.607 2.812 1.00 0.00 C ATOM 0 H LEU A 41 1.986 -3.088 5.148 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.802 -2.748 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.980 -4.659 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.761 -4.860 3.946 1.00 0.00 H new ATOM 0 HG LEU A 41 0.581 -2.262 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.280 -3.024 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.397 -4.084 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.277 -4.608 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.586 -1.886 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.176 -3.446 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.790 -2.127 3.749 1.00 0.00 H new ATOM 704 N ASN A 42 0.479 -5.507 6.881 1.00 0.00 N ATOM 705 CA ASN A 42 0.187 -6.582 7.874 1.00 0.00 C ATOM 706 C ASN A 42 -0.148 -6.005 9.260 1.00 0.00 C ATOM 707 O ASN A 42 -1.083 -6.476 9.909 1.00 0.00 O ATOM 708 CB ASN A 42 1.342 -7.561 7.992 1.00 0.00 C ATOM 709 CG ASN A 42 1.468 -8.492 6.818 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.510 -8.710 6.067 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.618 -9.105 6.705 1.00 0.00 N ATOM 0 H ASN A 42 1.436 -5.518 6.529 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.688 -7.116 7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.271 -7.002 8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.216 -8.151 8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.756 -9.800 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.377 -8.888 7.351 1.00 0.00 H new ATOM 718 N GLU A 43 0.616 -4.985 9.690 1.00 0.00 N ATOM 719 CA GLU A 43 0.468 -4.382 11.025 1.00 0.00 C ATOM 720 C GLU A 43 -0.878 -3.644 11.107 1.00 0.00 C ATOM 721 O GLU A 43 -1.608 -3.765 12.090 1.00 0.00 O ATOM 722 CB GLU A 43 1.623 -3.424 11.324 1.00 0.00 C ATOM 723 CG GLU A 43 2.952 -4.111 11.607 1.00 0.00 C ATOM 724 CD GLU A 43 4.071 -3.112 11.713 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.826 -1.949 11.503 1.00 0.00 O ATOM 726 OE2 GLU A 43 5.146 -3.496 12.114 1.00 0.00 O ATOM 0 H GLU A 43 1.350 -4.558 9.124 1.00 0.00 H new ATOM 0 HA GLU A 43 0.491 -5.174 11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.749 -2.750 10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.356 -2.809 12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.880 -4.679 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.172 -4.824 10.812 1.00 0.00 H new ATOM 733 N ARG A 44 -1.191 -2.908 10.024 1.00 0.00 N ATOM 734 CA ARG A 44 -2.448 -2.167 9.870 1.00 0.00 C ATOM 735 C ARG A 44 -3.651 -3.118 9.734 1.00 0.00 C ATOM 736 O ARG A 44 -4.694 -2.874 10.327 1.00 0.00 O ATOM 737 CB ARG A 44 -2.386 -1.176 8.716 1.00 0.00 C ATOM 738 CG ARG A 44 -3.712 -0.521 8.363 1.00 0.00 C ATOM 739 CD ARG A 44 -4.352 0.210 9.487 1.00 0.00 C ATOM 740 NE ARG A 44 -3.551 1.293 10.034 1.00 0.00 N ATOM 741 CZ ARG A 44 -3.865 1.994 11.142 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.977 1.754 11.802 1.00 0.00 N ATOM 743 NH2 ARG A 44 -3.037 2.945 11.535 1.00 0.00 N ATOM 0 H ARG A 44 -0.567 -2.813 9.223 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.591 -1.587 10.782 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.667 -0.396 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.006 -1.691 7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.553 0.173 7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.399 -1.288 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.304 0.616 9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.576 -0.499 10.284 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.691 1.540 9.545 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.616 1.029 11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.200 2.293 12.639 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.187 3.132 11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.248 3.492 12.370 1.00 0.00 H new ATOM 757 N MET A 45 -3.469 -4.223 8.982 1.00 0.00 N ATOM 758 CA MET A 45 -4.553 -5.176 8.678 1.00 0.00 C ATOM 759 C MET A 45 -4.643 -6.275 9.749 1.00 0.00 C ATOM 760 O MET A 45 -5.568 -7.080 9.710 1.00 0.00 O ATOM 761 CB MET A 45 -4.340 -5.799 7.301 1.00 0.00 C ATOM 762 CG MET A 45 -4.452 -4.819 6.141 1.00 0.00 C ATOM 763 SD MET A 45 -4.299 -5.621 4.534 1.00 0.00 S ATOM 764 CE MET A 45 -5.806 -6.587 4.493 1.00 0.00 C ATOM 0 H MET A 45 -2.571 -4.478 8.571 1.00 0.00 H new ATOM 0 HA MET A 45 -5.494 -4.626 8.677 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.354 -6.263 7.274 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.071 -6.595 7.159 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.412 -4.306 6.196 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.678 -4.058 6.238 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.557 -7.647 4.437 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.385 -6.397 5.397 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.395 -6.306 3.620 1.00 0.00 H new ATOM 774 N ASP A 46 -3.681 -6.294 10.689 1.00 0.00 N ATOM 775 CA ASP A 46 -3.688 -7.236 11.827 1.00 0.00 C ATOM 776 C ASP A 46 -4.989 -7.138 12.692 1.00 0.00 C ATOM 777 O ASP A 46 -5.641 -8.174 12.909 1.00 0.00 O ATOM 778 CB ASP A 46 -2.458 -6.995 12.704 1.00 0.00 C ATOM 779 CG ASP A 46 -2.338 -7.940 13.892 1.00 0.00 C ATOM 780 OD1 ASP A 46 -2.238 -9.125 13.677 1.00 0.00 O ATOM 781 OD2 ASP A 46 -2.188 -7.462 14.991 1.00 0.00 O ATOM 0 H ASP A 46 -2.881 -5.662 10.683 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.662 -8.243 11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.564 -7.090 12.088 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.485 -5.969 13.072 1.00 0.00 H new ATOM 786 N PRO A 47 -5.430 -5.913 13.178 1.00 0.00 N ATOM 787 CA PRO A 47 -6.722 -5.779 13.915 1.00 0.00 C ATOM 788 C PRO A 47 -7.948 -5.891 12.976 1.00 0.00 C ATOM 789 O PRO A 47 -9.052 -6.173 13.426 1.00 0.00 O ATOM 790 CB PRO A 47 -6.623 -4.366 14.540 1.00 0.00 C ATOM 791 CG PRO A 47 -5.766 -3.595 13.584 1.00 0.00 C ATOM 792 CD PRO A 47 -4.732 -4.584 13.096 1.00 0.00 C ATOM 0 HA PRO A 47 -6.867 -6.571 14.650 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.607 -3.910 14.648 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.177 -4.401 15.534 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.355 -3.200 12.756 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.296 -2.743 14.075 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.417 -4.361 12.077 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.837 -4.565 13.718 1.00 0.00 H new ATOM 800 N ILE A 48 -7.705 -5.697 11.669 1.00 0.00 N ATOM 801 CA ILE A 48 -8.738 -5.706 10.618 1.00 0.00 C ATOM 802 C ILE A 48 -9.312 -7.134 10.423 1.00 0.00 C ATOM 803 O ILE A 48 -10.508 -7.311 10.155 1.00 0.00 O ATOM 804 CB ILE A 48 -8.180 -5.193 9.277 1.00 0.00 C ATOM 805 CG1 ILE A 48 -7.688 -3.751 9.420 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.239 -5.292 8.189 1.00 0.00 C ATOM 807 CD1 ILE A 48 -8.775 -2.769 9.798 1.00 0.00 C ATOM 0 H ILE A 48 -6.767 -5.526 11.306 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.535 -5.038 10.943 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.334 -5.818 8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.903 -3.718 10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.238 -3.436 8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.829 -4.926 7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.544 -6.332 8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.104 -4.689 8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.349 -1.769 9.881 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.550 -2.771 9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.210 -3.058 10.755 1.00 0.00 H new ATOM 819 N LYS A 49 -8.443 -8.148 10.583 1.00 0.00 N ATOM 820 CA LYS A 49 -8.835 -9.566 10.520 1.00 0.00 C ATOM 821 C LYS A 49 -9.703 -9.928 11.736 1.00 0.00 C ATOM 822 O LYS A 49 -10.635 -10.734 11.634 1.00 0.00 O ATOM 823 CB LYS A 49 -7.603 -10.470 10.456 1.00 0.00 C ATOM 824 CG LYS A 49 -6.790 -10.339 9.175 1.00 0.00 C ATOM 825 CD LYS A 49 -5.554 -11.225 9.211 1.00 0.00 C ATOM 826 CE LYS A 49 -4.739 -11.089 7.933 1.00 0.00 C ATOM 827 NZ LYS A 49 -3.519 -11.941 7.958 1.00 0.00 N ATOM 0 H LYS A 49 -7.448 -8.006 10.760 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.417 -9.722 9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.958 -10.245 11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.922 -11.507 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.409 -10.610 8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.491 -9.300 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.937 -10.957 10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.853 -12.265 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.356 -11.364 7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.451 -10.047 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.992 -11.819 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.917 -11.662 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.794 -12.938 8.063 1.00 0.00 H new ATOM 841 N LYS A 50 -9.353 -9.324 12.888 1.00 0.00 N ATOM 842 CA LYS A 50 -10.092 -9.460 14.158 1.00 0.00 C ATOM 843 C LYS A 50 -11.512 -8.835 14.004 1.00 0.00 C ATOM 844 O LYS A 50 -12.471 -9.291 14.638 1.00 0.00 O ATOM 845 CB LYS A 50 -9.328 -8.794 15.303 1.00 0.00 C ATOM 846 CG LYS A 50 -7.998 -9.454 15.639 1.00 0.00 C ATOM 847 CD LYS A 50 -7.292 -8.730 16.776 1.00 0.00 C ATOM 848 CE LYS A 50 -5.892 -9.280 17.000 1.00 0.00 C ATOM 849 NZ LYS A 50 -5.187 -8.578 18.106 1.00 0.00 N ATOM 0 H LYS A 50 -8.536 -8.718 12.963 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.194 -10.518 14.398 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.147 -7.751 15.044 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.957 -8.797 16.193 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.166 -10.495 15.917 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.359 -9.459 14.756 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.234 -7.665 16.551 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.875 -8.831 17.691 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.953 -10.344 17.227 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.313 -9.182 16.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.237 -8.984 18.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.105 -7.566 17.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.725 -8.692 18.989 1.00 0.00 H new ATOM 863 N LEU A 51 -11.627 -7.821 13.118 1.00 0.00 N ATOM 864 CA LEU A 51 -12.904 -7.110 12.868 1.00 0.00 C ATOM 865 C LEU A 51 -13.806 -7.971 11.964 1.00 0.00 C ATOM 866 O LEU A 51 -15.039 -7.924 12.061 1.00 0.00 O ATOM 867 CB LEU A 51 -12.647 -5.739 12.228 1.00 0.00 C ATOM 868 CG LEU A 51 -11.963 -4.712 13.140 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.648 -3.445 12.355 1.00 0.00 C ATOM 870 CD2 LEU A 51 -12.867 -4.400 14.323 1.00 0.00 C ATOM 0 H LEU A 51 -10.847 -7.474 12.560 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.409 -6.945 13.820 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.031 -5.880 11.340 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.599 -5.327 11.894 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.026 -5.125 13.513 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.163 -2.722 13.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.983 -3.687 11.526 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.573 -3.019 11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.380 -3.670 14.970 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.811 -3.992 13.962 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.058 -5.314 14.886 1.00 0.00 H new ATOM 882 N GLY A 52 -13.157 -8.748 11.077 1.00 0.00 N ATOM 883 CA GLY A 52 -13.796 -9.850 10.362 1.00 0.00 C ATOM 884 C GLY A 52 -14.426 -9.447 9.039 1.00 0.00 C ATOM 885 O GLY A 52 -14.982 -10.300 8.329 1.00 0.00 O ATOM 0 H GLY A 52 -12.173 -8.623 10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.055 -10.628 10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.564 -10.286 11.000 1.00 0.00 H new ATOM 889 N CYS A 53 -14.357 -8.144 8.716 1.00 0.00 N ATOM 890 CA CYS A 53 -14.837 -7.624 7.432 1.00 0.00 C ATOM 891 C CYS A 53 -14.411 -8.573 6.302 1.00 0.00 C ATOM 892 O CYS A 53 -13.226 -8.669 5.980 1.00 0.00 O ATOM 893 CB CYS A 53 -14.316 -6.188 7.211 1.00 0.00 C ATOM 894 SG CYS A 53 -12.554 -5.970 7.612 1.00 0.00 S ATOM 0 H CYS A 53 -13.970 -7.431 9.334 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.926 -7.575 7.436 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.478 -5.910 6.170 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -14.904 -5.501 7.820 1.00 0.00 H new ATOM 899 N LYS A 54 -15.408 -9.268 5.723 1.00 0.00 N ATOM 900 CA LYS A 54 -15.206 -10.282 4.663 1.00 0.00 C ATOM 901 C LYS A 54 -14.344 -9.718 3.524 1.00 0.00 C ATOM 902 O LYS A 54 -13.335 -10.302 3.154 1.00 0.00 O ATOM 903 CB LYS A 54 -16.549 -10.769 4.115 1.00 0.00 C ATOM 904 CG LYS A 54 -16.439 -11.860 3.058 1.00 0.00 C ATOM 905 CD LYS A 54 -17.812 -12.352 2.626 1.00 0.00 C ATOM 906 CE LYS A 54 -17.705 -13.409 1.537 1.00 0.00 C ATOM 907 NZ LYS A 54 -19.039 -13.921 1.125 1.00 0.00 N ATOM 0 H LYS A 54 -16.387 -9.142 5.978 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.683 -11.129 5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.152 -11.142 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.083 -9.920 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.899 -11.477 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.859 -12.694 3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.339 -12.765 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -18.404 -11.512 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.195 -12.987 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.093 -14.237 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.921 -14.639 0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.516 -14.347 1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.615 -13.136 0.760 1.00 0.00 H new ATOM 921 N ARG A 55 -14.777 -8.584 2.965 1.00 0.00 N ATOM 922 CA ARG A 55 -14.066 -7.869 1.895 1.00 0.00 C ATOM 923 C ARG A 55 -13.581 -6.523 2.453 1.00 0.00 C ATOM 924 O ARG A 55 -14.270 -5.915 3.275 1.00 0.00 O ATOM 925 CB ARG A 55 -14.900 -7.702 0.633 1.00 0.00 C ATOM 926 CG ARG A 55 -14.114 -7.301 -0.604 1.00 0.00 C ATOM 927 CD ARG A 55 -14.933 -7.184 -1.838 1.00 0.00 C ATOM 928 NE ARG A 55 -15.860 -6.064 -1.842 1.00 0.00 N ATOM 929 CZ ARG A 55 -17.193 -6.174 -1.680 1.00 0.00 C ATOM 930 NH1 ARG A 55 -17.764 -7.350 -1.539 1.00 0.00 N ATOM 931 NH2 ARG A 55 -17.916 -5.068 -1.690 1.00 0.00 N ATOM 0 H ARG A 55 -15.645 -8.128 3.246 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.210 -8.467 1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.416 -8.640 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.667 -6.950 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.624 -6.346 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.326 -8.035 -0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.265 -7.090 -2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.497 -8.107 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.474 -5.129 -1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.196 -8.197 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.775 -7.415 -1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.462 -4.163 -1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.928 -5.119 -1.570 1.00 0.00 H new ATOM 945 N VAL A 56 -12.401 -6.083 2.022 1.00 0.00 N ATOM 946 CA VAL A 56 -11.766 -4.850 2.517 1.00 0.00 C ATOM 947 C VAL A 56 -11.309 -3.995 1.326 1.00 0.00 C ATOM 948 O VAL A 56 -11.021 -4.530 0.251 1.00 0.00 O ATOM 949 CB VAL A 56 -10.560 -5.147 3.429 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.013 -5.859 4.695 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.526 -5.981 2.690 1.00 0.00 C ATOM 0 H VAL A 56 -11.850 -6.570 1.315 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.505 -4.311 3.109 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.100 -4.200 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.149 -6.061 5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.718 -5.227 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.497 -6.799 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.681 -6.181 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.975 -6.924 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.180 -5.436 1.812 1.00 0.00 H new ATOM 961 N ARG A 57 -11.291 -2.666 1.513 1.00 0.00 N ATOM 962 CA ARG A 57 -10.780 -1.726 0.510 1.00 0.00 C ATOM 963 C ARG A 57 -9.677 -0.887 1.148 1.00 0.00 C ATOM 964 O ARG A 57 -9.869 -0.324 2.221 1.00 0.00 O ATOM 965 CB ARG A 57 -11.871 -0.863 -0.108 1.00 0.00 C ATOM 966 CG ARG A 57 -11.380 0.160 -1.121 1.00 0.00 C ATOM 967 CD ARG A 57 -12.449 1.018 -1.691 1.00 0.00 C ATOM 968 NE ARG A 57 -13.380 0.322 -2.565 1.00 0.00 N ATOM 969 CZ ARG A 57 -14.564 0.818 -2.974 1.00 0.00 C ATOM 970 NH1 ARG A 57 -14.984 1.994 -2.562 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.305 0.081 -3.782 1.00 0.00 N ATOM 0 H ARG A 57 -11.630 -2.216 2.363 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.370 -2.296 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.598 -1.514 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.396 -0.339 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.635 0.797 -0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.878 -0.364 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.008 1.471 -0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.985 1.831 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.118 -0.608 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.411 2.545 -1.923 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.883 2.355 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.976 -0.837 -4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.206 0.430 -4.108 1.00 0.00 H new ATOM 985 N ILE A 58 -8.521 -0.840 0.477 1.00 0.00 N ATOM 986 CA ILE A 58 -7.327 -0.119 0.932 1.00 0.00 C ATOM 987 C ILE A 58 -6.909 0.862 -0.183 1.00 0.00 C ATOM 988 O ILE A 58 -6.696 0.456 -1.321 1.00 0.00 O ATOM 989 CB ILE A 58 -6.163 -1.071 1.264 1.00 0.00 C ATOM 990 CG1 ILE A 58 -6.567 -2.040 2.377 1.00 0.00 C ATOM 991 CG2 ILE A 58 -4.929 -0.280 1.666 1.00 0.00 C ATOM 992 CD1 ILE A 58 -5.585 -3.168 2.592 1.00 0.00 C ATOM 0 H ILE A 58 -8.386 -1.312 -0.417 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.567 0.414 1.852 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.924 -1.651 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.676 -1.484 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.544 -2.462 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.116 -0.968 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.631 0.371 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.154 0.324 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.941 -3.812 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.493 -3.750 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.612 -2.757 2.860 1.00 0.00 H new ATOM 1004 N SER A 59 -6.811 2.150 0.153 1.00 0.00 N ATOM 1005 CA SER A 59 -6.316 3.185 -0.753 1.00 0.00 C ATOM 1006 C SER A 59 -4.976 3.685 -0.202 1.00 0.00 C ATOM 1007 O SER A 59 -4.870 4.021 0.981 1.00 0.00 O ATOM 1008 CB SER A 59 -7.315 4.318 -0.884 1.00 0.00 C ATOM 1009 OG SER A 59 -8.447 3.940 -1.618 1.00 0.00 O ATOM 0 H SER A 59 -7.076 2.506 1.071 1.00 0.00 H new ATOM 0 HA SER A 59 -6.178 2.775 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.621 4.648 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.836 5.169 -1.369 1.00 0.00 H new ATOM 0 HG SER A 59 -9.066 4.697 -1.678 1.00 0.00 H new ATOM 1015 N ILE A 60 -3.952 3.684 -1.064 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.582 4.063 -0.699 1.00 0.00 C ATOM 1017 C ILE A 60 -2.134 5.246 -1.566 1.00 0.00 C ATOM 1018 O ILE A 60 -2.216 5.200 -2.794 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.594 2.894 -0.869 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -1.979 1.733 0.051 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.172 3.355 -0.587 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.151 0.486 -0.160 1.00 0.00 C ATOM 0 H ILE A 60 -4.052 3.418 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.582 4.343 0.354 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.642 2.545 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.877 2.054 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.030 1.491 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.514 2.517 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.097 4.150 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.107 3.729 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.483 -0.292 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.271 0.139 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.101 0.711 0.026 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.704 6.325 -0.900 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.154 7.509 -1.550 1.00 0.00 C ATOM 1036 C ARG A 61 0.330 7.582 -1.188 1.00 0.00 C ATOM 1037 O ARG A 61 0.691 7.491 -0.013 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.905 8.787 -1.204 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.472 10.016 -1.989 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.239 11.247 -1.671 1.00 0.00 C ATOM 1041 NE ARG A 61 -1.943 12.380 -2.532 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.391 13.635 -2.327 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.184 13.913 -1.316 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.031 14.574 -3.184 1.00 0.00 N ATOM 0 H ARG A 61 -1.731 6.396 0.117 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.273 7.419 -2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.969 8.623 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.778 8.989 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.415 10.201 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.571 9.806 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.304 11.024 -1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.037 11.529 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.355 12.214 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.469 13.174 -0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.514 14.868 -1.174 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.430 14.340 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.354 15.533 -3.055 1.00 0.00 H new ATOM 1058 N VAL A 62 1.187 7.713 -2.209 1.00 0.00 N ATOM 1059 CA VAL A 62 2.647 7.705 -2.035 1.00 0.00 C ATOM 1060 C VAL A 62 3.167 9.127 -2.292 1.00 0.00 C ATOM 1061 O VAL A 62 2.640 9.850 -3.151 1.00 0.00 O ATOM 1062 CB VAL A 62 3.347 6.713 -2.983 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.317 7.233 -4.413 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.779 6.468 -2.536 1.00 0.00 C ATOM 0 H VAL A 62 0.889 7.827 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 62 2.872 7.381 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 62 2.809 5.766 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.816 6.520 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.283 7.359 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.831 8.193 -4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.258 5.765 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.328 7.410 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.780 6.054 -1.528 1.00 0.00 H new ATOM 1074 N LYS A 63 4.172 9.535 -1.501 1.00 0.00 N ATOM 1075 CA LYS A 63 4.743 10.877 -1.568 1.00 0.00 C ATOM 1076 C LYS A 63 5.889 10.883 -2.583 1.00 0.00 C ATOM 1077 O LYS A 63 6.815 10.064 -2.494 1.00 0.00 O ATOM 1078 CB LYS A 63 5.234 11.334 -0.194 1.00 0.00 C ATOM 1079 CG LYS A 63 5.792 12.752 -0.165 1.00 0.00 C ATOM 1080 CD LYS A 63 6.247 13.139 1.235 1.00 0.00 C ATOM 1081 CE LYS A 63 6.807 14.553 1.264 1.00 0.00 C ATOM 1082 NZ LYS A 63 7.243 14.951 2.630 1.00 0.00 N ATOM 0 H LYS A 63 4.608 8.938 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 63 3.972 11.578 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.408 11.267 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.006 10.646 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.631 12.829 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.030 13.452 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.407 13.064 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.007 12.438 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.652 14.623 0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.049 15.251 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.618 15.921 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.432 14.910 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.985 14.301 2.961 1.00 0.00 H new ATOM 1096 N HIS A 64 5.802 11.806 -3.536 1.00 0.00 N ATOM 1097 CA HIS A 64 6.755 11.943 -4.632 1.00 0.00 C ATOM 1098 C HIS A 64 7.741 13.063 -4.301 1.00 0.00 C ATOM 1099 O HIS A 64 7.355 14.107 -3.770 1.00 0.00 O ATOM 1100 CB HIS A 64 6.039 12.230 -5.956 1.00 0.00 C ATOM 1101 CG HIS A 64 5.088 11.152 -6.373 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.511 9.948 -6.897 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.735 11.094 -6.343 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.459 9.197 -7.171 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.371 9.869 -6.844 1.00 0.00 N ATOM 0 H HIS A 64 5.050 12.495 -3.568 1.00 0.00 H new ATOM 0 HA HIS A 64 7.295 11.004 -4.750 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.493 13.169 -5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.784 12.367 -6.739 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.068 11.867 -5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.485 8.202 -7.591 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.414 9.532 -6.947 1.00 0.00 H new ATOM 1113 N SER A 65 9.020 12.795 -4.583 1.00 0.00 N ATOM 1114 CA SER A 65 10.138 13.702 -4.290 1.00 0.00 C ATOM 1115 C SER A 65 10.260 14.852 -5.314 1.00 0.00 C ATOM 1116 O SER A 65 10.897 15.871 -5.028 1.00 0.00 O ATOM 1117 CB SER A 65 11.431 12.912 -4.235 1.00 0.00 C ATOM 1118 OG SER A 65 11.825 12.460 -5.501 1.00 0.00 O ATOM 0 H SER A 65 9.314 11.926 -5.029 1.00 0.00 H new ATOM 0 HA SER A 65 9.938 14.163 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.219 13.535 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.306 12.059 -3.568 1.00 0.00 H new ATOM 0 HG SER A 65 11.148 11.846 -5.854 1.00 0.00 H new ATOM 1124 N ASP A 66 9.644 14.679 -6.500 1.00 0.00 N ATOM 1125 CA ASP A 66 9.693 15.680 -7.589 1.00 0.00 C ATOM 1126 C ASP A 66 8.445 15.540 -8.480 1.00 0.00 C ATOM 1127 O ASP A 66 8.257 14.496 -9.100 1.00 0.00 O ATOM 1128 CB ASP A 66 10.964 15.522 -8.425 1.00 0.00 C ATOM 1129 CG ASP A 66 11.114 16.545 -9.544 1.00 0.00 C ATOM 1130 OD1 ASP A 66 10.199 17.308 -9.751 1.00 0.00 O ATOM 1131 OD2 ASP A 66 12.192 16.662 -10.075 1.00 0.00 O ATOM 0 H ASP A 66 9.101 13.847 -6.731 1.00 0.00 H new ATOM 0 HA ASP A 66 9.707 16.675 -7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.829 15.594 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.976 14.522 -8.859 1.00 0.00 H new ATOM 1136 N ALA A 67 7.641 16.625 -8.566 1.00 0.00 N ATOM 1137 CA ALA A 67 6.430 16.696 -9.415 1.00 0.00 C ATOM 1138 C ALA A 67 6.692 16.372 -10.906 1.00 0.00 C ATOM 1139 O ALA A 67 5.781 15.924 -11.614 1.00 0.00 O ATOM 1140 CB ALA A 67 5.768 18.075 -9.267 1.00 0.00 C ATOM 0 H ALA A 67 7.817 17.483 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 67 5.754 15.919 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.878 18.120 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.487 18.234 -8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.469 18.850 -9.576 1.00 0.00 H new ATOM 1146 N ALA A 68 7.930 16.596 -11.384 1.00 0.00 N ATOM 1147 CA ALA A 68 8.349 16.187 -12.742 1.00 0.00 C ATOM 1148 C ALA A 68 8.530 14.659 -12.821 1.00 0.00 C ATOM 1149 O ALA A 68 8.006 14.005 -13.731 1.00 0.00 O ATOM 1150 CB ALA A 68 9.637 16.920 -13.147 1.00 0.00 C ATOM 0 H ALA A 68 8.663 17.061 -10.848 1.00 0.00 H new ATOM 0 HA ALA A 68 7.564 16.465 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.933 16.609 -14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.462 17.996 -13.138 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.431 16.676 -12.442 1.00 0.00 H new ATOM 1156 N GLU A 69 9.268 14.100 -11.847 1.00 0.00 N ATOM 1157 CA GLU A 69 9.570 12.657 -11.801 1.00 0.00 C ATOM 1158 C GLU A 69 8.351 11.825 -11.368 1.00 0.00 C ATOM 1159 O GLU A 69 8.282 10.636 -11.677 1.00 0.00 O ATOM 1160 CB GLU A 69 10.743 12.392 -10.854 1.00 0.00 C ATOM 1161 CG GLU A 69 12.077 12.948 -11.334 1.00 0.00 C ATOM 1162 CD GLU A 69 13.172 12.671 -10.342 1.00 0.00 C ATOM 1163 OE1 GLU A 69 12.894 12.075 -9.330 1.00 0.00 O ATOM 1164 OE2 GLU A 69 14.307 12.955 -10.647 1.00 0.00 O ATOM 0 H GLU A 69 9.670 14.630 -11.074 1.00 0.00 H new ATOM 0 HA GLU A 69 9.839 12.350 -12.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.513 12.824 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.842 11.316 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.334 12.504 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.990 14.023 -11.492 1.00 0.00 H new ATOM 1171 N GLU A 70 7.379 12.470 -10.684 1.00 0.00 N ATOM 1172 CA GLU A 70 6.271 11.763 -10.008 1.00 0.00 C ATOM 1173 C GLU A 70 5.543 10.745 -10.903 1.00 0.00 C ATOM 1174 O GLU A 70 5.000 9.766 -10.398 1.00 0.00 O ATOM 1175 CB GLU A 70 5.261 12.780 -9.469 1.00 0.00 C ATOM 1176 CG GLU A 70 4.358 13.391 -10.531 1.00 0.00 C ATOM 1177 CD GLU A 70 3.435 14.417 -9.937 1.00 0.00 C ATOM 1178 OE1 GLU A 70 3.529 14.662 -8.759 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.710 15.037 -10.681 1.00 0.00 O ATOM 0 H GLU A 70 7.341 13.485 -10.586 1.00 0.00 H new ATOM 0 HA GLU A 70 6.724 11.195 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.640 12.294 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.803 13.581 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.967 13.853 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.773 12.606 -11.010 1.00 0.00 H new ATOM 1186 N LYS A 71 5.521 11.001 -12.221 1.00 0.00 N ATOM 1187 CA LYS A 71 4.876 10.106 -13.206 1.00 0.00 C ATOM 1188 C LYS A 71 5.652 8.776 -13.265 1.00 0.00 C ATOM 1189 O LYS A 71 5.077 7.686 -13.220 1.00 0.00 O ATOM 1190 CB LYS A 71 4.820 10.757 -14.589 1.00 0.00 C ATOM 1191 CG LYS A 71 3.866 11.939 -14.690 1.00 0.00 C ATOM 1192 CD LYS A 71 3.878 12.543 -16.086 1.00 0.00 C ATOM 1193 CE LYS A 71 2.966 13.759 -16.172 1.00 0.00 C ATOM 1194 NZ LYS A 71 2.992 14.378 -17.524 1.00 0.00 N ATOM 0 H LYS A 71 5.947 11.830 -12.636 1.00 0.00 H new ATOM 0 HA LYS A 71 3.850 9.915 -12.892 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.822 11.090 -14.861 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.525 10.004 -15.320 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.855 11.615 -14.440 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.147 12.699 -13.961 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.896 12.830 -16.351 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.558 11.794 -16.811 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.945 13.465 -15.927 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.273 14.496 -15.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.358 15.202 -17.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.961 14.682 -17.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.675 13.683 -18.230 1.00 0.00 H new ATOM 1208 N LYS A 72 6.982 8.925 -13.336 1.00 0.00 N ATOM 1209 CA LYS A 72 7.965 7.827 -13.367 1.00 0.00 C ATOM 1210 C LYS A 72 8.012 7.092 -12.006 1.00 0.00 C ATOM 1211 O LYS A 72 8.100 5.865 -11.958 1.00 0.00 O ATOM 1212 CB LYS A 72 9.351 8.359 -13.733 1.00 0.00 C ATOM 1213 CG LYS A 72 9.479 8.847 -15.170 1.00 0.00 C ATOM 1214 CD LYS A 72 10.874 9.383 -15.450 1.00 0.00 C ATOM 1215 CE LYS A 72 10.990 9.913 -16.872 1.00 0.00 C ATOM 1216 NZ LYS A 72 12.339 10.478 -17.148 1.00 0.00 N ATOM 0 H LYS A 72 7.421 9.845 -13.375 1.00 0.00 H new ATOM 0 HA LYS A 72 7.653 7.114 -14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.601 9.179 -13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.085 7.572 -13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.257 8.029 -15.855 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.743 9.628 -15.358 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.108 10.179 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.608 8.592 -15.294 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.783 9.108 -17.577 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.235 10.682 -17.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.375 10.828 -18.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.527 11.263 -16.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.058 9.738 -17.018 1.00 0.00 H new ATOM 1230 N GLU A 73 7.915 7.872 -10.911 1.00 0.00 N ATOM 1231 CA GLU A 73 7.940 7.352 -9.526 1.00 0.00 C ATOM 1232 C GLU A 73 6.657 6.571 -9.225 1.00 0.00 C ATOM 1233 O GLU A 73 6.717 5.564 -8.536 1.00 0.00 O ATOM 1234 CB GLU A 73 8.111 8.489 -8.517 1.00 0.00 C ATOM 1235 CG GLU A 73 9.484 9.145 -8.536 1.00 0.00 C ATOM 1236 CD GLU A 73 9.588 10.227 -7.496 1.00 0.00 C ATOM 1237 OE1 GLU A 73 8.622 10.456 -6.808 1.00 0.00 O ATOM 1238 OE2 GLU A 73 10.663 10.746 -7.313 1.00 0.00 O ATOM 0 H GLU A 73 7.817 8.886 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 73 8.793 6.680 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.356 9.250 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.920 8.102 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.252 8.392 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.674 9.567 -9.523 1.00 0.00 H new ATOM 1245 N ALA A 74 5.511 7.037 -9.770 1.00 0.00 N ATOM 1246 CA ALA A 74 4.214 6.324 -9.657 1.00 0.00 C ATOM 1247 C ALA A 74 4.238 4.987 -10.411 1.00 0.00 C ATOM 1248 O ALA A 74 3.800 3.954 -9.881 1.00 0.00 O ATOM 1249 CB ALA A 74 3.086 7.201 -10.187 1.00 0.00 C ATOM 0 H ALA A 74 5.456 7.909 -10.296 1.00 0.00 H new ATOM 0 HA ALA A 74 4.042 6.111 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.139 6.668 -10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.039 8.123 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.272 7.440 -11.234 1.00 0.00 H new ATOM 1255 N LYS A 75 4.737 5.047 -11.660 1.00 0.00 N ATOM 1256 CA LYS A 75 4.945 3.872 -12.517 1.00 0.00 C ATOM 1257 C LYS A 75 5.850 2.864 -11.787 1.00 0.00 C ATOM 1258 O LYS A 75 5.555 1.668 -11.721 1.00 0.00 O ATOM 1259 CB LYS A 75 5.557 4.275 -13.859 1.00 0.00 C ATOM 1260 CG LYS A 75 5.774 3.117 -14.824 1.00 0.00 C ATOM 1261 CD LYS A 75 6.319 3.603 -16.159 1.00 0.00 C ATOM 1262 CE LYS A 75 6.574 2.443 -17.110 1.00 0.00 C ATOM 1263 NZ LYS A 75 7.117 2.903 -18.416 1.00 0.00 N ATOM 0 H LYS A 75 5.009 5.924 -12.104 1.00 0.00 H new ATOM 0 HA LYS A 75 3.981 3.407 -12.722 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.909 5.011 -14.334 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.514 4.764 -13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.468 2.400 -14.385 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.832 2.592 -14.983 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.611 4.298 -16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.246 4.153 -15.997 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.275 1.745 -16.651 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.644 1.898 -17.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.276 2.082 -19.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.438 3.549 -18.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.017 3.400 -18.262 1.00 0.00 H new ATOM 1277 N LYS A 76 6.916 3.411 -11.183 1.00 0.00 N ATOM 1278 CA LYS A 76 7.914 2.659 -10.418 1.00 0.00 C ATOM 1279 C LYS A 76 7.274 1.998 -9.184 1.00 0.00 C ATOM 1280 O LYS A 76 7.377 0.786 -9.007 1.00 0.00 O ATOM 1281 CB LYS A 76 9.064 3.573 -9.993 1.00 0.00 C ATOM 1282 CG LYS A 76 10.160 2.878 -9.197 1.00 0.00 C ATOM 1283 CD LYS A 76 11.284 3.841 -8.843 1.00 0.00 C ATOM 1284 CE LYS A 76 12.342 3.166 -7.983 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.411 4.115 -7.570 1.00 0.00 N ATOM 0 H LYS A 76 7.110 4.412 -11.216 1.00 0.00 H new ATOM 0 HA LYS A 76 8.312 1.873 -11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.506 4.018 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.660 4.390 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.738 2.457 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.560 2.046 -9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.742 4.219 -9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.875 4.701 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.872 2.741 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.786 2.338 -8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.112 3.616 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.877 4.502 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.992 4.892 -7.020 1.00 0.00 H new ATOM 1299 N PHE A 77 6.535 2.811 -8.399 1.00 0.00 N ATOM 1300 CA PHE A 77 5.893 2.391 -7.132 1.00 0.00 C ATOM 1301 C PHE A 77 4.757 1.392 -7.421 1.00 0.00 C ATOM 1302 O PHE A 77 4.451 0.539 -6.591 1.00 0.00 O ATOM 1303 CB PHE A 77 5.355 3.602 -6.367 1.00 0.00 C ATOM 1304 CG PHE A 77 5.153 3.350 -4.900 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.241 3.199 -4.053 1.00 0.00 C ATOM 1306 CD2 PHE A 77 3.877 3.265 -4.365 1.00 0.00 C ATOM 1307 CE1 PHE A 77 6.056 2.968 -2.702 1.00 0.00 C ATOM 1308 CE2 PHE A 77 3.690 3.035 -3.016 1.00 0.00 C ATOM 1309 CZ PHE A 77 4.782 2.887 -2.183 1.00 0.00 C ATOM 0 H PHE A 77 6.365 3.790 -8.629 1.00 0.00 H new ATOM 0 HA PHE A 77 6.644 1.903 -6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.046 4.435 -6.491 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.406 3.907 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.242 3.262 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.019 3.380 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.911 2.851 -2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.690 2.971 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.638 2.708 -1.128 1.00 0.00 H new ATOM 1319 N ALA A 78 4.146 1.524 -8.613 1.00 0.00 N ATOM 1320 CA ALA A 78 3.113 0.602 -9.098 1.00 0.00 C ATOM 1321 C ALA A 78 3.660 -0.828 -9.181 1.00 0.00 C ATOM 1322 O ALA A 78 2.986 -1.784 -8.783 1.00 0.00 O ATOM 1323 CB ALA A 78 2.603 1.070 -10.461 1.00 0.00 C ATOM 0 H ALA A 78 4.359 2.278 -9.266 1.00 0.00 H new ATOM 0 HA ALA A 78 2.281 0.600 -8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.836 0.383 -10.818 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.179 2.070 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.430 1.092 -11.171 1.00 0.00 H new ATOM 1329 N ALA A 79 4.899 -0.950 -9.694 1.00 0.00 N ATOM 1330 CA ALA A 79 5.626 -2.225 -9.757 1.00 0.00 C ATOM 1331 C ALA A 79 5.976 -2.726 -8.340 1.00 0.00 C ATOM 1332 O ALA A 79 5.866 -3.925 -8.050 1.00 0.00 O ATOM 1333 CB ALA A 79 6.891 -2.066 -10.614 1.00 0.00 C ATOM 0 H ALA A 79 5.422 -0.163 -10.077 1.00 0.00 H new ATOM 0 HA ALA A 79 4.984 -2.973 -10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.424 -3.016 -10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.611 -1.763 -11.623 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.536 -1.307 -10.173 1.00 0.00 H new ATOM 1339 N ILE A 80 6.394 -1.782 -7.471 1.00 0.00 N ATOM 1340 CA ILE A 80 6.731 -2.054 -6.061 1.00 0.00 C ATOM 1341 C ILE A 80 5.533 -2.716 -5.344 1.00 0.00 C ATOM 1342 O ILE A 80 5.659 -3.823 -4.814 1.00 0.00 O ATOM 1343 CB ILE A 80 7.131 -0.770 -5.311 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.379 -0.149 -5.943 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.366 -1.066 -3.838 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.609 -1.023 -5.850 1.00 0.00 C ATOM 0 H ILE A 80 6.507 -0.802 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 80 7.585 -2.731 -6.055 1.00 0.00 H new ATOM 0 HB ILE A 80 6.314 -0.053 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.175 0.065 -6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.585 0.805 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.648 -0.148 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.452 -1.464 -3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.167 -1.799 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.452 -0.516 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.839 -1.217 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.424 -1.968 -6.361 1.00 0.00 H new ATOM 1358 N LEU A 81 4.359 -2.053 -5.421 1.00 0.00 N ATOM 1359 CA LEU A 81 3.103 -2.540 -4.817 1.00 0.00 C ATOM 1360 C LEU A 81 2.587 -3.810 -5.524 1.00 0.00 C ATOM 1361 O LEU A 81 1.999 -4.677 -4.876 1.00 0.00 O ATOM 1362 CB LEU A 81 2.037 -1.437 -4.860 1.00 0.00 C ATOM 1363 CG LEU A 81 2.238 -0.296 -3.855 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.179 0.778 -4.065 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.174 -0.847 -2.438 1.00 0.00 C ATOM 0 H LEU A 81 4.257 -1.162 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 81 3.310 -2.801 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.014 -1.015 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.061 -1.889 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 81 3.218 0.156 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.330 1.584 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.259 1.175 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.189 0.346 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.317 -0.035 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.201 -1.309 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.958 -1.592 -2.302 1.00 0.00 H new ATOM 1377 N ASN A 82 2.826 -3.908 -6.852 1.00 0.00 N ATOM 1378 CA ASN A 82 2.413 -5.081 -7.664 1.00 0.00 C ATOM 1379 C ASN A 82 3.010 -6.373 -7.070 1.00 0.00 C ATOM 1380 O ASN A 82 2.323 -7.393 -6.968 1.00 0.00 O ATOM 1381 CB ASN A 82 2.818 -4.933 -9.119 1.00 0.00 C ATOM 1382 CG ASN A 82 2.309 -6.037 -10.004 1.00 0.00 C ATOM 1383 OD1 ASN A 82 1.098 -6.214 -10.177 1.00 0.00 O ATOM 1384 ND2 ASN A 82 3.225 -6.831 -10.498 1.00 0.00 N ATOM 0 H ASN A 82 3.306 -3.185 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 82 1.325 -5.139 -7.633 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.448 -3.979 -9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 82 3.906 -4.901 -9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.952 -7.640 -11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.212 -6.640 -10.326 1.00 0.00 H new ATOM 1391 N LYS A 83 4.295 -6.292 -6.668 1.00 0.00 N ATOM 1392 CA LYS A 83 5.022 -7.415 -6.048 1.00 0.00 C ATOM 1393 C LYS A 83 4.531 -7.663 -4.614 1.00 0.00 C ATOM 1394 O LYS A 83 4.335 -8.805 -4.211 1.00 0.00 O ATOM 1395 CB LYS A 83 6.529 -7.148 -6.049 1.00 0.00 C ATOM 1396 CG LYS A 83 7.189 -7.270 -7.415 1.00 0.00 C ATOM 1397 CD LYS A 83 7.224 -8.716 -7.886 1.00 0.00 C ATOM 1398 CE LYS A 83 7.921 -8.845 -9.233 1.00 0.00 C ATOM 1399 NZ LYS A 83 8.019 -10.262 -9.676 1.00 0.00 N ATOM 0 H LYS A 83 4.856 -5.446 -6.765 1.00 0.00 H new ATOM 0 HA LYS A 83 4.824 -8.309 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.708 -6.145 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.010 -7.846 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.646 -6.663 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.204 -6.876 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.741 -9.328 -7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.207 -9.100 -7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.376 -8.268 -9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.921 -8.416 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.500 -10.305 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.561 -10.808 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.064 -10.665 -9.765 1.00 0.00 H new ATOM 1413 N VAL A 84 4.268 -6.563 -3.887 1.00 0.00 N ATOM 1414 CA VAL A 84 3.849 -6.605 -2.479 1.00 0.00 C ATOM 1415 C VAL A 84 2.465 -7.274 -2.353 1.00 0.00 C ATOM 1416 O VAL A 84 2.334 -8.289 -1.673 1.00 0.00 O ATOM 1417 CB VAL A 84 3.795 -5.197 -1.858 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.105 -5.238 -0.502 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.196 -4.619 -1.725 1.00 0.00 C ATOM 0 H VAL A 84 4.341 -5.618 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 84 4.592 -7.189 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 84 3.217 -4.551 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.076 -4.234 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.088 -5.611 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.656 -5.899 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.139 -3.624 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.797 -5.265 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.658 -4.554 -2.710 1.00 0.00 H new ATOM 1429 N PHE A 85 1.481 -6.729 -3.097 1.00 0.00 N ATOM 1430 CA PHE A 85 0.068 -7.163 -3.051 1.00 0.00 C ATOM 1431 C PHE A 85 -0.119 -8.605 -3.569 1.00 0.00 C ATOM 1432 O PHE A 85 -0.933 -9.357 -3.023 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.805 -6.204 -3.861 1.00 0.00 C ATOM 1434 CG PHE A 85 -1.170 -4.947 -3.124 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.855 -5.006 -1.919 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.827 -3.703 -3.632 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.193 -3.852 -1.240 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -1.163 -2.546 -2.954 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.845 -2.620 -1.758 1.00 0.00 C ATOM 0 H PHE A 85 1.646 -5.967 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.239 -7.147 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.280 -5.937 -4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.719 -6.720 -4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.127 -5.966 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.291 -3.637 -4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.729 -3.913 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.891 -1.583 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.107 -1.716 -1.227 1.00 0.00 H new ATOM 1449 N ALA A 86 0.677 -8.986 -4.594 1.00 0.00 N ATOM 1450 CA ALA A 86 0.664 -10.351 -5.165 1.00 0.00 C ATOM 1451 C ALA A 86 1.139 -11.396 -4.134 1.00 0.00 C ATOM 1452 O ALA A 86 0.706 -12.550 -4.160 1.00 0.00 O ATOM 1453 CB ALA A 86 1.535 -10.413 -6.428 1.00 0.00 C ATOM 0 H ALA A 86 1.343 -8.359 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.365 -10.589 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.514 -11.424 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.149 -9.715 -7.171 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.561 -10.144 -6.176 1.00 0.00 H new ATOM 1459 N GLU A 87 2.023 -10.954 -3.223 1.00 0.00 N ATOM 1460 CA GLU A 87 2.582 -11.790 -2.139 1.00 0.00 C ATOM 1461 C GLU A 87 1.640 -11.839 -0.909 1.00 0.00 C ATOM 1462 O GLU A 87 1.846 -12.646 0.001 1.00 0.00 O ATOM 1463 CB GLU A 87 3.960 -11.270 -1.723 1.00 0.00 C ATOM 1464 CG GLU A 87 5.051 -11.477 -2.764 1.00 0.00 C ATOM 1465 CD GLU A 87 5.299 -12.940 -3.011 1.00 0.00 C ATOM 1466 OE1 GLU A 87 5.563 -13.645 -2.067 1.00 0.00 O ATOM 1467 OE2 GLU A 87 5.114 -13.373 -4.124 1.00 0.00 O ATOM 0 H GLU A 87 2.375 -9.997 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 87 2.681 -12.805 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.882 -10.205 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.258 -11.765 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.764 -10.992 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.972 -11.001 -2.428 1.00 0.00 H new ATOM 1474 N LEU A 88 0.624 -10.949 -0.880 1.00 0.00 N ATOM 1475 CA LEU A 88 -0.253 -10.754 0.305 1.00 0.00 C ATOM 1476 C LEU A 88 -1.650 -11.356 0.054 1.00 0.00 C ATOM 1477 O LEU A 88 -2.459 -11.472 0.983 1.00 0.00 O ATOM 1478 CB LEU A 88 -0.370 -9.263 0.646 1.00 0.00 C ATOM 1479 CG LEU A 88 0.924 -8.603 1.140 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.703 -7.110 1.343 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.370 -9.264 2.436 1.00 0.00 C ATOM 0 H LEU A 88 0.386 -10.348 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 88 0.198 -11.271 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.716 -8.730 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.137 -9.141 1.411 1.00 0.00 H new ATOM 0 HG LEU A 88 1.707 -8.733 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.627 -6.650 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.406 -6.654 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.083 -6.956 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.289 -8.795 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.592 -9.147 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.548 -10.325 2.261 1.00 0.00 H new ATOM 1493 N GLY A 89 -1.925 -11.746 -1.204 1.00 0.00 N ATOM 1494 CA GLY A 89 -3.162 -12.456 -1.567 1.00 0.00 C ATOM 1495 C GLY A 89 -4.098 -11.617 -2.429 1.00 0.00 C ATOM 1496 O GLY A 89 -5.280 -11.953 -2.564 1.00 0.00 O ATOM 0 H GLY A 89 -1.299 -11.579 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.906 -13.371 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.684 -12.754 -0.658 1.00 0.00 H new ATOM 1500 N TYR A 90 -3.578 -10.517 -3.002 1.00 0.00 N ATOM 1501 CA TYR A 90 -4.344 -9.659 -3.918 1.00 0.00 C ATOM 1502 C TYR A 90 -3.978 -9.987 -5.380 1.00 0.00 C ATOM 1503 O TYR A 90 -2.802 -10.175 -5.709 1.00 0.00 O ATOM 1504 CB TYR A 90 -4.084 -8.181 -3.621 1.00 0.00 C ATOM 1505 CG TYR A 90 -4.744 -7.684 -2.354 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -6.079 -7.308 -2.348 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -4.030 -7.592 -1.167 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -6.687 -6.854 -1.194 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -4.628 -7.140 -0.008 1.00 0.00 C ATOM 1510 CZ TYR A 90 -5.958 -6.771 -0.024 1.00 0.00 C ATOM 1511 OH TYR A 90 -6.559 -6.319 1.127 1.00 0.00 O ATOM 0 H TYR A 90 -2.621 -10.201 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.406 -9.853 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.009 -8.020 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.438 -7.584 -4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.653 -7.371 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.989 -7.879 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -7.728 -6.565 -1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.058 -7.075 0.907 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.946 -7.077 1.613 1.00 0.00 H new ATOM 1521 N ASN A 91 -5.001 -10.048 -6.242 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.837 -10.237 -7.696 1.00 0.00 C ATOM 1523 C ASN A 91 -4.607 -8.872 -8.379 1.00 0.00 C ATOM 1524 O ASN A 91 -4.977 -7.824 -7.830 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.031 -10.945 -8.311 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.153 -12.387 -7.905 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.161 -13.044 -7.566 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -7.350 -12.905 -8.016 1.00 0.00 N ATOM 0 H ASN A 91 -5.975 -9.967 -5.951 1.00 0.00 H new ATOM 0 HA ASN A 91 -3.966 -10.872 -7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.941 -10.418 -8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.957 -10.887 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.498 -13.895 -7.819 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.135 -12.319 -8.299 1.00 0.00 H new ATOM 1535 N ASP A 92 -3.989 -8.906 -9.575 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.657 -7.701 -10.370 1.00 0.00 C ATOM 1537 C ASP A 92 -4.895 -6.814 -10.602 1.00 0.00 C ATOM 1538 O ASP A 92 -4.823 -5.592 -10.460 1.00 0.00 O ATOM 1539 CB ASP A 92 -3.043 -8.100 -11.715 1.00 0.00 C ATOM 1540 CG ASP A 92 -1.629 -8.655 -11.621 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -1.033 -8.539 -10.576 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -1.214 -9.327 -12.536 1.00 0.00 O ATOM 0 H ASP A 92 -3.702 -9.776 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.930 -7.123 -9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.683 -8.847 -12.185 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.035 -7.229 -12.370 1.00 0.00 H new ATOM 1547 N SER A 93 -6.021 -7.465 -10.958 1.00 0.00 N ATOM 1548 CA SER A 93 -7.317 -6.807 -11.213 1.00 0.00 C ATOM 1549 C SER A 93 -7.904 -6.122 -9.955 1.00 0.00 C ATOM 1550 O SER A 93 -8.707 -5.190 -10.074 1.00 0.00 O ATOM 1551 CB SER A 93 -8.303 -7.821 -11.760 1.00 0.00 C ATOM 1552 OG SER A 93 -8.623 -8.806 -10.816 1.00 0.00 O ATOM 0 H SER A 93 -6.055 -8.477 -11.078 1.00 0.00 H new ATOM 0 HA SER A 93 -7.140 -6.019 -11.945 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.213 -7.309 -12.072 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.882 -8.293 -12.648 1.00 0.00 H new ATOM 0 HG SER A 93 -9.262 -9.438 -11.207 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.492 -6.581 -8.753 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.925 -5.974 -7.473 1.00 0.00 C ATOM 1560 C ASN A 94 -7.266 -4.599 -7.244 1.00 0.00 C ATOM 1561 O ASN A 94 -7.715 -3.827 -6.397 1.00 0.00 O ATOM 1562 CB ASN A 94 -7.636 -6.891 -6.299 1.00 0.00 C ATOM 1563 CG ASN A 94 -8.554 -8.079 -6.219 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -9.631 -8.099 -6.826 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -8.172 -9.035 -5.411 1.00 0.00 N ATOM 0 H ASN A 94 -6.858 -7.372 -8.641 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.003 -5.829 -7.542 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.607 -7.243 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.715 -6.319 -5.375 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.773 -9.845 -5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.273 -8.970 -4.934 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.242 -4.295 -8.052 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.437 -3.068 -7.934 1.00 0.00 C ATOM 1574 C VAL A 95 -5.800 -2.072 -9.067 1.00 0.00 C ATOM 1575 O VAL A 95 -5.736 -2.435 -10.248 1.00 0.00 O ATOM 1576 CB VAL A 95 -3.928 -3.374 -7.985 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -3.120 -2.090 -7.871 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.544 -4.343 -6.876 1.00 0.00 C ATOM 0 H VAL A 95 -5.944 -4.901 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.665 -2.621 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.703 -3.840 -8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.056 -2.325 -7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.374 -1.425 -8.697 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.350 -1.598 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.475 -4.548 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.783 -3.902 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.098 -5.274 -6.998 1.00 0.00 H new ATOM 1588 N THR A 96 -6.244 -0.846 -8.696 1.00 0.00 N ATOM 1589 CA THR A 96 -6.568 0.233 -9.659 1.00 0.00 C ATOM 1590 C THR A 96 -5.811 1.531 -9.299 1.00 0.00 C ATOM 1591 O THR A 96 -6.016 2.085 -8.217 1.00 0.00 O ATOM 1592 CB THR A 96 -8.080 0.527 -9.701 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.789 -0.659 -10.086 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.380 1.637 -10.696 1.00 0.00 C ATOM 0 H THR A 96 -6.387 -0.579 -7.722 1.00 0.00 H new ATOM 0 HA THR A 96 -6.254 -0.115 -10.643 1.00 0.00 H new ATOM 0 HB THR A 96 -8.401 0.846 -8.709 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.751 -0.472 -10.111 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.452 1.831 -10.712 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.852 2.543 -10.400 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.051 1.333 -11.690 1.00 0.00 H new ATOM 1602 N TRP A 97 -4.948 1.997 -10.220 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.178 3.247 -10.056 1.00 0.00 C ATOM 1604 C TRP A 97 -4.952 4.465 -10.622 1.00 0.00 C ATOM 1605 O TRP A 97 -5.485 4.405 -11.738 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.817 3.125 -10.743 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.752 2.543 -9.862 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.374 1.236 -9.796 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -0.929 3.247 -8.924 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.369 1.080 -8.874 1.00 0.00 N ATOM 1611 CE2 TRP A 97 -0.076 2.303 -8.326 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.832 4.590 -8.534 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 0.857 2.651 -7.363 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.104 4.938 -7.567 1.00 0.00 C ATOM 1615 CH2 TRP A 97 0.925 3.996 -6.999 1.00 0.00 C ATOM 0 H TRP A 97 -4.763 1.518 -11.101 1.00 0.00 H new ATOM 0 HA TRP A 97 -4.027 3.409 -8.989 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.922 2.503 -11.632 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.499 4.112 -11.080 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.803 0.438 -10.384 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.086 0.199 -8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.472 5.339 -8.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.504 1.913 -6.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.187 5.969 -7.257 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.641 4.304 -6.252 1.00 0.00 H new ATOM 1626 N ASP A 98 -5.022 5.550 -9.831 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.524 6.872 -10.273 1.00 0.00 C ATOM 1628 C ASP A 98 -4.529 7.942 -9.795 1.00 0.00 C ATOM 1629 O ASP A 98 -4.592 8.394 -8.643 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.927 7.152 -9.728 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.538 8.462 -10.209 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -6.870 9.186 -10.909 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.713 8.656 -10.005 1.00 0.00 O ATOM 0 H ASP A 98 -4.729 5.538 -8.854 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.602 6.887 -11.360 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.585 6.331 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.885 7.163 -8.639 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.577 8.292 -10.679 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.556 9.299 -10.385 1.00 0.00 C ATOM 1640 C GLY A 99 -1.564 8.819 -9.330 1.00 0.00 C ATOM 1641 O GLY A 99 -0.960 7.749 -9.481 1.00 0.00 O ATOM 0 H GLY A 99 -3.499 7.884 -11.611 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.019 9.548 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.038 10.213 -10.039 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.430 9.594 -8.239 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.485 9.306 -7.134 1.00 0.00 C ATOM 1647 C ASP A 100 -1.129 8.397 -6.067 1.00 0.00 C ATOM 1648 O ASP A 100 -0.502 8.089 -5.046 1.00 0.00 O ATOM 1649 CB ASP A 100 0.001 10.606 -6.490 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.090 11.407 -5.791 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.209 10.954 -5.766 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.767 12.383 -5.157 1.00 0.00 O ATOM 0 H ASP A 100 -1.975 10.444 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 100 0.369 8.779 -7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.781 10.370 -5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.457 11.230 -7.259 1.00 0.00 H new ATOM 1657 N THR A 101 -2.388 7.993 -6.293 1.00 0.00 N ATOM 1658 CA THR A 101 -3.186 7.216 -5.331 1.00 0.00 C ATOM 1659 C THR A 101 -3.710 5.935 -6.009 1.00 0.00 C ATOM 1660 O THR A 101 -4.233 5.990 -7.124 1.00 0.00 O ATOM 1661 CB THR A 101 -4.372 8.028 -4.777 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.887 9.226 -4.157 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.146 7.210 -3.754 1.00 0.00 C ATOM 0 H THR A 101 -2.887 8.199 -7.159 1.00 0.00 H new ATOM 0 HA THR A 101 -2.538 6.960 -4.493 1.00 0.00 H new ATOM 0 HB THR A 101 -5.036 8.282 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.414 9.770 -4.821 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.980 7.799 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.527 6.304 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.486 6.940 -2.930 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.524 4.792 -5.337 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.978 3.479 -5.811 1.00 0.00 C ATOM 1673 C VAL A 102 -5.058 2.948 -4.835 1.00 0.00 C ATOM 1674 O VAL A 102 -4.927 3.073 -3.616 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.819 2.469 -5.913 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -2.208 2.220 -4.542 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.303 1.164 -6.525 1.00 0.00 C ATOM 0 H VAL A 102 -3.047 4.753 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.390 3.596 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.051 2.890 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.391 1.504 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.826 3.158 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.969 1.819 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.472 0.462 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.089 0.739 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.696 1.354 -7.524 1.00 0.00 H new ATOM 1687 N THR A 103 -6.156 2.420 -5.392 1.00 0.00 N ATOM 1688 CA THR A 103 -7.234 1.789 -4.624 1.00 0.00 C ATOM 1689 C THR A 103 -7.207 0.279 -4.910 1.00 0.00 C ATOM 1690 O THR A 103 -7.252 -0.143 -6.070 1.00 0.00 O ATOM 1691 CB THR A 103 -8.618 2.366 -4.977 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.662 3.756 -4.632 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.713 1.624 -4.226 1.00 0.00 C ATOM 0 H THR A 103 -6.321 2.420 -6.399 1.00 0.00 H new ATOM 0 HA THR A 103 -7.070 1.989 -3.565 1.00 0.00 H new ATOM 0 HB THR A 103 -8.782 2.246 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.580 3.855 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.684 2.045 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.690 0.569 -4.498 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.551 1.725 -3.153 1.00 0.00 H new ATOM 1701 N VAL A 104 -7.077 -0.512 -3.844 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.932 -1.970 -3.911 1.00 0.00 C ATOM 1703 C VAL A 104 -8.027 -2.600 -3.045 1.00 0.00 C ATOM 1704 O VAL A 104 -8.096 -2.326 -1.854 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.547 -2.444 -3.429 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.447 -3.960 -3.510 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.446 -1.793 -4.252 1.00 0.00 C ATOM 0 H VAL A 104 -7.069 -0.151 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.028 -2.280 -4.952 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.422 -2.145 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.463 -4.279 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.215 -4.409 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.592 -4.280 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.475 -2.139 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.568 -2.063 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.506 -0.710 -4.147 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.892 -3.432 -3.646 1.00 0.00 N ATOM 1718 CA GLU A 105 -10.047 -4.023 -2.948 1.00 0.00 C ATOM 1719 C GLU A 105 -10.081 -5.530 -3.220 1.00 0.00 C ATOM 1720 O GLU A 105 -9.903 -5.961 -4.366 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.357 -3.369 -3.394 1.00 0.00 C ATOM 1722 CG GLU A 105 -12.600 -3.920 -2.711 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.825 -3.133 -3.086 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.707 -2.224 -3.871 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -14.897 -3.510 -2.676 1.00 0.00 O ATOM 0 H GLU A 105 -8.812 -3.713 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.940 -3.847 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.297 -2.298 -3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.463 -3.495 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.737 -4.965 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.465 -3.893 -1.630 1.00 0.00 H new ATOM 1732 N GLY A 106 -10.291 -6.319 -2.156 1.00 0.00 N ATOM 1733 CA GLY A 106 -10.283 -7.781 -2.238 1.00 0.00 C ATOM 1734 C GLY A 106 -10.731 -8.437 -0.945 1.00 0.00 C ATOM 1735 O GLY A 106 -10.911 -7.753 0.076 1.00 0.00 O ATOM 0 H GLY A 106 -10.470 -5.960 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.937 -8.100 -3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.278 -8.122 -2.486 1.00 0.00 H new ATOM 1739 N GLN A 107 -10.923 -9.767 -0.993 1.00 0.00 N ATOM 1740 CA GLN A 107 -11.415 -10.538 0.157 1.00 0.00 C ATOM 1741 C GLN A 107 -10.289 -10.733 1.181 1.00 0.00 C ATOM 1742 O GLN A 107 -9.150 -11.051 0.810 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.956 -11.898 -0.291 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.529 -12.742 0.835 1.00 0.00 C ATOM 1745 CD GLN A 107 -13.197 -14.006 0.329 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -13.292 -14.234 -0.880 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -13.670 -14.835 1.252 1.00 0.00 N ATOM 0 H GLN A 107 -10.743 -10.331 -1.823 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.228 -9.980 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.731 -11.739 -1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.153 -12.454 -0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.731 -13.009 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.253 -12.151 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.570 -14.607 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.133 -15.699 0.972 1.00 0.00 H new ATOM 1756 N LEU A 108 -10.607 -10.504 2.466 1.00 0.00 N ATOM 1757 CA LEU A 108 -9.634 -10.625 3.559 1.00 0.00 C ATOM 1758 C LEU A 108 -9.503 -12.113 3.941 1.00 0.00 C ATOM 1759 O LEU A 108 -10.514 -12.794 4.164 1.00 0.00 O ATOM 1760 CB LEU A 108 -10.061 -9.780 4.766 1.00 0.00 C ATOM 1761 CG LEU A 108 -9.071 -9.767 5.937 1.00 0.00 C ATOM 1762 CD1 LEU A 108 -7.750 -9.150 5.496 1.00 0.00 C ATOM 1763 CD2 LEU A 108 -9.668 -8.989 7.100 1.00 0.00 C ATOM 0 H LEU A 108 -11.541 -10.231 2.773 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.665 -10.249 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.219 -8.754 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.021 -10.150 5.127 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.879 -10.789 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.053 -9.145 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.330 -9.736 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.920 -8.127 5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.964 -8.980 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.872 -7.965 6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.597 -9.463 7.416 1.00 0.00 H new ATOM 1775 N GLU A 109 -8.246 -12.603 3.962 1.00 0.00 N ATOM 1776 CA GLU A 109 -7.899 -14.025 4.196 1.00 0.00 C ATOM 1777 C GLU A 109 -8.565 -14.960 3.145 1.00 0.00 C ATOM 1778 O GLU A 109 -8.690 -16.171 3.353 1.00 0.00 O ATOM 1779 CB GLU A 109 -8.311 -14.443 5.609 1.00 0.00 C ATOM 1780 CG GLU A 109 -7.513 -13.776 6.720 1.00 0.00 C ATOM 1781 CD GLU A 109 -7.930 -14.283 8.073 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -7.776 -15.454 8.320 1.00 0.00 O ATOM 1783 OE2 GLU A 109 -8.298 -13.480 8.898 1.00 0.00 O ATOM 0 H GLU A 109 -7.427 -12.013 3.814 1.00 0.00 H new ATOM 0 HA GLU A 109 -6.819 -14.124 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.367 -14.214 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.205 -15.524 5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.450 -13.965 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.655 -12.696 6.674 1.00 0.00 H new ATOM 1790 N GLY A 110 -8.950 -14.379 1.993 1.00 0.00 N ATOM 1791 CA GLY A 110 -9.619 -15.118 0.921 1.00 0.00 C ATOM 1792 C GLY A 110 -8.702 -16.155 0.288 1.00 0.00 C ATOM 1793 O GLY A 110 -9.159 -17.070 -0.410 1.00 0.00 O ATOM 0 H GLY A 110 -8.805 -13.391 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -10.505 -15.612 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.960 -14.420 0.156 1.00 0.00 H new ATOM 1797 N VAL A 111 -7.389 -16.012 0.559 1.00 0.00 N ATOM 1798 CA VAL A 111 -6.348 -16.926 0.033 1.00 0.00 C ATOM 1799 C VAL A 111 -5.815 -17.874 1.135 1.00 0.00 C ATOM 1800 O VAL A 111 -4.963 -18.730 0.872 1.00 0.00 O ATOM 1801 CB VAL A 111 -5.165 -16.145 -0.570 1.00 0.00 C ATOM 1802 CG1 VAL A 111 -5.636 -15.273 -1.725 1.00 0.00 C ATOM 1803 CG2 VAL A 111 -4.489 -15.295 0.495 1.00 0.00 C ATOM 0 H VAL A 111 -7.019 -15.264 1.146 1.00 0.00 H new ATOM 0 HA VAL A 111 -6.823 -17.519 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.438 -16.862 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.788 -14.728 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.077 -15.901 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.382 -14.564 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.656 -14.750 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.208 -14.586 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.118 -15.938 1.293 1.00 0.00 H new ATOM 1813 N ASP A 112 -6.353 -17.717 2.356 1.00 0.00 N ATOM 1814 CA ASP A 112 -5.965 -18.512 3.534 1.00 0.00 C ATOM 1815 C ASP A 112 -7.132 -18.519 4.526 1.00 0.00 C ATOM 1816 O ASP A 112 -7.034 -17.945 5.611 1.00 0.00 O ATOM 1817 CB ASP A 112 -4.700 -17.953 4.191 1.00 0.00 C ATOM 1818 CG ASP A 112 -4.116 -18.837 5.284 1.00 0.00 C ATOM 1819 OD1 ASP A 112 -4.566 -19.949 5.425 1.00 0.00 O ATOM 1820 OD2 ASP A 112 -3.126 -18.455 5.862 1.00 0.00 O ATOM 0 H ASP A 112 -7.077 -17.027 2.555 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.740 -19.531 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -3.943 -17.799 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -4.927 -16.975 4.614 1.00 0.00 H new ATOM 1825 N LEU A 113 -8.233 -19.170 4.125 1.00 0.00 N ATOM 1826 CA LEU A 113 -9.429 -19.332 4.968 1.00 0.00 C ATOM 1827 C LEU A 113 -9.273 -20.532 5.924 1.00 0.00 C ATOM 1828 O LEU A 113 -9.682 -20.475 7.089 1.00 0.00 O ATOM 1829 CB LEU A 113 -10.677 -19.504 4.091 1.00 0.00 C ATOM 1830 CG LEU A 113 -11.059 -18.276 3.253 1.00 0.00 C ATOM 1831 CD1 LEU A 113 -12.188 -18.631 2.294 1.00 0.00 C ATOM 1832 CD2 LEU A 113 -11.473 -17.140 4.177 1.00 0.00 C ATOM 0 H LEU A 113 -8.321 -19.601 3.205 1.00 0.00 H new ATOM 0 HA LEU A 113 -9.545 -18.432 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -10.516 -20.347 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -11.520 -19.763 4.732 1.00 0.00 H new ATOM 0 HG LEU A 113 -10.200 -17.954 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -12.453 -17.754 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.863 -19.431 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -13.057 -18.962 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -11.744 -16.268 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -12.329 -17.452 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -10.643 -16.886 4.836 1.00 0.00 H new ATOM 1844 N GLU A 114 -8.648 -21.606 5.416 1.00 0.00 N ATOM 1845 CA GLU A 114 -8.398 -22.841 6.188 1.00 0.00 C ATOM 1846 C GLU A 114 -7.178 -22.721 7.119 1.00 0.00 C ATOM 1847 O GLU A 114 -6.034 -22.629 6.664 1.00 0.00 O ATOM 1848 CB GLU A 114 -8.208 -24.025 5.239 1.00 0.00 C ATOM 1849 CG GLU A 114 -8.089 -25.374 5.935 1.00 0.00 C ATOM 1850 CD GLU A 114 -9.374 -25.754 6.615 1.00 0.00 C ATOM 1851 OE1 GLU A 114 -10.381 -25.809 5.952 1.00 0.00 O ATOM 1852 OE2 GLU A 114 -9.331 -26.099 7.773 1.00 0.00 O ATOM 0 H GLU A 114 -8.300 -21.646 4.458 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.273 -23.004 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.050 -24.059 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.311 -23.857 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.821 -26.139 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.284 -25.337 6.669 1.00 0.00 H new ATOM 1859 N HIS A 115 -7.454 -22.689 8.430 1.00 0.00 N ATOM 1860 CA HIS A 115 -6.426 -22.580 9.487 1.00 0.00 C ATOM 1861 C HIS A 115 -6.393 -23.861 10.350 1.00 0.00 C ATOM 1862 O HIS A 115 -5.477 -24.035 11.167 1.00 0.00 O ATOM 1863 CB HIS A 115 -6.683 -21.356 10.373 1.00 0.00 C ATOM 1864 CG HIS A 115 -6.594 -20.054 9.639 1.00 0.00 C ATOM 1865 ND1 HIS A 115 -5.407 -19.564 9.136 1.00 0.00 N ATOM 1866 CD2 HIS A 115 -7.543 -19.142 9.323 1.00 0.00 C ATOM 1867 CE1 HIS A 115 -5.631 -18.404 8.541 1.00 0.00 C ATOM 1868 NE2 HIS A 115 -6.918 -18.127 8.642 1.00 0.00 N ATOM 0 H HIS A 115 -8.405 -22.738 8.795 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.457 -22.460 9.002 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.673 -21.444 10.821 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -5.962 -21.352 11.191 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -8.595 -19.202 9.562 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -4.888 -17.789 8.056 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.375 -17.293 8.273 1.00 0.00 H new ATOM 1876 N HIS A 116 -7.400 -24.748 10.173 1.00 0.00 N ATOM 1877 CA HIS A 116 -7.485 -26.020 10.918 1.00 0.00 C ATOM 1878 C HIS A 116 -6.645 -27.079 10.194 1.00 0.00 C ATOM 1879 O HIS A 116 -5.621 -27.548 10.715 1.00 0.00 O ATOM 1880 CB HIS A 116 -8.936 -26.494 11.057 1.00 0.00 C ATOM 1881 CG HIS A 116 -9.095 -27.704 11.923 1.00 0.00 C ATOM 1882 ND1 HIS A 116 -8.845 -28.982 11.467 1.00 0.00 N ATOM 1883 CD2 HIS A 116 -9.476 -27.833 13.215 1.00 0.00 C ATOM 1884 CE1 HIS A 116 -9.067 -29.845 12.445 1.00 0.00 C ATOM 1885 NE2 HIS A 116 -9.451 -29.173 13.514 1.00 0.00 N ATOM 0 H HIS A 116 -8.167 -24.602 9.517 1.00 0.00 H new ATOM 0 HA HIS A 116 -7.097 -25.863 11.925 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -9.536 -25.682 11.469 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -9.334 -26.713 10.066 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -9.749 -27.032 13.886 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.953 -30.917 12.380 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -9.691 -29.583 14.417 1.00 0.00 H new ATOM 1893 N HIS A 117 -7.076 -27.425 8.969 1.00 0.00 N ATOM 1894 CA HIS A 117 -6.370 -28.383 8.115 1.00 0.00 C ATOM 1895 C HIS A 117 -5.314 -27.615 7.295 1.00 0.00 C ATOM 1896 O HIS A 117 -5.438 -27.471 6.076 1.00 0.00 O ATOM 1897 CB HIS A 117 -7.341 -29.129 7.193 1.00 0.00 C ATOM 1898 CG HIS A 117 -8.366 -29.937 7.926 1.00 0.00 C ATOM 1899 ND1 HIS A 117 -8.047 -31.073 8.640 1.00 0.00 N ATOM 1900 CD2 HIS A 117 -9.704 -29.774 8.056 1.00 0.00 C ATOM 1901 CE1 HIS A 117 -9.146 -31.575 9.178 1.00 0.00 C ATOM 1902 NE2 HIS A 117 -10.164 -30.805 8.838 1.00 0.00 N ATOM 0 H HIS A 117 -7.924 -27.046 8.547 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.884 -29.135 8.737 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.849 -28.407 6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.772 -29.788 6.538 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -10.298 -28.982 7.625 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -9.202 -32.463 9.791 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -11.135 -30.952 9.112 1.00 0.00 H new ATOM 1910 N HIS A 118 -4.326 -27.052 8.014 1.00 0.00 N ATOM 1911 CA HIS A 118 -3.232 -26.270 7.422 1.00 0.00 C ATOM 1912 C HIS A 118 -1.939 -26.536 8.210 1.00 0.00 C ATOM 1913 O HIS A 118 -1.672 -25.873 9.217 1.00 0.00 O ATOM 1914 CB HIS A 118 -3.561 -24.773 7.415 1.00 0.00 C ATOM 1915 CG HIS A 118 -2.562 -23.942 6.672 1.00 0.00 C ATOM 1916 ND1 HIS A 118 -2.671 -22.571 6.562 1.00 0.00 N ATOM 1917 CD2 HIS A 118 -1.437 -24.286 6.001 1.00 0.00 C ATOM 1918 CE1 HIS A 118 -1.653 -22.109 5.855 1.00 0.00 C ATOM 1919 NE2 HIS A 118 -0.892 -23.128 5.504 1.00 0.00 N ATOM 0 H HIS A 118 -4.266 -27.129 9.029 1.00 0.00 H new ATOM 0 HA HIS A 118 -3.098 -26.579 6.385 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -4.545 -24.628 6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -3.622 -24.418 8.444 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -1.043 -25.284 5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.475 -21.073 5.607 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -0.036 -23.066 4.952 1.00 0.00 H new ATOM 1927 N HIS A 119 -1.181 -27.560 7.779 1.00 0.00 N ATOM 1928 CA HIS A 119 0.058 -28.025 8.458 1.00 0.00 C ATOM 1929 C HIS A 119 1.233 -28.024 7.454 1.00 0.00 C ATOM 1930 O HIS A 119 2.034 -28.966 7.419 1.00 0.00 O ATOM 1931 CB HIS A 119 -0.130 -29.423 9.056 1.00 0.00 C ATOM 1932 CG HIS A 119 -1.252 -29.510 10.043 1.00 0.00 C ATOM 1933 ND1 HIS A 119 -1.191 -28.932 11.293 1.00 0.00 N ATOM 1934 CD2 HIS A 119 -2.465 -30.108 9.964 1.00 0.00 C ATOM 1935 CE1 HIS A 119 -2.317 -29.171 11.941 1.00 0.00 C ATOM 1936 NE2 HIS A 119 -3.106 -29.882 11.157 1.00 0.00 N ATOM 0 H HIS A 119 -1.407 -28.098 6.942 1.00 0.00 H new ATOM 0 HA HIS A 119 0.281 -27.340 9.276 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.312 -30.132 8.249 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.796 -29.727 9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.855 -30.659 9.121 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.552 -28.841 12.942 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.041 -30.210 11.399 1.00 0.00 H new ATOM 1944 N HIS A 120 1.346 -26.932 6.669 1.00 0.00 N ATOM 1945 CA HIS A 120 2.374 -26.797 5.610 1.00 0.00 C ATOM 1946 C HIS A 120 3.262 -25.559 5.927 1.00 0.00 C ATOM 1947 O HIS A 120 2.956 -24.437 5.459 1.00 0.00 O ATOM 1948 CB HIS A 120 1.730 -26.661 4.226 1.00 0.00 C ATOM 1949 CG HIS A 120 0.834 -27.805 3.865 1.00 0.00 C ATOM 1950 ND1 HIS A 120 1.305 -28.965 3.288 1.00 0.00 N ATOM 1951 CD2 HIS A 120 -0.503 -27.965 3.998 1.00 0.00 C ATOM 1952 CE1 HIS A 120 0.294 -29.792 3.082 1.00 0.00 C ATOM 1953 NE2 HIS A 120 -0.813 -29.209 3.504 1.00 0.00 N ATOM 1954 OXT HIS A 120 4.237 -25.680 6.618 1.00 0.00 O ATOM 0 H HIS A 120 0.732 -26.122 6.749 1.00 0.00 H new ATOM 0 HA HIS A 120 2.990 -27.696 5.593 1.00 0.00 H new ATOM 0 HB2 HIS A 120 1.155 -25.736 4.192 1.00 0.00 H new ATOM 0 HB3 HIS A 120 2.516 -26.576 3.476 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -1.196 -27.249 4.414 1.00 0.00 H new ATOM 0 HE1 HIS A 120 0.362 -30.777 2.643 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -1.747 -29.616 3.469 1.00 0.00 H new TER 1962 HIS A 120