USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=13 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 K(o=-3.9,f=-2.4) USER MOD Set 1.2: A 107 ASN : amide:sc= -0.439 K(o=-3.9,f=-4.8!) USER MOD Set 1.3: A 110 HIS : no HD1:sc= -3.49 K(o=-3.9,f=-2.4) USER MOD Set 2.1: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 MET CE :methyl 150:sc= -1.19 (180deg=-2.62!) USER MOD Set 3.1: A 76 SER OG : rot 157:sc= 0.193 USER MOD Set 3.2: A 83 CYS SG : rot 180:sc= 0.184 USER MOD Set 4.1: A 48 ASN : amide:sc= -6.71! C(o=-8.3!,f=-18!) USER MOD Set 4.2: A 52 ASN : amide:sc= -1.54! C(o=-8.3!,f=-11!) USER MOD Set 4.3: A 100 GLN : amide:sc= -0.0305 K(o=-8.3,f=-9.1) USER MOD Single : A 27 SER OG : rot -66:sc= 1.09 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.133) USER MOD Single : A 29 GLN : amide:sc=-0.00404 K(o=-0.004,f=-0.68) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 24:sc= 0.254 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.24 K(o=-2.2,f=-8!) 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 51 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.28 (180deg=-0.513) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.112) USER MOD Single : A 56 ASN : amide:sc= -2.23 X(o=-2.2,f=-2.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -30:sc= -1.12 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 USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.43 USER MOD Single : A 80 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.1) USER MOD Single : A 93 ASN : amide:sc= -5.92! C(o=-5.9!,f=-6.6!) USER MOD Single : A 94 ASN : amide:sc= -2.32 K(o=-2.3,f=-7.3!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -8.437 -14.099 -6.991 1.00 0.00 N ATOM 16 CA SER A 27 -9.017 -13.133 -6.065 1.00 0.00 C ATOM 17 C SER A 27 -8.251 -11.813 -6.108 1.00 0.00 C ATOM 18 O SER A 27 -7.525 -11.472 -5.172 1.00 0.00 O ATOM 19 CB SER A 27 -9.019 -13.696 -4.642 1.00 0.00 C ATOM 20 OG SER A 27 -9.168 -12.663 -3.683 1.00 0.00 O ATOM 0 HA SER A 27 -10.046 -12.943 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.830 -14.416 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.089 -14.234 -4.459 1.00 0.00 H new ATOM 0 HG SER A 27 -8.380 -12.080 -3.705 1.00 0.00 H new ATOM 25 N LYS A 28 -8.420 -11.075 -7.199 1.00 0.00 N ATOM 26 CA LYS A 28 -7.747 -9.793 -7.362 1.00 0.00 C ATOM 27 C LYS A 28 -8.553 -8.679 -6.704 1.00 0.00 C ATOM 28 O LYS A 28 -9.689 -8.410 -7.092 1.00 0.00 O ATOM 29 CB LYS A 28 -7.542 -9.482 -8.846 1.00 0.00 C ATOM 30 CG LYS A 28 -8.800 -9.653 -9.684 1.00 0.00 C ATOM 31 CD LYS A 28 -8.723 -10.892 -10.564 1.00 0.00 C ATOM 32 CE LYS A 28 -10.011 -11.700 -10.505 1.00 0.00 C ATOM 33 NZ LYS A 28 -11.195 -10.886 -10.898 1.00 0.00 N ATOM 0 H LYS A 28 -9.016 -11.342 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.773 -9.855 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.184 -8.457 -8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.762 -10.133 -9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.668 -9.725 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.945 -8.771 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.525 -10.596 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.887 -11.514 -10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.929 -12.563 -11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.153 -12.084 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.985 -11.517 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.473 -10.272 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.955 -10.299 -11.722 1.00 0.00 H new ATOM 47 N GLN A 29 -7.959 -8.034 -5.704 1.00 0.00 N ATOM 48 CA GLN A 29 -8.631 -6.951 -4.995 1.00 0.00 C ATOM 49 C GLN A 29 -7.899 -5.633 -5.199 1.00 0.00 C ATOM 50 O GLN A 29 -6.672 -5.595 -5.275 1.00 0.00 O ATOM 51 CB GLN A 29 -8.739 -7.272 -3.503 1.00 0.00 C ATOM 52 CG GLN A 29 -9.821 -6.478 -2.789 1.00 0.00 C ATOM 53 CD GLN A 29 -10.489 -7.270 -1.682 1.00 0.00 C ATOM 54 OE1 GLN A 29 -9.895 -8.187 -1.114 1.00 0.00 O ATOM 55 NE2 GLN A 29 -11.731 -6.919 -1.370 1.00 0.00 N ATOM 0 H GLN A 29 -7.019 -8.241 -5.368 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.636 -6.852 -5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.941 -8.336 -3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.779 -7.073 -3.026 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.385 -5.571 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.574 -6.165 -3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.185 -6.152 -1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.232 -7.416 -0.633 1.00 0.00 H new ATOM 64 N GLU A 30 -8.666 -4.555 -5.303 1.00 0.00 N ATOM 65 CA GLU A 30 -8.093 -3.236 -5.515 1.00 0.00 C ATOM 66 C GLU A 30 -8.741 -2.199 -4.599 1.00 0.00 C ATOM 67 O GLU A 30 -9.959 -2.191 -4.417 1.00 0.00 O ATOM 68 CB GLU A 30 -8.255 -2.837 -6.982 1.00 0.00 C ATOM 69 CG GLU A 30 -9.685 -2.493 -7.376 1.00 0.00 C ATOM 70 CD GLU A 30 -10.564 -3.721 -7.514 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.966 -4.283 -6.474 1.00 0.00 O ATOM 72 OE2 GLU A 30 -10.849 -4.120 -8.663 1.00 0.00 O ATOM 0 H GLU A 30 -9.684 -4.570 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.032 -3.273 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.616 -1.978 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.902 -3.654 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.114 -1.826 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.677 -1.949 -8.320 1.00 0.00 H new ATOM 79 N LEU A 31 -7.916 -1.331 -4.021 1.00 0.00 N ATOM 80 CA LEU A 31 -8.404 -0.292 -3.120 1.00 0.00 C ATOM 81 C LEU A 31 -8.038 1.098 -3.635 1.00 0.00 C ATOM 82 O LEU A 31 -6.863 1.454 -3.711 1.00 0.00 O ATOM 83 CB LEU A 31 -7.830 -0.499 -1.717 1.00 0.00 C ATOM 84 CG LEU A 31 -8.308 -1.766 -1.002 1.00 0.00 C ATOM 85 CD1 LEU A 31 -7.308 -2.896 -1.190 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.533 -1.493 0.477 1.00 0.00 C ATOM 0 H LEU A 31 -6.906 -1.327 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.491 -0.364 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.743 -0.528 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.088 0.365 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.257 -2.071 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.665 -3.788 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.197 -3.111 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.343 -2.601 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.872 -2.405 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.600 -1.162 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.289 -0.716 0.593 1.00 0.00 H new ATOM 98 N ILE A 32 -9.049 1.880 -3.991 1.00 0.00 N ATOM 99 CA ILE A 32 -8.831 3.232 -4.495 1.00 0.00 C ATOM 100 C ILE A 32 -8.532 4.200 -3.359 1.00 0.00 C ATOM 101 O ILE A 32 -9.344 4.395 -2.464 1.00 0.00 O ATOM 102 CB ILE A 32 -10.046 3.747 -5.291 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.343 3.485 -4.521 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.101 3.095 -6.661 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.512 4.302 -5.019 1.00 0.00 C ATOM 0 H ILE A 32 -10.029 1.602 -3.940 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.971 3.181 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.937 4.823 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.592 2.426 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.180 3.703 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.965 3.471 -7.208 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.191 3.331 -7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.186 2.014 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.398 4.067 -4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.282 5.363 -4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.700 4.067 -6.066 1.00 0.00 H new ATOM 117 N LEU A 33 -7.358 4.813 -3.405 1.00 0.00 N ATOM 118 CA LEU A 33 -6.946 5.767 -2.385 1.00 0.00 C ATOM 119 C LEU A 33 -7.010 7.195 -2.918 1.00 0.00 C ATOM 120 O LEU A 33 -7.441 7.433 -4.050 1.00 0.00 O ATOM 121 CB LEU A 33 -5.531 5.457 -1.891 1.00 0.00 C ATOM 122 CG LEU A 33 -5.348 5.532 -0.371 1.00 0.00 C ATOM 123 CD1 LEU A 33 -4.801 4.217 0.165 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.423 6.679 0.000 1.00 0.00 C ATOM 0 H LEU A 33 -6.670 4.665 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.637 5.677 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.255 4.457 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.837 6.154 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.322 5.714 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.677 4.288 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.497 3.411 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.836 4.009 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.306 6.716 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.449 6.526 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.850 7.619 -0.351 1.00 0.00 H new ATOM 136 N VAL A 34 -6.573 8.149 -2.100 1.00 0.00 N ATOM 137 CA VAL A 34 -6.576 9.557 -2.487 1.00 0.00 C ATOM 138 C VAL A 34 -5.366 10.276 -1.918 1.00 0.00 C ATOM 139 O VAL A 34 -5.189 10.354 -0.703 1.00 0.00 O ATOM 140 CB VAL A 34 -7.863 10.265 -2.026 1.00 0.00 C ATOM 141 CG1 VAL A 34 -7.850 11.718 -2.479 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.088 9.539 -2.556 1.00 0.00 C ATOM 0 H VAL A 34 -6.211 7.972 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.533 9.593 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.907 10.245 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.764 12.210 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.988 12.226 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.789 11.760 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.989 10.053 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.061 9.528 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.094 8.515 -2.182 1.00 0.00 H new ATOM 152 N LEU A 35 -4.551 10.801 -2.808 1.00 0.00 N ATOM 153 CA LEU A 35 -3.353 11.531 -2.424 1.00 0.00 C ATOM 154 C LEU A 35 -3.709 12.867 -1.769 1.00 0.00 C ATOM 155 O LEU A 35 -4.717 13.486 -2.110 1.00 0.00 O ATOM 156 CB LEU A 35 -2.478 11.759 -3.651 1.00 0.00 C ATOM 157 CG LEU A 35 -0.991 11.461 -3.455 1.00 0.00 C ATOM 158 CD1 LEU A 35 -0.361 11.017 -4.766 1.00 0.00 C ATOM 159 CD2 LEU A 35 -0.267 12.670 -2.897 1.00 0.00 C ATOM 0 H LEU A 35 -4.696 10.736 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.803 10.937 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.852 11.138 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.586 12.797 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.898 10.649 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.697 10.809 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.859 10.115 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.469 11.808 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.789 12.433 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.369 13.506 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.700 12.941 -1.934 1.00 0.00 H new ATOM 171 N LYS A 36 -2.877 13.298 -0.828 1.00 0.00 N ATOM 172 CA LYS A 36 -3.096 14.552 -0.130 1.00 0.00 C ATOM 173 C LYS A 36 -1.782 15.281 0.100 1.00 0.00 C ATOM 174 O LYS A 36 -0.711 14.787 -0.244 1.00 0.00 O ATOM 175 CB LYS A 36 -3.793 14.296 1.210 1.00 0.00 C ATOM 176 CG LYS A 36 -5.273 13.967 1.079 1.00 0.00 C ATOM 177 CD LYS A 36 -6.129 15.217 1.150 1.00 0.00 C ATOM 178 CE LYS A 36 -5.969 16.082 -0.086 1.00 0.00 C ATOM 179 NZ LYS A 36 -7.208 16.832 -0.411 1.00 0.00 N ATOM 0 H LYS A 36 -2.042 12.792 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.734 15.180 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.291 13.473 1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.681 15.177 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.451 13.456 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.565 13.279 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.176 14.935 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.857 15.793 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.151 16.785 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.694 15.454 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.051 17.409 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.984 16.162 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.458 17.452 0.386 1.00 0.00 H new ATOM 193 N GLY A 37 -1.869 16.479 0.684 1.00 0.00 N ATOM 194 CA GLY A 37 -0.683 17.258 0.953 1.00 0.00 C ATOM 195 C GLY A 37 -0.743 17.981 2.286 1.00 0.00 C ATOM 196 O GLY A 37 -1.763 18.565 2.633 1.00 0.00 O ATOM 0 H GLY A 37 -2.744 16.917 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.187 16.602 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.545 17.988 0.155 1.00 0.00 H new ATOM 200 N GLU A 38 0.354 17.931 3.034 1.00 0.00 N ATOM 201 CA GLU A 38 0.427 18.580 4.333 1.00 0.00 C ATOM 202 C GLU A 38 1.842 19.058 4.629 1.00 0.00 C ATOM 203 O GLU A 38 2.784 18.274 4.645 1.00 0.00 O ATOM 204 CB GLU A 38 -0.039 17.620 5.430 1.00 0.00 C ATOM 205 CG GLU A 38 -0.830 18.294 6.545 1.00 0.00 C ATOM 206 CD GLU A 38 -0.520 17.725 7.912 1.00 0.00 C ATOM 207 OE1 GLU A 38 -0.839 16.533 8.139 1.00 0.00 O ATOM 208 OE2 GLU A 38 0.041 18.452 8.753 1.00 0.00 O ATOM 0 H GLU A 38 1.207 17.445 2.759 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.230 19.449 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.655 16.841 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.832 17.127 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.613 19.362 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.896 18.185 6.345 1.00 0.00 H new ATOM 215 N LEU A 39 1.981 20.361 4.866 1.00 0.00 N ATOM 216 CA LEU A 39 3.279 20.954 5.164 1.00 0.00 C ATOM 217 C LEU A 39 4.182 20.927 3.929 1.00 0.00 C ATOM 218 O LEU A 39 4.515 21.982 3.375 1.00 0.00 O ATOM 219 CB LEU A 39 3.959 20.211 6.317 1.00 0.00 C ATOM 220 CG LEU A 39 5.127 20.958 6.968 1.00 0.00 C ATOM 221 CD1 LEU A 39 4.750 21.431 8.364 1.00 0.00 C ATOM 222 CD2 LEU A 39 6.363 20.082 7.022 1.00 0.00 C ATOM 0 H LEU A 39 1.208 21.026 4.857 1.00 0.00 H new ATOM 0 HA LEU A 39 3.115 21.991 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.213 19.997 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.321 19.252 5.948 1.00 0.00 H new ATOM 0 HG LEU A 39 5.353 21.832 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.593 21.959 8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.893 22.102 8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.493 20.571 8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.180 20.633 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.149 19.187 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.650 19.795 6.010 1.00 0.00 H new ATOM 283 N SER A 43 4.256 12.386 0.431 1.00 0.00 N ATOM 284 CA SER A 43 3.738 11.223 -0.278 1.00 0.00 C ATOM 285 C SER A 43 3.582 10.030 0.672 1.00 0.00 C ATOM 286 O SER A 43 4.153 8.968 0.447 1.00 0.00 O ATOM 287 CB SER A 43 4.662 10.848 -1.437 1.00 0.00 C ATOM 288 OG SER A 43 5.020 11.995 -2.192 1.00 0.00 O ATOM 0 HA SER A 43 2.757 11.481 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.561 10.368 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.166 10.123 -2.083 1.00 0.00 H new ATOM 0 HG SER A 43 4.934 12.795 -1.632 1.00 0.00 H new ATOM 294 N LYS A 44 2.813 10.238 1.733 1.00 0.00 N ATOM 295 CA LYS A 44 2.584 9.180 2.718 1.00 0.00 C ATOM 296 C LYS A 44 1.734 8.052 2.141 1.00 0.00 C ATOM 297 O LYS A 44 1.738 6.935 2.659 1.00 0.00 O ATOM 298 CB LYS A 44 1.902 9.759 3.956 1.00 0.00 C ATOM 299 CG LYS A 44 0.698 10.640 3.637 1.00 0.00 C ATOM 300 CD LYS A 44 1.014 12.110 3.838 1.00 0.00 C ATOM 301 CE LYS A 44 0.477 12.615 5.172 1.00 0.00 C ATOM 302 NZ LYS A 44 1.453 13.500 5.860 1.00 0.00 N ATOM 0 H LYS A 44 2.340 11.119 1.936 1.00 0.00 H new ATOM 0 HA LYS A 44 3.554 8.765 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.581 8.940 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.629 10.343 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.386 10.472 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.140 10.357 4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.093 12.261 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.580 12.692 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.453 13.159 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.241 11.766 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.052 13.823 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.332 12.974 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.659 14.323 5.259 1.00 0.00 H new ATOM 316 N ASN A 45 1.005 8.348 1.067 1.00 0.00 N ATOM 317 CA ASN A 45 0.151 7.345 0.428 1.00 0.00 C ATOM 318 C ASN A 45 0.961 6.121 0.011 1.00 0.00 C ATOM 319 O ASN A 45 0.675 5.004 0.443 1.00 0.00 O ATOM 320 CB ASN A 45 -0.556 7.950 -0.792 1.00 0.00 C ATOM 321 CG ASN A 45 0.356 8.826 -1.630 1.00 0.00 C ATOM 322 OD1 ASN A 45 0.983 9.754 -1.120 1.00 0.00 O ATOM 323 ND2 ASN A 45 0.431 8.537 -2.923 1.00 0.00 N ATOM 0 H ASN A 45 0.987 9.266 0.623 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.598 7.027 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.950 7.145 -1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.409 8.540 -0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.026 9.094 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.107 7.758 -3.304 1.00 0.00 H new ATOM 330 N MET A 46 1.971 6.333 -0.826 1.00 0.00 N ATOM 331 CA MET A 46 2.816 5.240 -1.293 1.00 0.00 C ATOM 332 C MET A 46 3.538 4.582 -0.123 1.00 0.00 C ATOM 333 O MET A 46 3.802 3.377 -0.138 1.00 0.00 O ATOM 334 CB MET A 46 3.833 5.749 -2.316 1.00 0.00 C ATOM 335 CG MET A 46 4.750 6.836 -1.776 1.00 0.00 C ATOM 336 SD MET A 46 6.475 6.315 -1.692 1.00 0.00 S ATOM 337 CE MET A 46 7.001 6.614 -3.379 1.00 0.00 C ATOM 0 H MET A 46 2.224 7.250 -1.194 1.00 0.00 H new ATOM 0 HA MET A 46 2.178 4.497 -1.771 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.440 4.911 -2.660 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.300 6.134 -3.185 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.672 7.719 -2.410 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.414 7.127 -0.781 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.050 6.340 -3.487 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.397 6.014 -4.060 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.876 7.670 -3.617 1.00 0.00 H new ATOM 347 N LYS A 47 3.847 5.381 0.893 1.00 0.00 N ATOM 348 CA LYS A 47 4.532 4.881 2.077 1.00 0.00 C ATOM 349 C LYS A 47 3.567 4.129 2.989 1.00 0.00 C ATOM 350 O LYS A 47 3.980 3.292 3.790 1.00 0.00 O ATOM 351 CB LYS A 47 5.179 6.038 2.842 1.00 0.00 C ATOM 352 CG LYS A 47 6.559 5.711 3.387 1.00 0.00 C ATOM 353 CD LYS A 47 7.506 6.895 3.251 1.00 0.00 C ATOM 354 CE LYS A 47 8.859 6.600 3.879 1.00 0.00 C ATOM 355 NZ LYS A 47 9.897 6.312 2.850 1.00 0.00 N ATOM 0 H LYS A 47 3.633 6.378 0.919 1.00 0.00 H new ATOM 0 HA LYS A 47 5.309 4.188 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.254 6.902 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.529 6.324 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.479 5.426 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.968 4.853 2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.638 7.138 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.066 7.771 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.173 7.452 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.769 5.748 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.805 6.116 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.610 5.484 2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.002 7.135 2.223 1.00 0.00 H new ATOM 369 N ASN A 48 2.279 4.434 2.860 1.00 0.00 N ATOM 370 CA ASN A 48 1.256 3.790 3.672 1.00 0.00 C ATOM 371 C ASN A 48 0.998 2.366 3.193 1.00 0.00 C ATOM 372 O ASN A 48 0.724 1.472 3.994 1.00 0.00 O ATOM 373 CB ASN A 48 -0.039 4.595 3.630 1.00 0.00 C ATOM 374 CG ASN A 48 -0.972 4.242 4.775 1.00 0.00 C ATOM 375 OD1 ASN A 48 -1.253 3.071 5.026 1.00 0.00 O ATOM 376 ND2 ASN A 48 -1.457 5.265 5.478 1.00 0.00 N ATOM 0 H ASN A 48 1.920 5.124 2.200 1.00 0.00 H new ATOM 0 HA ASN A 48 1.617 3.749 4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.195 5.659 3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.546 4.415 2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.089 5.092 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.197 6.221 5.234 1.00 0.00 H new ATOM 383 N VAL A 49 1.084 2.159 1.882 1.00 0.00 N ATOM 384 CA VAL A 49 0.856 0.836 1.306 1.00 0.00 C ATOM 385 C VAL A 49 2.085 -0.048 1.465 1.00 0.00 C ATOM 386 O VAL A 49 1.969 -1.226 1.799 1.00 0.00 O ATOM 387 CB VAL A 49 0.489 0.916 -0.186 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.013 -0.431 -0.693 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.564 1.991 -0.421 1.00 0.00 C ATOM 0 H VAL A 49 1.308 2.885 1.202 1.00 0.00 H new ATOM 0 HA VAL A 49 0.018 0.400 1.850 1.00 0.00 H new ATOM 0 HB VAL A 49 1.383 1.190 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.241 -0.353 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.805 -1.169 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.867 -0.741 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.811 2.033 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.461 1.753 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.175 2.958 -0.101 1.00 0.00 H new ATOM 399 N ILE A 50 3.263 0.521 1.229 1.00 0.00 N ATOM 400 CA ILE A 50 4.501 -0.238 1.355 1.00 0.00 C ATOM 401 C ILE A 50 4.694 -0.736 2.783 1.00 0.00 C ATOM 402 O ILE A 50 5.192 -1.834 3.002 1.00 0.00 O ATOM 403 CB ILE A 50 5.724 0.610 0.941 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.990 -0.249 0.935 1.00 0.00 C ATOM 405 CG2 ILE A 50 5.892 1.803 1.873 1.00 0.00 C ATOM 406 CD1 ILE A 50 8.037 0.220 -0.047 1.00 0.00 C ATOM 0 H ILE A 50 3.386 1.495 0.952 1.00 0.00 H new ATOM 0 HA ILE A 50 4.422 -1.094 0.685 1.00 0.00 H new ATOM 0 HB ILE A 50 5.556 0.987 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.420 -0.254 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.719 -1.278 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.759 2.387 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.000 2.427 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.038 1.450 2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.905 -0.437 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.625 0.198 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.337 1.238 0.200 1.00 0.00 H new ATOM 418 N ASN A 51 4.294 0.087 3.749 1.00 0.00 N ATOM 419 CA ASN A 51 4.421 -0.269 5.156 1.00 0.00 C ATOM 420 C ASN A 51 3.399 -1.337 5.530 1.00 0.00 C ATOM 421 O ASN A 51 3.745 -2.363 6.113 1.00 0.00 O ATOM 422 CB ASN A 51 4.233 0.965 6.040 1.00 0.00 C ATOM 423 CG ASN A 51 5.163 0.961 7.236 1.00 0.00 C ATOM 424 OD1 ASN A 51 5.271 -0.027 7.956 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.846 2.080 7.451 1.00 0.00 N ATOM 0 H ASN A 51 3.880 1.004 3.581 1.00 0.00 H new ATOM 0 HA ASN A 51 5.422 -0.668 5.318 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.409 1.863 5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.200 1.008 6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.490 2.141 8.239 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.726 2.878 6.828 1.00 0.00 H new ATOM 432 N ASN A 52 2.139 -1.089 5.186 1.00 0.00 N ATOM 433 CA ASN A 52 1.068 -2.031 5.483 1.00 0.00 C ATOM 434 C ASN A 52 1.246 -3.318 4.685 1.00 0.00 C ATOM 435 O ASN A 52 1.210 -4.415 5.241 1.00 0.00 O ATOM 436 CB ASN A 52 -0.294 -1.403 5.171 1.00 0.00 C ATOM 437 CG ASN A 52 -1.021 -0.950 6.423 1.00 0.00 C ATOM 438 OD1 ASN A 52 -1.537 -1.771 7.180 1.00 0.00 O ATOM 439 ND2 ASN A 52 -1.056 0.355 6.638 1.00 0.00 N ATOM 0 H ASN A 52 1.836 -0.244 4.702 1.00 0.00 H new ATOM 0 HA ASN A 52 1.110 -2.273 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.154 -0.550 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.911 -2.126 4.637 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.527 0.723 7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.612 0.993 5.978 1.00 0.00 H new ATOM 446 N ALA A 53 1.445 -3.175 3.378 1.00 0.00 N ATOM 447 CA ALA A 53 1.633 -4.325 2.501 1.00 0.00 C ATOM 448 C ALA A 53 2.806 -5.185 2.966 1.00 0.00 C ATOM 449 O ALA A 53 2.831 -6.394 2.736 1.00 0.00 O ATOM 450 CB ALA A 53 1.848 -3.864 1.066 1.00 0.00 C ATOM 0 H ALA A 53 1.480 -2.273 2.903 1.00 0.00 H new ATOM 0 HA ALA A 53 0.731 -4.935 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.987 -4.732 0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.978 -3.299 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.733 -3.230 1.016 1.00 0.00 H new ATOM 456 N LYS A 54 3.774 -4.554 3.625 1.00 0.00 N ATOM 457 CA LYS A 54 4.945 -5.264 4.126 1.00 0.00 C ATOM 458 C LYS A 54 4.614 -6.018 5.409 1.00 0.00 C ATOM 459 O LYS A 54 4.804 -7.231 5.497 1.00 0.00 O ATOM 460 CB LYS A 54 6.095 -4.284 4.378 1.00 0.00 C ATOM 461 CG LYS A 54 7.041 -4.139 3.197 1.00 0.00 C ATOM 462 CD LYS A 54 8.365 -3.522 3.619 1.00 0.00 C ATOM 463 CE LYS A 54 8.205 -2.059 3.977 1.00 0.00 C ATOM 464 NZ LYS A 54 7.927 -1.862 5.426 1.00 0.00 N ATOM 0 H LYS A 54 3.770 -3.554 3.824 1.00 0.00 H new ATOM 0 HA LYS A 54 5.253 -5.986 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.681 -3.306 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.661 -4.617 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.220 -5.117 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.576 -3.518 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.765 -4.066 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.089 -3.623 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.112 -1.519 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.392 -1.630 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.124 -0.875 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.929 -2.079 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.534 -2.495 5.985 1.00 0.00 H new ATOM 478 N LYS A 55 4.115 -5.288 6.405 1.00 0.00 N ATOM 479 CA LYS A 55 3.753 -5.887 7.686 1.00 0.00 C ATOM 480 C LYS A 55 2.752 -7.021 7.490 1.00 0.00 C ATOM 481 O LYS A 55 2.795 -8.030 8.194 1.00 0.00 O ATOM 482 CB LYS A 55 3.165 -4.827 8.620 1.00 0.00 C ATOM 483 CG LYS A 55 3.139 -5.250 10.079 1.00 0.00 C ATOM 484 CD LYS A 55 2.504 -4.183 10.957 1.00 0.00 C ATOM 485 CE LYS A 55 3.419 -2.981 11.123 1.00 0.00 C ATOM 486 NZ LYS A 55 4.591 -3.290 11.989 1.00 0.00 N ATOM 0 H LYS A 55 3.953 -4.283 6.349 1.00 0.00 H new ATOM 0 HA LYS A 55 4.657 -6.297 8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.746 -3.910 8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.149 -4.595 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.584 -6.183 10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.155 -5.446 10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.559 -3.864 10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.275 -4.605 11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.768 -2.652 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.856 -2.154 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.067 -2.405 12.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.269 -3.784 12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.256 -3.897 11.469 1.00 0.00 H new ATOM 500 N ASN A 56 1.854 -6.849 6.525 1.00 0.00 N ATOM 501 CA ASN A 56 0.846 -7.860 6.234 1.00 0.00 C ATOM 502 C ASN A 56 1.484 -9.090 5.596 1.00 0.00 C ATOM 503 O ASN A 56 1.150 -10.223 5.940 1.00 0.00 O ATOM 504 CB ASN A 56 -0.229 -7.288 5.308 1.00 0.00 C ATOM 505 CG ASN A 56 -0.888 -6.052 5.885 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.058 -5.933 7.099 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.265 -5.122 5.015 1.00 0.00 N ATOM 0 H ASN A 56 1.804 -6.020 5.933 1.00 0.00 H new ATOM 0 HA ASN A 56 0.381 -8.158 7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.218 -7.042 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.988 -8.048 5.123 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.715 -4.268 5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.105 -5.262 4.017 1.00 0.00 H new ATOM 514 N LEU A 57 2.407 -8.858 4.665 1.00 0.00 N ATOM 515 CA LEU A 57 3.097 -9.948 3.982 1.00 0.00 C ATOM 516 C LEU A 57 3.690 -10.929 4.987 1.00 0.00 C ATOM 517 O LEU A 57 3.324 -12.106 5.019 1.00 0.00 O ATOM 518 CB LEU A 57 4.206 -9.394 3.084 1.00 0.00 C ATOM 519 CG LEU A 57 3.740 -8.869 1.726 1.00 0.00 C ATOM 520 CD1 LEU A 57 4.669 -7.769 1.232 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.666 -10.004 0.714 1.00 0.00 C ATOM 0 H LEU A 57 2.694 -7.926 4.367 1.00 0.00 H new ATOM 0 HA LEU A 57 2.368 -10.477 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.712 -8.587 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.944 -10.179 2.919 1.00 0.00 H new ATOM 0 HG LEU A 57 2.742 -8.447 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.322 -7.407 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.672 -6.946 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.680 -8.165 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.333 -9.613 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.652 -10.455 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.960 -10.758 1.064 1.00 0.00 H new ATOM 533 N GLU A 58 4.606 -10.433 5.812 1.00 0.00 N ATOM 534 CA GLU A 58 5.247 -11.262 6.824 1.00 0.00 C ATOM 535 C GLU A 58 4.208 -11.870 7.760 1.00 0.00 C ATOM 536 O GLU A 58 4.420 -12.943 8.324 1.00 0.00 O ATOM 537 CB GLU A 58 6.256 -10.436 7.626 1.00 0.00 C ATOM 538 CG GLU A 58 5.635 -9.246 8.341 1.00 0.00 C ATOM 539 CD GLU A 58 6.297 -8.955 9.673 1.00 0.00 C ATOM 540 OE1 GLU A 58 7.442 -9.408 9.879 1.00 0.00 O ATOM 541 OE2 GLU A 58 5.670 -8.273 10.510 1.00 0.00 O ATOM 0 H GLU A 58 4.920 -9.463 5.799 1.00 0.00 H new ATOM 0 HA GLU A 58 5.774 -12.071 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.738 -11.080 8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.037 -10.079 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.708 -8.365 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.574 -9.436 8.501 1.00 0.00 H new ATOM 548 N LYS A 59 3.083 -11.179 7.917 1.00 0.00 N ATOM 549 CA LYS A 59 2.010 -11.657 8.779 1.00 0.00 C ATOM 550 C LYS A 59 1.512 -13.020 8.310 1.00 0.00 C ATOM 551 O LYS A 59 1.145 -13.871 9.120 1.00 0.00 O ATOM 552 CB LYS A 59 0.855 -10.651 8.800 1.00 0.00 C ATOM 553 CG LYS A 59 0.576 -10.077 10.179 1.00 0.00 C ATOM 554 CD LYS A 59 -0.677 -9.216 10.181 1.00 0.00 C ATOM 555 CE LYS A 59 -0.762 -8.359 11.433 1.00 0.00 C ATOM 556 NZ LYS A 59 -1.322 -9.115 12.586 1.00 0.00 N ATOM 0 H LYS A 59 2.892 -10.288 7.459 1.00 0.00 H new ATOM 0 HA LYS A 59 2.403 -11.761 9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.082 -9.835 8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.047 -11.137 8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.461 -10.890 10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.428 -9.481 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.681 -8.575 9.299 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.558 -9.854 10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.231 -7.990 11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.384 -7.487 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.363 -8.495 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.280 -9.445 12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.714 -9.933 12.793 1.00 0.00 H new ATOM 570 N TYR A 60 1.513 -13.224 6.995 1.00 0.00 N ATOM 571 CA TYR A 60 1.072 -14.489 6.420 1.00 0.00 C ATOM 572 C TYR A 60 2.179 -15.531 6.509 1.00 0.00 C ATOM 573 O TYR A 60 1.915 -16.717 6.697 1.00 0.00 O ATOM 574 CB TYR A 60 0.660 -14.307 4.957 1.00 0.00 C ATOM 575 CG TYR A 60 -0.080 -13.020 4.676 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.363 -12.808 5.164 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.505 -12.018 3.912 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.042 -11.634 4.899 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.166 -10.841 3.644 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.439 -10.654 4.140 1.00 0.00 C ATOM 581 OH TYR A 60 -2.113 -9.484 3.873 1.00 0.00 O ATOM 0 H TYR A 60 1.814 -12.531 6.310 1.00 0.00 H new ATOM 0 HA TYR A 60 0.209 -14.832 6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.553 -14.343 4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.031 -15.146 4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.838 -13.573 5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.501 -12.162 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.040 -11.485 5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.304 -10.071 3.049 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.076 -9.661 3.844 1.00 0.00 H new ATOM 591 N PHE A 61 3.421 -15.078 6.372 1.00 0.00 N ATOM 592 CA PHE A 61 4.570 -15.975 6.436 1.00 0.00 C ATOM 593 C PHE A 61 4.789 -16.483 7.858 1.00 0.00 C ATOM 594 O PHE A 61 5.317 -17.573 8.065 1.00 0.00 O ATOM 595 CB PHE A 61 5.828 -15.260 5.938 1.00 0.00 C ATOM 596 CG PHE A 61 6.716 -16.128 5.092 1.00 0.00 C ATOM 597 CD1 PHE A 61 7.259 -17.296 5.606 1.00 0.00 C ATOM 598 CD2 PHE A 61 7.006 -15.776 3.784 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.077 -18.095 4.829 1.00 0.00 C ATOM 600 CE2 PHE A 61 7.823 -16.572 3.003 1.00 0.00 C ATOM 601 CZ PHE A 61 8.358 -17.733 3.526 1.00 0.00 C ATOM 0 H PHE A 61 3.658 -14.098 6.216 1.00 0.00 H new ATOM 0 HA PHE A 61 4.366 -16.831 5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.534 -14.384 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.396 -14.901 6.796 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.041 -17.584 6.624 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.589 -14.870 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.496 -19.001 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.043 -16.286 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.995 -18.357 2.917 1.00 0.00 H new ATOM 611 N LYS A 62 4.386 -15.683 8.837 1.00 0.00 N ATOM 612 CA LYS A 62 4.543 -16.058 10.237 1.00 0.00 C ATOM 613 C LYS A 62 3.346 -16.860 10.736 1.00 0.00 C ATOM 614 O LYS A 62 3.483 -17.722 11.604 1.00 0.00 O ATOM 615 CB LYS A 62 4.734 -14.810 11.102 1.00 0.00 C ATOM 616 CG LYS A 62 5.711 -15.008 12.250 1.00 0.00 C ATOM 617 CD LYS A 62 6.514 -13.746 12.522 1.00 0.00 C ATOM 618 CE LYS A 62 7.504 -13.947 13.659 1.00 0.00 C ATOM 619 NZ LYS A 62 7.391 -12.879 14.690 1.00 0.00 N ATOM 0 H LYS A 62 3.949 -14.773 8.689 1.00 0.00 H new ATOM 0 HA LYS A 62 5.429 -16.689 10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.087 -13.993 10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.768 -14.507 11.506 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.165 -15.294 13.149 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.389 -15.828 12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.050 -13.454 11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.836 -12.929 12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.332 -14.918 14.122 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.518 -13.960 13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.083 -13.053 15.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.580 -11.954 14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.431 -12.883 15.090 1.00 0.00 H new ATOM 633 N GLU A 63 2.168 -16.560 10.196 1.00 0.00 N ATOM 634 CA GLU A 63 0.945 -17.244 10.604 1.00 0.00 C ATOM 635 C GLU A 63 0.577 -18.375 9.646 1.00 0.00 C ATOM 636 O GLU A 63 0.326 -19.501 10.074 1.00 0.00 O ATOM 637 CB GLU A 63 -0.209 -16.243 10.695 1.00 0.00 C ATOM 638 CG GLU A 63 -1.021 -16.368 11.975 1.00 0.00 C ATOM 639 CD GLU A 63 -1.435 -15.023 12.536 1.00 0.00 C ATOM 640 OE1 GLU A 63 -0.542 -14.186 12.793 1.00 0.00 O ATOM 641 OE2 GLU A 63 -2.650 -14.804 12.722 1.00 0.00 O ATOM 0 H GLU A 63 2.035 -15.849 9.476 1.00 0.00 H new ATOM 0 HA GLU A 63 1.127 -17.686 11.584 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.191 -15.232 10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.870 -16.384 9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.911 -16.965 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.435 -16.904 12.722 1.00 0.00 H new ATOM 648 N HIS A 64 0.527 -18.068 8.354 1.00 0.00 N ATOM 649 CA HIS A 64 0.166 -19.067 7.350 1.00 0.00 C ATOM 650 C HIS A 64 1.379 -19.570 6.573 1.00 0.00 C ATOM 651 O HIS A 64 1.237 -20.282 5.580 1.00 0.00 O ATOM 652 CB HIS A 64 -0.873 -18.497 6.383 1.00 0.00 C ATOM 653 CG HIS A 64 -2.285 -18.655 6.861 1.00 0.00 C ATOM 654 ND1 HIS A 64 -3.087 -17.587 7.202 1.00 0.00 N ATOM 655 CD2 HIS A 64 -3.036 -19.764 7.053 1.00 0.00 C ATOM 656 CE1 HIS A 64 -4.271 -18.033 7.584 1.00 0.00 C ATOM 657 NE2 HIS A 64 -4.267 -19.350 7.502 1.00 0.00 N ATOM 0 H HIS A 64 0.730 -17.142 7.977 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.259 -19.918 7.882 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.668 -17.438 6.224 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.768 -18.990 5.417 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.726 -20.785 6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.101 -17.423 7.908 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.050 -19.961 7.734 1.00 0.00 H new ATOM 666 N PHE A 65 2.569 -19.202 7.031 1.00 0.00 N ATOM 667 CA PHE A 65 3.808 -19.623 6.380 1.00 0.00 C ATOM 668 C PHE A 65 3.725 -19.460 4.861 1.00 0.00 C ATOM 669 O PHE A 65 2.847 -18.765 4.350 1.00 0.00 O ATOM 670 CB PHE A 65 4.123 -21.077 6.740 1.00 0.00 C ATOM 671 CG PHE A 65 5.515 -21.281 7.275 1.00 0.00 C ATOM 672 CD1 PHE A 65 6.576 -20.525 6.799 1.00 0.00 C ATOM 673 CD2 PHE A 65 5.760 -22.231 8.254 1.00 0.00 C ATOM 674 CE1 PHE A 65 7.854 -20.713 7.291 1.00 0.00 C ATOM 675 CE2 PHE A 65 7.036 -22.424 8.748 1.00 0.00 C ATOM 676 CZ PHE A 65 8.084 -21.664 8.267 1.00 0.00 C ATOM 0 H PHE A 65 2.705 -18.612 7.852 1.00 0.00 H new ATOM 0 HA PHE A 65 4.612 -18.982 6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.404 -21.422 7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.989 -21.698 5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.402 -19.781 6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.944 -22.827 8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.672 -20.117 6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.214 -23.169 9.510 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.082 -21.813 8.653 1.00 0.00 H new ATOM 686 N LYS A 66 4.645 -20.103 4.146 1.00 0.00 N ATOM 687 CA LYS A 66 4.673 -20.026 2.689 1.00 0.00 C ATOM 688 C LYS A 66 3.388 -20.582 2.084 1.00 0.00 C ATOM 689 O LYS A 66 3.161 -21.793 2.093 1.00 0.00 O ATOM 690 CB LYS A 66 5.880 -20.789 2.138 1.00 0.00 C ATOM 691 CG LYS A 66 6.404 -20.231 0.824 1.00 0.00 C ATOM 692 CD LYS A 66 6.756 -21.340 -0.155 1.00 0.00 C ATOM 693 CE LYS A 66 6.652 -20.865 -1.596 1.00 0.00 C ATOM 694 NZ LYS A 66 6.080 -21.913 -2.486 1.00 0.00 N ATOM 0 H LYS A 66 5.380 -20.682 4.552 1.00 0.00 H new ATOM 0 HA LYS A 66 4.757 -18.975 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.681 -20.768 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.605 -21.834 1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.653 -19.578 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.286 -19.619 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.769 -21.692 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.089 -22.188 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.029 -19.972 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.641 -20.582 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.026 -21.550 -3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.688 -22.756 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.126 -22.165 -2.157 1.00 0.00 H new ATOM 708 N GLU A 67 2.553 -19.691 1.559 1.00 0.00 N ATOM 709 CA GLU A 67 1.289 -20.089 0.946 1.00 0.00 C ATOM 710 C GLU A 67 0.531 -18.871 0.427 1.00 0.00 C ATOM 711 O GLU A 67 -0.091 -18.919 -0.634 1.00 0.00 O ATOM 712 CB GLU A 67 0.422 -20.848 1.955 1.00 0.00 C ATOM 713 CG GLU A 67 -0.914 -21.303 1.391 1.00 0.00 C ATOM 714 CD GLU A 67 -1.448 -22.540 2.085 1.00 0.00 C ATOM 715 OE1 GLU A 67 -0.629 -23.356 2.557 1.00 0.00 O ATOM 716 OE2 GLU A 67 -2.686 -22.694 2.156 1.00 0.00 O ATOM 0 H GLU A 67 2.729 -18.686 1.545 1.00 0.00 H new ATOM 0 HA GLU A 67 1.514 -20.745 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.972 -21.719 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.243 -20.209 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.639 -20.495 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.804 -21.507 0.326 1.00 0.00 H new ATOM 723 N PHE A 68 0.588 -17.782 1.186 1.00 0.00 N ATOM 724 CA PHE A 68 -0.092 -16.546 0.810 1.00 0.00 C ATOM 725 C PHE A 68 0.357 -16.068 -0.568 1.00 0.00 C ATOM 726 O PHE A 68 1.443 -16.409 -1.033 1.00 0.00 O ATOM 727 CB PHE A 68 0.175 -15.459 1.854 1.00 0.00 C ATOM 728 CG PHE A 68 1.612 -15.020 1.914 1.00 0.00 C ATOM 729 CD1 PHE A 68 2.552 -15.772 2.602 1.00 0.00 C ATOM 730 CD2 PHE A 68 2.022 -13.858 1.282 1.00 0.00 C ATOM 731 CE1 PHE A 68 3.873 -15.371 2.657 1.00 0.00 C ATOM 732 CE2 PHE A 68 3.342 -13.452 1.333 1.00 0.00 C ATOM 733 CZ PHE A 68 4.268 -14.210 2.021 1.00 0.00 C ATOM 0 H PHE A 68 1.099 -17.729 2.067 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.162 -16.748 0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.451 -14.594 1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.124 -15.828 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.248 -16.681 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.301 -13.262 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.596 -15.965 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.648 -12.544 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.300 -13.896 2.062 1.00 0.00 H new ATOM 743 N ASP A 69 -0.491 -15.272 -1.213 1.00 0.00 N ATOM 744 CA ASP A 69 -0.188 -14.741 -2.536 1.00 0.00 C ATOM 745 C ASP A 69 0.729 -13.521 -2.431 1.00 0.00 C ATOM 746 O ASP A 69 1.481 -13.387 -1.466 1.00 0.00 O ATOM 747 CB ASP A 69 -1.485 -14.378 -3.263 1.00 0.00 C ATOM 748 CG ASP A 69 -1.478 -14.818 -4.714 1.00 0.00 C ATOM 749 OD1 ASP A 69 -1.475 -16.043 -4.963 1.00 0.00 O ATOM 750 OD2 ASP A 69 -1.474 -13.939 -5.601 1.00 0.00 O ATOM 0 H ASP A 69 -1.394 -14.981 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 69 0.333 -15.508 -3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.328 -14.841 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.636 -13.300 -3.214 1.00 0.00 H new ATOM 755 N LYS A 70 0.671 -12.635 -3.425 1.00 0.00 N ATOM 756 CA LYS A 70 1.507 -11.439 -3.424 1.00 0.00 C ATOM 757 C LYS A 70 0.655 -10.178 -3.523 1.00 0.00 C ATOM 758 O LYS A 70 -0.430 -10.197 -4.099 1.00 0.00 O ATOM 759 CB LYS A 70 2.501 -11.490 -4.586 1.00 0.00 C ATOM 760 CG LYS A 70 3.637 -10.487 -4.462 1.00 0.00 C ATOM 761 CD LYS A 70 4.156 -10.061 -5.825 1.00 0.00 C ATOM 762 CE LYS A 70 5.674 -9.976 -5.846 1.00 0.00 C ATOM 763 NZ LYS A 70 6.152 -8.680 -6.401 1.00 0.00 N ATOM 0 H LYS A 70 0.058 -12.723 -4.235 1.00 0.00 H new ATOM 0 HA LYS A 70 2.057 -11.409 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.920 -12.494 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.967 -11.307 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.292 -9.611 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.450 -10.926 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.821 -10.771 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.733 -9.092 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.058 -10.101 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.075 -10.796 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.192 -8.663 -6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.807 -8.572 -7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.791 -7.898 -5.818 1.00 0.00 H new ATOM 777 N ILE A 71 1.149 -9.082 -2.959 1.00 0.00 N ATOM 778 CA ILE A 71 0.417 -7.822 -2.996 1.00 0.00 C ATOM 779 C ILE A 71 1.189 -6.757 -3.753 1.00 0.00 C ATOM 780 O ILE A 71 2.417 -6.696 -3.696 1.00 0.00 O ATOM 781 CB ILE A 71 0.090 -7.304 -1.586 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.375 -8.460 -0.710 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.983 -6.227 -1.658 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.652 -8.064 0.724 1.00 0.00 C ATOM 0 H ILE A 71 2.046 -9.040 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.519 -8.026 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 71 0.987 -6.867 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.280 -8.889 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.385 -9.241 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.206 -5.868 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.626 -5.398 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.887 -6.643 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.979 -8.939 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.257 -7.663 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.434 -7.305 0.747 1.00 0.00 H new ATOM 796 N SER A 72 0.452 -5.925 -4.471 1.00 0.00 N ATOM 797 CA SER A 72 1.051 -4.858 -5.260 1.00 0.00 C ATOM 798 C SER A 72 0.249 -3.565 -5.140 1.00 0.00 C ATOM 799 O SER A 72 -0.866 -3.557 -4.620 1.00 0.00 O ATOM 800 CB SER A 72 1.138 -5.286 -6.724 1.00 0.00 C ATOM 801 OG SER A 72 2.177 -4.596 -7.397 1.00 0.00 O ATOM 0 H SER A 72 -0.566 -5.968 -4.524 1.00 0.00 H new ATOM 0 HA SER A 72 2.053 -4.669 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.314 -6.360 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.187 -5.091 -7.220 1.00 0.00 H new ATOM 0 HG SER A 72 2.213 -4.889 -8.331 1.00 0.00 H new ATOM 807 N TYR A 73 0.828 -2.474 -5.628 1.00 0.00 N ATOM 808 CA TYR A 73 0.167 -1.177 -5.578 1.00 0.00 C ATOM 809 C TYR A 73 0.773 -0.222 -6.595 1.00 0.00 C ATOM 810 O TYR A 73 1.936 -0.361 -6.977 1.00 0.00 O ATOM 811 CB TYR A 73 0.257 -0.591 -4.168 1.00 0.00 C ATOM 812 CG TYR A 73 1.649 -0.157 -3.765 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.692 -1.071 -3.700 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.916 1.170 -3.448 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.964 -0.677 -3.330 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.181 1.567 -3.077 1.00 0.00 C ATOM 817 CZ TYR A 73 4.205 0.648 -3.023 1.00 0.00 C ATOM 818 OH TYR A 73 5.469 1.046 -2.656 1.00 0.00 O ATOM 0 H TYR A 73 1.751 -2.462 -6.061 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.884 -1.316 -5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.413 0.266 -4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.101 -1.333 -3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.506 -2.107 -3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.121 1.899 -3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.764 -1.400 -3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.370 2.601 -2.828 1.00 0.00 H new ATOM 0 HH TYR A 73 5.469 2.009 -2.474 1.00 0.00 H new ATOM 828 N ASP A 74 -0.021 0.748 -7.035 1.00 0.00 N ATOM 829 CA ASP A 74 0.446 1.723 -8.013 1.00 0.00 C ATOM 830 C ASP A 74 -0.254 3.067 -7.830 1.00 0.00 C ATOM 831 O ASP A 74 -1.313 3.151 -7.211 1.00 0.00 O ATOM 832 CB ASP A 74 0.215 1.204 -9.435 1.00 0.00 C ATOM 833 CG ASP A 74 1.260 1.709 -10.411 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.394 1.184 -10.392 1.00 0.00 O ATOM 835 OD2 ASP A 74 0.950 2.636 -11.194 1.00 0.00 O ATOM 0 H ASP A 74 -0.986 0.880 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 74 1.514 1.869 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.225 0.114 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.774 1.511 -9.775 1.00 0.00 H new ATOM 840 N ILE A 75 0.348 4.116 -8.374 1.00 0.00 N ATOM 841 CA ILE A 75 -0.209 5.463 -8.276 1.00 0.00 C ATOM 842 C ILE A 75 -0.626 5.982 -9.648 1.00 0.00 C ATOM 843 O ILE A 75 0.104 5.834 -10.629 1.00 0.00 O ATOM 844 CB ILE A 75 0.799 6.444 -7.644 1.00 0.00 C ATOM 845 CG1 ILE A 75 0.194 7.849 -7.544 1.00 0.00 C ATOM 846 CG2 ILE A 75 2.092 6.477 -8.451 1.00 0.00 C ATOM 847 CD1 ILE A 75 0.971 8.779 -6.636 1.00 0.00 C ATOM 0 H ILE A 75 1.226 4.062 -8.890 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.087 5.400 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 75 1.030 6.096 -6.637 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.144 8.286 -8.541 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.830 7.770 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.791 7.175 -7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.534 5.481 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.877 6.799 -9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.486 9.755 -6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.999 8.364 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.988 8.889 -7.012 1.00 0.00 H new ATOM 859 N SER A 76 -1.803 6.599 -9.709 1.00 0.00 N ATOM 860 CA SER A 76 -2.315 7.146 -10.960 1.00 0.00 C ATOM 861 C SER A 76 -2.188 8.673 -10.979 1.00 0.00 C ATOM 862 O SER A 76 -3.134 9.387 -10.649 1.00 0.00 O ATOM 863 CB SER A 76 -3.776 6.736 -11.161 1.00 0.00 C ATOM 864 OG SER A 76 -3.964 5.368 -10.868 1.00 0.00 O ATOM 0 H SER A 76 -2.419 6.732 -8.907 1.00 0.00 H new ATOM 0 HA SER A 76 -1.719 6.741 -11.778 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.418 7.340 -10.520 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.075 6.935 -12.190 1.00 0.00 H new ATOM 0 HG SER A 76 -4.905 5.208 -10.645 1.00 0.00 H new ATOM 870 N THR A 77 -1.014 9.154 -11.365 1.00 0.00 N ATOM 871 CA THR A 77 -0.761 10.586 -11.424 1.00 0.00 C ATOM 872 C THR A 77 -1.748 11.291 -12.358 1.00 0.00 C ATOM 873 O THR A 77 -2.517 12.146 -11.923 1.00 0.00 O ATOM 874 CB THR A 77 0.674 10.851 -11.888 1.00 0.00 C ATOM 875 OG1 THR A 77 1.223 9.701 -12.507 1.00 0.00 O ATOM 876 CG2 THR A 77 1.602 11.253 -10.762 1.00 0.00 C ATOM 0 H THR A 77 -0.222 8.573 -11.642 1.00 0.00 H new ATOM 0 HA THR A 77 -0.897 10.989 -10.420 1.00 0.00 H new ATOM 0 HB THR A 77 0.601 11.680 -12.592 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.139 9.892 -12.798 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.602 11.426 -11.159 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.234 12.167 -10.296 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.639 10.456 -10.019 1.00 0.00 H new ATOM 884 N PRO A 78 -1.744 10.934 -13.656 1.00 0.00 N ATOM 885 CA PRO A 78 -2.645 11.540 -14.642 1.00 0.00 C ATOM 886 C PRO A 78 -4.108 11.450 -14.220 1.00 0.00 C ATOM 887 O PRO A 78 -4.935 12.247 -14.642 1.00 0.00 O ATOM 888 CB PRO A 78 -2.405 10.717 -15.919 1.00 0.00 C ATOM 889 CG PRO A 78 -1.650 9.505 -15.480 1.00 0.00 C ATOM 890 CD PRO A 78 -0.871 9.921 -14.268 1.00 0.00 C ATOM 0 HA PRO A 78 -2.446 12.604 -14.767 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.348 10.442 -16.391 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.836 11.289 -16.653 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.329 8.686 -15.245 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.986 9.152 -16.269 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.690 9.083 -13.595 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.103 10.333 -14.534 1.00 0.00 H new ATOM 898 N ILE A 79 -4.419 10.471 -13.375 1.00 0.00 N ATOM 899 CA ILE A 79 -5.785 10.278 -12.895 1.00 0.00 C ATOM 900 C ILE A 79 -6.025 11.028 -11.587 1.00 0.00 C ATOM 901 O ILE A 79 -7.167 11.231 -11.177 1.00 0.00 O ATOM 902 CB ILE A 79 -6.103 8.786 -12.681 1.00 0.00 C ATOM 903 CG1 ILE A 79 -5.689 7.968 -13.907 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.584 8.597 -12.391 1.00 0.00 C ATOM 905 CD1 ILE A 79 -6.374 8.404 -15.175 1.00 0.00 C ATOM 0 H ILE A 79 -3.745 9.799 -13.008 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.445 10.677 -13.665 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.533 8.431 -11.822 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.610 8.047 -14.040 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.912 6.917 -13.725 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.793 7.538 -12.242 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.852 9.150 -11.491 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.170 8.968 -13.232 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.035 7.783 -16.004 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.453 8.299 -15.060 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.131 9.447 -15.380 1.00 0.00 H new ATOM 917 N ASN A 80 -4.941 11.442 -10.932 1.00 0.00 N ATOM 918 CA ASN A 80 -5.039 12.168 -9.670 1.00 0.00 C ATOM 919 C ASN A 80 -5.645 11.299 -8.579 1.00 0.00 C ATOM 920 O ASN A 80 -6.166 11.801 -7.585 1.00 0.00 O ATOM 921 CB ASN A 80 -5.871 13.441 -9.852 1.00 0.00 C ATOM 922 CG ASN A 80 -5.791 14.362 -8.650 1.00 0.00 C ATOM 923 OD1 ASN A 80 -6.697 14.394 -7.815 1.00 0.00 O ATOM 924 ND2 ASN A 80 -4.699 15.114 -8.560 1.00 0.00 N ATOM 0 H ASN A 80 -3.986 11.286 -11.255 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.030 12.442 -9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.525 13.974 -10.738 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.912 13.169 -10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.584 15.754 -7.774 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.976 15.052 -9.277 1.00 0.00 H new ATOM 931 N PHE A 81 -5.576 9.982 -8.767 1.00 0.00 N ATOM 932 CA PHE A 81 -6.122 9.034 -7.794 1.00 0.00 C ATOM 933 C PHE A 81 -5.158 7.875 -7.572 1.00 0.00 C ATOM 934 O PHE A 81 -4.191 7.708 -8.315 1.00 0.00 O ATOM 935 CB PHE A 81 -7.476 8.510 -8.268 1.00 0.00 C ATOM 936 CG PHE A 81 -8.636 9.294 -7.743 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.829 10.619 -8.107 1.00 0.00 C ATOM 938 CD2 PHE A 81 -9.551 8.700 -6.876 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.901 11.339 -7.622 1.00 0.00 C ATOM 940 CE2 PHE A 81 -10.623 9.420 -6.390 1.00 0.00 C ATOM 941 CZ PHE A 81 -10.800 10.735 -6.762 1.00 0.00 C ATOM 0 H PHE A 81 -5.148 9.546 -9.584 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.258 9.555 -6.846 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.501 8.525 -9.358 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.582 7.470 -7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.130 11.093 -8.780 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.420 7.669 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.038 12.370 -7.913 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -11.325 8.952 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.642 11.295 -6.382 1.00 0.00 H new ATOM 951 N LEU A 82 -5.429 7.075 -6.547 1.00 0.00 N ATOM 952 CA LEU A 82 -4.586 5.928 -6.234 1.00 0.00 C ATOM 953 C LEU A 82 -5.253 4.629 -6.659 1.00 0.00 C ATOM 954 O LEU A 82 -6.458 4.440 -6.465 1.00 0.00 O ATOM 955 CB LEU A 82 -4.279 5.890 -4.737 1.00 0.00 C ATOM 956 CG LEU A 82 -3.037 6.676 -4.311 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.813 6.184 -5.068 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.240 8.172 -4.540 1.00 0.00 C ATOM 0 H LEU A 82 -6.224 7.199 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.653 6.033 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.141 6.280 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.155 4.851 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.876 6.512 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.938 6.753 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.654 5.127 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.969 6.319 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.345 8.712 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.427 8.356 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.093 8.517 -3.955 1.00 0.00 H new ATOM 970 N CYS A 83 -4.470 3.724 -7.238 1.00 0.00 N ATOM 971 CA CYS A 83 -4.985 2.445 -7.693 1.00 0.00 C ATOM 972 C CYS A 83 -4.204 1.281 -7.082 1.00 0.00 C ATOM 973 O CYS A 83 -3.161 0.885 -7.609 1.00 0.00 O ATOM 974 CB CYS A 83 -4.937 2.357 -9.219 1.00 0.00 C ATOM 975 SG CYS A 83 -6.334 3.153 -10.048 1.00 0.00 S ATOM 0 H CYS A 83 -3.472 3.858 -7.402 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.022 2.373 -7.364 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.012 2.814 -9.570 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.905 1.307 -9.511 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.203 3.028 -11.335 1.00 0.00 H new ATOM 981 N ILE A 84 -4.706 0.755 -5.978 1.00 0.00 N ATOM 982 CA ILE A 84 -4.058 -0.362 -5.303 1.00 0.00 C ATOM 983 C ILE A 84 -4.457 -1.681 -5.958 1.00 0.00 C ATOM 984 O ILE A 84 -5.635 -1.921 -6.219 1.00 0.00 O ATOM 985 CB ILE A 84 -4.419 -0.395 -3.799 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.667 0.709 -3.051 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.129 -1.766 -3.190 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.302 0.288 -2.561 1.00 0.00 C ATOM 0 H ILE A 84 -5.561 1.082 -5.528 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.980 -0.225 -5.394 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.489 -0.214 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.557 1.572 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.266 1.032 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.393 -1.758 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.718 -2.525 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.069 -1.995 -3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.829 1.121 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.405 -0.555 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.685 -0.006 -3.410 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.471 -2.532 -6.220 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.724 -3.823 -6.847 1.00 0.00 C ATOM 1002 C PHE A 85 -3.067 -4.946 -6.053 1.00 0.00 C ATOM 1003 O PHE A 85 -1.860 -5.163 -6.153 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.206 -3.828 -8.285 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.183 -3.263 -9.277 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.495 -3.711 -9.308 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -3.791 -2.287 -10.178 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.397 -3.193 -10.219 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -4.687 -1.766 -11.092 1.00 0.00 C ATOM 1010 CZ PHE A 85 -5.992 -2.221 -11.112 1.00 0.00 C ATOM 0 H PHE A 85 -2.490 -2.351 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.801 -3.989 -6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.281 -3.254 -8.331 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.961 -4.851 -8.571 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.816 -4.473 -8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.772 -1.929 -10.166 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.417 -3.548 -10.232 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.368 -1.005 -11.789 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.694 -1.816 -11.826 1.00 0.00 H new ATOM 1020 N ILE A 86 -3.868 -5.650 -5.260 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.367 -6.750 -4.443 1.00 0.00 C ATOM 1022 C ILE A 86 -3.746 -8.109 -5.047 1.00 0.00 C ATOM 1023 O ILE A 86 -4.862 -8.592 -4.851 1.00 0.00 O ATOM 1024 CB ILE A 86 -3.910 -6.657 -2.997 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.594 -7.934 -2.213 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.407 -6.390 -3.002 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -3.737 -7.777 -0.714 1.00 0.00 C ATOM 0 H ILE A 86 -4.869 -5.478 -5.166 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.280 -6.668 -4.421 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.414 -5.822 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.256 -8.731 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.575 -8.248 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.769 -6.328 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.607 -5.449 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.920 -7.201 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.497 -8.721 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.055 -7.003 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.762 -7.494 -0.474 1.00 0.00 H new ATOM 1039 N PRO A 87 -2.821 -8.743 -5.799 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.072 -10.041 -6.430 1.00 0.00 C ATOM 1041 C PRO A 87 -3.092 -11.185 -5.423 1.00 0.00 C ATOM 1042 O PRO A 87 -2.050 -11.613 -4.922 1.00 0.00 O ATOM 1043 CB PRO A 87 -1.902 -10.220 -7.405 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.171 -8.916 -7.416 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.476 -8.248 -6.107 1.00 0.00 C ATOM 0 HA PRO A 87 -4.049 -10.061 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.248 -11.031 -7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.261 -10.475 -8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.099 -9.073 -7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.494 -8.297 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.757 -8.522 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.454 -7.162 -6.192 1.00 0.00 H new ATOM 1053 N THR A 88 -4.284 -11.682 -5.138 1.00 0.00 N ATOM 1054 CA THR A 88 -4.447 -12.780 -4.195 1.00 0.00 C ATOM 1055 C THR A 88 -5.372 -13.850 -4.775 1.00 0.00 C ATOM 1056 O THR A 88 -6.273 -13.544 -5.553 1.00 0.00 O ATOM 1057 CB THR A 88 -4.980 -12.248 -2.861 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.028 -11.390 -2.255 1.00 0.00 O ATOM 1059 CG2 THR A 88 -5.312 -13.332 -1.859 1.00 0.00 C ATOM 0 H THR A 88 -5.155 -11.343 -5.546 1.00 0.00 H new ATOM 0 HA THR A 88 -3.477 -13.243 -4.015 1.00 0.00 H new ATOM 0 HB THR A 88 -5.900 -11.721 -3.113 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.383 -11.056 -1.405 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.683 -12.877 -0.941 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.077 -13.989 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.416 -13.912 -1.640 1.00 0.00 H new ATOM 1067 N LEU A 89 -5.131 -15.107 -4.414 1.00 0.00 N ATOM 1068 CA LEU A 89 -5.936 -16.215 -4.926 1.00 0.00 C ATOM 1069 C LEU A 89 -6.910 -16.746 -3.874 1.00 0.00 C ATOM 1070 O LEU A 89 -7.457 -17.837 -4.027 1.00 0.00 O ATOM 1071 CB LEU A 89 -5.026 -17.347 -5.405 1.00 0.00 C ATOM 1072 CG LEU A 89 -5.697 -18.378 -6.316 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -5.438 -18.048 -7.778 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -5.205 -19.781 -5.989 1.00 0.00 C ATOM 0 H LEU A 89 -4.389 -15.385 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.523 -15.835 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.180 -16.912 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.624 -17.863 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.772 -18.342 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.923 -18.792 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.841 -17.061 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.365 -18.054 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.693 -20.500 -6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.126 -19.831 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.443 -20.018 -4.952 1.00 0.00 H new ATOM 1086 N PHE A 90 -7.126 -15.974 -2.815 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.037 -16.379 -1.749 1.00 0.00 C ATOM 1088 C PHE A 90 -7.570 -17.681 -1.105 1.00 0.00 C ATOM 1089 O PHE A 90 -7.444 -18.708 -1.771 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.462 -16.524 -2.301 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.335 -17.475 -1.527 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.640 -17.232 -0.198 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -10.853 -18.608 -2.134 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -11.444 -18.103 0.513 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -11.658 -19.483 -1.427 1.00 0.00 C ATOM 1096 CZ PHE A 90 -11.952 -19.229 -0.102 1.00 0.00 C ATOM 0 H PHE A 90 -6.684 -15.066 -2.671 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.039 -15.607 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.936 -15.542 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.405 -16.862 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.245 -16.352 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -10.626 -18.810 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.674 -17.902 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -12.056 -20.363 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 90 -12.579 -19.911 0.453 1.00 0.00 H new ATOM 1106 N ASP A 91 -7.313 -17.628 0.199 1.00 0.00 N ATOM 1107 CA ASP A 91 -6.858 -18.800 0.945 1.00 0.00 C ATOM 1108 C ASP A 91 -6.381 -18.404 2.338 1.00 0.00 C ATOM 1109 O ASP A 91 -6.526 -19.164 3.294 1.00 0.00 O ATOM 1110 CB ASP A 91 -5.729 -19.517 0.193 1.00 0.00 C ATOM 1111 CG ASP A 91 -6.116 -20.921 -0.229 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -7.011 -21.056 -1.090 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -5.524 -21.885 0.300 1.00 0.00 O ATOM 0 H ASP A 91 -7.412 -16.784 0.763 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.703 -19.481 1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.458 -18.937 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.845 -19.562 0.828 1.00 0.00 H new ATOM 1118 N MET A 92 -5.813 -17.207 2.445 1.00 0.00 N ATOM 1119 CA MET A 92 -5.316 -16.710 3.723 1.00 0.00 C ATOM 1120 C MET A 92 -6.148 -15.528 4.208 1.00 0.00 C ATOM 1121 O MET A 92 -6.488 -14.635 3.430 1.00 0.00 O ATOM 1122 CB MET A 92 -3.839 -16.306 3.614 1.00 0.00 C ATOM 1123 CG MET A 92 -3.463 -15.666 2.285 1.00 0.00 C ATOM 1124 SD MET A 92 -4.003 -13.950 2.159 1.00 0.00 S ATOM 1125 CE MET A 92 -2.665 -13.239 1.206 1.00 0.00 C ATOM 0 H MET A 92 -5.686 -16.564 1.663 1.00 0.00 H new ATOM 0 HA MET A 92 -5.404 -17.517 4.451 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.604 -15.610 4.419 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.220 -17.190 3.767 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.381 -15.712 2.158 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.905 -16.242 1.472 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.045 -12.411 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.892 -12.873 1.881 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.243 -13.999 0.549 1.00 0.00 H new ATOM 1135 N ASN A 93 -6.476 -15.533 5.498 1.00 0.00 N ATOM 1136 CA ASN A 93 -7.271 -14.467 6.106 1.00 0.00 C ATOM 1137 C ASN A 93 -8.435 -14.051 5.207 1.00 0.00 C ATOM 1138 O ASN A 93 -8.865 -12.897 5.229 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.389 -13.255 6.411 1.00 0.00 C ATOM 1140 CG ASN A 93 -5.663 -12.742 5.184 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -4.524 -13.124 4.917 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -6.322 -11.872 4.427 1.00 0.00 N ATOM 0 H ASN A 93 -6.201 -16.270 6.148 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.686 -14.855 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.005 -12.457 6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.659 -13.524 7.175 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.885 -11.493 3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.265 -11.583 4.686 1.00 0.00 H new ATOM 1149 N ASN A 94 -8.942 -14.996 4.419 1.00 0.00 N ATOM 1150 CA ASN A 94 -10.056 -14.724 3.518 1.00 0.00 C ATOM 1151 C ASN A 94 -11.242 -14.130 4.276 1.00 0.00 C ATOM 1152 O ASN A 94 -12.061 -13.412 3.703 1.00 0.00 O ATOM 1153 CB ASN A 94 -10.486 -16.007 2.804 1.00 0.00 C ATOM 1154 CG ASN A 94 -10.881 -17.104 3.774 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -11.630 -16.870 4.721 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -10.375 -18.310 3.541 1.00 0.00 N ATOM 0 H ASN A 94 -8.599 -15.956 4.387 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.721 -13.997 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.326 -15.789 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.670 -16.360 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.604 -19.088 4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.757 -18.458 2.743 1.00 0.00 H new ATOM 1163 N MET A 95 -11.326 -14.436 5.567 1.00 0.00 N ATOM 1164 CA MET A 95 -12.408 -13.932 6.402 1.00 0.00 C ATOM 1165 C MET A 95 -12.401 -12.407 6.447 1.00 0.00 C ATOM 1166 O MET A 95 -13.373 -11.760 6.057 1.00 0.00 O ATOM 1167 CB MET A 95 -12.285 -14.500 7.815 1.00 0.00 C ATOM 1168 CG MET A 95 -12.980 -15.839 7.997 1.00 0.00 C ATOM 1169 SD MET A 95 -12.922 -16.427 9.703 1.00 0.00 S ATOM 1170 CE MET A 95 -11.598 -17.638 9.591 1.00 0.00 C ATOM 0 H MET A 95 -10.657 -15.031 6.057 1.00 0.00 H new ATOM 0 HA MET A 95 -13.354 -14.254 5.967 1.00 0.00 H new ATOM 0 HB2 MET A 95 -11.229 -14.612 8.062 1.00 0.00 H new ATOM 0 HB3 MET A 95 -12.703 -13.784 8.523 1.00 0.00 H new ATOM 0 HG2 MET A 95 -14.020 -15.750 7.683 1.00 0.00 H new ATOM 0 HG3 MET A 95 -12.513 -16.578 7.346 1.00 0.00 H new ATOM 0 HE1 MET A 95 -11.438 -18.094 10.568 1.00 0.00 H new ATOM 0 HE2 MET A 95 -11.871 -18.409 8.871 1.00 0.00 H new ATOM 0 HE3 MET A 95 -10.681 -17.146 9.266 1.00 0.00 H new ATOM 1180 N ASP A 96 -11.295 -11.840 6.921 1.00 0.00 N ATOM 1181 CA ASP A 96 -11.167 -10.388 7.018 1.00 0.00 C ATOM 1182 C ASP A 96 -9.718 -9.986 7.274 1.00 0.00 C ATOM 1183 O ASP A 96 -8.964 -10.709 7.932 1.00 0.00 O ATOM 1184 CB ASP A 96 -12.059 -9.847 8.126 1.00 0.00 C ATOM 1185 CG ASP A 96 -12.665 -8.497 7.780 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -11.912 -7.500 7.752 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -13.887 -8.439 7.533 1.00 0.00 O ATOM 0 H ASP A 96 -10.478 -12.360 7.242 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.483 -9.958 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.859 -10.560 8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.478 -9.756 9.044 1.00 0.00 H new ATOM 1192 N LEU A 97 -9.326 -8.831 6.742 1.00 0.00 N ATOM 1193 CA LEU A 97 -7.965 -8.325 6.910 1.00 0.00 C ATOM 1194 C LEU A 97 -7.787 -6.989 6.194 1.00 0.00 C ATOM 1195 O LEU A 97 -7.033 -6.127 6.646 1.00 0.00 O ATOM 1196 CB LEU A 97 -6.948 -9.334 6.386 1.00 0.00 C ATOM 1197 CG LEU A 97 -5.617 -9.354 7.138 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -5.652 -10.380 8.260 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -4.472 -9.647 6.182 1.00 0.00 C ATOM 0 H LEU A 97 -9.933 -8.226 6.189 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.795 -8.173 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.389 -10.330 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.752 -9.119 5.336 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.455 -8.370 7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.696 -10.379 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.449 -10.127 8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.836 -11.370 7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.532 -9.658 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.629 -10.618 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.433 -8.875 5.413 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.480 -6.826 5.069 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.403 -5.593 4.290 1.00 0.00 C ATOM 1213 C LEU A 98 -8.709 -4.364 5.144 1.00 0.00 C ATOM 1214 O LEU A 98 -8.350 -3.244 4.783 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.370 -5.653 3.106 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.966 -4.803 1.896 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -8.211 -5.636 0.884 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -10.197 -4.173 1.259 1.00 0.00 C ATOM 0 H LEU A 98 -9.102 -7.533 4.677 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.381 -5.502 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.465 -6.691 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.355 -5.332 3.444 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.306 -4.006 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.934 -5.013 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.310 -6.041 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.844 -6.455 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.896 -3.572 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.879 -4.958 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.699 -3.538 1.988 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.374 -4.581 6.275 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.737 -3.487 7.186 1.00 0.00 C ATOM 1232 C LYS A 99 -8.557 -2.537 7.402 1.00 0.00 C ATOM 1233 O LYS A 99 -8.756 -1.351 7.679 1.00 0.00 O ATOM 1234 CB LYS A 99 -10.205 -4.051 8.525 1.00 0.00 C ATOM 1235 CG LYS A 99 -11.680 -4.406 8.550 1.00 0.00 C ATOM 1236 CD LYS A 99 -12.152 -4.724 9.963 1.00 0.00 C ATOM 1237 CE LYS A 99 -12.691 -3.489 10.663 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.403 -3.835 11.922 1.00 0.00 N ATOM 0 H LYS A 99 -9.675 -5.504 6.588 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.551 -2.923 6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.621 -4.941 8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.002 -3.321 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.262 -3.577 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.860 -5.264 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.928 -5.489 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.324 -5.138 10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.869 -2.809 10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.370 -2.960 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.756 -2.966 12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.203 -4.464 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.748 -4.318 12.570 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.342 -3.055 7.279 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.148 -2.240 7.464 1.00 0.00 C ATOM 1254 C GLN A 100 -5.914 -1.357 6.244 1.00 0.00 C ATOM 1255 O GLN A 100 -5.620 -0.167 6.369 1.00 0.00 O ATOM 1256 CB GLN A 100 -4.923 -3.137 7.702 1.00 0.00 C ATOM 1257 CG GLN A 100 -4.496 -3.185 9.164 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.607 -2.018 9.547 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -4.032 -0.868 9.528 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -2.361 -2.311 9.897 1.00 0.00 N ATOM 0 H GLN A 100 -7.157 -4.032 7.053 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.296 -1.604 8.336 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.148 -4.148 7.361 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.091 -2.775 7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.382 -3.186 9.798 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.967 -4.119 9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.047 -3.281 9.900 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.717 -1.566 10.163 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.053 -1.951 5.062 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.867 -1.227 3.812 1.00 0.00 C ATOM 1271 C ALA A 101 -6.956 -0.173 3.633 1.00 0.00 C ATOM 1272 O ALA A 101 -6.719 0.895 3.067 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.872 -2.197 2.645 1.00 0.00 C ATOM 0 H ALA A 101 -6.295 -2.935 4.946 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.903 -0.719 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.732 -1.647 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.062 -2.916 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.825 -2.725 2.615 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.149 -0.484 4.123 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.285 0.434 4.030 1.00 0.00 C ATOM 1281 C LEU A 102 -9.191 1.522 5.088 1.00 0.00 C ATOM 1282 O LEU A 102 -9.681 2.638 4.894 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.601 -0.336 4.174 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.501 -0.317 2.937 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.561 -1.402 3.033 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.143 1.050 2.771 1.00 0.00 C ATOM 0 H LEU A 102 -8.359 -1.366 4.590 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.261 0.910 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.373 -1.372 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.157 0.078 5.015 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.888 -0.517 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.192 -1.374 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.078 -2.377 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.174 -1.235 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.780 1.048 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.744 1.279 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.366 1.805 2.656 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.568 1.193 6.214 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.422 2.147 7.313 1.00 0.00 C ATOM 1300 C LEU A 103 -7.425 3.245 6.943 1.00 0.00 C ATOM 1301 O LEU A 103 -7.531 4.373 7.428 1.00 0.00 O ATOM 1302 CB LEU A 103 -7.960 1.422 8.580 1.00 0.00 C ATOM 1303 CG LEU A 103 -9.044 1.216 9.635 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -8.583 0.225 10.691 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -9.421 2.544 10.274 1.00 0.00 C ATOM 0 H LEU A 103 -8.156 0.277 6.392 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.391 2.609 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.558 0.449 8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.142 1.987 9.026 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.927 0.805 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.370 0.092 11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.363 -0.733 10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.685 0.604 11.178 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.195 2.380 11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.543 2.982 10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.796 3.223 9.508 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.466 2.915 6.093 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.459 3.881 5.669 1.00 0.00 C ATOM 1319 C ILE A 104 -5.958 4.726 4.501 1.00 0.00 C ATOM 1320 O ILE A 104 -5.804 5.948 4.502 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.135 3.188 5.267 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -4.373 2.180 4.143 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.512 2.505 6.477 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.111 1.454 3.701 1.00 0.00 C ATOM 0 H ILE A 104 -6.362 1.987 5.682 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.270 4.529 6.525 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.443 3.946 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -5.108 1.446 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -4.803 2.698 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.581 2.021 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.307 3.247 7.248 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.202 1.757 6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.355 0.755 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.382 2.179 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.691 0.907 4.545 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.568 4.079 3.513 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.084 4.788 2.348 1.00 0.00 C ATOM 1338 C LEU A 105 -8.243 5.692 2.751 1.00 0.00 C ATOM 1339 O LEU A 105 -8.421 6.773 2.192 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.532 3.803 1.263 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.855 3.079 1.530 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -10.036 3.958 1.138 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.893 1.756 0.773 1.00 0.00 C ATOM 0 H LEU A 105 -6.717 3.070 3.496 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.282 5.403 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.618 4.344 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.750 3.055 1.131 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.928 2.870 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.967 3.426 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.014 4.879 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.974 4.199 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.838 1.251 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.800 1.946 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.068 1.124 1.103 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.022 5.250 3.732 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.159 6.027 4.220 1.00 0.00 C ATOM 1357 C HIS A 106 -9.679 7.167 5.108 1.00 0.00 C ATOM 1358 O HIS A 106 -10.301 8.228 5.160 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.122 5.127 4.987 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.486 5.724 5.155 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.437 5.722 4.157 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.058 6.345 6.215 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.534 6.318 4.594 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.330 6.703 5.838 1.00 0.00 N ATOM 0 H HIS A 106 -8.888 4.357 4.206 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.684 6.452 3.365 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.212 4.174 4.465 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.703 4.913 5.970 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.600 6.525 7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.442 6.464 4.028 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.007 7.189 6.426 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.573 6.931 5.808 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.005 7.937 6.693 1.00 0.00 C ATOM 1375 C ASN A 107 -7.581 9.179 5.900 1.00 0.00 C ATOM 1376 O ASN A 107 -7.763 10.304 6.356 1.00 0.00 O ATOM 1377 CB ASN A 107 -6.802 7.370 7.449 1.00 0.00 C ATOM 1378 CG ASN A 107 -7.041 7.295 8.945 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -7.937 7.948 9.470 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -6.231 6.498 9.635 1.00 0.00 N ATOM 0 H ASN A 107 -8.055 6.053 5.778 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.772 8.224 7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.575 6.374 7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.928 7.992 7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.341 6.410 10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.500 5.974 9.154 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.032 8.951 4.716 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.588 10.044 3.858 1.00 0.00 C ATOM 1389 C ASP A 108 -7.721 10.533 2.956 1.00 0.00 C ATOM 1390 O ASP A 108 -7.625 11.604 2.352 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.397 9.592 3.003 1.00 0.00 C ATOM 1392 CG ASP A 108 -4.277 9.016 3.842 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -4.168 9.384 5.030 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -3.500 8.191 3.301 1.00 0.00 O ATOM 0 H ASP A 108 -6.883 8.020 4.326 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.280 10.872 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.731 8.844 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.021 10.440 2.430 1.00 0.00 H new ATOM 1399 N LEU A 109 -8.787 9.743 2.856 1.00 0.00 N ATOM 1400 CA LEU A 109 -9.924 10.100 2.017 1.00 0.00 C ATOM 1401 C LEU A 109 -10.771 11.191 2.676 1.00 0.00 C ATOM 1402 O LEU A 109 -10.906 12.292 2.149 1.00 0.00 O ATOM 1403 CB LEU A 109 -10.789 8.865 1.743 1.00 0.00 C ATOM 1404 CG LEU A 109 -11.052 8.578 0.263 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -11.048 7.081 -0.004 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -12.369 9.193 -0.174 1.00 0.00 C ATOM 0 H LEU A 109 -8.886 8.853 3.345 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.539 10.485 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.305 7.995 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.746 8.990 2.250 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.250 9.031 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.237 6.900 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.078 6.666 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.827 6.603 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.538 8.978 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.182 8.771 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.334 10.272 -0.024 1.00 0.00 H new ATOM 1418 N HIS A 110 -11.350 10.869 3.830 1.00 0.00 N ATOM 1419 CA HIS A 110 -12.188 11.822 4.554 1.00 0.00 C ATOM 1420 C HIS A 110 -11.387 13.037 5.005 1.00 0.00 C ATOM 1421 O HIS A 110 -11.960 14.063 5.365 1.00 0.00 O ATOM 1422 CB HIS A 110 -12.838 11.149 5.764 1.00 0.00 C ATOM 1423 CG HIS A 110 -11.856 10.633 6.772 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -11.900 9.358 7.290 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -10.799 11.240 7.362 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -10.909 9.203 8.151 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -10.229 10.325 8.214 1.00 0.00 N ATOM 0 H HIS A 110 -11.255 9.960 4.283 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.966 12.162 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -13.503 11.863 6.251 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -13.457 10.322 5.418 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -10.466 12.254 7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.694 8.304 8.709 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.411 10.490 8.800 1.00 0.00 H new ATOM 1436 N GLU A 111 -10.061 12.932 4.986 1.00 0.00 N ATOM 1437 CA GLU A 111 -9.198 14.027 5.396 1.00 0.00 C ATOM 1438 C GLU A 111 -9.528 15.308 4.624 1.00 0.00 C ATOM 1439 O GLU A 111 -9.352 16.414 5.132 1.00 0.00 O ATOM 1440 CB GLU A 111 -7.726 13.656 5.174 1.00 0.00 C ATOM 1441 CG GLU A 111 -6.852 13.879 6.399 1.00 0.00 C ATOM 1442 CD GLU A 111 -5.965 15.094 6.268 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -5.586 15.440 5.130 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -5.648 15.713 7.308 1.00 0.00 O ATOM 0 H GLU A 111 -9.562 12.093 4.689 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.369 14.208 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.664 12.608 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.332 14.244 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.487 13.991 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.232 12.998 6.563 1.00 0.00 H new