USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 706 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 106 HIS : no HD1:sc= -0.283 X(o=-0.52,f=-0.32) USER MOD Set 1.2: A 110 HIS : no HD1:sc= -0.241 X(o=-0.52,f=-0.73) USER MOD Set 2.1: A 76 SER OG : rot -46:sc= 0.261 USER MOD Set 2.2: A 83 CYS SG : rot 32:sc= -0.305 USER MOD Set 3.1: A 48 ASN : amide:sc= 0.264 X(o=-4.7,f=-5) USER MOD Set 3.2: A 52 ASN : amide:sc= -4.96! C(o=-4.7!,f=-4.7!) USER MOD Set 4.1: A 43 SER OG : rot -30:sc= 1.4 USER MOD Set 4.2: A 46 MET CE :methyl 134:sc= -2.13 (180deg=-6.54!) USER MOD Single : A 27 SER OG : rot -174:sc= 0.267! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -4.15! C(o=-4.2!,f=-7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.77! C(o=-3.8!,f=-5.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0288 X(o=-0.029,f=-0.16) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.29 X(o=-2.3,f=-2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.97 USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= 0.0754 (180deg=-1.31) USER MOD Single : A 64 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -151:sc= -0.842 USER MOD Single : A 80 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.9!) USER MOD Single : A 88 THR OG1 : rot 158:sc= 0.947 USER MOD Single : A 92 MET CE :methyl -178:sc= 0 (180deg=-0.00194) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 94 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.6) USER MOD Single : A 95 MET CE :methyl 160:sc= 0 (180deg=-0.503) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.524 F(o=-1.4,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -7.815 -14.762 -7.396 1.00 0.00 N ATOM 16 CA SER A 27 -8.547 -13.511 -7.554 1.00 0.00 C ATOM 17 C SER A 27 -7.675 -12.319 -7.174 1.00 0.00 C ATOM 18 O SER A 27 -6.456 -12.442 -7.046 1.00 0.00 O ATOM 19 CB SER A 27 -9.818 -13.527 -6.700 1.00 0.00 C ATOM 20 OG SER A 27 -9.556 -13.071 -5.383 1.00 0.00 O ATOM 0 HA SER A 27 -8.826 -13.411 -8.603 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.578 -12.896 -7.162 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.222 -14.539 -6.664 1.00 0.00 H new ATOM 0 HG SER A 27 -10.359 -13.183 -4.832 1.00 0.00 H new ATOM 25 N LYS A 28 -8.304 -11.164 -6.996 1.00 0.00 N ATOM 26 CA LYS A 28 -7.579 -9.955 -6.631 1.00 0.00 C ATOM 27 C LYS A 28 -8.534 -8.791 -6.403 1.00 0.00 C ATOM 28 O LYS A 28 -9.486 -8.596 -7.159 1.00 0.00 O ATOM 29 CB LYS A 28 -6.571 -9.594 -7.723 1.00 0.00 C ATOM 30 CG LYS A 28 -7.202 -9.403 -9.093 1.00 0.00 C ATOM 31 CD LYS A 28 -6.184 -8.917 -10.113 1.00 0.00 C ATOM 32 CE LYS A 28 -5.695 -10.052 -10.997 1.00 0.00 C ATOM 33 NZ LYS A 28 -4.438 -9.698 -11.711 1.00 0.00 N ATOM 0 H LYS A 28 -9.311 -11.040 -7.098 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.047 -10.149 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.053 -8.678 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.818 -10.380 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.635 -10.345 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.019 -8.684 -9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.631 -8.139 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.337 -8.466 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.529 -10.941 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.467 -10.304 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.138 -10.499 -12.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.603 -8.865 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.694 -9.482 -11.017 1.00 0.00 H new ATOM 47 N GLN A 29 -8.267 -8.015 -5.358 1.00 0.00 N ATOM 48 CA GLN A 29 -9.097 -6.862 -5.033 1.00 0.00 C ATOM 49 C GLN A 29 -8.294 -5.578 -5.162 1.00 0.00 C ATOM 50 O GLN A 29 -7.105 -5.541 -4.848 1.00 0.00 O ATOM 51 CB GLN A 29 -9.664 -6.988 -3.616 1.00 0.00 C ATOM 52 CG GLN A 29 -10.160 -8.385 -3.282 1.00 0.00 C ATOM 53 CD GLN A 29 -11.445 -8.371 -2.477 1.00 0.00 C ATOM 54 OE1 GLN A 29 -12.117 -7.344 -2.376 1.00 0.00 O ATOM 55 NE2 GLN A 29 -11.794 -9.514 -1.899 1.00 0.00 N ATOM 0 H GLN A 29 -7.483 -8.164 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.928 -6.829 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.894 -6.704 -2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.486 -6.282 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.321 -8.940 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.390 -8.915 -2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.207 -10.341 -2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.649 -9.565 -1.345 1.00 0.00 H new ATOM 64 N GLU A 30 -8.947 -4.527 -5.639 1.00 0.00 N ATOM 65 CA GLU A 30 -8.286 -3.245 -5.822 1.00 0.00 C ATOM 66 C GLU A 30 -8.984 -2.143 -5.032 1.00 0.00 C ATOM 67 O GLU A 30 -10.151 -1.834 -5.271 1.00 0.00 O ATOM 68 CB GLU A 30 -8.240 -2.895 -7.312 1.00 0.00 C ATOM 69 CG GLU A 30 -9.564 -2.399 -7.873 1.00 0.00 C ATOM 70 CD GLU A 30 -9.675 -0.887 -7.856 1.00 0.00 C ATOM 71 OE1 GLU A 30 -8.632 -0.214 -8.002 1.00 0.00 O ATOM 72 OE2 GLU A 30 -10.803 -0.376 -7.697 1.00 0.00 O ATOM 0 H GLU A 30 -9.932 -4.538 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.268 -3.325 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.480 -2.130 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.927 -3.776 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.677 -2.756 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.383 -2.826 -7.294 1.00 0.00 H new ATOM 79 N LEU A 31 -8.256 -1.551 -4.090 1.00 0.00 N ATOM 80 CA LEU A 31 -8.798 -0.480 -3.266 1.00 0.00 C ATOM 81 C LEU A 31 -8.428 0.882 -3.845 1.00 0.00 C ATOM 82 O LEU A 31 -7.346 1.053 -4.407 1.00 0.00 O ATOM 83 CB LEU A 31 -8.279 -0.598 -1.831 1.00 0.00 C ATOM 84 CG LEU A 31 -8.237 -2.023 -1.273 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.854 -2.628 -1.458 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.631 -2.031 0.197 1.00 0.00 C ATOM 0 H LEU A 31 -7.289 -1.796 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.884 -0.571 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.274 -0.178 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.908 0.012 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.954 -2.630 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.843 -3.641 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.608 -2.657 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.118 -2.021 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.596 -3.052 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.938 -1.409 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.642 -1.638 0.305 1.00 0.00 H new ATOM 98 N ILE A 32 -9.332 1.846 -3.711 1.00 0.00 N ATOM 99 CA ILE A 32 -9.094 3.189 -4.230 1.00 0.00 C ATOM 100 C ILE A 32 -8.946 4.205 -3.102 1.00 0.00 C ATOM 101 O ILE A 32 -9.742 4.230 -2.164 1.00 0.00 O ATOM 102 CB ILE A 32 -10.232 3.640 -5.166 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.583 3.521 -4.461 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.222 2.817 -6.446 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.734 4.092 -5.260 1.00 0.00 C ATOM 0 H ILE A 32 -10.233 1.724 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.163 3.144 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.073 4.686 -5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.783 2.470 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.529 4.033 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.031 3.147 -7.097 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.268 2.950 -6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.359 1.763 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.661 3.973 -4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.557 5.151 -5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.815 3.564 -6.210 1.00 0.00 H new ATOM 117 N LEU A 33 -7.920 5.044 -3.207 1.00 0.00 N ATOM 118 CA LEU A 33 -7.657 6.072 -2.206 1.00 0.00 C ATOM 119 C LEU A 33 -7.826 7.459 -2.818 1.00 0.00 C ATOM 120 O LEU A 33 -7.542 7.664 -3.999 1.00 0.00 O ATOM 121 CB LEU A 33 -6.240 5.899 -1.641 1.00 0.00 C ATOM 122 CG LEU A 33 -5.776 6.963 -0.637 1.00 0.00 C ATOM 123 CD1 LEU A 33 -5.399 8.254 -1.352 1.00 0.00 C ATOM 124 CD2 LEU A 33 -6.842 7.221 0.419 1.00 0.00 C ATOM 0 H LEU A 33 -7.254 5.031 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.373 5.968 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.180 4.924 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.538 5.886 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.888 6.582 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.073 8.993 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.589 8.058 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.264 8.636 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.487 7.979 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.755 7.571 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.049 6.298 0.960 1.00 0.00 H new ATOM 136 N VAL A 34 -8.293 8.408 -2.015 1.00 0.00 N ATOM 137 CA VAL A 34 -8.501 9.771 -2.487 1.00 0.00 C ATOM 138 C VAL A 34 -7.731 10.768 -1.642 1.00 0.00 C ATOM 139 O VAL A 34 -8.082 11.041 -0.495 1.00 0.00 O ATOM 140 CB VAL A 34 -9.993 10.158 -2.494 1.00 0.00 C ATOM 141 CG1 VAL A 34 -10.183 11.524 -3.133 1.00 0.00 C ATOM 142 CG2 VAL A 34 -10.816 9.102 -3.217 1.00 0.00 C ATOM 0 H VAL A 34 -8.534 8.259 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.130 9.802 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.343 10.212 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -11.242 11.783 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.625 12.271 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.818 11.499 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.866 9.393 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.470 9.013 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.702 8.143 -2.711 1.00 0.00 H new ATOM 152 N LEU A 35 -6.677 11.307 -2.228 1.00 0.00 N ATOM 153 CA LEU A 35 -5.827 12.274 -1.564 1.00 0.00 C ATOM 154 C LEU A 35 -6.361 13.691 -1.752 1.00 0.00 C ATOM 155 O LEU A 35 -5.638 14.580 -2.207 1.00 0.00 O ATOM 156 CB LEU A 35 -4.406 12.163 -2.107 1.00 0.00 C ATOM 157 CG LEU A 35 -3.305 12.075 -1.050 1.00 0.00 C ATOM 158 CD1 LEU A 35 -2.098 11.335 -1.588 1.00 0.00 C ATOM 159 CD2 LEU A 35 -2.911 13.474 -0.583 1.00 0.00 C ATOM 0 H LEU A 35 -6.387 11.085 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.821 12.059 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.346 11.280 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.209 13.027 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.690 11.516 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.328 11.285 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.389 10.325 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.707 11.862 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.126 13.399 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.545 14.051 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.780 13.972 -0.153 1.00 0.00 H new ATOM 171 N LYS A 36 -7.628 13.894 -1.408 1.00 0.00 N ATOM 172 CA LYS A 36 -8.257 15.206 -1.546 1.00 0.00 C ATOM 173 C LYS A 36 -7.761 16.161 -0.470 1.00 0.00 C ATOM 174 O LYS A 36 -7.677 15.800 0.704 1.00 0.00 O ATOM 175 CB LYS A 36 -9.777 15.070 -1.470 1.00 0.00 C ATOM 176 CG LYS A 36 -10.520 16.138 -2.255 1.00 0.00 C ATOM 177 CD LYS A 36 -11.900 16.406 -1.669 1.00 0.00 C ATOM 178 CE LYS A 36 -12.266 17.876 -1.758 1.00 0.00 C ATOM 179 NZ LYS A 36 -13.734 18.077 -1.909 1.00 0.00 N ATOM 0 H LYS A 36 -8.240 13.170 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.985 15.616 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.065 14.088 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.086 15.116 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.939 17.060 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.620 15.823 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.644 15.812 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.922 16.087 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.920 18.391 -0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.749 18.328 -2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.941 19.095 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.061 17.608 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.226 17.669 -1.089 1.00 0.00 H new ATOM 193 N GLY A 37 -7.437 17.382 -0.865 1.00 0.00 N ATOM 194 CA GLY A 37 -6.956 18.375 0.081 1.00 0.00 C ATOM 195 C GLY A 37 -5.441 18.388 0.177 1.00 0.00 C ATOM 196 O GLY A 37 -4.886 18.228 1.262 1.00 0.00 O ATOM 0 H GLY A 37 -7.498 17.708 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.308 19.362 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.379 18.172 1.065 1.00 0.00 H new ATOM 200 N GLU A 38 -4.775 18.589 -0.956 1.00 0.00 N ATOM 201 CA GLU A 38 -3.316 18.624 -0.988 1.00 0.00 C ATOM 202 C GLU A 38 -2.822 19.575 -2.074 1.00 0.00 C ATOM 203 O GLU A 38 -3.128 19.395 -3.257 1.00 0.00 O ATOM 204 CB GLU A 38 -2.756 17.223 -1.224 1.00 0.00 C ATOM 205 CG GLU A 38 -1.449 16.966 -0.493 1.00 0.00 C ATOM 206 CD GLU A 38 -1.651 16.667 0.980 1.00 0.00 C ATOM 207 OE1 GLU A 38 -2.724 17.022 1.517 1.00 0.00 O ATOM 208 OE2 GLU A 38 -0.738 16.082 1.598 1.00 0.00 O ATOM 0 H GLU A 38 -5.221 18.730 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.963 18.988 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.493 16.486 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.601 17.077 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.934 16.128 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.802 17.837 -0.597 1.00 0.00 H new ATOM 215 N LEU A 39 -2.056 20.587 -1.673 1.00 0.00 N ATOM 216 CA LEU A 39 -1.516 21.555 -2.620 1.00 0.00 C ATOM 217 C LEU A 39 -0.062 21.882 -2.291 1.00 0.00 C ATOM 218 O LEU A 39 0.373 23.022 -2.432 1.00 0.00 O ATOM 219 CB LEU A 39 -2.356 22.838 -2.584 1.00 0.00 C ATOM 220 CG LEU A 39 -2.187 23.751 -3.808 1.00 0.00 C ATOM 221 CD1 LEU A 39 -2.810 23.108 -5.041 1.00 0.00 C ATOM 222 CD2 LEU A 39 -2.800 25.110 -3.539 1.00 0.00 C ATOM 0 H LEU A 39 -1.797 20.756 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.555 21.120 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.407 22.565 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.095 23.402 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.123 23.888 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.682 23.767 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.321 22.154 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.873 22.942 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.673 25.746 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.863 24.994 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.306 25.569 -2.682 1.00 0.00 H new ATOM 283 N SER A 43 3.723 12.253 -1.285 1.00 0.00 N ATOM 284 CA SER A 43 4.609 11.108 -1.449 1.00 0.00 C ATOM 285 C SER A 43 4.581 10.196 -0.223 1.00 0.00 C ATOM 286 O SER A 43 5.365 9.255 -0.121 1.00 0.00 O ATOM 287 CB SER A 43 6.041 11.586 -1.701 1.00 0.00 C ATOM 288 OG SER A 43 6.738 10.683 -2.541 1.00 0.00 O ATOM 0 HA SER A 43 4.256 10.535 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.023 12.575 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.567 11.685 -0.752 1.00 0.00 H new ATOM 0 HG SER A 43 6.391 9.776 -2.406 1.00 0.00 H new ATOM 294 N LYS A 44 3.667 10.475 0.703 1.00 0.00 N ATOM 295 CA LYS A 44 3.537 9.670 1.913 1.00 0.00 C ATOM 296 C LYS A 44 2.622 8.475 1.678 1.00 0.00 C ATOM 297 O LYS A 44 2.838 7.396 2.230 1.00 0.00 O ATOM 298 CB LYS A 44 2.993 10.523 3.062 1.00 0.00 C ATOM 299 CG LYS A 44 4.077 11.202 3.878 1.00 0.00 C ATOM 300 CD LYS A 44 4.560 10.317 5.017 1.00 0.00 C ATOM 301 CE LYS A 44 5.373 11.098 6.028 1.00 0.00 C ATOM 302 NZ LYS A 44 5.490 10.374 7.325 1.00 0.00 N ATOM 0 H LYS A 44 3.007 11.250 0.638 1.00 0.00 H new ATOM 0 HA LYS A 44 4.527 9.300 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.326 11.283 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.395 9.893 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.917 11.453 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.695 12.140 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.703 9.862 5.513 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.164 9.504 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.369 11.286 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.908 12.070 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.054 10.942 7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.542 10.217 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.957 9.458 7.170 1.00 0.00 H new ATOM 316 N ASN A 45 1.598 8.675 0.855 1.00 0.00 N ATOM 317 CA ASN A 45 0.646 7.615 0.544 1.00 0.00 C ATOM 318 C ASN A 45 1.352 6.412 -0.073 1.00 0.00 C ATOM 319 O ASN A 45 1.096 5.268 0.306 1.00 0.00 O ATOM 320 CB ASN A 45 -0.432 8.132 -0.409 1.00 0.00 C ATOM 321 CG ASN A 45 -1.534 8.880 0.315 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.361 10.033 0.712 1.00 0.00 O ATOM 323 ND2 ASN A 45 -2.676 8.226 0.493 1.00 0.00 N ATOM 0 H ASN A 45 1.406 9.563 0.391 1.00 0.00 H new ATOM 0 HA ASN A 45 0.176 7.299 1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.025 8.790 -1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.864 7.293 -0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.453 8.678 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.776 7.271 0.148 1.00 0.00 H new ATOM 330 N MET A 46 2.240 6.677 -1.025 1.00 0.00 N ATOM 331 CA MET A 46 2.983 5.615 -1.694 1.00 0.00 C ATOM 332 C MET A 46 3.769 4.785 -0.684 1.00 0.00 C ATOM 333 O MET A 46 3.762 3.554 -0.736 1.00 0.00 O ATOM 334 CB MET A 46 3.932 6.205 -2.739 1.00 0.00 C ATOM 335 CG MET A 46 4.895 7.229 -2.172 1.00 0.00 C ATOM 336 SD MET A 46 6.004 7.904 -3.424 1.00 0.00 S ATOM 337 CE MET A 46 4.832 8.539 -4.613 1.00 0.00 C ATOM 0 H MET A 46 2.463 7.618 -1.351 1.00 0.00 H new ATOM 0 HA MET A 46 2.267 4.963 -2.195 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.502 5.397 -3.198 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.344 6.670 -3.531 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.329 8.042 -1.717 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.485 6.768 -1.380 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.130 9.542 -4.918 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.809 7.886 -5.486 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.840 8.576 -4.162 1.00 0.00 H new ATOM 347 N LYS A 47 4.443 5.466 0.236 1.00 0.00 N ATOM 348 CA LYS A 47 5.229 4.792 1.261 1.00 0.00 C ATOM 349 C LYS A 47 4.328 4.033 2.229 1.00 0.00 C ATOM 350 O LYS A 47 4.759 3.078 2.873 1.00 0.00 O ATOM 351 CB LYS A 47 6.080 5.804 2.026 1.00 0.00 C ATOM 352 CG LYS A 47 6.926 6.687 1.125 1.00 0.00 C ATOM 353 CD LYS A 47 7.871 7.566 1.932 1.00 0.00 C ATOM 354 CE LYS A 47 9.326 7.240 1.639 1.00 0.00 C ATOM 355 NZ LYS A 47 9.816 7.931 0.413 1.00 0.00 N ATOM 0 H LYS A 47 4.460 6.484 0.292 1.00 0.00 H new ATOM 0 HA LYS A 47 5.884 4.075 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.427 6.434 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.734 5.270 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.502 6.064 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.276 7.314 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.679 8.614 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.675 7.432 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.941 7.531 2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.439 6.163 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.812 7.682 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.246 7.634 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.733 8.960 0.538 1.00 0.00 H new ATOM 369 N ASN A 48 3.071 4.461 2.323 1.00 0.00 N ATOM 370 CA ASN A 48 2.110 3.818 3.210 1.00 0.00 C ATOM 371 C ASN A 48 1.694 2.458 2.659 1.00 0.00 C ATOM 372 O ASN A 48 1.573 1.485 3.404 1.00 0.00 O ATOM 373 CB ASN A 48 0.880 4.708 3.397 1.00 0.00 C ATOM 374 CG ASN A 48 0.877 5.414 4.739 1.00 0.00 C ATOM 375 OD1 ASN A 48 0.543 4.821 5.765 1.00 0.00 O ATOM 376 ND2 ASN A 48 1.249 6.689 4.738 1.00 0.00 N ATOM 0 H ASN A 48 2.696 5.250 1.796 1.00 0.00 H new ATOM 0 HA ASN A 48 2.587 3.668 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.847 5.450 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.021 4.102 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.266 7.216 5.611 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.518 7.141 3.864 1.00 0.00 H new ATOM 383 N VAL A 49 1.477 2.396 1.348 1.00 0.00 N ATOM 384 CA VAL A 49 1.076 1.154 0.699 1.00 0.00 C ATOM 385 C VAL A 49 2.202 0.129 0.744 1.00 0.00 C ATOM 386 O VAL A 49 1.992 -1.024 1.125 1.00 0.00 O ATOM 387 CB VAL A 49 0.671 1.387 -0.769 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.051 0.129 -1.358 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.288 2.566 -0.883 1.00 0.00 C ATOM 0 H VAL A 49 1.572 3.191 0.716 1.00 0.00 H new ATOM 0 HA VAL A 49 0.214 0.775 1.248 1.00 0.00 H new ATOM 0 HB VAL A 49 1.569 1.625 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.229 0.313 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.773 -0.687 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.836 -0.142 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.561 2.713 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.185 2.363 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.196 3.466 -0.504 1.00 0.00 H new ATOM 399 N ILE A 50 3.400 0.555 0.357 1.00 0.00 N ATOM 400 CA ILE A 50 4.561 -0.328 0.357 1.00 0.00 C ATOM 401 C ILE A 50 4.852 -0.842 1.763 1.00 0.00 C ATOM 402 O ILE A 50 5.200 -2.009 1.948 1.00 0.00 O ATOM 403 CB ILE A 50 5.812 0.388 -0.194 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.986 -0.587 -0.278 1.00 0.00 C ATOM 405 CG2 ILE A 50 6.165 1.585 0.675 1.00 0.00 C ATOM 406 CD1 ILE A 50 8.030 -0.188 -1.303 1.00 0.00 C ATOM 0 H ILE A 50 3.592 1.505 0.040 1.00 0.00 H new ATOM 0 HA ILE A 50 4.325 -1.171 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 50 5.594 0.750 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.459 -0.660 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.607 -1.579 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.050 2.079 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.331 2.286 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.368 1.249 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.834 -0.924 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.572 -0.143 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.436 0.791 -1.047 1.00 0.00 H new ATOM 418 N ASN A 51 4.705 0.034 2.751 1.00 0.00 N ATOM 419 CA ASN A 51 4.948 -0.333 4.141 1.00 0.00 C ATOM 420 C ASN A 51 3.831 -1.229 4.667 1.00 0.00 C ATOM 421 O ASN A 51 4.089 -2.232 5.332 1.00 0.00 O ATOM 422 CB ASN A 51 5.064 0.920 5.011 1.00 0.00 C ATOM 423 CG ASN A 51 6.481 1.447 5.079 1.00 0.00 C ATOM 424 OD1 ASN A 51 6.975 2.042 4.124 1.00 0.00 O ATOM 425 ND2 ASN A 51 7.135 1.227 6.210 1.00 0.00 N ATOM 0 H ASN A 51 4.419 1.003 2.615 1.00 0.00 H new ATOM 0 HA ASN A 51 5.887 -0.885 4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.409 1.696 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.715 0.693 6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.094 1.557 6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.679 0.727 6.974 1.00 0.00 H new ATOM 432 N ASN A 52 2.591 -0.863 4.361 1.00 0.00 N ATOM 433 CA ASN A 52 1.436 -1.636 4.801 1.00 0.00 C ATOM 434 C ASN A 52 1.413 -3.002 4.125 1.00 0.00 C ATOM 435 O ASN A 52 1.236 -4.028 4.781 1.00 0.00 O ATOM 436 CB ASN A 52 0.140 -0.880 4.501 1.00 0.00 C ATOM 437 CG ASN A 52 -0.160 0.183 5.540 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.085 1.379 5.261 1.00 0.00 O ATOM 439 ND2 ASN A 52 -0.499 -0.251 6.749 1.00 0.00 N ATOM 0 H ASN A 52 2.360 -0.036 3.810 1.00 0.00 H new ATOM 0 HA ASN A 52 1.516 -1.783 5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.213 -0.414 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.689 -1.587 4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.710 0.417 7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.549 -1.252 6.936 1.00 0.00 H new ATOM 446 N ALA A 53 1.603 -3.008 2.809 1.00 0.00 N ATOM 447 CA ALA A 53 1.612 -4.249 2.045 1.00 0.00 C ATOM 448 C ALA A 53 2.682 -5.200 2.575 1.00 0.00 C ATOM 449 O ALA A 53 2.529 -6.422 2.516 1.00 0.00 O ATOM 450 CB ALA A 53 1.841 -3.956 0.569 1.00 0.00 C ATOM 0 H ALA A 53 1.753 -2.168 2.251 1.00 0.00 H new ATOM 0 HA ALA A 53 0.642 -4.732 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.846 -4.891 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.042 -3.314 0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.799 -3.453 0.442 1.00 0.00 H new ATOM 456 N LYS A 54 3.761 -4.630 3.102 1.00 0.00 N ATOM 457 CA LYS A 54 4.856 -5.421 3.650 1.00 0.00 C ATOM 458 C LYS A 54 4.499 -5.945 5.036 1.00 0.00 C ATOM 459 O LYS A 54 4.638 -7.135 5.316 1.00 0.00 O ATOM 460 CB LYS A 54 6.134 -4.583 3.722 1.00 0.00 C ATOM 461 CG LYS A 54 6.936 -4.584 2.429 1.00 0.00 C ATOM 462 CD LYS A 54 8.258 -3.864 2.597 1.00 0.00 C ATOM 463 CE LYS A 54 8.929 -3.599 1.257 1.00 0.00 C ATOM 464 NZ LYS A 54 10.378 -3.303 1.405 1.00 0.00 N ATOM 0 H LYS A 54 3.900 -3.621 3.161 1.00 0.00 H new ATOM 0 HA LYS A 54 5.027 -6.271 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.871 -3.556 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.761 -4.961 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.117 -5.611 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.357 -4.105 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.094 -2.919 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.920 -4.461 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.801 -4.467 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.437 -2.760 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.794 -3.129 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.501 -2.459 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.854 -4.113 1.850 1.00 0.00 H new ATOM 478 N LYS A 55 4.035 -5.046 5.899 1.00 0.00 N ATOM 479 CA LYS A 55 3.654 -5.417 7.257 1.00 0.00 C ATOM 480 C LYS A 55 2.561 -6.479 7.236 1.00 0.00 C ATOM 481 O LYS A 55 2.506 -7.346 8.109 1.00 0.00 O ATOM 482 CB LYS A 55 3.174 -4.187 8.030 1.00 0.00 C ATOM 483 CG LYS A 55 3.218 -4.362 9.539 1.00 0.00 C ATOM 484 CD LYS A 55 3.103 -3.027 10.262 1.00 0.00 C ATOM 485 CE LYS A 55 4.356 -2.717 11.066 1.00 0.00 C ATOM 486 NZ LYS A 55 4.037 -2.057 12.363 1.00 0.00 N ATOM 0 H LYS A 55 3.914 -4.057 5.682 1.00 0.00 H new ATOM 0 HA LYS A 55 4.530 -5.829 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.790 -3.331 7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.152 -3.955 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.406 -5.018 9.854 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.150 -4.851 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.930 -2.233 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.239 -3.045 10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.904 -3.640 11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.011 -2.071 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.918 -1.863 12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.537 -1.163 12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.433 -2.684 12.932 1.00 0.00 H new ATOM 500 N ASN A 56 1.696 -6.410 6.229 1.00 0.00 N ATOM 501 CA ASN A 56 0.607 -7.368 6.089 1.00 0.00 C ATOM 502 C ASN A 56 1.144 -8.742 5.706 1.00 0.00 C ATOM 503 O ASN A 56 0.795 -9.750 6.321 1.00 0.00 O ATOM 504 CB ASN A 56 -0.394 -6.887 5.037 1.00 0.00 C ATOM 505 CG ASN A 56 -0.982 -5.531 5.378 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.213 -5.218 6.546 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.225 -4.718 4.358 1.00 0.00 N ATOM 0 H ASN A 56 1.729 -5.700 5.498 1.00 0.00 H new ATOM 0 HA ASN A 56 0.099 -7.448 7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.100 -6.833 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.199 -7.616 4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.619 -3.792 4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.018 -5.019 3.406 1.00 0.00 H new ATOM 514 N LEU A 57 2.003 -8.775 4.689 1.00 0.00 N ATOM 515 CA LEU A 57 2.596 -10.027 4.226 1.00 0.00 C ATOM 516 C LEU A 57 3.176 -10.818 5.395 1.00 0.00 C ATOM 517 O LEU A 57 2.778 -11.958 5.653 1.00 0.00 O ATOM 518 CB LEU A 57 3.694 -9.747 3.199 1.00 0.00 C ATOM 519 CG LEU A 57 3.197 -9.460 1.781 1.00 0.00 C ATOM 520 CD1 LEU A 57 4.068 -8.407 1.111 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.175 -10.738 0.956 1.00 0.00 C ATOM 0 H LEU A 57 2.303 -7.950 4.171 1.00 0.00 H new ATOM 0 HA LEU A 57 1.810 -10.620 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.281 -8.895 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.366 -10.605 3.165 1.00 0.00 H new ATOM 0 HG LEU A 57 2.180 -9.073 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.699 -8.217 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.034 -7.484 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.096 -8.765 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.819 -10.516 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.181 -11.153 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.509 -11.462 1.425 1.00 0.00 H new ATOM 533 N GLU A 58 4.116 -10.202 6.102 1.00 0.00 N ATOM 534 CA GLU A 58 4.751 -10.841 7.247 1.00 0.00 C ATOM 535 C GLU A 58 3.718 -11.194 8.311 1.00 0.00 C ATOM 536 O GLU A 58 3.878 -12.169 9.044 1.00 0.00 O ATOM 537 CB GLU A 58 5.822 -9.922 7.840 1.00 0.00 C ATOM 538 CG GLU A 58 5.267 -8.619 8.391 1.00 0.00 C ATOM 539 CD GLU A 58 6.294 -7.840 9.190 1.00 0.00 C ATOM 540 OE1 GLU A 58 6.566 -8.229 10.346 1.00 0.00 O ATOM 541 OE2 GLU A 58 6.820 -6.845 8.659 1.00 0.00 O ATOM 0 H GLU A 58 4.455 -9.261 5.902 1.00 0.00 H new ATOM 0 HA GLU A 58 5.223 -11.762 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.343 -10.452 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.562 -9.696 7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.910 -8.003 7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.406 -8.834 9.024 1.00 0.00 H new ATOM 548 N LYS A 59 2.656 -10.398 8.387 1.00 0.00 N ATOM 549 CA LYS A 59 1.594 -10.631 9.360 1.00 0.00 C ATOM 550 C LYS A 59 1.021 -12.036 9.208 1.00 0.00 C ATOM 551 O LYS A 59 0.670 -12.685 10.193 1.00 0.00 O ATOM 552 CB LYS A 59 0.480 -9.594 9.194 1.00 0.00 C ATOM 553 CG LYS A 59 -0.096 -9.105 10.513 1.00 0.00 C ATOM 554 CD LYS A 59 -1.615 -9.062 10.477 1.00 0.00 C ATOM 555 CE LYS A 59 -2.194 -8.682 11.831 1.00 0.00 C ATOM 556 NZ LYS A 59 -2.699 -9.870 12.573 1.00 0.00 N ATOM 0 H LYS A 59 2.508 -9.587 7.787 1.00 0.00 H new ATOM 0 HA LYS A 59 2.022 -10.535 10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.869 -8.741 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.321 -10.026 8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.231 -9.761 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.292 -8.111 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.942 -8.343 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.001 -10.036 10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.429 -8.181 12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.007 -7.969 11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.085 -9.568 13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.447 -10.334 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.918 -10.539 12.730 1.00 0.00 H new ATOM 570 N TYR A 60 0.934 -12.500 7.965 1.00 0.00 N ATOM 571 CA TYR A 60 0.408 -13.830 7.682 1.00 0.00 C ATOM 572 C TYR A 60 1.469 -14.893 7.939 1.00 0.00 C ATOM 573 O TYR A 60 1.160 -16.000 8.379 1.00 0.00 O ATOM 574 CB TYR A 60 -0.071 -13.923 6.232 1.00 0.00 C ATOM 575 CG TYR A 60 -0.754 -12.669 5.731 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.999 -12.290 6.217 1.00 0.00 C ATOM 577 CD2 TYR A 60 -0.152 -11.868 4.769 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.625 -11.146 5.758 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.771 -10.723 4.305 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.007 -10.366 4.803 1.00 0.00 C ATOM 581 OH TYR A 60 -2.627 -9.227 4.344 1.00 0.00 O ATOM 0 H TYR A 60 1.221 -11.975 7.139 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.438 -14.005 8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.783 -14.141 5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.761 -14.762 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.485 -12.898 6.965 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.816 -12.145 4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.593 -10.864 6.145 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.290 -10.111 3.557 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.190 -8.853 5.053 1.00 0.00 H new ATOM 591 N PHE A 61 2.723 -14.549 7.659 1.00 0.00 N ATOM 592 CA PHE A 61 3.832 -15.478 7.857 1.00 0.00 C ATOM 593 C PHE A 61 4.216 -15.578 9.332 1.00 0.00 C ATOM 594 O PHE A 61 4.775 -16.583 9.770 1.00 0.00 O ATOM 595 CB PHE A 61 5.044 -15.039 7.033 1.00 0.00 C ATOM 596 CG PHE A 61 5.900 -16.183 6.571 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.659 -16.908 7.476 1.00 0.00 C ATOM 598 CD2 PHE A 61 5.946 -16.534 5.231 1.00 0.00 C ATOM 599 CE1 PHE A 61 7.447 -17.962 7.053 1.00 0.00 C ATOM 600 CE2 PHE A 61 6.732 -17.587 4.802 1.00 0.00 C ATOM 601 CZ PHE A 61 7.484 -18.301 5.715 1.00 0.00 C ATOM 0 H PHE A 61 2.996 -13.636 7.295 1.00 0.00 H new ATOM 0 HA PHE A 61 3.506 -16.463 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.699 -14.479 6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.652 -14.358 7.629 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.635 -16.647 8.524 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.361 -15.978 4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.033 -18.520 7.768 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.758 -17.851 3.755 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.100 -19.123 5.383 1.00 0.00 H new ATOM 611 N LYS A 62 3.921 -14.532 10.094 1.00 0.00 N ATOM 612 CA LYS A 62 4.244 -14.514 11.517 1.00 0.00 C ATOM 613 C LYS A 62 3.122 -15.131 12.346 1.00 0.00 C ATOM 614 O LYS A 62 3.371 -15.738 13.388 1.00 0.00 O ATOM 615 CB LYS A 62 4.510 -13.080 11.983 1.00 0.00 C ATOM 616 CG LYS A 62 5.984 -12.778 12.211 1.00 0.00 C ATOM 617 CD LYS A 62 6.222 -12.126 13.565 1.00 0.00 C ATOM 618 CE LYS A 62 6.981 -10.816 13.430 1.00 0.00 C ATOM 619 NZ LYS A 62 6.300 -9.873 12.500 1.00 0.00 N ATOM 0 H LYS A 62 3.461 -13.688 9.753 1.00 0.00 H new ATOM 0 HA LYS A 62 5.144 -15.111 11.663 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.116 -12.386 11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.963 -12.900 12.909 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.559 -13.702 12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.347 -12.120 11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.265 -11.944 14.055 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.783 -12.808 14.204 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.080 -10.351 14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.990 -11.016 13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.902 -9.711 11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.392 -10.279 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.130 -8.969 12.985 1.00 0.00 H new ATOM 633 N GLU A 63 1.886 -14.959 11.889 1.00 0.00 N ATOM 634 CA GLU A 63 0.729 -15.486 12.603 1.00 0.00 C ATOM 635 C GLU A 63 0.257 -16.820 12.028 1.00 0.00 C ATOM 636 O GLU A 63 0.056 -17.784 12.767 1.00 0.00 O ATOM 637 CB GLU A 63 -0.416 -14.470 12.569 1.00 0.00 C ATOM 638 CG GLU A 63 -0.998 -14.166 13.940 1.00 0.00 C ATOM 639 CD GLU A 63 -0.746 -12.736 14.377 1.00 0.00 C ATOM 640 OE1 GLU A 63 0.297 -12.170 13.985 1.00 0.00 O ATOM 641 OE2 GLU A 63 -1.590 -12.182 15.112 1.00 0.00 O ATOM 0 H GLU A 63 1.660 -14.460 11.029 1.00 0.00 H new ATOM 0 HA GLU A 63 1.035 -15.662 13.634 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.056 -13.543 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.208 -14.848 11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.072 -14.353 13.924 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.566 -14.847 14.673 1.00 0.00 H new ATOM 648 N HIS A 64 0.057 -16.868 10.714 1.00 0.00 N ATOM 649 CA HIS A 64 -0.419 -18.089 10.064 1.00 0.00 C ATOM 650 C HIS A 64 0.661 -18.751 9.214 1.00 0.00 C ATOM 651 O HIS A 64 0.381 -19.685 8.462 1.00 0.00 O ATOM 652 CB HIS A 64 -1.647 -17.787 9.202 1.00 0.00 C ATOM 653 CG HIS A 64 -2.637 -16.879 9.867 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.771 -15.545 9.543 1.00 0.00 N ATOM 655 CD2 HIS A 64 -3.543 -17.119 10.845 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.715 -15.005 10.292 1.00 0.00 C ATOM 657 NE2 HIS A 64 -4.200 -15.938 11.090 1.00 0.00 N ATOM 0 H HIS A 64 0.215 -16.084 10.081 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.689 -18.789 10.855 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.321 -17.333 8.266 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.141 -18.724 8.946 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.716 -18.063 11.340 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.036 -13.974 10.258 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.942 -15.804 11.777 1.00 0.00 H new ATOM 666 N PHE A 65 1.890 -18.271 9.337 1.00 0.00 N ATOM 667 CA PHE A 65 3.009 -18.827 8.578 1.00 0.00 C ATOM 668 C PHE A 65 2.651 -18.995 7.103 1.00 0.00 C ATOM 669 O PHE A 65 3.173 -19.880 6.426 1.00 0.00 O ATOM 670 CB PHE A 65 3.428 -20.175 9.169 1.00 0.00 C ATOM 671 CG PHE A 65 4.914 -20.389 9.186 1.00 0.00 C ATOM 672 CD1 PHE A 65 5.697 -19.822 10.179 1.00 0.00 C ATOM 673 CD2 PHE A 65 5.528 -21.157 8.210 1.00 0.00 C ATOM 674 CE1 PHE A 65 7.065 -20.017 10.198 1.00 0.00 C ATOM 675 CE2 PHE A 65 6.895 -21.356 8.222 1.00 0.00 C ATOM 676 CZ PHE A 65 7.665 -20.785 9.218 1.00 0.00 C ATOM 0 H PHE A 65 2.141 -17.498 9.954 1.00 0.00 H new ATOM 0 HA PHE A 65 3.842 -18.127 8.647 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.047 -20.250 10.188 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.961 -20.975 8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.233 -19.221 10.947 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.931 -21.606 7.430 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.664 -19.570 10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.361 -21.956 7.455 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.734 -20.939 9.230 1.00 0.00 H new ATOM 686 N LYS A 66 1.757 -18.143 6.612 1.00 0.00 N ATOM 687 CA LYS A 66 1.331 -18.202 5.218 1.00 0.00 C ATOM 688 C LYS A 66 2.025 -17.125 4.389 1.00 0.00 C ATOM 689 O LYS A 66 2.144 -15.978 4.816 1.00 0.00 O ATOM 690 CB LYS A 66 -0.188 -18.042 5.120 1.00 0.00 C ATOM 691 CG LYS A 66 -0.919 -19.346 4.846 1.00 0.00 C ATOM 692 CD LYS A 66 -1.060 -19.603 3.355 1.00 0.00 C ATOM 693 CE LYS A 66 -0.002 -20.573 2.853 1.00 0.00 C ATOM 694 NZ LYS A 66 -0.438 -21.990 2.985 1.00 0.00 N ATOM 0 H LYS A 66 1.314 -17.404 7.158 1.00 0.00 H new ATOM 0 HA LYS A 66 1.612 -19.177 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.561 -17.614 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.420 -17.331 4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.378 -20.172 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.907 -19.314 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.052 -20.005 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.977 -18.661 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.221 -20.358 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.921 -20.424 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.312 -22.618 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.626 -22.204 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.305 -22.140 2.430 1.00 0.00 H new ATOM 708 N GLU A 67 2.482 -17.507 3.200 1.00 0.00 N ATOM 709 CA GLU A 67 3.164 -16.577 2.307 1.00 0.00 C ATOM 710 C GLU A 67 2.309 -16.265 1.082 1.00 0.00 C ATOM 711 O GLU A 67 2.476 -15.222 0.448 1.00 0.00 O ATOM 712 CB GLU A 67 4.511 -17.156 1.870 1.00 0.00 C ATOM 713 CG GLU A 67 4.394 -18.470 1.116 1.00 0.00 C ATOM 714 CD GLU A 67 5.412 -19.497 1.574 1.00 0.00 C ATOM 715 OE1 GLU A 67 6.624 -19.219 1.470 1.00 0.00 O ATOM 716 OE2 GLU A 67 4.995 -20.580 2.036 1.00 0.00 O ATOM 0 H GLU A 67 2.392 -18.454 2.833 1.00 0.00 H new ATOM 0 HA GLU A 67 3.333 -15.648 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.022 -16.429 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.135 -17.307 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.390 -18.874 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.524 -18.286 0.050 1.00 0.00 H new ATOM 723 N PHE A 68 1.393 -17.172 0.751 1.00 0.00 N ATOM 724 CA PHE A 68 0.514 -16.991 -0.399 1.00 0.00 C ATOM 725 C PHE A 68 -0.267 -15.684 -0.291 1.00 0.00 C ATOM 726 O PHE A 68 -1.366 -15.650 0.262 1.00 0.00 O ATOM 727 CB PHE A 68 -0.455 -18.171 -0.516 1.00 0.00 C ATOM 728 CG PHE A 68 -0.180 -19.058 -1.697 1.00 0.00 C ATOM 729 CD1 PHE A 68 -0.373 -18.596 -2.988 1.00 0.00 C ATOM 730 CD2 PHE A 68 0.271 -20.355 -1.513 1.00 0.00 C ATOM 731 CE1 PHE A 68 -0.122 -19.411 -4.075 1.00 0.00 C ATOM 732 CE2 PHE A 68 0.524 -21.175 -2.597 1.00 0.00 C ATOM 733 CZ PHE A 68 0.328 -20.702 -3.880 1.00 0.00 C ATOM 0 H PHE A 68 1.241 -18.040 1.264 1.00 0.00 H new ATOM 0 HA PHE A 68 1.134 -16.947 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.402 -18.766 0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.473 -17.789 -0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.724 -17.587 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.427 -20.730 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.278 -19.039 -5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.875 -22.185 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.526 -21.340 -4.728 1.00 0.00 H new ATOM 743 N ASP A 69 0.308 -14.611 -0.826 1.00 0.00 N ATOM 744 CA ASP A 69 -0.334 -13.302 -0.793 1.00 0.00 C ATOM 745 C ASP A 69 0.533 -12.256 -1.489 1.00 0.00 C ATOM 746 O ASP A 69 1.555 -11.830 -0.955 1.00 0.00 O ATOM 747 CB ASP A 69 -0.604 -12.877 0.653 1.00 0.00 C ATOM 748 CG ASP A 69 -2.043 -13.117 1.066 1.00 0.00 C ATOM 749 OD1 ASP A 69 -2.935 -12.407 0.554 1.00 0.00 O ATOM 750 OD2 ASP A 69 -2.279 -14.015 1.902 1.00 0.00 O ATOM 0 H ASP A 69 1.218 -14.623 -1.288 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.283 -13.376 -1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.059 -13.427 1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.367 -11.819 0.768 1.00 0.00 H new ATOM 755 N LYS A 70 0.115 -11.847 -2.682 1.00 0.00 N ATOM 756 CA LYS A 70 0.854 -10.850 -3.449 1.00 0.00 C ATOM 757 C LYS A 70 0.148 -9.499 -3.403 1.00 0.00 C ATOM 758 O LYS A 70 -1.068 -9.428 -3.218 1.00 0.00 O ATOM 759 CB LYS A 70 1.013 -11.309 -4.900 1.00 0.00 C ATOM 760 CG LYS A 70 1.709 -12.655 -5.039 1.00 0.00 C ATOM 761 CD LYS A 70 2.978 -12.545 -5.870 1.00 0.00 C ATOM 762 CE LYS A 70 2.665 -12.441 -7.354 1.00 0.00 C ATOM 763 NZ LYS A 70 3.659 -13.178 -8.184 1.00 0.00 N ATOM 0 H LYS A 70 -0.730 -12.190 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 70 1.842 -10.739 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.028 -11.369 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.579 -10.558 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.953 -13.043 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.030 -13.370 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.546 -11.670 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.609 -13.416 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.668 -12.838 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.652 -11.392 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.411 -13.083 -9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.607 -12.783 -8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.654 -14.184 -7.920 1.00 0.00 H new ATOM 777 N ILE A 71 0.913 -8.428 -3.573 1.00 0.00 N ATOM 778 CA ILE A 71 0.348 -7.084 -3.547 1.00 0.00 C ATOM 779 C ILE A 71 0.945 -6.205 -4.638 1.00 0.00 C ATOM 780 O ILE A 71 2.136 -6.286 -4.939 1.00 0.00 O ATOM 781 CB ILE A 71 0.565 -6.409 -2.182 1.00 0.00 C ATOM 782 CG1 ILE A 71 0.074 -7.325 -1.066 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.157 -5.070 -2.129 1.00 0.00 C ATOM 784 CD1 ILE A 71 0.517 -6.892 0.315 1.00 0.00 C ATOM 0 H ILE A 71 1.920 -8.462 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.722 -7.194 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 71 1.631 -6.227 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.015 -7.364 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.434 -8.337 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.007 -4.606 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.229 -4.417 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.225 -5.226 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.130 -7.591 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.606 -6.880 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.134 -5.893 0.523 1.00 0.00 H new ATOM 796 N SER A 72 0.101 -5.365 -5.223 1.00 0.00 N ATOM 797 CA SER A 72 0.524 -4.460 -6.280 1.00 0.00 C ATOM 798 C SER A 72 -0.099 -3.083 -6.082 1.00 0.00 C ATOM 799 O SER A 72 -1.322 -2.948 -6.035 1.00 0.00 O ATOM 800 CB SER A 72 0.128 -5.028 -7.641 1.00 0.00 C ATOM 801 OG SER A 72 1.126 -4.768 -8.614 1.00 0.00 O ATOM 0 H SER A 72 -0.887 -5.293 -4.980 1.00 0.00 H new ATOM 0 HA SER A 72 1.608 -4.357 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.031 -6.103 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.818 -4.590 -7.960 1.00 0.00 H new ATOM 0 HG SER A 72 0.849 -5.144 -9.476 1.00 0.00 H new ATOM 807 N TYR A 73 0.746 -2.064 -5.959 1.00 0.00 N ATOM 808 CA TYR A 73 0.266 -0.703 -5.759 1.00 0.00 C ATOM 809 C TYR A 73 0.869 0.250 -6.789 1.00 0.00 C ATOM 810 O TYR A 73 1.960 0.010 -7.306 1.00 0.00 O ATOM 811 CB TYR A 73 0.582 -0.233 -4.332 1.00 0.00 C ATOM 812 CG TYR A 73 1.989 0.287 -4.136 1.00 0.00 C ATOM 813 CD1 TYR A 73 3.074 -0.577 -4.071 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.224 1.649 -4.013 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.358 -0.096 -3.890 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.504 2.139 -3.833 1.00 0.00 C ATOM 817 CZ TYR A 73 4.568 1.263 -3.772 1.00 0.00 C ATOM 818 OH TYR A 73 5.843 1.745 -3.593 1.00 0.00 O ATOM 0 H TYR A 73 1.761 -2.155 -5.994 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.815 -0.698 -5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.123 0.552 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.417 -1.063 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.913 -1.641 -4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.393 2.338 -4.059 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.192 -0.780 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.670 3.202 -3.741 1.00 0.00 H new ATOM 0 HH TYR A 73 5.817 2.723 -3.530 1.00 0.00 H new ATOM 828 N ASP A 74 0.148 1.326 -7.082 1.00 0.00 N ATOM 829 CA ASP A 74 0.610 2.313 -8.055 1.00 0.00 C ATOM 830 C ASP A 74 -0.160 3.621 -7.916 1.00 0.00 C ATOM 831 O ASP A 74 -1.172 3.694 -7.222 1.00 0.00 O ATOM 832 CB ASP A 74 0.458 1.766 -9.476 1.00 0.00 C ATOM 833 CG ASP A 74 1.392 2.442 -10.456 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.622 2.309 -10.295 1.00 0.00 O ATOM 835 OD2 ASP A 74 0.891 3.110 -11.388 1.00 0.00 O ATOM 0 H ASP A 74 -0.757 1.538 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 74 1.663 2.513 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.653 0.694 -9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.572 1.902 -9.807 1.00 0.00 H new ATOM 840 N ILE A 75 0.330 4.662 -8.591 1.00 0.00 N ATOM 841 CA ILE A 75 -0.308 5.974 -8.552 1.00 0.00 C ATOM 842 C ILE A 75 -0.684 6.451 -9.948 1.00 0.00 C ATOM 843 O ILE A 75 0.035 6.201 -10.916 1.00 0.00 O ATOM 844 CB ILE A 75 0.608 7.024 -7.893 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.194 6.481 -6.589 1.00 0.00 C ATOM 846 CG2 ILE A 75 -0.160 8.314 -7.642 1.00 0.00 C ATOM 847 CD1 ILE A 75 2.336 7.311 -6.047 1.00 0.00 C ATOM 0 H ILE A 75 1.168 4.619 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.214 5.864 -7.956 1.00 0.00 H new ATOM 0 HB ILE A 75 1.432 7.241 -8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.405 6.430 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.543 5.462 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.500 9.046 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.528 8.708 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.003 8.113 -6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.702 6.866 -5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.143 7.341 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.987 8.325 -5.850 1.00 0.00 H new ATOM 859 N SER A 76 -1.817 7.141 -10.044 1.00 0.00 N ATOM 860 CA SER A 76 -2.285 7.657 -11.332 1.00 0.00 C ATOM 861 C SER A 76 -3.385 8.697 -11.138 1.00 0.00 C ATOM 862 O SER A 76 -3.667 9.121 -10.019 1.00 0.00 O ATOM 863 CB SER A 76 -2.803 6.513 -12.207 1.00 0.00 C ATOM 864 OG SER A 76 -1.962 5.376 -12.116 1.00 0.00 O ATOM 0 H SER A 76 -2.425 7.356 -9.254 1.00 0.00 H new ATOM 0 HA SER A 76 -1.441 8.135 -11.829 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.814 6.246 -11.900 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.862 6.843 -13.244 1.00 0.00 H new ATOM 0 HG SER A 76 -1.026 5.655 -12.192 1.00 0.00 H new ATOM 870 N THR A 77 -4.005 9.104 -12.245 1.00 0.00 N ATOM 871 CA THR A 77 -5.079 10.090 -12.203 1.00 0.00 C ATOM 872 C THR A 77 -4.550 11.467 -11.795 1.00 0.00 C ATOM 873 O THR A 77 -4.011 11.627 -10.699 1.00 0.00 O ATOM 874 CB THR A 77 -6.176 9.650 -11.238 1.00 0.00 C ATOM 875 OG1 THR A 77 -6.380 8.249 -11.311 1.00 0.00 O ATOM 876 CG2 THR A 77 -7.508 10.323 -11.496 1.00 0.00 C ATOM 0 H THR A 77 -3.781 8.765 -13.181 1.00 0.00 H new ATOM 0 HA THR A 77 -5.498 10.165 -13.207 1.00 0.00 H new ATOM 0 HB THR A 77 -5.824 9.946 -10.250 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.311 8.042 -11.084 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.242 9.965 -10.775 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.396 11.402 -11.394 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.846 10.087 -12.505 1.00 0.00 H new ATOM 884 N PRO A 78 -4.700 12.485 -12.666 1.00 0.00 N ATOM 885 CA PRO A 78 -4.236 13.847 -12.374 1.00 0.00 C ATOM 886 C PRO A 78 -4.913 14.444 -11.141 1.00 0.00 C ATOM 887 O PRO A 78 -4.452 15.450 -10.599 1.00 0.00 O ATOM 888 CB PRO A 78 -4.621 14.643 -13.628 1.00 0.00 C ATOM 889 CG PRO A 78 -4.824 13.621 -14.691 1.00 0.00 C ATOM 890 CD PRO A 78 -5.331 12.392 -13.991 1.00 0.00 C ATOM 0 HA PRO A 78 -3.169 13.866 -12.153 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.528 15.225 -13.462 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.836 15.348 -13.904 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.540 13.969 -15.436 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.892 13.414 -15.217 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.419 12.387 -13.921 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.041 11.481 -14.514 1.00 0.00 H new ATOM 898 N ILE A 79 -6.011 13.831 -10.709 1.00 0.00 N ATOM 899 CA ILE A 79 -6.748 14.312 -9.548 1.00 0.00 C ATOM 900 C ILE A 79 -6.299 13.602 -8.264 1.00 0.00 C ATOM 901 O ILE A 79 -7.091 13.410 -7.348 1.00 0.00 O ATOM 902 CB ILE A 79 -8.267 14.114 -9.724 1.00 0.00 C ATOM 903 CG1 ILE A 79 -8.712 14.587 -11.110 1.00 0.00 C ATOM 904 CG2 ILE A 79 -9.028 14.844 -8.632 1.00 0.00 C ATOM 905 CD1 ILE A 79 -10.071 14.064 -11.515 1.00 0.00 C ATOM 0 H ILE A 79 -6.409 13.000 -11.146 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.532 15.377 -9.462 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.491 13.050 -9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.731 15.677 -11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.975 14.271 -11.848 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.098 14.694 -8.772 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.731 14.454 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.802 15.909 -8.681 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -10.324 14.438 -12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.051 12.974 -11.532 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -10.819 14.402 -10.798 1.00 0.00 H new ATOM 917 N ASN A 80 -5.025 13.228 -8.219 1.00 0.00 N ATOM 918 CA ASN A 80 -4.470 12.547 -7.048 1.00 0.00 C ATOM 919 C ASN A 80 -5.311 11.333 -6.665 1.00 0.00 C ATOM 920 O ASN A 80 -5.970 11.326 -5.623 1.00 0.00 O ATOM 921 CB ASN A 80 -4.378 13.522 -5.872 1.00 0.00 C ATOM 922 CG ASN A 80 -2.963 14.021 -5.647 1.00 0.00 C ATOM 923 OD1 ASN A 80 -2.085 13.842 -6.490 1.00 0.00 O ATOM 924 ND2 ASN A 80 -2.736 14.643 -4.493 1.00 0.00 N ATOM 0 H ASN A 80 -4.357 13.383 -8.974 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.470 12.195 -7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.036 14.372 -6.055 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.736 13.031 -4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.803 14.994 -4.278 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.495 14.769 -3.824 1.00 0.00 H new ATOM 931 N PHE A 81 -5.278 10.302 -7.501 1.00 0.00 N ATOM 932 CA PHE A 81 -6.031 9.080 -7.242 1.00 0.00 C ATOM 933 C PHE A 81 -5.091 7.883 -7.131 1.00 0.00 C ATOM 934 O PHE A 81 -4.314 7.611 -8.054 1.00 0.00 O ATOM 935 CB PHE A 81 -7.061 8.841 -8.347 1.00 0.00 C ATOM 936 CG PHE A 81 -8.360 8.276 -7.847 1.00 0.00 C ATOM 937 CD1 PHE A 81 -9.376 9.112 -7.416 1.00 0.00 C ATOM 938 CD2 PHE A 81 -8.563 6.907 -7.805 1.00 0.00 C ATOM 939 CE1 PHE A 81 -10.572 8.597 -6.957 1.00 0.00 C ATOM 940 CE2 PHE A 81 -9.756 6.383 -7.340 1.00 0.00 C ATOM 941 CZ PHE A 81 -10.762 7.228 -6.915 1.00 0.00 C ATOM 0 H PHE A 81 -4.737 10.288 -8.366 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.556 9.198 -6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.257 9.783 -8.859 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.638 8.159 -9.085 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -9.231 10.182 -7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.781 6.241 -8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -11.358 9.262 -6.631 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.900 5.313 -7.309 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.694 6.821 -6.551 1.00 0.00 H new ATOM 951 N LEU A 82 -5.163 7.182 -6.011 1.00 0.00 N ATOM 952 CA LEU A 82 -4.313 6.022 -5.788 1.00 0.00 C ATOM 953 C LEU A 82 -5.005 4.739 -6.234 1.00 0.00 C ATOM 954 O LEU A 82 -6.093 4.409 -5.762 1.00 0.00 O ATOM 955 CB LEU A 82 -3.926 5.923 -4.311 1.00 0.00 C ATOM 956 CG LEU A 82 -2.436 5.700 -4.047 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.630 6.913 -4.484 1.00 0.00 C ATOM 958 CD2 LEU A 82 -2.196 5.399 -2.576 1.00 0.00 C ATOM 0 H LEU A 82 -5.800 7.395 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.410 6.148 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.236 6.839 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.486 5.105 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.106 4.841 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.572 6.737 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.779 7.084 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.961 7.790 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.131 5.243 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.541 6.238 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.744 4.500 -2.294 1.00 0.00 H new ATOM 970 N CYS A 83 -4.360 4.017 -7.144 1.00 0.00 N ATOM 971 CA CYS A 83 -4.905 2.765 -7.655 1.00 0.00 C ATOM 972 C CYS A 83 -4.112 1.578 -7.119 1.00 0.00 C ATOM 973 O CYS A 83 -3.022 1.276 -7.607 1.00 0.00 O ATOM 974 CB CYS A 83 -4.883 2.756 -9.178 1.00 0.00 C ATOM 975 SG CYS A 83 -3.264 3.129 -9.897 1.00 0.00 S ATOM 0 H CYS A 83 -3.458 4.278 -7.543 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.938 2.680 -7.316 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.208 1.777 -9.529 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.608 3.483 -9.545 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.328 2.689 -9.110 1.00 0.00 H new ATOM 981 N ILE A 84 -4.663 0.909 -6.111 1.00 0.00 N ATOM 982 CA ILE A 84 -3.999 -0.241 -5.512 1.00 0.00 C ATOM 983 C ILE A 84 -4.635 -1.544 -5.968 1.00 0.00 C ATOM 984 O ILE A 84 -5.835 -1.757 -5.801 1.00 0.00 O ATOM 985 CB ILE A 84 -4.017 -0.168 -3.964 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.326 1.109 -3.478 1.00 0.00 C ATOM 987 CG2 ILE A 84 -3.353 -1.398 -3.357 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.178 1.531 -4.354 1.00 0.00 C ATOM 0 H ILE A 84 -5.564 1.143 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.963 -0.217 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.056 -0.145 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.057 1.916 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.962 0.954 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.377 -1.325 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.888 -2.294 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.318 -1.456 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.732 2.442 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.429 0.740 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.541 1.717 -5.365 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.815 -2.411 -6.551 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.285 -3.698 -7.036 1.00 0.00 C ATOM 1002 C PHE A 85 -3.559 -4.840 -6.334 1.00 0.00 C ATOM 1003 O PHE A 85 -2.555 -5.351 -6.829 1.00 0.00 O ATOM 1004 CB PHE A 85 -4.086 -3.799 -8.551 1.00 0.00 C ATOM 1005 CG PHE A 85 -5.371 -3.940 -9.316 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -6.122 -2.822 -9.645 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -5.828 -5.188 -9.706 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -7.304 -2.948 -10.349 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -7.010 -5.320 -10.410 1.00 0.00 C ATOM 1010 CZ PHE A 85 -7.749 -4.198 -10.731 1.00 0.00 C ATOM 0 H PHE A 85 -2.820 -2.243 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.349 -3.779 -6.813 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.560 -2.911 -8.900 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.447 -4.654 -8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.779 -1.842 -9.348 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.254 -6.068 -9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.880 -2.069 -10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.355 -6.299 -10.709 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.674 -4.298 -11.280 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.075 -5.228 -5.176 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.485 -6.312 -4.392 1.00 0.00 C ATOM 1022 C ILE A 86 -3.964 -7.683 -4.890 1.00 0.00 C ATOM 1023 O ILE A 86 -5.110 -8.070 -4.655 1.00 0.00 O ATOM 1024 CB ILE A 86 -3.825 -6.161 -2.889 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.397 -7.406 -2.105 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.312 -5.898 -2.697 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -3.420 -7.211 -0.605 1.00 0.00 C ATOM 0 H ILE A 86 -4.904 -4.809 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.404 -6.249 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.271 -5.306 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.056 -8.234 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.390 -7.690 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.529 -5.795 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.589 -4.979 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.884 -6.731 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.106 -8.132 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.740 -6.404 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.431 -6.956 -0.287 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.093 -8.438 -5.595 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.429 -9.759 -6.128 1.00 0.00 C ATOM 1041 C PRO A 87 -3.258 -10.861 -5.087 1.00 0.00 C ATOM 1042 O PRO A 87 -2.156 -11.090 -4.593 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.424 -9.953 -7.279 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.542 -8.739 -7.279 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.718 -8.076 -5.942 1.00 0.00 C ATOM 0 HA PRO A 87 -4.471 -9.816 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.837 -10.860 -7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.941 -10.058 -8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.500 -9.018 -7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.818 -8.061 -8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.002 -8.445 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.584 -6.996 -6.003 1.00 0.00 H new ATOM 1053 N THR A 88 -4.351 -11.543 -4.752 1.00 0.00 N ATOM 1054 CA THR A 88 -4.296 -12.613 -3.761 1.00 0.00 C ATOM 1055 C THR A 88 -5.341 -13.692 -4.034 1.00 0.00 C ATOM 1056 O THR A 88 -6.203 -13.538 -4.900 1.00 0.00 O ATOM 1057 CB THR A 88 -4.498 -12.037 -2.357 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.382 -13.053 -1.374 1.00 0.00 O ATOM 1059 CG2 THR A 88 -5.844 -11.367 -2.175 1.00 0.00 C ATOM 0 H THR A 88 -5.276 -11.376 -5.148 1.00 0.00 H new ATOM 0 HA THR A 88 -3.312 -13.077 -3.829 1.00 0.00 H new ATOM 0 HB THR A 88 -3.718 -11.285 -2.237 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.166 -12.648 -0.508 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.924 -10.980 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.940 -10.545 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.638 -12.093 -2.350 1.00 0.00 H new ATOM 1067 N LEU A 89 -5.253 -14.785 -3.283 1.00 0.00 N ATOM 1068 CA LEU A 89 -6.184 -15.898 -3.431 1.00 0.00 C ATOM 1069 C LEU A 89 -6.969 -16.116 -2.140 1.00 0.00 C ATOM 1070 O LEU A 89 -6.668 -17.025 -1.367 1.00 0.00 O ATOM 1071 CB LEU A 89 -5.429 -17.177 -3.803 1.00 0.00 C ATOM 1072 CG LEU A 89 -4.689 -17.130 -5.141 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -3.539 -16.139 -5.084 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -4.183 -18.515 -5.518 1.00 0.00 C ATOM 0 H LEU A 89 -4.544 -14.924 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.884 -15.654 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.709 -17.397 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.138 -18.005 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.388 -16.797 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.026 -16.121 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.926 -15.145 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.838 -16.439 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.659 -18.464 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.500 -18.875 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.027 -19.200 -5.604 1.00 0.00 H new ATOM 1086 N PHE A 90 -7.973 -15.274 -1.910 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.793 -15.376 -0.708 1.00 0.00 C ATOM 1088 C PHE A 90 -9.504 -16.724 -0.646 1.00 0.00 C ATOM 1089 O PHE A 90 -10.646 -16.868 -1.082 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.804 -14.224 -0.640 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.928 -14.321 -1.635 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.710 -14.062 -2.979 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -12.204 -14.674 -1.223 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -11.743 -14.152 -3.892 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -13.240 -14.766 -2.132 1.00 0.00 C ATOM 1096 CZ PHE A 90 -13.009 -14.504 -3.468 1.00 0.00 C ATOM 0 H PHE A 90 -8.237 -14.516 -2.539 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.134 -15.302 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -10.227 -14.187 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.276 -13.284 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.722 -13.787 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.390 -14.879 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.560 -13.947 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -14.229 -15.042 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.818 -14.574 -4.180 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.813 -17.711 -0.098 1.00 0.00 N ATOM 1107 CA ASP A 91 -9.360 -19.058 0.033 1.00 0.00 C ATOM 1108 C ASP A 91 -8.363 -19.982 0.722 1.00 0.00 C ATOM 1109 O ASP A 91 -8.728 -20.756 1.607 1.00 0.00 O ATOM 1110 CB ASP A 91 -9.727 -19.621 -1.342 1.00 0.00 C ATOM 1111 CG ASP A 91 -10.381 -20.986 -1.252 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -11.347 -21.131 -0.473 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -9.928 -21.910 -1.959 1.00 0.00 O ATOM 0 H ASP A 91 -7.866 -17.606 0.266 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.260 -18.999 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.403 -18.930 -1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.828 -19.691 -1.954 1.00 0.00 H new ATOM 1118 N MET A 92 -7.102 -19.895 0.311 1.00 0.00 N ATOM 1119 CA MET A 92 -6.052 -20.723 0.888 1.00 0.00 C ATOM 1120 C MET A 92 -5.583 -20.154 2.223 1.00 0.00 C ATOM 1121 O MET A 92 -5.519 -20.867 3.225 1.00 0.00 O ATOM 1122 CB MET A 92 -4.871 -20.833 -0.078 1.00 0.00 C ATOM 1123 CG MET A 92 -4.223 -22.209 -0.089 1.00 0.00 C ATOM 1124 SD MET A 92 -3.987 -22.856 -1.756 1.00 0.00 S ATOM 1125 CE MET A 92 -5.674 -23.255 -2.207 1.00 0.00 C ATOM 0 H MET A 92 -6.784 -19.259 -0.420 1.00 0.00 H new ATOM 0 HA MET A 92 -6.462 -21.718 1.062 1.00 0.00 H new ATOM 0 HB2 MET A 92 -5.212 -20.592 -1.085 1.00 0.00 H new ATOM 0 HB3 MET A 92 -4.121 -20.089 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.258 -22.155 0.415 1.00 0.00 H new ATOM 0 HG3 MET A 92 -4.842 -22.902 0.481 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.689 -23.700 -3.202 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.086 -23.962 -1.487 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.275 -22.346 -2.207 1.00 0.00 H new ATOM 1135 N ASN A 93 -5.261 -18.865 2.232 1.00 0.00 N ATOM 1136 CA ASN A 93 -4.802 -18.202 3.448 1.00 0.00 C ATOM 1137 C ASN A 93 -5.839 -18.328 4.559 1.00 0.00 C ATOM 1138 O ASN A 93 -5.498 -18.332 5.742 1.00 0.00 O ATOM 1139 CB ASN A 93 -4.513 -16.725 3.169 1.00 0.00 C ATOM 1140 CG ASN A 93 -3.938 -16.012 4.378 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -3.108 -16.562 5.101 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -4.380 -14.779 4.603 1.00 0.00 N ATOM 0 H ASN A 93 -5.309 -18.259 1.413 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.884 -18.690 3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.814 -16.645 2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.433 -16.229 2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.030 -14.250 5.402 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.069 -14.362 3.977 1.00 0.00 H new ATOM 1149 N ASN A 94 -7.106 -18.435 4.170 1.00 0.00 N ATOM 1150 CA ASN A 94 -8.196 -18.565 5.132 1.00 0.00 C ATOM 1151 C ASN A 94 -8.201 -17.406 6.126 1.00 0.00 C ATOM 1152 O ASN A 94 -8.748 -17.524 7.223 1.00 0.00 O ATOM 1153 CB ASN A 94 -8.082 -19.892 5.882 1.00 0.00 C ATOM 1154 CG ASN A 94 -8.083 -21.087 4.949 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -9.003 -21.267 4.152 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -7.047 -21.914 5.045 1.00 0.00 N ATOM 0 H ASN A 94 -7.404 -18.434 3.194 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.135 -18.542 4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.165 -19.895 6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.911 -19.982 6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.993 -22.736 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -6.306 -21.727 5.720 1.00 0.00 H new ATOM 1163 N MET A 95 -7.592 -16.288 5.739 1.00 0.00 N ATOM 1164 CA MET A 95 -7.533 -15.115 6.604 1.00 0.00 C ATOM 1165 C MET A 95 -7.321 -13.842 5.789 1.00 0.00 C ATOM 1166 O MET A 95 -6.768 -12.862 6.288 1.00 0.00 O ATOM 1167 CB MET A 95 -6.410 -15.269 7.632 1.00 0.00 C ATOM 1168 CG MET A 95 -6.863 -15.896 8.942 1.00 0.00 C ATOM 1169 SD MET A 95 -8.137 -14.929 9.774 1.00 0.00 S ATOM 1170 CE MET A 95 -9.363 -16.193 10.100 1.00 0.00 C ATOM 0 H MET A 95 -7.134 -16.171 4.835 1.00 0.00 H new ATOM 0 HA MET A 95 -8.487 -15.034 7.126 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.617 -15.880 7.202 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.981 -14.288 7.838 1.00 0.00 H new ATOM 0 HG2 MET A 95 -7.243 -16.899 8.747 1.00 0.00 H new ATOM 0 HG3 MET A 95 -6.004 -16.004 9.604 1.00 0.00 H new ATOM 0 HE1 MET A 95 -10.028 -15.858 10.896 1.00 0.00 H new ATOM 0 HE2 MET A 95 -9.943 -16.379 9.196 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.865 -17.113 10.406 1.00 0.00 H new ATOM 1180 N ASP A 96 -7.763 -13.861 4.535 1.00 0.00 N ATOM 1181 CA ASP A 96 -7.620 -12.704 3.659 1.00 0.00 C ATOM 1182 C ASP A 96 -8.355 -11.497 4.236 1.00 0.00 C ATOM 1183 O ASP A 96 -9.562 -11.348 4.054 1.00 0.00 O ATOM 1184 CB ASP A 96 -8.154 -13.027 2.261 1.00 0.00 C ATOM 1185 CG ASP A 96 -7.091 -12.886 1.189 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -6.100 -13.646 1.232 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -7.248 -12.016 0.308 1.00 0.00 O ATOM 0 H ASP A 96 -8.222 -14.663 4.104 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.560 -12.460 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.544 -14.045 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.988 -12.364 2.031 1.00 0.00 H new ATOM 1192 N LEU A 97 -7.618 -10.641 4.936 1.00 0.00 N ATOM 1193 CA LEU A 97 -8.201 -9.451 5.545 1.00 0.00 C ATOM 1194 C LEU A 97 -7.873 -8.200 4.732 1.00 0.00 C ATOM 1195 O LEU A 97 -6.912 -7.492 5.026 1.00 0.00 O ATOM 1196 CB LEU A 97 -7.697 -9.289 6.981 1.00 0.00 C ATOM 1197 CG LEU A 97 -8.688 -9.710 8.067 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -9.910 -8.804 8.054 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -9.097 -11.163 7.879 1.00 0.00 C ATOM 0 H LEU A 97 -6.616 -10.749 5.096 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.284 -9.576 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.784 -9.873 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.429 -8.244 7.140 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.200 -9.613 9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.604 -9.118 8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.602 -7.775 8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.401 -8.869 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.802 -11.446 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.568 -11.285 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.215 -11.800 7.939 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.685 -7.933 3.714 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.488 -6.764 2.864 1.00 0.00 C ATOM 1213 C LEU A 98 -8.935 -5.489 3.577 1.00 0.00 C ATOM 1214 O LEU A 98 -8.565 -4.381 3.183 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.261 -6.924 1.554 1.00 0.00 C ATOM 1216 CG LEU A 98 -10.774 -7.087 1.710 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -11.435 -5.739 1.945 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -11.364 -7.767 0.483 1.00 0.00 C ATOM 0 H LEU A 98 -9.486 -8.510 3.458 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.424 -6.683 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.068 -6.053 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.870 -7.792 1.023 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.966 -7.717 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.511 -5.875 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.033 -5.290 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.236 -5.083 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.441 -7.876 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.162 -7.162 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.912 -8.751 0.360 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.735 -5.654 4.628 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.237 -4.522 5.398 1.00 0.00 C ATOM 1232 C LYS A 99 -9.094 -3.664 5.937 1.00 0.00 C ATOM 1233 O LYS A 99 -9.292 -2.495 6.266 1.00 0.00 O ATOM 1234 CB LYS A 99 -11.100 -5.020 6.555 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.216 -4.060 6.939 1.00 0.00 C ATOM 1236 CD LYS A 99 -13.447 -4.257 6.066 1.00 0.00 C ATOM 1237 CE LYS A 99 -14.670 -4.610 6.898 1.00 0.00 C ATOM 1238 NZ LYS A 99 -15.855 -4.904 6.044 1.00 0.00 N ATOM 0 H LYS A 99 -10.049 -6.564 4.965 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.840 -3.904 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.536 -5.982 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.465 -5.192 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.483 -4.211 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.862 -3.033 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.642 -3.347 5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.258 -5.049 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.448 -5.476 7.521 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.903 -3.784 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.668 -5.140 6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.083 -4.069 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.642 -5.708 5.420 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.901 -4.246 6.021 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.737 -3.521 6.516 1.00 0.00 C ATOM 1254 C GLN A 100 -6.302 -2.473 5.502 1.00 0.00 C ATOM 1255 O GLN A 100 -6.113 -1.304 5.839 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.586 -4.488 6.797 1.00 0.00 C ATOM 1257 CG GLN A 100 -6.008 -5.732 7.562 1.00 0.00 C ATOM 1258 CD GLN A 100 -5.439 -5.774 8.967 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -5.129 -4.738 9.555 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -5.300 -6.976 9.513 1.00 0.00 N ATOM 0 H GLN A 100 -7.716 -5.213 5.754 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.009 -3.022 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.136 -4.789 5.851 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.815 -3.967 7.365 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.096 -5.771 7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.683 -6.618 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.570 -7.808 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.923 -7.067 10.456 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.159 -2.904 4.256 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.762 -2.014 3.176 1.00 0.00 C ATOM 1271 C ALA A 101 -6.748 -0.858 3.043 1.00 0.00 C ATOM 1272 O ALA A 101 -6.353 0.302 2.918 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.676 -2.795 1.874 1.00 0.00 C ATOM 0 H ALA A 101 -6.313 -3.870 3.968 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.781 -1.596 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.378 -2.125 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.939 -3.591 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.649 -3.229 1.645 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.036 -1.188 3.076 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.086 -0.183 2.965 1.00 0.00 C ATOM 1281 C LEU A 102 -9.046 0.776 4.151 1.00 0.00 C ATOM 1282 O LEU A 102 -9.387 1.951 4.023 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.459 -0.854 2.881 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.513 -0.075 2.092 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.533 -1.025 1.484 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.198 0.947 2.986 1.00 0.00 C ATOM 0 H LEU A 102 -8.377 -2.144 3.179 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.914 0.388 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.339 -1.837 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.830 -1.015 3.893 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.015 0.457 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.275 -0.454 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.028 -1.719 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.027 -1.585 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.945 1.492 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.684 0.436 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.457 1.646 3.373 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.623 0.265 5.303 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.535 1.078 6.510 1.00 0.00 C ATOM 1300 C LEU A 103 -7.397 2.088 6.398 1.00 0.00 C ATOM 1301 O LEU A 103 -7.534 3.241 6.803 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.328 0.185 7.738 1.00 0.00 C ATOM 1303 CG LEU A 103 -9.388 0.331 8.831 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -9.615 -0.998 9.534 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -8.977 1.402 9.831 1.00 0.00 C ATOM 0 H LEU A 103 -8.336 -0.706 5.426 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.472 1.624 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.305 -0.855 7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.351 0.406 8.169 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.325 0.637 8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.372 -0.875 10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.953 -1.739 8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.683 -1.333 9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.742 1.493 10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.029 1.125 10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.865 2.356 9.317 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.275 1.643 5.845 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.112 2.503 5.677 1.00 0.00 C ATOM 1319 C ILE A 104 -5.438 3.703 4.792 1.00 0.00 C ATOM 1320 O ILE A 104 -5.141 4.844 5.146 1.00 0.00 O ATOM 1321 CB ILE A 104 -3.924 1.726 5.072 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.605 0.501 5.932 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -2.700 2.624 4.948 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.211 -0.718 5.126 1.00 0.00 C ATOM 0 H ILE A 104 -6.147 0.690 5.505 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.832 2.859 6.668 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.201 1.391 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.796 0.750 6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -4.476 0.258 6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -1.874 2.056 4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -2.933 3.470 4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -2.415 2.990 5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -2.999 -1.547 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.028 -0.993 4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.322 -0.493 4.537 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.050 3.440 3.641 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.413 4.507 2.713 1.00 0.00 C ATOM 1338 C LEU A 105 -7.568 5.339 3.266 1.00 0.00 C ATOM 1339 O LEU A 105 -7.515 6.570 3.271 1.00 0.00 O ATOM 1340 CB LEU A 105 -6.794 3.923 1.348 1.00 0.00 C ATOM 1341 CG LEU A 105 -7.931 2.899 1.377 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.274 3.586 1.187 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -7.718 1.839 0.309 1.00 0.00 C ATOM 0 H LEU A 105 -6.304 2.503 3.329 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.546 5.157 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.079 4.741 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.913 3.453 0.912 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.931 2.411 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.070 2.842 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.429 4.309 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.287 4.101 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.535 1.119 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.692 2.312 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.774 1.325 0.489 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.611 4.659 3.730 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.781 5.333 4.284 1.00 0.00 C ATOM 1357 C HIS A 106 -9.412 6.166 5.506 1.00 0.00 C ATOM 1358 O HIS A 106 -9.738 7.349 5.581 1.00 0.00 O ATOM 1359 CB HIS A 106 -10.854 4.308 4.657 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.213 4.906 4.844 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.543 5.707 5.917 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.333 4.814 4.088 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -13.804 6.074 5.809 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.307 5.553 4.712 1.00 0.00 N ATOM 0 H HIS A 106 -8.671 3.641 3.734 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.174 6.004 3.520 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.905 3.547 3.878 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.558 3.803 5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.440 4.262 3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.337 6.701 6.508 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.263 5.677 4.379 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.733 5.538 6.462 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.327 6.228 7.686 1.00 0.00 C ATOM 1375 C ASN A 107 -7.455 7.435 7.370 1.00 0.00 C ATOM 1376 O ASN A 107 -7.573 8.483 8.022 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.568 5.267 8.606 1.00 0.00 C ATOM 1378 CG ASN A 107 -7.375 5.842 10.000 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -6.125 6.130 10.345 1.00 0.00 O flip ATOM 1380 ND2 ASN A 107 -8.334 6.018 10.752 1.00 0.00 N flip ATOM 0 H ASN A 107 -8.453 4.558 6.415 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.228 6.577 8.191 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.113 4.326 8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.595 5.041 8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.276 5.781 10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.186 6.401 11.686 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.586 7.300 6.381 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.695 8.388 5.989 1.00 0.00 C ATOM 1389 C ASP A 108 -6.490 9.614 5.552 1.00 0.00 C ATOM 1390 O ASP A 108 -6.112 10.741 5.849 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.769 7.930 4.856 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.332 7.782 5.314 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -2.806 8.722 5.943 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.731 6.721 5.040 1.00 0.00 O ATOM 0 H ASP A 108 -6.476 6.447 5.832 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.092 8.663 6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.123 6.977 4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.815 8.649 4.038 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.586 9.382 4.837 1.00 0.00 N ATOM 1400 CA LEU A 109 -8.428 10.469 4.355 1.00 0.00 C ATOM 1401 C LEU A 109 -9.373 10.957 5.449 1.00 0.00 C ATOM 1402 O LEU A 109 -9.693 12.143 5.521 1.00 0.00 O ATOM 1403 CB LEU A 109 -9.235 10.018 3.138 1.00 0.00 C ATOM 1404 CG LEU A 109 -9.838 11.147 2.302 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -10.358 10.614 0.978 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -10.950 11.839 3.069 1.00 0.00 C ATOM 0 H LEU A 109 -7.911 8.450 4.579 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.777 11.294 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.590 9.417 2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.042 9.368 3.477 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.055 11.876 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.783 11.433 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.538 10.162 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.127 9.864 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.368 12.640 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.732 11.118 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.549 12.257 3.993 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.825 10.038 6.293 1.00 0.00 N ATOM 1419 CA HIS A 110 -10.739 10.371 7.374 1.00 0.00 C ATOM 1420 C HIS A 110 -9.996 10.937 8.586 1.00 0.00 C ATOM 1421 O HIS A 110 -10.605 11.553 9.465 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.547 9.140 7.787 1.00 0.00 C ATOM 1423 CG HIS A 110 -13.018 9.405 7.907 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -13.930 9.028 6.943 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -13.735 10.006 8.881 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -15.143 9.391 7.321 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -15.051 9.982 8.491 1.00 0.00 N ATOM 0 H HIS A 110 -9.571 9.051 6.247 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.417 11.140 7.005 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.387 8.348 7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.173 8.773 8.743 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -13.346 10.427 9.796 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.054 9.230 6.764 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.833 10.362 9.024 1.00 0.00 H new ATOM 1436 N GLU A 111 -8.685 10.727 8.635 1.00 0.00 N ATOM 1437 CA GLU A 111 -7.879 11.217 9.749 1.00 0.00 C ATOM 1438 C GLU A 111 -7.551 12.693 9.582 1.00 0.00 C ATOM 1439 O GLU A 111 -7.983 13.526 10.383 1.00 0.00 O ATOM 1440 CB GLU A 111 -6.582 10.404 9.858 1.00 0.00 C ATOM 1441 CG GLU A 111 -6.710 9.176 10.740 1.00 0.00 C ATOM 1442 CD GLU A 111 -6.569 9.493 12.215 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -7.452 10.190 12.759 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -5.576 9.042 12.825 1.00 0.00 O ATOM 0 H GLU A 111 -8.159 10.223 7.921 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.459 11.097 10.664 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.272 10.094 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.793 11.044 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.679 8.708 10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.949 8.449 10.455 1.00 0.00 H new