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 Single : A 27 SER OG : rot 15:sc= 0.523 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0.761 (180deg=0.274) USER MOD Single : A 45 ASN : amide:sc= -2.83 X(o=-2.8,f=-2.4) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.72) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 52 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00327) USER MOD Single : A 56 ASN : amide:sc= -0.408 K(o=-0.41,f=-2.6!) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0348) USER MOD Single : A 60 TYR OH : rot 70:sc= -0.534 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.83 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0395 X(o=-0.039,f=-0.38) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -120:sc= -1.29 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.119 K(o=0.12,f=-6.8!) USER MOD Single : A 94 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.6!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0869) USER MOD Single : A 100 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.35) USER MOD Single : A 106 HIS : no HE2:sc= 0.582 K(o=0.58,f=-2.8!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -10.007 -13.178 -5.686 1.00 0.00 N ATOM 16 CA SER A 27 -8.862 -13.333 -6.580 1.00 0.00 C ATOM 17 C SER A 27 -8.169 -11.995 -6.809 1.00 0.00 C ATOM 18 O SER A 27 -7.013 -11.810 -6.427 1.00 0.00 O ATOM 19 CB SER A 27 -9.302 -13.930 -7.919 1.00 0.00 C ATOM 20 OG SER A 27 -10.399 -14.810 -7.750 1.00 0.00 O ATOM 0 HA SER A 27 -8.155 -14.014 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.577 -13.129 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.469 -14.466 -8.373 1.00 0.00 H new ATOM 0 HG SER A 27 -10.798 -14.670 -6.866 1.00 0.00 H new ATOM 25 N LYS A 28 -8.881 -11.064 -7.434 1.00 0.00 N ATOM 26 CA LYS A 28 -8.332 -9.742 -7.712 1.00 0.00 C ATOM 27 C LYS A 28 -9.084 -8.668 -6.933 1.00 0.00 C ATOM 28 O LYS A 28 -10.315 -8.655 -6.906 1.00 0.00 O ATOM 29 CB LYS A 28 -8.395 -9.445 -9.212 1.00 0.00 C ATOM 30 CG LYS A 28 -7.066 -9.631 -9.925 1.00 0.00 C ATOM 31 CD LYS A 28 -6.971 -11.000 -10.579 1.00 0.00 C ATOM 32 CE LYS A 28 -5.562 -11.284 -11.072 1.00 0.00 C ATOM 33 NZ LYS A 28 -5.249 -10.536 -12.321 1.00 0.00 N ATOM 0 H LYS A 28 -9.839 -11.200 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.290 -9.733 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.139 -10.096 -9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.735 -8.420 -9.357 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.947 -8.856 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.250 -9.509 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.269 -11.767 -9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.668 -11.054 -11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.845 -11.013 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.449 -12.353 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.279 -10.757 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.917 -10.813 -13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.332 -9.515 -12.144 1.00 0.00 H new ATOM 47 N GLN A 29 -8.338 -7.765 -6.305 1.00 0.00 N ATOM 48 CA GLN A 29 -8.942 -6.685 -5.531 1.00 0.00 C ATOM 49 C GLN A 29 -8.148 -5.397 -5.687 1.00 0.00 C ATOM 50 O GLN A 29 -6.920 -5.416 -5.767 1.00 0.00 O ATOM 51 CB GLN A 29 -9.041 -7.068 -4.051 1.00 0.00 C ATOM 52 CG GLN A 29 -10.164 -8.048 -3.753 1.00 0.00 C ATOM 53 CD GLN A 29 -11.520 -7.374 -3.674 1.00 0.00 C ATOM 54 OE1 GLN A 29 -12.443 -7.722 -4.411 1.00 0.00 O ATOM 55 NE2 GLN A 29 -11.646 -6.401 -2.779 1.00 0.00 N ATOM 0 H GLN A 29 -7.318 -7.759 -6.316 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.948 -6.520 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.094 -7.504 -3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.191 -6.165 -3.459 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.188 -8.814 -4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.959 -8.555 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.854 -6.145 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.534 -5.909 -2.682 1.00 0.00 H new ATOM 64 N GLU A 30 -8.861 -4.279 -5.739 1.00 0.00 N ATOM 65 CA GLU A 30 -8.227 -2.979 -5.896 1.00 0.00 C ATOM 66 C GLU A 30 -8.830 -1.952 -4.942 1.00 0.00 C ATOM 67 O GLU A 30 -10.046 -1.758 -4.911 1.00 0.00 O ATOM 68 CB GLU A 30 -8.362 -2.509 -7.346 1.00 0.00 C ATOM 69 CG GLU A 30 -9.735 -1.954 -7.694 1.00 0.00 C ATOM 70 CD GLU A 30 -10.841 -2.976 -7.512 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.595 -4.171 -7.778 1.00 0.00 O ATOM 72 OE2 GLU A 30 -11.952 -2.581 -7.102 1.00 0.00 O ATOM 0 H GLU A 30 -9.878 -4.248 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.170 -3.079 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.612 -1.742 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.141 -3.345 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.941 -1.086 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.732 -1.608 -8.728 1.00 0.00 H new ATOM 79 N LEU A 31 -7.972 -1.297 -4.168 1.00 0.00 N ATOM 80 CA LEU A 31 -8.419 -0.287 -3.215 1.00 0.00 C ATOM 81 C LEU A 31 -7.954 1.102 -3.640 1.00 0.00 C ATOM 82 O LEU A 31 -6.787 1.301 -3.975 1.00 0.00 O ATOM 83 CB LEU A 31 -7.891 -0.608 -1.815 1.00 0.00 C ATOM 84 CG LEU A 31 -8.091 -2.058 -1.365 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.768 -2.810 -1.373 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.724 -2.107 0.018 1.00 0.00 C ATOM 0 H LEU A 31 -6.963 -1.447 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.509 -0.297 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.826 -0.377 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.382 0.050 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.766 -2.544 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.932 -3.838 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.354 -2.808 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.069 -2.323 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.858 -3.146 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.075 -1.602 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.693 -1.609 -0.008 1.00 0.00 H new ATOM 98 N ILE A 32 -8.875 2.060 -3.625 1.00 0.00 N ATOM 99 CA ILE A 32 -8.558 3.429 -4.009 1.00 0.00 C ATOM 100 C ILE A 32 -8.100 4.246 -2.806 1.00 0.00 C ATOM 101 O ILE A 32 -8.546 4.015 -1.682 1.00 0.00 O ATOM 102 CB ILE A 32 -9.770 4.128 -4.658 1.00 0.00 C ATOM 103 CG1 ILE A 32 -10.960 4.135 -3.695 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.139 3.442 -5.965 1.00 0.00 C ATOM 105 CD1 ILE A 32 -11.369 5.522 -3.254 1.00 0.00 C ATOM 0 H ILE A 32 -9.846 1.913 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.748 3.372 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.501 5.161 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.809 3.650 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.710 3.542 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.996 3.946 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.293 3.487 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.392 2.400 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.217 5.452 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.534 6.003 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.651 6.113 -4.126 1.00 0.00 H new ATOM 117 N LEU A 33 -7.209 5.199 -3.050 1.00 0.00 N ATOM 118 CA LEU A 33 -6.691 6.051 -1.986 1.00 0.00 C ATOM 119 C LEU A 33 -6.558 7.494 -2.462 1.00 0.00 C ATOM 120 O LEU A 33 -6.454 7.755 -3.660 1.00 0.00 O ATOM 121 CB LEU A 33 -5.333 5.538 -1.498 1.00 0.00 C ATOM 122 CG LEU A 33 -5.144 4.021 -1.576 1.00 0.00 C ATOM 123 CD1 LEU A 33 -4.756 3.606 -2.987 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.095 3.563 -0.574 1.00 0.00 C ATOM 0 H LEU A 33 -6.830 5.402 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.399 6.020 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.549 6.017 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.194 5.853 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.090 3.541 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.625 2.525 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.542 3.901 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.822 4.094 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.973 2.482 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.145 4.050 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.414 3.829 0.434 1.00 0.00 H new ATOM 136 N VAL A 34 -6.561 8.424 -1.514 1.00 0.00 N ATOM 137 CA VAL A 34 -6.440 9.841 -1.832 1.00 0.00 C ATOM 138 C VAL A 34 -5.861 10.617 -0.657 1.00 0.00 C ATOM 139 O VAL A 34 -6.415 10.614 0.442 1.00 0.00 O ATOM 140 CB VAL A 34 -7.794 10.450 -2.221 1.00 0.00 C ATOM 141 CG1 VAL A 34 -7.620 11.888 -2.681 1.00 0.00 C ATOM 142 CG2 VAL A 34 -8.470 9.620 -3.303 1.00 0.00 C ATOM 0 H VAL A 34 -6.646 8.221 -0.518 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.764 9.917 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.435 10.445 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.591 12.303 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.186 12.478 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.958 11.916 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.428 10.071 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.833 9.587 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.634 8.607 -2.935 1.00 0.00 H new ATOM 152 N LEU A 35 -4.739 11.275 -0.906 1.00 0.00 N ATOM 153 CA LEU A 35 -4.064 12.059 0.117 1.00 0.00 C ATOM 154 C LEU A 35 -4.659 13.451 0.223 1.00 0.00 C ATOM 155 O LEU A 35 -5.598 13.794 -0.500 1.00 0.00 O ATOM 156 CB LEU A 35 -2.573 12.150 -0.211 1.00 0.00 C ATOM 157 CG LEU A 35 -1.633 11.841 0.957 1.00 0.00 C ATOM 158 CD1 LEU A 35 -0.869 10.550 0.708 1.00 0.00 C ATOM 159 CD2 LEU A 35 -0.670 12.991 1.180 1.00 0.00 C ATOM 0 H LEU A 35 -4.274 11.281 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.199 11.563 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.353 11.461 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.357 13.154 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.236 11.713 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.207 10.350 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.574 9.726 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.278 10.647 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.009 12.755 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.076 13.148 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.232 13.897 1.407 1.00 0.00 H new ATOM 171 N LYS A 36 -4.119 14.252 1.125 1.00 0.00 N ATOM 172 CA LYS A 36 -4.600 15.615 1.330 1.00 0.00 C ATOM 173 C LYS A 36 -4.177 16.523 0.179 1.00 0.00 C ATOM 174 O LYS A 36 -4.974 17.313 -0.333 1.00 0.00 O ATOM 175 CB LYS A 36 -4.075 16.177 2.658 1.00 0.00 C ATOM 176 CG LYS A 36 -4.563 15.401 3.869 1.00 0.00 C ATOM 177 CD LYS A 36 -4.092 16.051 5.163 1.00 0.00 C ATOM 178 CE LYS A 36 -4.703 17.428 5.355 1.00 0.00 C ATOM 179 NZ LYS A 36 -4.326 18.029 6.659 1.00 0.00 N ATOM 0 H LYS A 36 -3.344 13.984 1.731 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.689 15.583 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.985 16.168 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.384 17.218 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.652 15.352 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.197 14.375 3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.357 15.414 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.005 16.133 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.379 18.084 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.789 17.355 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.765 18.968 6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.657 17.417 7.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.292 18.124 6.712 1.00 0.00 H new ATOM 193 N GLY A 37 -2.914 16.404 -0.224 1.00 0.00 N ATOM 194 CA GLY A 37 -2.405 17.219 -1.310 1.00 0.00 C ATOM 195 C GLY A 37 -1.332 18.193 -0.852 1.00 0.00 C ATOM 196 O GLY A 37 -1.211 19.290 -1.403 1.00 0.00 O ATOM 0 H GLY A 37 -2.237 15.759 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.996 16.571 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.228 17.775 -1.760 1.00 0.00 H new ATOM 200 N GLU A 38 -0.568 17.802 0.157 1.00 0.00 N ATOM 201 CA GLU A 38 0.496 18.651 0.689 1.00 0.00 C ATOM 202 C GLU A 38 1.730 18.595 -0.206 1.00 0.00 C ATOM 203 O GLU A 38 2.379 17.557 -0.324 1.00 0.00 O ATOM 204 CB GLU A 38 0.861 18.217 2.109 1.00 0.00 C ATOM 205 CG GLU A 38 1.126 16.728 2.243 1.00 0.00 C ATOM 206 CD GLU A 38 2.459 16.424 2.894 1.00 0.00 C ATOM 207 OE1 GLU A 38 3.435 17.150 2.613 1.00 0.00 O ATOM 208 OE2 GLU A 38 2.526 15.460 3.686 1.00 0.00 O ATOM 0 H GLU A 38 -0.663 16.902 0.627 1.00 0.00 H new ATOM 0 HA GLU A 38 0.132 19.678 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.747 18.765 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.051 18.495 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.328 16.273 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.096 16.268 1.255 1.00 0.00 H new ATOM 215 N LEU A 39 2.051 19.724 -0.832 1.00 0.00 N ATOM 216 CA LEU A 39 3.209 19.805 -1.714 1.00 0.00 C ATOM 217 C LEU A 39 3.076 18.824 -2.870 1.00 0.00 C ATOM 218 O LEU A 39 2.161 18.002 -2.901 1.00 0.00 O ATOM 219 CB LEU A 39 4.492 19.521 -0.927 1.00 0.00 C ATOM 220 CG LEU A 39 5.488 20.678 -0.886 1.00 0.00 C ATOM 221 CD1 LEU A 39 6.024 20.873 0.526 1.00 0.00 C ATOM 222 CD2 LEU A 39 6.635 20.445 -1.855 1.00 0.00 C ATOM 0 H LEU A 39 1.526 20.594 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 39 3.259 20.814 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.223 19.255 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.984 18.652 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 39 4.962 21.583 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.732 21.702 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.198 21.094 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.526 19.963 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.329 21.284 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.156 19.526 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.243 20.358 -2.868 1.00 0.00 H new ATOM 283 N SER A 43 5.319 10.404 -2.653 1.00 0.00 N ATOM 284 CA SER A 43 6.116 9.418 -1.933 1.00 0.00 C ATOM 285 C SER A 43 5.394 8.943 -0.675 1.00 0.00 C ATOM 286 O SER A 43 5.481 7.770 -0.307 1.00 0.00 O ATOM 287 CB SER A 43 7.475 10.019 -1.550 1.00 0.00 C ATOM 288 OG SER A 43 8.504 9.050 -1.661 1.00 0.00 O ATOM 0 HA SER A 43 6.268 8.561 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.697 10.868 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.435 10.398 -0.529 1.00 0.00 H new ATOM 0 HG SER A 43 9.362 9.454 -1.414 1.00 0.00 H new ATOM 294 N LYS A 44 4.673 9.854 -0.032 1.00 0.00 N ATOM 295 CA LYS A 44 3.933 9.526 1.181 1.00 0.00 C ATOM 296 C LYS A 44 2.865 8.476 0.900 1.00 0.00 C ATOM 297 O LYS A 44 2.577 7.622 1.739 1.00 0.00 O ATOM 298 CB LYS A 44 3.285 10.784 1.763 1.00 0.00 C ATOM 299 CG LYS A 44 2.987 10.683 3.250 1.00 0.00 C ATOM 300 CD LYS A 44 2.586 12.026 3.828 1.00 0.00 C ATOM 301 CE LYS A 44 3.811 12.849 4.228 1.00 0.00 C ATOM 302 NZ LYS A 44 3.578 13.626 5.475 1.00 0.00 N ATOM 0 H LYS A 44 4.585 10.825 -0.330 1.00 0.00 H new ATOM 0 HA LYS A 44 4.637 9.118 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.944 11.635 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.357 10.985 1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.187 9.961 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.866 10.308 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.998 12.578 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.948 11.873 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.664 12.185 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.069 13.532 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.490 13.832 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.098 14.519 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.984 13.071 6.124 1.00 0.00 H new ATOM 316 N ASN A 45 2.277 8.543 -0.289 1.00 0.00 N ATOM 317 CA ASN A 45 1.239 7.597 -0.682 1.00 0.00 C ATOM 318 C ASN A 45 1.818 6.196 -0.859 1.00 0.00 C ATOM 319 O ASN A 45 1.379 5.246 -0.208 1.00 0.00 O ATOM 320 CB ASN A 45 0.569 8.056 -1.981 1.00 0.00 C ATOM 321 CG ASN A 45 -0.896 8.395 -1.787 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.655 7.615 -1.212 1.00 0.00 O ATOM 323 ND2 ASN A 45 -1.301 9.565 -2.266 1.00 0.00 N ATOM 0 H ASN A 45 2.501 9.242 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 45 0.492 7.562 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.093 8.930 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.661 7.271 -2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.276 9.848 -2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.638 10.181 -2.736 1.00 0.00 H new ATOM 330 N MET A 46 2.803 6.074 -1.742 1.00 0.00 N ATOM 331 CA MET A 46 3.440 4.789 -2.004 1.00 0.00 C ATOM 332 C MET A 46 4.071 4.225 -0.735 1.00 0.00 C ATOM 333 O MET A 46 3.877 3.056 -0.401 1.00 0.00 O ATOM 334 CB MET A 46 4.502 4.935 -3.096 1.00 0.00 C ATOM 335 CG MET A 46 3.955 4.761 -4.502 1.00 0.00 C ATOM 336 SD MET A 46 5.133 5.256 -5.774 1.00 0.00 S ATOM 337 CE MET A 46 5.991 3.710 -6.060 1.00 0.00 C ATOM 0 H MET A 46 3.178 6.850 -2.288 1.00 0.00 H new ATOM 0 HA MET A 46 2.672 4.094 -2.345 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.963 5.919 -3.014 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.288 4.199 -2.927 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.680 3.717 -4.654 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.044 5.349 -4.608 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.754 3.854 -6.825 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.462 3.379 -5.135 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.279 2.955 -6.395 1.00 0.00 H new ATOM 347 N LYS A 47 4.825 5.063 -0.031 1.00 0.00 N ATOM 348 CA LYS A 47 5.481 4.647 1.203 1.00 0.00 C ATOM 349 C LYS A 47 4.460 4.140 2.217 1.00 0.00 C ATOM 350 O LYS A 47 4.766 3.286 3.049 1.00 0.00 O ATOM 351 CB LYS A 47 6.272 5.805 1.794 1.00 0.00 C ATOM 352 CG LYS A 47 7.094 5.421 3.017 1.00 0.00 C ATOM 353 CD LYS A 47 8.567 5.274 2.677 1.00 0.00 C ATOM 354 CE LYS A 47 9.393 4.913 3.906 1.00 0.00 C ATOM 355 NZ LYS A 47 10.683 5.650 3.947 1.00 0.00 N ATOM 0 H LYS A 47 4.997 6.033 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 47 6.165 3.832 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.938 6.206 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.582 6.604 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.972 6.179 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.720 4.483 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.690 4.504 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.937 6.206 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.820 5.136 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.588 3.841 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.213 5.375 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.242 5.418 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.498 6.673 3.970 1.00 0.00 H new ATOM 369 N ASN A 48 3.243 4.671 2.138 1.00 0.00 N ATOM 370 CA ASN A 48 2.175 4.272 3.046 1.00 0.00 C ATOM 371 C ASN A 48 1.711 2.851 2.741 1.00 0.00 C ATOM 372 O ASN A 48 1.425 2.072 3.651 1.00 0.00 O ATOM 373 CB ASN A 48 0.997 5.243 2.939 1.00 0.00 C ATOM 374 CG ASN A 48 0.937 6.209 4.103 1.00 0.00 C ATOM 375 OD1 ASN A 48 1.206 5.840 5.247 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.583 7.456 3.817 1.00 0.00 N ATOM 0 H ASN A 48 2.973 5.378 1.454 1.00 0.00 H new ATOM 0 HA ASN A 48 2.564 4.298 4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.076 5.805 2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.067 4.677 2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.525 8.153 4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.369 7.717 2.855 1.00 0.00 H new ATOM 383 N VAL A 49 1.638 2.520 1.456 1.00 0.00 N ATOM 384 CA VAL A 49 1.210 1.192 1.034 1.00 0.00 C ATOM 385 C VAL A 49 2.274 0.147 1.342 1.00 0.00 C ATOM 386 O VAL A 49 2.003 -0.852 2.006 1.00 0.00 O ATOM 387 CB VAL A 49 0.896 1.149 -0.473 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.227 -0.168 -0.838 1.00 0.00 C ATOM 389 CG2 VAL A 49 0.026 2.332 -0.877 1.00 0.00 C ATOM 0 H VAL A 49 1.869 3.152 0.690 1.00 0.00 H new ATOM 0 HA VAL A 49 0.303 0.965 1.594 1.00 0.00 H new ATOM 0 HB VAL A 49 1.834 1.220 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.011 -0.183 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.893 -0.995 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.703 -0.271 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.183 2.282 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.911 2.301 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.549 3.262 -0.653 1.00 0.00 H new ATOM 399 N ILE A 50 3.488 0.383 0.854 1.00 0.00 N ATOM 400 CA ILE A 50 4.594 -0.539 1.076 1.00 0.00 C ATOM 401 C ILE A 50 4.761 -0.852 2.561 1.00 0.00 C ATOM 402 O ILE A 50 5.198 -1.942 2.930 1.00 0.00 O ATOM 403 CB ILE A 50 5.915 0.033 0.522 1.00 0.00 C ATOM 404 CG1 ILE A 50 7.038 -0.995 0.651 1.00 0.00 C ATOM 405 CG2 ILE A 50 6.283 1.322 1.243 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.010 -2.060 -0.424 1.00 0.00 C ATOM 0 H ILE A 50 3.730 1.206 0.302 1.00 0.00 H new ATOM 0 HA ILE A 50 4.356 -1.460 0.544 1.00 0.00 H new ATOM 0 HB ILE A 50 5.776 0.260 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.998 -0.479 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.970 -1.474 1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.218 1.711 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.492 2.058 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.404 1.122 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.835 -2.755 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.066 -2.602 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.109 -1.591 -1.403 1.00 0.00 H new ATOM 418 N ASN A 51 4.407 0.109 3.407 1.00 0.00 N ATOM 419 CA ASN A 51 4.514 -0.066 4.850 1.00 0.00 C ATOM 420 C ASN A 51 3.405 -0.977 5.369 1.00 0.00 C ATOM 421 O ASN A 51 3.637 -1.819 6.238 1.00 0.00 O ATOM 422 CB ASN A 51 4.452 1.290 5.556 1.00 0.00 C ATOM 423 CG ASN A 51 5.821 1.805 5.929 1.00 0.00 C ATOM 424 OD1 ASN A 51 6.736 1.839 5.106 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.974 2.214 7.181 1.00 0.00 N ATOM 0 H ASN A 51 4.043 1.017 3.118 1.00 0.00 H new ATOM 0 HA ASN A 51 5.475 -0.534 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.959 2.013 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.842 1.201 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.876 2.574 7.493 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.190 2.169 7.832 1.00 0.00 H new ATOM 432 N ASN A 52 2.201 -0.803 4.833 1.00 0.00 N ATOM 433 CA ASN A 52 1.057 -1.609 5.243 1.00 0.00 C ATOM 434 C ASN A 52 1.065 -2.966 4.546 1.00 0.00 C ATOM 435 O ASN A 52 1.003 -4.009 5.197 1.00 0.00 O ATOM 436 CB ASN A 52 -0.249 -0.873 4.933 1.00 0.00 C ATOM 437 CG ASN A 52 -0.323 0.481 5.611 1.00 0.00 C ATOM 438 OD1 ASN A 52 0.238 0.680 6.688 1.00 0.00 O ATOM 439 ND2 ASN A 52 -1.020 1.420 4.981 1.00 0.00 N ATOM 0 H ASN A 52 1.993 -0.111 4.114 1.00 0.00 H new ATOM 0 HA ASN A 52 1.129 -1.774 6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.342 -0.742 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.093 -1.484 5.254 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.106 2.351 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.469 1.210 4.089 1.00 0.00 H new ATOM 446 N ALA A 53 1.142 -2.943 3.220 1.00 0.00 N ATOM 447 CA ALA A 53 1.159 -4.170 2.433 1.00 0.00 C ATOM 448 C ALA A 53 2.278 -5.103 2.884 1.00 0.00 C ATOM 449 O ALA A 53 2.170 -6.323 2.759 1.00 0.00 O ATOM 450 CB ALA A 53 1.304 -3.844 0.953 1.00 0.00 C ATOM 0 H ALA A 53 1.194 -2.087 2.667 1.00 0.00 H new ATOM 0 HA ALA A 53 0.211 -4.685 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.315 -4.769 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.465 -3.227 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.236 -3.303 0.789 1.00 0.00 H new ATOM 456 N LYS A 54 3.350 -4.523 3.414 1.00 0.00 N ATOM 457 CA LYS A 54 4.485 -5.309 3.886 1.00 0.00 C ATOM 458 C LYS A 54 4.221 -5.854 5.285 1.00 0.00 C ATOM 459 O LYS A 54 4.546 -7.003 5.586 1.00 0.00 O ATOM 460 CB LYS A 54 5.759 -4.464 3.886 1.00 0.00 C ATOM 461 CG LYS A 54 7.009 -5.250 4.249 1.00 0.00 C ATOM 462 CD LYS A 54 7.721 -5.767 3.009 1.00 0.00 C ATOM 463 CE LYS A 54 8.720 -6.859 3.354 1.00 0.00 C ATOM 464 NZ LYS A 54 8.164 -8.218 3.109 1.00 0.00 N ATOM 0 H LYS A 54 3.457 -3.515 3.527 1.00 0.00 H new ATOM 0 HA LYS A 54 4.620 -6.150 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.892 -4.021 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.640 -3.641 4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.686 -4.615 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.739 -6.088 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.987 -6.154 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.237 -4.944 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.624 -6.724 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.009 -6.769 4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.876 -8.934 3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.316 -8.357 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.911 -8.314 2.105 1.00 0.00 H new ATOM 478 N LYS A 55 3.626 -5.024 6.137 1.00 0.00 N ATOM 479 CA LYS A 55 3.315 -5.429 7.502 1.00 0.00 C ATOM 480 C LYS A 55 2.337 -6.599 7.507 1.00 0.00 C ATOM 481 O LYS A 55 2.436 -7.503 8.335 1.00 0.00 O ATOM 482 CB LYS A 55 2.733 -4.252 8.289 1.00 0.00 C ATOM 483 CG LYS A 55 3.752 -3.544 9.168 1.00 0.00 C ATOM 484 CD LYS A 55 3.281 -3.454 10.612 1.00 0.00 C ATOM 485 CE LYS A 55 4.453 -3.422 11.578 1.00 0.00 C ATOM 486 NZ LYS A 55 5.045 -4.775 11.780 1.00 0.00 N ATOM 0 H LYS A 55 3.351 -4.069 5.906 1.00 0.00 H new ATOM 0 HA LYS A 55 4.240 -5.749 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.307 -3.533 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.915 -4.612 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.702 -4.078 9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.933 -2.541 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.675 -2.557 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.642 -4.307 10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.218 -2.744 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.122 -3.024 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.808 -4.718 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.310 -5.429 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.430 -5.123 10.879 1.00 0.00 H new ATOM 500 N ASN A 56 1.394 -6.575 6.571 1.00 0.00 N ATOM 501 CA ASN A 56 0.400 -7.634 6.462 1.00 0.00 C ATOM 502 C ASN A 56 1.031 -8.904 5.904 1.00 0.00 C ATOM 503 O ASN A 56 0.833 -9.996 6.436 1.00 0.00 O ATOM 504 CB ASN A 56 -0.757 -7.188 5.566 1.00 0.00 C ATOM 505 CG ASN A 56 -1.538 -6.035 6.165 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.984 -6.100 7.310 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.708 -4.970 5.390 1.00 0.00 N ATOM 0 H ASN A 56 1.298 -5.833 5.877 1.00 0.00 H new ATOM 0 HA ASN A 56 0.013 -7.845 7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.366 -6.892 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.428 -8.030 5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.226 -4.163 5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.321 -4.959 4.446 1.00 0.00 H new ATOM 514 N LEU A 57 1.800 -8.751 4.827 1.00 0.00 N ATOM 515 CA LEU A 57 2.469 -9.880 4.191 1.00 0.00 C ATOM 516 C LEU A 57 3.211 -10.727 5.222 1.00 0.00 C ATOM 517 O LEU A 57 2.967 -11.929 5.348 1.00 0.00 O ATOM 518 CB LEU A 57 3.446 -9.379 3.123 1.00 0.00 C ATOM 519 CG LEU A 57 3.171 -9.882 1.708 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.109 -11.397 1.696 1.00 0.00 C ATOM 521 CD2 LEU A 57 1.878 -9.284 1.173 1.00 0.00 C ATOM 0 H LEU A 57 1.974 -7.852 4.377 1.00 0.00 H new ATOM 0 HA LEU A 57 1.710 -10.504 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.424 -8.289 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.455 -9.676 3.408 1.00 0.00 H new ATOM 0 HG LEU A 57 3.986 -9.565 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.912 -11.745 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.060 -11.803 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.310 -11.734 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.697 -9.653 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.049 -9.573 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.961 -8.197 1.153 1.00 0.00 H new ATOM 533 N GLU A 58 4.115 -10.091 5.959 1.00 0.00 N ATOM 534 CA GLU A 58 4.887 -10.786 6.980 1.00 0.00 C ATOM 535 C GLU A 58 3.973 -11.334 8.070 1.00 0.00 C ATOM 536 O GLU A 58 4.294 -12.328 8.721 1.00 0.00 O ATOM 537 CB GLU A 58 5.928 -9.845 7.592 1.00 0.00 C ATOM 538 CG GLU A 58 5.327 -8.600 8.222 1.00 0.00 C ATOM 539 CD GLU A 58 6.252 -7.401 8.141 1.00 0.00 C ATOM 540 OE1 GLU A 58 6.948 -7.257 7.114 1.00 0.00 O ATOM 541 OE2 GLU A 58 6.280 -6.606 9.104 1.00 0.00 O ATOM 0 H GLU A 58 4.330 -9.098 5.868 1.00 0.00 H new ATOM 0 HA GLU A 58 5.401 -11.623 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.495 -10.387 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.634 -9.545 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.387 -8.363 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.092 -8.803 9.267 1.00 0.00 H new ATOM 548 N LYS A 59 2.828 -10.683 8.260 1.00 0.00 N ATOM 549 CA LYS A 59 1.866 -11.110 9.268 1.00 0.00 C ATOM 550 C LYS A 59 1.420 -12.546 9.011 1.00 0.00 C ATOM 551 O LYS A 59 1.206 -13.318 9.946 1.00 0.00 O ATOM 552 CB LYS A 59 0.653 -10.174 9.276 1.00 0.00 C ATOM 553 CG LYS A 59 0.347 -9.588 10.644 1.00 0.00 C ATOM 554 CD LYS A 59 -0.978 -8.844 10.648 1.00 0.00 C ATOM 555 CE LYS A 59 -1.580 -8.784 12.042 1.00 0.00 C ATOM 556 NZ LYS A 59 -0.686 -8.080 13.003 1.00 0.00 N ATOM 0 H LYS A 59 2.546 -9.859 7.729 1.00 0.00 H new ATOM 0 HA LYS A 59 2.350 -11.067 10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.828 -9.360 8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.220 -10.721 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.319 -10.387 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.148 -8.909 10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.829 -7.832 10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.675 -9.337 9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.542 -8.273 12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.771 -9.796 12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.168 -7.986 13.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.190 -8.627 13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.455 -7.135 12.634 1.00 0.00 H new ATOM 570 N TYR A 60 1.288 -12.899 7.736 1.00 0.00 N ATOM 571 CA TYR A 60 0.875 -14.244 7.353 1.00 0.00 C ATOM 572 C TYR A 60 2.064 -15.197 7.376 1.00 0.00 C ATOM 573 O TYR A 60 1.924 -16.373 7.708 1.00 0.00 O ATOM 574 CB TYR A 60 0.245 -14.237 5.958 1.00 0.00 C ATOM 575 CG TYR A 60 -0.645 -13.043 5.696 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.916 -12.962 6.251 1.00 0.00 C ATOM 577 CD2 TYR A 60 -0.214 -11.998 4.889 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.732 -11.873 6.012 1.00 0.00 C ATOM 579 CE2 TYR A 60 -1.024 -10.905 4.644 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.281 -10.847 5.207 1.00 0.00 C ATOM 581 OH TYR A 60 -3.091 -9.761 4.966 1.00 0.00 O ATOM 0 H TYR A 60 1.461 -12.272 6.951 1.00 0.00 H new ATOM 0 HA TYR A 60 0.133 -14.587 8.074 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.039 -14.258 5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.338 -15.149 5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.272 -13.764 6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.770 -12.040 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.717 -11.825 6.453 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.674 -10.100 4.015 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.180 -9.231 5.785 1.00 0.00 H new ATOM 591 N PHE A 61 3.234 -14.679 7.020 1.00 0.00 N ATOM 592 CA PHE A 61 4.452 -15.482 7.000 1.00 0.00 C ATOM 593 C PHE A 61 4.885 -15.853 8.415 1.00 0.00 C ATOM 594 O PHE A 61 5.501 -16.894 8.633 1.00 0.00 O ATOM 595 CB PHE A 61 5.577 -14.721 6.294 1.00 0.00 C ATOM 596 CG PHE A 61 6.468 -15.599 5.462 1.00 0.00 C ATOM 597 CD1 PHE A 61 7.195 -16.624 6.046 1.00 0.00 C ATOM 598 CD2 PHE A 61 6.581 -15.397 4.096 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.017 -17.431 5.284 1.00 0.00 C ATOM 600 CE2 PHE A 61 7.401 -16.201 3.327 1.00 0.00 C ATOM 601 CZ PHE A 61 8.120 -17.220 3.922 1.00 0.00 C ATOM 0 H PHE A 61 3.365 -13.707 6.741 1.00 0.00 H new ATOM 0 HA PHE A 61 4.242 -16.400 6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.140 -13.953 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.182 -14.208 7.042 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.118 -16.794 7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.021 -14.602 3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.579 -18.226 5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.480 -16.033 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.761 -17.850 3.324 1.00 0.00 H new ATOM 611 N LYS A 62 4.564 -14.991 9.373 1.00 0.00 N ATOM 612 CA LYS A 62 4.926 -15.228 10.766 1.00 0.00 C ATOM 613 C LYS A 62 3.863 -16.055 11.488 1.00 0.00 C ATOM 614 O LYS A 62 4.156 -16.729 12.475 1.00 0.00 O ATOM 615 CB LYS A 62 5.134 -13.896 11.490 1.00 0.00 C ATOM 616 CG LYS A 62 6.549 -13.699 12.007 1.00 0.00 C ATOM 617 CD LYS A 62 6.561 -12.975 13.343 1.00 0.00 C ATOM 618 CE LYS A 62 6.729 -13.945 14.501 1.00 0.00 C ATOM 619 NZ LYS A 62 5.434 -14.557 14.908 1.00 0.00 N ATOM 0 H LYS A 62 4.054 -14.122 9.211 1.00 0.00 H new ATOM 0 HA LYS A 62 5.857 -15.795 10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.888 -13.080 10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.438 -13.835 12.327 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.036 -14.668 12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.127 -13.130 11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.372 -12.247 13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.632 -12.419 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.428 -14.731 14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.166 -13.422 15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.593 -15.212 15.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.774 -13.809 15.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.029 -15.078 14.104 1.00 0.00 H new ATOM 633 N GLU A 63 2.628 -15.988 11.003 1.00 0.00 N ATOM 634 CA GLU A 63 1.528 -16.722 11.621 1.00 0.00 C ATOM 635 C GLU A 63 1.254 -18.043 10.906 1.00 0.00 C ATOM 636 O GLU A 63 1.049 -19.073 11.549 1.00 0.00 O ATOM 637 CB GLU A 63 0.260 -15.863 11.630 1.00 0.00 C ATOM 638 CG GLU A 63 -0.503 -15.923 12.944 1.00 0.00 C ATOM 639 CD GLU A 63 -1.767 -16.755 12.847 1.00 0.00 C ATOM 640 OE1 GLU A 63 -1.666 -17.949 12.494 1.00 0.00 O ATOM 641 OE2 GLU A 63 -2.857 -16.215 13.126 1.00 0.00 O ATOM 0 H GLU A 63 2.363 -15.436 10.187 1.00 0.00 H new ATOM 0 HA GLU A 63 1.821 -16.952 12.645 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.530 -14.828 11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.396 -16.189 10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.143 -16.340 13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.762 -14.911 13.256 1.00 0.00 H new ATOM 648 N HIS A 64 1.241 -18.011 9.577 1.00 0.00 N ATOM 649 CA HIS A 64 0.977 -19.215 8.793 1.00 0.00 C ATOM 650 C HIS A 64 2.256 -19.813 8.215 1.00 0.00 C ATOM 651 O HIS A 64 2.206 -20.727 7.393 1.00 0.00 O ATOM 652 CB HIS A 64 -0.012 -18.908 7.666 1.00 0.00 C ATOM 653 CG HIS A 64 -1.420 -18.728 8.139 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.350 -19.746 8.141 1.00 0.00 N ATOM 655 CD2 HIS A 64 -2.058 -17.638 8.631 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.498 -19.291 8.612 1.00 0.00 C ATOM 657 NE2 HIS A 64 -3.347 -18.015 8.915 1.00 0.00 N ATOM 0 H HIS A 64 1.409 -17.171 9.023 1.00 0.00 H new ATOM 0 HA HIS A 64 0.542 -19.953 9.467 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.308 -18.003 7.150 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.017 -19.718 6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.632 -16.656 8.773 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.405 -19.865 8.729 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.071 -17.407 9.298 1.00 0.00 H new ATOM 666 N PHE A 65 3.399 -19.298 8.654 1.00 0.00 N ATOM 667 CA PHE A 65 4.698 -19.784 8.187 1.00 0.00 C ATOM 668 C PHE A 65 4.701 -20.008 6.675 1.00 0.00 C ATOM 669 O PHE A 65 5.395 -20.892 6.171 1.00 0.00 O ATOM 670 CB PHE A 65 5.066 -21.082 8.909 1.00 0.00 C ATOM 671 CG PHE A 65 6.368 -21.004 9.654 1.00 0.00 C ATOM 672 CD1 PHE A 65 7.485 -20.430 9.065 1.00 0.00 C ATOM 673 CD2 PHE A 65 6.477 -21.502 10.942 1.00 0.00 C ATOM 674 CE1 PHE A 65 8.685 -20.356 9.747 1.00 0.00 C ATOM 675 CE2 PHE A 65 7.674 -21.432 11.629 1.00 0.00 C ATOM 676 CZ PHE A 65 8.779 -20.857 11.030 1.00 0.00 C ATOM 0 H PHE A 65 3.455 -18.541 9.335 1.00 0.00 H new ATOM 0 HA PHE A 65 5.441 -19.020 8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.271 -21.337 9.609 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.121 -21.891 8.180 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.416 -20.036 8.062 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.616 -21.950 11.415 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.548 -19.907 9.277 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.746 -21.826 12.632 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.715 -20.800 11.565 1.00 0.00 H new ATOM 686 N LYS A 66 3.919 -19.206 5.957 1.00 0.00 N ATOM 687 CA LYS A 66 3.833 -19.324 4.506 1.00 0.00 C ATOM 688 C LYS A 66 3.494 -17.981 3.867 1.00 0.00 C ATOM 689 O LYS A 66 3.241 -16.997 4.561 1.00 0.00 O ATOM 690 CB LYS A 66 2.779 -20.363 4.121 1.00 0.00 C ATOM 691 CG LYS A 66 3.322 -21.782 4.048 1.00 0.00 C ATOM 692 CD LYS A 66 2.854 -22.496 2.789 1.00 0.00 C ATOM 693 CE LYS A 66 3.402 -23.912 2.715 1.00 0.00 C ATOM 694 NZ LYS A 66 3.177 -24.524 1.376 1.00 0.00 N ATOM 0 H LYS A 66 3.337 -18.469 6.356 1.00 0.00 H new ATOM 0 HA LYS A 66 4.806 -19.646 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.967 -20.331 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.353 -20.095 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.412 -21.757 4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.999 -22.342 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.765 -22.525 2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.174 -21.935 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.470 -23.900 2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.926 -24.526 3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.565 -25.489 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.157 -24.559 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.652 -23.952 0.649 1.00 0.00 H new ATOM 708 N GLU A 67 3.493 -17.949 2.538 1.00 0.00 N ATOM 709 CA GLU A 67 3.186 -16.727 1.803 1.00 0.00 C ATOM 710 C GLU A 67 2.317 -17.029 0.586 1.00 0.00 C ATOM 711 O GLU A 67 2.656 -17.878 -0.237 1.00 0.00 O ATOM 712 CB GLU A 67 4.476 -16.034 1.363 1.00 0.00 C ATOM 713 CG GLU A 67 4.351 -14.523 1.264 1.00 0.00 C ATOM 714 CD GLU A 67 5.077 -13.955 0.060 1.00 0.00 C ATOM 715 OE1 GLU A 67 6.299 -14.186 -0.059 1.00 0.00 O ATOM 716 OE2 GLU A 67 4.425 -13.281 -0.764 1.00 0.00 O ATOM 0 H GLU A 67 3.701 -18.755 1.948 1.00 0.00 H new ATOM 0 HA GLU A 67 2.633 -16.062 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.269 -16.279 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.779 -16.430 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.297 -14.252 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.749 -14.069 2.171 1.00 0.00 H new ATOM 723 N PHE A 68 1.195 -16.325 0.479 1.00 0.00 N ATOM 724 CA PHE A 68 0.277 -16.515 -0.639 1.00 0.00 C ATOM 725 C PHE A 68 -0.400 -15.200 -1.014 1.00 0.00 C ATOM 726 O PHE A 68 -0.469 -14.840 -2.189 1.00 0.00 O ATOM 727 CB PHE A 68 -0.780 -17.564 -0.286 1.00 0.00 C ATOM 728 CG PHE A 68 -0.386 -18.962 -0.667 1.00 0.00 C ATOM 729 CD1 PHE A 68 -0.367 -19.353 -1.996 1.00 0.00 C ATOM 730 CD2 PHE A 68 -0.033 -19.886 0.303 1.00 0.00 C ATOM 731 CE1 PHE A 68 -0.005 -20.639 -2.351 1.00 0.00 C ATOM 732 CE2 PHE A 68 0.332 -21.174 -0.045 1.00 0.00 C ATOM 733 CZ PHE A 68 0.345 -21.550 -1.374 1.00 0.00 C ATOM 0 H PHE A 68 0.899 -15.618 1.152 1.00 0.00 H new ATOM 0 HA PHE A 68 0.853 -16.865 -1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.972 -17.528 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.715 -17.309 -0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.638 -18.644 -2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.043 -19.597 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.004 -20.931 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.606 -21.884 0.721 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.629 -22.555 -1.649 1.00 0.00 H new ATOM 743 N ASP A 69 -0.896 -14.487 -0.007 1.00 0.00 N ATOM 744 CA ASP A 69 -1.564 -13.210 -0.231 1.00 0.00 C ATOM 745 C ASP A 69 -0.563 -12.143 -0.662 1.00 0.00 C ATOM 746 O ASP A 69 0.245 -11.677 0.140 1.00 0.00 O ATOM 747 CB ASP A 69 -2.292 -12.764 1.038 1.00 0.00 C ATOM 748 CG ASP A 69 -3.656 -12.172 0.745 1.00 0.00 C ATOM 749 OD1 ASP A 69 -3.712 -11.075 0.150 1.00 0.00 O ATOM 750 OD2 ASP A 69 -4.669 -12.805 1.109 1.00 0.00 O ATOM 0 H ASP A 69 -0.848 -14.772 0.971 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.293 -13.342 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.405 -13.617 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.684 -12.027 1.562 1.00 0.00 H new ATOM 755 N LYS A 70 -0.623 -11.761 -1.933 1.00 0.00 N ATOM 756 CA LYS A 70 0.279 -10.749 -2.470 1.00 0.00 C ATOM 757 C LYS A 70 -0.440 -9.414 -2.639 1.00 0.00 C ATOM 758 O LYS A 70 -1.669 -9.365 -2.725 1.00 0.00 O ATOM 759 CB LYS A 70 0.851 -11.207 -3.814 1.00 0.00 C ATOM 760 CG LYS A 70 2.281 -11.714 -3.727 1.00 0.00 C ATOM 761 CD LYS A 70 2.969 -11.680 -5.082 1.00 0.00 C ATOM 762 CE LYS A 70 4.199 -12.571 -5.106 1.00 0.00 C ATOM 763 NZ LYS A 70 3.847 -13.996 -5.354 1.00 0.00 N ATOM 0 H LYS A 70 -1.287 -12.137 -2.610 1.00 0.00 H new ATOM 0 HA LYS A 70 1.096 -10.614 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.218 -11.997 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.811 -10.376 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.841 -11.104 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.284 -12.734 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.270 -12.002 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.256 -10.656 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.883 -12.226 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.727 -12.487 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.713 -14.571 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.215 -14.334 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.366 -14.080 -6.272 1.00 0.00 H new ATOM 777 N ILE A 71 0.333 -8.332 -2.688 1.00 0.00 N ATOM 778 CA ILE A 71 -0.230 -6.997 -2.850 1.00 0.00 C ATOM 779 C ILE A 71 0.528 -6.202 -3.905 1.00 0.00 C ATOM 780 O ILE A 71 1.741 -6.347 -4.058 1.00 0.00 O ATOM 781 CB ILE A 71 -0.218 -6.208 -1.525 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.902 -7.014 -0.422 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.903 -4.860 -1.701 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.341 -6.748 0.958 1.00 0.00 C ATOM 0 H ILE A 71 1.350 -8.355 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.263 -7.134 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 71 0.818 -6.032 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.967 -6.784 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.805 -8.076 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.885 -4.317 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.378 -4.282 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.936 -5.015 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.874 -7.354 1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.718 -7.005 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.462 -5.693 1.203 1.00 0.00 H new ATOM 796 N SER A 72 -0.199 -5.360 -4.627 1.00 0.00 N ATOM 797 CA SER A 72 0.390 -4.533 -5.670 1.00 0.00 C ATOM 798 C SER A 72 -0.187 -3.123 -5.616 1.00 0.00 C ATOM 799 O SER A 72 -1.396 -2.935 -5.743 1.00 0.00 O ATOM 800 CB SER A 72 0.133 -5.157 -7.040 1.00 0.00 C ATOM 801 OG SER A 72 1.283 -5.074 -7.864 1.00 0.00 O ATOM 0 H SER A 72 -1.204 -5.232 -4.508 1.00 0.00 H new ATOM 0 HA SER A 72 1.466 -4.474 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.156 -6.201 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.702 -4.649 -7.523 1.00 0.00 H new ATOM 0 HG SER A 72 1.092 -5.482 -8.734 1.00 0.00 H new ATOM 807 N TYR A 73 0.679 -2.135 -5.418 1.00 0.00 N ATOM 808 CA TYR A 73 0.240 -0.746 -5.341 1.00 0.00 C ATOM 809 C TYR A 73 0.909 0.106 -6.413 1.00 0.00 C ATOM 810 O TYR A 73 2.057 -0.134 -6.786 1.00 0.00 O ATOM 811 CB TYR A 73 0.535 -0.174 -3.952 1.00 0.00 C ATOM 812 CG TYR A 73 2.008 -0.052 -3.638 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.745 -1.156 -3.228 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.660 1.168 -3.750 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.092 -1.046 -2.940 1.00 0.00 C ATOM 816 CE2 TYR A 73 4.008 1.286 -3.465 1.00 0.00 C ATOM 817 CZ TYR A 73 4.719 0.176 -3.061 1.00 0.00 C ATOM 818 OH TYR A 73 6.061 0.289 -2.776 1.00 0.00 O ATOM 0 H TYR A 73 1.684 -2.269 -5.308 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.836 -0.724 -5.515 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.074 0.810 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.065 -0.810 -3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.258 -2.115 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.105 2.040 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.651 -1.913 -2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.501 2.242 -3.558 1.00 0.00 H new ATOM 0 HH TYR A 73 6.347 1.216 -2.913 1.00 0.00 H new ATOM 828 N ASP A 74 0.179 1.101 -6.905 1.00 0.00 N ATOM 829 CA ASP A 74 0.697 1.991 -7.938 1.00 0.00 C ATOM 830 C ASP A 74 -0.006 3.344 -7.898 1.00 0.00 C ATOM 831 O ASP A 74 -1.158 3.447 -7.474 1.00 0.00 O ATOM 832 CB ASP A 74 0.527 1.356 -9.318 1.00 0.00 C ATOM 833 CG ASP A 74 1.669 1.696 -10.256 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.336 2.727 -10.029 1.00 0.00 O ATOM 835 OD2 ASP A 74 1.898 0.929 -11.215 1.00 0.00 O ATOM 0 H ASP A 74 -0.773 1.312 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 74 1.758 2.150 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.459 0.273 -9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.412 1.693 -9.757 1.00 0.00 H new ATOM 840 N ILE A 75 0.696 4.381 -8.347 1.00 0.00 N ATOM 841 CA ILE A 75 0.143 5.730 -8.366 1.00 0.00 C ATOM 842 C ILE A 75 -0.289 6.125 -9.775 1.00 0.00 C ATOM 843 O ILE A 75 0.241 5.619 -10.759 1.00 0.00 O ATOM 844 CB ILE A 75 1.163 6.762 -7.847 1.00 0.00 C ATOM 845 CG1 ILE A 75 2.450 6.692 -8.665 1.00 0.00 C ATOM 846 CG2 ILE A 75 1.453 6.528 -6.371 1.00 0.00 C ATOM 847 CD1 ILE A 75 3.074 8.044 -8.917 1.00 0.00 C ATOM 0 H ILE A 75 1.650 4.312 -8.703 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.726 5.726 -7.708 1.00 0.00 H new ATOM 0 HB ILE A 75 0.737 7.759 -7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.169 6.060 -8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.239 6.214 -9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.175 7.265 -6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.530 6.624 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.862 5.527 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.985 7.921 -9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.372 8.672 -9.465 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.317 8.516 -7.965 1.00 0.00 H new ATOM 859 N SER A 76 -1.258 7.032 -9.859 1.00 0.00 N ATOM 860 CA SER A 76 -1.763 7.494 -11.144 1.00 0.00 C ATOM 861 C SER A 76 -1.875 9.015 -11.172 1.00 0.00 C ATOM 862 O SER A 76 -2.854 9.583 -10.685 1.00 0.00 O ATOM 863 CB SER A 76 -3.127 6.865 -11.437 1.00 0.00 C ATOM 864 OG SER A 76 -2.982 5.600 -12.058 1.00 0.00 O ATOM 0 H SER A 76 -1.708 7.461 -9.050 1.00 0.00 H new ATOM 0 HA SER A 76 -1.056 7.186 -11.914 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.688 6.756 -10.509 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.705 7.526 -12.082 1.00 0.00 H new ATOM 0 HG SER A 76 -3.867 5.218 -12.233 1.00 0.00 H new ATOM 870 N THR A 77 -0.871 9.668 -11.738 1.00 0.00 N ATOM 871 CA THR A 77 -0.855 11.126 -11.832 1.00 0.00 C ATOM 872 C THR A 77 -1.823 11.643 -12.901 1.00 0.00 C ATOM 873 O THR A 77 -2.359 12.743 -12.768 1.00 0.00 O ATOM 874 CB THR A 77 0.561 11.631 -12.106 1.00 0.00 C ATOM 875 OG1 THR A 77 0.634 13.036 -11.934 1.00 0.00 O ATOM 876 CG2 THR A 77 1.059 11.321 -13.504 1.00 0.00 C ATOM 0 H THR A 77 -0.053 9.212 -12.141 1.00 0.00 H new ATOM 0 HA THR A 77 -1.191 11.516 -10.871 1.00 0.00 H new ATOM 0 HB THR A 77 1.191 11.105 -11.389 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.548 13.340 -12.112 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.070 11.710 -13.625 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.064 10.242 -13.657 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.401 11.788 -14.237 1.00 0.00 H new ATOM 884 N PRO A 78 -2.069 10.869 -13.981 1.00 0.00 N ATOM 885 CA PRO A 78 -2.983 11.290 -15.048 1.00 0.00 C ATOM 886 C PRO A 78 -4.381 11.604 -14.521 1.00 0.00 C ATOM 887 O PRO A 78 -5.057 12.500 -15.027 1.00 0.00 O ATOM 888 CB PRO A 78 -3.027 10.082 -15.991 1.00 0.00 C ATOM 889 CG PRO A 78 -1.775 9.328 -15.703 1.00 0.00 C ATOM 890 CD PRO A 78 -1.494 9.535 -14.245 1.00 0.00 C ATOM 0 HA PRO A 78 -2.644 12.207 -15.531 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.909 9.469 -15.807 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.069 10.396 -17.034 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.896 8.269 -15.930 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.950 9.693 -16.315 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.962 8.765 -13.631 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.425 9.507 -14.032 1.00 0.00 H new ATOM 898 N ILE A 79 -4.807 10.861 -13.505 1.00 0.00 N ATOM 899 CA ILE A 79 -6.123 11.059 -12.909 1.00 0.00 C ATOM 900 C ILE A 79 -6.014 11.598 -11.489 1.00 0.00 C ATOM 901 O ILE A 79 -7.014 12.010 -10.897 1.00 0.00 O ATOM 902 CB ILE A 79 -6.930 9.748 -12.895 1.00 0.00 C ATOM 903 CG1 ILE A 79 -6.108 8.623 -12.285 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.373 9.388 -14.309 1.00 0.00 C ATOM 905 CD1 ILE A 79 -6.913 7.374 -12.001 1.00 0.00 C ATOM 0 H ILE A 79 -4.259 10.115 -13.077 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.644 11.792 -13.526 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.819 9.891 -12.280 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.290 8.373 -12.961 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.658 8.975 -11.357 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.943 8.459 -14.286 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.997 10.187 -14.709 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.496 9.260 -14.944 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.264 6.613 -11.567 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.715 7.609 -11.301 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.342 6.998 -12.930 1.00 0.00 H new ATOM 917 N ASN A 80 -4.807 11.592 -10.933 1.00 0.00 N ATOM 918 CA ASN A 80 -4.582 12.081 -9.578 1.00 0.00 C ATOM 919 C ASN A 80 -5.268 11.182 -8.556 1.00 0.00 C ATOM 920 O ASN A 80 -5.860 11.660 -7.591 1.00 0.00 O ATOM 921 CB ASN A 80 -5.087 13.516 -9.436 1.00 0.00 C ATOM 922 CG ASN A 80 -4.258 14.329 -8.462 1.00 0.00 C ATOM 923 OD1 ASN A 80 -3.028 14.333 -8.530 1.00 0.00 O ATOM 924 ND2 ASN A 80 -4.923 15.025 -7.552 1.00 0.00 N ATOM 0 H ASN A 80 -3.967 11.253 -11.402 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.509 12.065 -9.388 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.074 14.001 -10.412 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.124 13.501 -9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.416 15.592 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.942 14.994 -7.531 1.00 0.00 H new ATOM 931 N PHE A 81 -5.181 9.874 -8.775 1.00 0.00 N ATOM 932 CA PHE A 81 -5.791 8.905 -7.873 1.00 0.00 C ATOM 933 C PHE A 81 -4.845 7.740 -7.607 1.00 0.00 C ATOM 934 O PHE A 81 -3.966 7.444 -8.416 1.00 0.00 O ATOM 935 CB PHE A 81 -7.105 8.386 -8.460 1.00 0.00 C ATOM 936 CG PHE A 81 -8.239 9.365 -8.356 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.683 9.797 -7.118 1.00 0.00 C ATOM 938 CD2 PHE A 81 -8.856 9.847 -9.497 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.728 10.699 -7.020 1.00 0.00 C ATOM 940 CE2 PHE A 81 -9.901 10.749 -9.404 1.00 0.00 C ATOM 941 CZ PHE A 81 -10.337 11.175 -8.164 1.00 0.00 C ATOM 0 H PHE A 81 -4.694 9.461 -9.570 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.997 9.406 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.950 8.133 -9.509 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.383 7.465 -7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.210 9.427 -6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.519 9.516 -10.468 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.067 11.030 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -10.376 11.120 -10.300 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.153 11.879 -8.090 1.00 0.00 H new ATOM 951 N LEU A 82 -5.030 7.078 -6.469 1.00 0.00 N ATOM 952 CA LEU A 82 -4.192 5.944 -6.101 1.00 0.00 C ATOM 953 C LEU A 82 -4.944 4.630 -6.283 1.00 0.00 C ATOM 954 O LEU A 82 -6.057 4.468 -5.783 1.00 0.00 O ATOM 955 CB LEU A 82 -3.719 6.082 -4.653 1.00 0.00 C ATOM 956 CG LEU A 82 -2.655 7.155 -4.419 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.392 6.832 -5.200 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.188 8.527 -4.808 1.00 0.00 C ATOM 0 H LEU A 82 -5.753 7.308 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.323 5.936 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.582 6.304 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.323 5.121 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.408 7.170 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.646 7.606 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.000 5.868 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.623 6.789 -6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.418 9.279 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.463 8.525 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.065 8.761 -4.205 1.00 0.00 H new ATOM 970 N CYS A 83 -4.331 3.696 -7.002 1.00 0.00 N ATOM 971 CA CYS A 83 -4.947 2.397 -7.251 1.00 0.00 C ATOM 972 C CYS A 83 -4.069 1.263 -6.730 1.00 0.00 C ATOM 973 O CYS A 83 -3.004 0.985 -7.282 1.00 0.00 O ATOM 974 CB CYS A 83 -5.203 2.210 -8.748 1.00 0.00 C ATOM 975 SG CYS A 83 -6.506 1.015 -9.129 1.00 0.00 S ATOM 0 H CYS A 83 -3.409 3.814 -7.422 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.897 2.368 -6.718 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.469 3.173 -9.184 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.278 1.888 -9.227 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.651 0.927 -10.418 1.00 0.00 H new ATOM 981 N ILE A 84 -4.523 0.612 -5.663 1.00 0.00 N ATOM 982 CA ILE A 84 -3.781 -0.492 -5.067 1.00 0.00 C ATOM 983 C ILE A 84 -4.333 -1.830 -5.529 1.00 0.00 C ATOM 984 O ILE A 84 -5.262 -2.369 -4.927 1.00 0.00 O ATOM 985 CB ILE A 84 -3.812 -0.432 -3.518 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.011 0.767 -2.987 1.00 0.00 C ATOM 987 CG2 ILE A 84 -3.278 -1.726 -2.915 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.260 1.531 -4.053 1.00 0.00 C ATOM 0 H ILE A 84 -5.402 0.831 -5.194 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.747 -0.394 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.852 -0.307 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.693 1.449 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.300 0.413 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.309 -1.661 -1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.893 -2.563 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.249 -1.881 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.721 2.361 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.551 0.866 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.965 1.918 -4.788 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.750 -2.371 -6.589 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.186 -3.655 -7.108 1.00 0.00 C ATOM 1002 C PHE A 85 -3.616 -4.782 -6.258 1.00 0.00 C ATOM 1003 O PHE A 85 -2.574 -5.350 -6.578 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.749 -3.820 -8.564 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.716 -4.613 -9.396 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -6.049 -4.243 -9.469 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -4.294 -5.727 -10.102 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.943 -4.970 -10.232 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -5.183 -6.459 -10.866 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.510 -6.080 -10.931 1.00 0.00 C ATOM 0 H PHE A 85 -2.979 -1.943 -7.102 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.274 -3.696 -7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.622 -2.834 -9.011 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.775 -4.309 -8.589 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.393 -3.377 -8.924 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.258 -6.027 -10.055 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.979 -4.671 -10.282 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.841 -7.326 -11.411 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.207 -6.650 -11.527 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.311 -5.089 -5.171 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.889 -6.148 -4.256 1.00 0.00 C ATOM 1022 C ILE A 86 -4.397 -7.518 -4.715 1.00 0.00 C ATOM 1023 O ILE A 86 -5.586 -7.819 -4.595 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.379 -5.873 -2.814 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.909 -6.980 -1.855 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.896 -5.720 -2.771 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.727 -8.256 -1.913 1.00 0.00 C ATOM 0 H ILE A 86 -5.174 -4.619 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.799 -6.157 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.939 -4.932 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.870 -7.220 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.934 -6.594 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.213 -5.528 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.196 -4.887 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.364 -6.636 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.324 -8.979 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.763 -8.036 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.683 -8.671 -2.920 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.503 -8.374 -5.255 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.870 -9.710 -5.731 1.00 0.00 C ATOM 1041 C PRO A 87 -4.015 -10.708 -4.586 1.00 0.00 C ATOM 1042 O PRO A 87 -3.038 -11.038 -3.912 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.698 -10.114 -6.643 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.777 -8.933 -6.686 1.00 0.00 C ATOM 1045 CD PRO A 87 -2.074 -8.119 -5.460 1.00 0.00 C ATOM 0 HA PRO A 87 -4.834 -9.705 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.186 -10.993 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.052 -10.369 -7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.735 -9.253 -6.697 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.939 -8.347 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.477 -8.438 -4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.868 -7.060 -5.615 1.00 0.00 H new ATOM 1053 N THR A 88 -5.236 -11.186 -4.365 1.00 0.00 N ATOM 1054 CA THR A 88 -5.493 -12.143 -3.295 1.00 0.00 C ATOM 1055 C THR A 88 -6.665 -13.056 -3.639 1.00 0.00 C ATOM 1056 O THR A 88 -7.680 -12.610 -4.176 1.00 0.00 O ATOM 1057 CB THR A 88 -5.772 -11.406 -1.985 1.00 0.00 C ATOM 1058 OG1 THR A 88 -6.005 -12.325 -0.933 1.00 0.00 O ATOM 1059 CG2 THR A 88 -6.968 -10.483 -2.061 1.00 0.00 C ATOM 0 H THR A 88 -6.059 -10.928 -4.910 1.00 0.00 H new ATOM 0 HA THR A 88 -4.604 -12.762 -3.177 1.00 0.00 H new ATOM 0 HB THR A 88 -4.882 -10.806 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.901 -12.180 -0.565 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.110 -9.992 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.798 -9.730 -2.831 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.858 -11.061 -2.308 1.00 0.00 H new ATOM 1067 N LEU A 89 -6.519 -14.336 -3.313 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.564 -15.317 -3.576 1.00 0.00 C ATOM 1069 C LEU A 89 -8.441 -15.517 -2.342 1.00 0.00 C ATOM 1070 O LEU A 89 -9.580 -15.972 -2.446 1.00 0.00 O ATOM 1071 CB LEU A 89 -6.948 -16.656 -3.997 1.00 0.00 C ATOM 1072 CG LEU A 89 -5.889 -16.576 -5.102 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -6.371 -15.700 -6.247 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -4.575 -16.052 -4.544 1.00 0.00 C ATOM 0 H LEU A 89 -5.686 -14.718 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.184 -14.940 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.498 -17.121 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.749 -17.315 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.722 -17.581 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.604 -15.657 -7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.286 -16.120 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.570 -14.694 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.835 -16.002 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.728 -15.056 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.219 -16.722 -3.761 1.00 0.00 H new ATOM 1086 N PHE A 90 -7.901 -15.174 -1.176 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.628 -15.316 0.080 1.00 0.00 C ATOM 1088 C PHE A 90 -8.986 -16.775 0.339 1.00 0.00 C ATOM 1089 O PHE A 90 -9.699 -17.403 -0.443 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.890 -14.447 0.069 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.932 -14.858 1.073 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.878 -14.394 2.378 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -11.965 -15.707 0.711 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -11.834 -14.768 3.302 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.925 -16.086 1.631 1.00 0.00 C ATOM 1096 CZ PHE A 90 -12.859 -15.617 2.928 1.00 0.00 C ATOM 0 H PHE A 90 -6.959 -14.795 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.980 -14.977 0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.606 -13.412 0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.330 -14.478 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.079 -13.732 2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.021 -16.077 -0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.781 -14.398 4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.725 -16.748 1.336 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.607 -15.913 3.649 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.483 -17.303 1.451 1.00 0.00 N ATOM 1107 CA ASP A 91 -8.738 -18.690 1.840 1.00 0.00 C ATOM 1108 C ASP A 91 -7.781 -19.127 2.944 1.00 0.00 C ATOM 1109 O ASP A 91 -8.203 -19.648 3.976 1.00 0.00 O ATOM 1110 CB ASP A 91 -8.599 -19.626 0.634 1.00 0.00 C ATOM 1111 CG ASP A 91 -9.938 -20.140 0.145 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -10.798 -20.458 0.994 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -10.129 -20.225 -1.087 1.00 0.00 O ATOM 0 H ASP A 91 -7.892 -16.788 2.104 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.759 -18.748 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.098 -19.098 -0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.965 -20.471 0.904 1.00 0.00 H new ATOM 1118 N MET A 92 -6.488 -18.913 2.716 1.00 0.00 N ATOM 1119 CA MET A 92 -5.467 -19.288 3.686 1.00 0.00 C ATOM 1120 C MET A 92 -5.564 -18.431 4.945 1.00 0.00 C ATOM 1121 O MET A 92 -5.465 -18.939 6.061 1.00 0.00 O ATOM 1122 CB MET A 92 -4.074 -19.150 3.069 1.00 0.00 C ATOM 1123 CG MET A 92 -3.631 -20.380 2.291 1.00 0.00 C ATOM 1124 SD MET A 92 -2.401 -21.359 3.175 1.00 0.00 S ATOM 1125 CE MET A 92 -3.311 -22.876 3.450 1.00 0.00 C ATOM 0 H MET A 92 -6.124 -18.481 1.867 1.00 0.00 H new ATOM 0 HA MET A 92 -5.635 -20.328 3.965 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.064 -18.286 2.404 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.352 -18.951 3.861 1.00 0.00 H new ATOM 0 HG2 MET A 92 -4.500 -21.003 2.078 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.219 -20.069 1.331 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.682 -23.585 3.988 1.00 0.00 H new ATOM 0 HE2 MET A 92 -4.204 -22.663 4.038 1.00 0.00 H new ATOM 0 HE3 MET A 92 -3.602 -23.305 2.491 1.00 0.00 H new ATOM 1135 N ASN A 93 -5.758 -17.129 4.757 1.00 0.00 N ATOM 1136 CA ASN A 93 -5.868 -16.203 5.879 1.00 0.00 C ATOM 1137 C ASN A 93 -6.949 -16.656 6.856 1.00 0.00 C ATOM 1138 O ASN A 93 -6.836 -16.451 8.064 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.176 -14.791 5.376 1.00 0.00 C ATOM 1140 CG ASN A 93 -7.498 -14.715 4.639 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -8.565 -14.707 5.254 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -7.435 -14.660 3.314 1.00 0.00 N ATOM 0 H ASN A 93 -5.842 -16.692 3.839 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.912 -16.193 6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.195 -14.103 6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.375 -14.461 4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.293 -14.609 2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.529 -14.669 2.846 1.00 0.00 H new ATOM 1149 N ASN A 94 -7.998 -17.276 6.321 1.00 0.00 N ATOM 1150 CA ASN A 94 -9.105 -17.765 7.141 1.00 0.00 C ATOM 1151 C ASN A 94 -9.594 -16.690 8.109 1.00 0.00 C ATOM 1152 O ASN A 94 -10.084 -16.999 9.196 1.00 0.00 O ATOM 1153 CB ASN A 94 -8.677 -19.011 7.917 1.00 0.00 C ATOM 1154 CG ASN A 94 -9.768 -20.062 7.969 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -10.575 -20.181 7.046 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -9.798 -20.831 9.051 1.00 0.00 N ATOM 0 H ASN A 94 -8.105 -17.452 5.322 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.928 -18.022 6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.788 -19.437 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.401 -18.727 8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.510 -21.556 9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.109 -20.697 9.791 1.00 0.00 H new ATOM 1163 N MET A 95 -9.458 -15.431 7.711 1.00 0.00 N ATOM 1164 CA MET A 95 -9.888 -14.315 8.547 1.00 0.00 C ATOM 1165 C MET A 95 -10.182 -13.080 7.702 1.00 0.00 C ATOM 1166 O MET A 95 -11.339 -12.779 7.407 1.00 0.00 O ATOM 1167 CB MET A 95 -8.818 -13.993 9.593 1.00 0.00 C ATOM 1168 CG MET A 95 -9.034 -14.698 10.922 1.00 0.00 C ATOM 1169 SD MET A 95 -8.155 -13.902 12.280 1.00 0.00 S ATOM 1170 CE MET A 95 -7.721 -15.322 13.282 1.00 0.00 C ATOM 0 H MET A 95 -9.054 -15.157 6.816 1.00 0.00 H new ATOM 0 HA MET A 95 -10.806 -14.608 9.056 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.841 -14.271 9.198 1.00 0.00 H new ATOM 0 HB3 MET A 95 -8.799 -12.916 9.761 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.100 -14.721 11.148 1.00 0.00 H new ATOM 0 HG3 MET A 95 -8.704 -15.733 10.838 1.00 0.00 H new ATOM 0 HE1 MET A 95 -7.171 -14.991 14.163 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.629 -15.838 13.594 1.00 0.00 H new ATOM 0 HE3 MET A 95 -7.099 -16.002 12.700 1.00 0.00 H new ATOM 1180 N ASP A 96 -9.129 -12.365 7.315 1.00 0.00 N ATOM 1181 CA ASP A 96 -9.277 -11.162 6.505 1.00 0.00 C ATOM 1182 C ASP A 96 -7.915 -10.578 6.146 1.00 0.00 C ATOM 1183 O ASP A 96 -6.879 -11.184 6.416 1.00 0.00 O ATOM 1184 CB ASP A 96 -10.114 -10.121 7.252 1.00 0.00 C ATOM 1185 CG ASP A 96 -9.452 -9.661 8.537 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -8.618 -8.734 8.476 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -9.769 -10.229 9.604 1.00 0.00 O ATOM 0 H ASP A 96 -8.164 -12.599 7.550 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.789 -11.434 5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.281 -9.260 6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.093 -10.542 7.481 1.00 0.00 H new ATOM 1192 N LEU A 97 -7.924 -9.396 5.538 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.687 -8.730 5.145 1.00 0.00 C ATOM 1194 C LEU A 97 -6.969 -7.336 4.591 1.00 0.00 C ATOM 1195 O LEU A 97 -6.220 -6.394 4.850 1.00 0.00 O ATOM 1196 CB LEU A 97 -5.941 -9.566 4.103 1.00 0.00 C ATOM 1197 CG LEU A 97 -6.751 -9.923 2.856 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -5.827 -10.225 1.686 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -7.665 -11.107 3.137 1.00 0.00 C ATOM 0 H LEU A 97 -8.773 -8.880 5.307 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.062 -8.627 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.049 -9.021 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.604 -10.489 4.574 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.370 -9.066 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.422 -10.477 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.215 -9.349 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.181 -11.066 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.234 -11.348 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.065 -11.969 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.351 -10.853 3.945 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.051 -7.212 3.830 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.428 -5.930 3.244 1.00 0.00 C ATOM 1213 C LEU A 98 -8.769 -4.910 4.327 1.00 0.00 C ATOM 1214 O LEU A 98 -8.699 -3.703 4.098 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.625 -6.104 2.301 1.00 0.00 C ATOM 1216 CG LEU A 98 -9.380 -6.977 1.063 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -7.955 -6.813 0.551 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -9.676 -8.440 1.372 1.00 0.00 C ATOM 0 H LEU A 98 -8.681 -7.981 3.605 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.575 -5.559 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.450 -6.535 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.947 -5.117 1.968 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.059 -6.646 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.809 -7.443 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.783 -5.771 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.252 -7.108 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.497 -9.043 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.026 -8.780 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.717 -8.544 1.677 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.140 -5.402 5.506 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.494 -4.532 6.624 1.00 0.00 C ATOM 1232 C LYS A 99 -8.382 -3.530 6.922 1.00 0.00 C ATOM 1233 O LYS A 99 -8.641 -2.432 7.416 1.00 0.00 O ATOM 1234 CB LYS A 99 -9.786 -5.369 7.872 1.00 0.00 C ATOM 1235 CG LYS A 99 -10.565 -4.617 8.939 1.00 0.00 C ATOM 1236 CD LYS A 99 -11.658 -5.482 9.548 1.00 0.00 C ATOM 1237 CE LYS A 99 -11.724 -5.319 11.057 1.00 0.00 C ATOM 1238 NZ LYS A 99 -12.000 -3.911 11.454 1.00 0.00 N ATOM 0 H LYS A 99 -9.203 -6.399 5.712 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.388 -3.975 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.348 -6.256 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.843 -5.714 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.883 -4.286 9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.009 -3.722 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.620 -5.216 9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.475 -6.528 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.502 -5.968 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.781 -5.642 11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.352 -3.889 12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.124 -3.354 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.717 -3.505 10.819 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.146 -3.912 6.620 1.00 0.00 N ATOM 1253 CA GLN A 100 -5.998 -3.045 6.860 1.00 0.00 C ATOM 1254 C GLN A 100 -5.820 -2.044 5.722 1.00 0.00 C ATOM 1255 O GLN A 100 -5.476 -0.885 5.949 1.00 0.00 O ATOM 1256 CB GLN A 100 -4.726 -3.879 7.023 1.00 0.00 C ATOM 1257 CG GLN A 100 -3.579 -3.122 7.670 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.880 -2.715 9.099 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -3.522 -3.417 10.046 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -4.545 -1.577 9.263 1.00 0.00 N ATOM 0 H GLN A 100 -6.913 -4.816 6.209 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.182 -2.491 7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.954 -4.759 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.408 -4.236 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.684 -3.744 7.654 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.359 -2.231 7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.822 -1.027 8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.778 -1.253 10.202 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.056 -2.502 4.497 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.920 -1.650 3.323 1.00 0.00 C ATOM 1271 C ALA A 101 -7.087 -0.672 3.215 1.00 0.00 C ATOM 1272 O ALA A 101 -6.906 0.490 2.844 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.825 -2.502 2.067 1.00 0.00 C ATOM 0 H ALA A 101 -6.343 -3.459 4.292 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.004 -1.069 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.724 -1.855 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.956 -3.157 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.727 -3.106 1.968 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.283 -1.148 3.540 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.478 -0.314 3.476 1.00 0.00 C ATOM 1281 C LEU A 102 -9.521 0.671 4.642 1.00 0.00 C ATOM 1282 O LEU A 102 -10.119 1.741 4.536 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.736 -1.185 3.480 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.016 -1.920 4.791 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -11.731 -1.006 5.774 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -11.839 -3.173 4.531 1.00 0.00 C ATOM 0 H LEU A 102 -8.452 -2.105 3.850 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.442 0.255 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.594 -0.556 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.651 -1.921 2.681 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.064 -2.217 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.922 -1.547 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.107 -0.137 5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.677 -0.678 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.030 -3.685 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.787 -2.896 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.290 -3.836 3.863 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.884 0.304 5.750 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.854 1.159 6.931 1.00 0.00 C ATOM 1300 C LEU A 103 -7.867 2.308 6.752 1.00 0.00 C ATOM 1301 O LEU A 103 -8.181 3.461 7.048 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.479 0.341 8.169 1.00 0.00 C ATOM 1303 CG LEU A 103 -9.655 -0.318 8.891 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -9.155 -1.290 9.948 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -10.553 0.739 9.517 1.00 0.00 C ATOM 0 H LEU A 103 -8.383 -0.578 5.854 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.851 1.579 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.774 -0.435 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.960 0.992 8.872 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.239 -0.878 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.006 -1.749 10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.552 -2.065 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.548 -0.754 10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.385 0.254 10.027 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.979 1.325 10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.939 1.397 8.738 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.669 1.986 6.275 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.635 2.993 6.066 1.00 0.00 C ATOM 1319 C ILE A 104 -6.054 4.019 5.017 1.00 0.00 C ATOM 1320 O ILE A 104 -5.903 5.223 5.225 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.298 2.355 5.642 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -4.491 1.470 4.410 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.707 1.551 6.791 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -4.216 2.182 3.104 1.00 0.00 C ATOM 0 H ILE A 104 -6.390 1.037 6.026 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.500 3.498 7.023 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.601 3.152 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -3.833 0.605 4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -5.514 1.093 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.763 1.106 6.476 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.532 2.208 7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.402 0.762 7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.373 1.493 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.892 3.031 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.185 2.535 3.092 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.576 3.544 3.890 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.007 4.440 2.822 1.00 0.00 C ATOM 1338 C LEU A 105 -8.158 5.328 3.285 1.00 0.00 C ATOM 1339 O LEU A 105 -8.193 6.521 2.982 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.417 3.643 1.579 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.728 2.860 1.701 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.924 3.775 1.480 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.747 1.705 0.711 1.00 0.00 C ATOM 0 H LEU A 105 -6.710 2.552 3.693 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.164 5.080 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.502 4.332 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.617 2.943 1.337 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.794 2.453 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.845 3.199 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.918 4.569 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.867 4.213 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.684 1.157 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.658 2.094 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.912 1.035 0.917 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.096 4.743 4.024 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.243 5.491 4.528 1.00 0.00 C ATOM 1357 C HIS A 106 -9.802 6.517 5.565 1.00 0.00 C ATOM 1358 O HIS A 106 -10.287 7.645 5.582 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.274 4.541 5.140 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.385 4.180 4.203 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.489 2.944 3.600 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.439 4.895 3.766 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -13.557 2.915 2.833 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.156 4.090 2.916 1.00 0.00 N ATOM 0 H HIS A 106 -9.085 3.757 4.286 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.701 6.016 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.770 3.629 5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.697 5.003 6.032 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -11.837 2.170 3.729 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.676 5.914 4.035 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -13.887 2.076 2.238 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.873 6.117 6.428 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.362 7.002 7.467 1.00 0.00 C ATOM 1375 C ASN A 107 -7.754 8.261 6.857 1.00 0.00 C ATOM 1376 O ASN A 107 -7.778 9.332 7.463 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.318 6.272 8.318 1.00 0.00 C ATOM 1378 CG ASN A 107 -7.794 6.034 9.737 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -8.723 5.260 9.971 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -7.162 6.696 10.691 1.00 0.00 N ATOM 0 H ASN A 107 -8.459 5.185 6.428 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.196 7.297 8.104 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.078 5.316 7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.398 6.856 8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -7.439 6.575 11.665 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.397 7.328 10.453 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.209 8.124 5.652 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.596 9.250 4.957 1.00 0.00 C ATOM 1389 C ASP A 108 -7.661 10.164 4.362 1.00 0.00 C ATOM 1390 O ASP A 108 -7.512 11.385 4.356 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.662 8.750 3.854 1.00 0.00 C ATOM 1392 CG ASP A 108 -4.717 7.668 4.343 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -4.514 7.568 5.571 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -4.182 6.922 3.496 1.00 0.00 O ATOM 0 H ASP A 108 -7.180 7.244 5.137 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.016 9.820 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.256 8.363 3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.082 9.587 3.466 1.00 0.00 H new ATOM 1399 N LEU A 109 -8.736 9.561 3.864 1.00 0.00 N ATOM 1400 CA LEU A 109 -9.824 10.319 3.267 1.00 0.00 C ATOM 1401 C LEU A 109 -10.692 10.960 4.344 1.00 0.00 C ATOM 1402 O LEU A 109 -11.225 12.057 4.157 1.00 0.00 O ATOM 1403 CB LEU A 109 -10.683 9.415 2.377 1.00 0.00 C ATOM 1404 CG LEU A 109 -10.271 9.377 0.905 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -9.313 8.225 0.649 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -11.495 9.258 0.012 1.00 0.00 C ATOM 0 H LEU A 109 -8.875 8.550 3.863 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.388 11.108 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.649 8.401 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.719 9.747 2.440 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.760 10.310 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.031 8.214 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -8.421 8.350 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.800 7.284 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.183 9.232 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.033 8.341 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.148 10.115 0.174 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.838 10.274 5.470 1.00 0.00 N ATOM 1419 CA HIS A 110 -11.644 10.773 6.579 1.00 0.00 C ATOM 1420 C HIS A 110 -11.009 12.008 7.214 1.00 0.00 C ATOM 1421 O HIS A 110 -11.652 12.714 7.981 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.824 9.677 7.635 1.00 0.00 C ATOM 1423 CG HIS A 110 -13.253 9.484 8.049 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -14.008 8.398 7.655 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -14.063 10.241 8.827 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -15.219 8.498 8.172 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -15.279 9.607 8.887 1.00 0.00 N ATOM 0 H HIS A 110 -10.407 9.366 5.641 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.619 11.058 6.184 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.436 8.737 7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.229 9.926 8.513 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -13.801 11.171 9.310 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.025 7.792 8.034 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -16.096 9.938 9.400 1.00 0.00 H new ATOM 1436 N GLU A 111 -9.743 12.264 6.891 1.00 0.00 N ATOM 1437 CA GLU A 111 -9.030 13.410 7.433 1.00 0.00 C ATOM 1438 C GLU A 111 -9.781 14.705 7.142 1.00 0.00 C ATOM 1439 O GLU A 111 -9.708 15.667 7.919 1.00 0.00 O ATOM 1440 CB GLU A 111 -7.616 13.487 6.851 1.00 0.00 C ATOM 1441 CG GLU A 111 -6.764 12.269 7.162 1.00 0.00 C ATOM 1442 CD GLU A 111 -6.560 12.064 8.648 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -6.418 13.072 9.370 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -6.543 10.901 9.093 1.00 0.00 O ATOM 0 H GLU A 111 -9.192 11.689 6.254 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.962 13.282 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.683 13.607 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.120 14.376 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.236 11.383 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.794 12.376 6.677 1.00 0.00 H new