USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 915 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 83 CYS SG : rot 180:sc= 1.15 USER MOD Set 1.2: A 100 SER OG : rot 43:sc= 1.38 USER MOD Set 1.3: A 104 GLN : amide:sc=-0.00305 X(o=2.5,f=2.5) USER MOD Set 2.1: A 87 GLN : amide:sc= 0.0029 X(o=0.0047,f=0) USER MOD Set 2.2: A 97 TYR OH : rot 104:sc= 0.00184 USER MOD Set 3.1: A 30 GLN : amide:sc= -0.539 K(o=-3.8,f=-5.9!) USER MOD Set 3.2: A 32 SER OG : rot 162:sc= -3.24! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 160:sc=-0.000985 (180deg=-0.00233) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 18:sc= -1.11 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.532 K(o=-0.53,f=-3.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0168) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.759 X(o=-0.76,f=-0.71) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 154:sc= 0.00941 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.013 (180deg=-0.308) USER MOD Single : A 80 MET CE :methyl 154:sc= -0.128 (180deg=-1.79) USER MOD Single : A 84 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.1!) USER MOD Single : A 85 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.3!) USER MOD Single : A 88 THR OG1 : rot 15:sc= 0.415 USER MOD Single : A 90 ASN : amide:sc= -1.35 X(o=-1.3,f=-1) USER MOD Single : A 94 SER OG : rot -101:sc= -1.4! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 2.297 -19.491 -1.896 1.00 0.00 N ATOM 2 CA LYS A 11 1.795 -18.171 -2.289 1.00 0.00 C ATOM 3 C LYS A 11 1.530 -17.294 -1.065 1.00 0.00 C ATOM 4 O LYS A 11 1.791 -16.091 -1.087 1.00 0.00 O ATOM 5 CB LYS A 11 0.520 -18.294 -3.136 1.00 0.00 C ATOM 6 CG LYS A 11 -0.566 -19.158 -2.508 1.00 0.00 C ATOM 7 CD LYS A 11 -0.961 -20.308 -3.422 1.00 0.00 C ATOM 8 CE LYS A 11 -1.116 -21.609 -2.650 1.00 0.00 C ATOM 9 NZ LYS A 11 -2.421 -21.683 -1.936 1.00 0.00 N ATOM 0 HA LYS A 11 2.568 -17.695 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.118 -17.297 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.782 -18.710 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.213 -19.553 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.441 -18.545 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.898 -20.069 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.206 -20.433 -4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.031 -22.451 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.303 -21.702 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.485 -22.585 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.493 -20.895 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.198 -21.620 -2.625 1.00 0.00 H new ATOM 23 N MET A 12 1.017 -17.907 0.003 1.00 0.00 N ATOM 24 CA MET A 12 0.724 -17.184 1.240 1.00 0.00 C ATOM 25 C MET A 12 2.002 -16.598 1.841 1.00 0.00 C ATOM 26 O MET A 12 2.042 -15.425 2.210 1.00 0.00 O ATOM 27 CB MET A 12 0.042 -18.108 2.255 1.00 0.00 C ATOM 28 CG MET A 12 -0.987 -17.405 3.128 1.00 0.00 C ATOM 29 SD MET A 12 -2.349 -16.705 2.176 1.00 0.00 S ATOM 30 CE MET A 12 -2.099 -14.954 2.461 1.00 0.00 C ATOM 0 H MET A 12 0.796 -18.902 0.036 1.00 0.00 H new ATOM 0 HA MET A 12 0.046 -16.365 1.000 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.445 -18.924 1.720 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.803 -18.555 2.894 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.384 -18.113 3.855 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.497 -16.611 3.691 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.610 -14.383 1.686 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.502 -14.683 3.437 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.033 -14.729 2.433 1.00 0.00 H new ATOM 40 N LYS A 13 3.045 -17.427 1.928 1.00 0.00 N ATOM 41 CA LYS A 13 4.332 -16.994 2.475 1.00 0.00 C ATOM 42 C LYS A 13 4.959 -15.916 1.597 1.00 0.00 C ATOM 43 O LYS A 13 5.585 -14.987 2.101 1.00 0.00 O ATOM 44 CB LYS A 13 5.294 -18.180 2.600 1.00 0.00 C ATOM 45 CG LYS A 13 4.737 -19.351 3.398 1.00 0.00 C ATOM 46 CD LYS A 13 5.692 -20.535 3.390 1.00 0.00 C ATOM 47 CE LYS A 13 6.776 -20.391 4.449 1.00 0.00 C ATOM 48 NZ LYS A 13 6.354 -20.955 5.762 1.00 0.00 N ATOM 0 H LYS A 13 3.023 -18.401 1.627 1.00 0.00 H new ATOM 0 HA LYS A 13 4.149 -16.579 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.557 -18.527 1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.215 -17.838 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.553 -19.038 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.777 -19.654 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.133 -21.455 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.153 -20.624 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.681 -20.896 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.026 -19.337 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.121 -20.836 6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.505 -20.456 6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.140 -21.967 5.653 1.00 0.00 H new ATOM 62 N LYS A 14 4.783 -16.046 0.282 1.00 0.00 N ATOM 63 CA LYS A 14 5.333 -15.080 -0.667 1.00 0.00 C ATOM 64 C LYS A 14 4.839 -13.666 -0.360 1.00 0.00 C ATOM 65 O LYS A 14 5.620 -12.715 -0.373 1.00 0.00 O ATOM 66 CB LYS A 14 4.954 -15.460 -2.103 1.00 0.00 C ATOM 67 CG LYS A 14 6.084 -16.116 -2.880 1.00 0.00 C ATOM 68 CD LYS A 14 6.902 -15.090 -3.649 1.00 0.00 C ATOM 69 CE LYS A 14 8.368 -15.491 -3.727 1.00 0.00 C ATOM 70 NZ LYS A 14 8.944 -15.273 -5.086 1.00 0.00 N ATOM 0 H LYS A 14 4.264 -16.811 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 14 6.418 -15.098 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.101 -16.138 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.632 -14.564 -2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.733 -16.658 -2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.672 -16.849 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.499 -14.983 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.815 -14.117 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.939 -14.917 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.470 -16.542 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.943 -15.560 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.418 -15.840 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.872 -14.266 -5.336 1.00 0.00 H new ATOM 84 N ILE A 15 3.541 -13.537 -0.078 1.00 0.00 N ATOM 85 CA ILE A 15 2.953 -12.237 0.237 1.00 0.00 C ATOM 86 C ILE A 15 3.459 -11.718 1.581 1.00 0.00 C ATOM 87 O ILE A 15 3.889 -10.570 1.689 1.00 0.00 O ATOM 88 CB ILE A 15 1.407 -12.292 0.263 1.00 0.00 C ATOM 89 CG1 ILE A 15 0.869 -12.917 -1.028 1.00 0.00 C ATOM 90 CG2 ILE A 15 0.826 -10.896 0.462 1.00 0.00 C ATOM 91 CD1 ILE A 15 -0.611 -13.232 -0.978 1.00 0.00 C ATOM 0 H ILE A 15 2.881 -14.314 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 15 3.262 -11.556 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 15 1.100 -12.917 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.059 -12.236 -1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.420 -13.834 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.262 -10.954 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.181 -10.485 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.143 -10.250 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.922 -13.672 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.806 -13.937 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.173 -12.314 -0.802 1.00 0.00 H new ATOM 103 N VAL A 16 3.402 -12.570 2.606 1.00 0.00 N ATOM 104 CA VAL A 16 3.852 -12.191 3.946 1.00 0.00 C ATOM 105 C VAL A 16 5.347 -11.869 3.962 1.00 0.00 C ATOM 106 O VAL A 16 5.754 -10.831 4.486 1.00 0.00 O ATOM 107 CB VAL A 16 3.559 -13.295 4.986 1.00 0.00 C ATOM 108 CG1 VAL A 16 3.905 -12.815 6.391 1.00 0.00 C ATOM 109 CG2 VAL A 16 2.100 -13.735 4.914 1.00 0.00 C ATOM 0 H VAL A 16 3.050 -13.525 2.534 1.00 0.00 H new ATOM 0 HA VAL A 16 3.290 -11.298 4.218 1.00 0.00 H new ATOM 0 HB VAL A 16 4.186 -14.156 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.691 -13.607 7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.963 -12.559 6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.308 -11.936 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.918 -14.513 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.452 -12.882 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.886 -14.125 3.919 1.00 0.00 H new ATOM 119 N ASP A 17 6.156 -12.760 3.389 1.00 0.00 N ATOM 120 CA ASP A 17 7.606 -12.566 3.343 1.00 0.00 C ATOM 121 C ASP A 17 7.965 -11.252 2.654 1.00 0.00 C ATOM 122 O ASP A 17 8.822 -10.512 3.133 1.00 0.00 O ATOM 123 CB ASP A 17 8.286 -13.736 2.618 1.00 0.00 C ATOM 124 CG ASP A 17 8.357 -14.996 3.467 1.00 0.00 C ATOM 125 OD1 ASP A 17 8.526 -14.881 4.700 1.00 0.00 O ATOM 126 OD2 ASP A 17 8.246 -16.101 2.895 1.00 0.00 O ATOM 0 H ASP A 17 5.833 -13.622 2.951 1.00 0.00 H new ATOM 0 HA ASP A 17 7.966 -12.527 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.742 -13.953 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.295 -13.441 2.329 1.00 0.00 H new ATOM 131 N ALA A 18 7.302 -10.963 1.532 1.00 0.00 N ATOM 132 CA ALA A 18 7.555 -9.732 0.787 1.00 0.00 C ATOM 133 C ALA A 18 7.254 -8.497 1.639 1.00 0.00 C ATOM 134 O ALA A 18 7.994 -7.512 1.598 1.00 0.00 O ATOM 135 CB ALA A 18 6.735 -9.707 -0.496 1.00 0.00 C ATOM 0 H ALA A 18 6.588 -11.565 1.122 1.00 0.00 H new ATOM 0 HA ALA A 18 8.613 -9.710 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.936 -8.783 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.007 -10.559 -1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.674 -9.761 -0.251 1.00 0.00 H new ATOM 141 N VAL A 19 6.169 -8.556 2.413 1.00 0.00 N ATOM 142 CA VAL A 19 5.780 -7.440 3.274 1.00 0.00 C ATOM 143 C VAL A 19 6.695 -7.340 4.494 1.00 0.00 C ATOM 144 O VAL A 19 7.187 -6.259 4.820 1.00 0.00 O ATOM 145 CB VAL A 19 4.310 -7.558 3.743 1.00 0.00 C ATOM 146 CG1 VAL A 19 3.892 -6.307 4.506 1.00 0.00 C ATOM 147 CG2 VAL A 19 3.382 -7.799 2.558 1.00 0.00 C ATOM 0 H VAL A 19 5.546 -9.362 2.461 1.00 0.00 H new ATOM 0 HA VAL A 19 5.880 -6.535 2.675 1.00 0.00 H new ATOM 0 HB VAL A 19 4.233 -8.413 4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.856 -6.407 4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.533 -6.182 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.988 -5.436 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.354 -7.879 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.462 -6.967 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.666 -8.724 2.056 1.00 0.00 H new ATOM 157 N ILE A 20 6.921 -8.469 5.165 1.00 0.00 N ATOM 158 CA ILE A 20 7.780 -8.500 6.348 1.00 0.00 C ATOM 159 C ILE A 20 9.229 -8.154 5.994 1.00 0.00 C ATOM 160 O ILE A 20 9.906 -7.465 6.756 1.00 0.00 O ATOM 161 CB ILE A 20 7.734 -9.877 7.049 1.00 0.00 C ATOM 162 CG1 ILE A 20 6.299 -10.223 7.461 1.00 0.00 C ATOM 163 CG2 ILE A 20 8.654 -9.891 8.263 1.00 0.00 C ATOM 164 CD1 ILE A 20 5.723 -9.299 8.514 1.00 0.00 C ATOM 0 H ILE A 20 6.522 -9.372 4.910 1.00 0.00 H new ATOM 0 HA ILE A 20 7.395 -7.746 7.035 1.00 0.00 H new ATOM 0 HB ILE A 20 8.082 -10.632 6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.661 -10.194 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.276 -11.246 7.837 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.608 -10.868 8.743 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.677 -9.690 7.946 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.336 -9.124 8.970 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.705 -9.609 8.752 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.337 -9.345 9.414 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.712 -8.277 8.135 1.00 0.00 H new ATOM 176 N LYS A 21 9.697 -8.626 4.837 1.00 0.00 N ATOM 177 CA LYS A 21 11.066 -8.351 4.391 1.00 0.00 C ATOM 178 C LYS A 21 11.314 -6.844 4.263 1.00 0.00 C ATOM 179 O LYS A 21 12.447 -6.381 4.415 1.00 0.00 O ATOM 180 CB LYS A 21 11.347 -9.044 3.053 1.00 0.00 C ATOM 181 CG LYS A 21 12.816 -9.035 2.654 1.00 0.00 C ATOM 182 CD LYS A 21 13.003 -8.595 1.209 1.00 0.00 C ATOM 183 CE LYS A 21 14.175 -7.633 1.064 1.00 0.00 C ATOM 184 NZ LYS A 21 13.771 -6.214 1.276 1.00 0.00 N ATOM 0 H LYS A 21 9.151 -9.199 4.193 1.00 0.00 H new ATOM 0 HA LYS A 21 11.746 -8.748 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.002 -10.076 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.765 -8.555 2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.368 -8.365 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.236 -10.032 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.169 -9.470 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.091 -8.115 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.951 -7.899 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.610 -7.740 0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.601 -5.597 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.049 -5.950 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.380 -6.104 2.234 1.00 0.00 H new ATOM 198 N TYR A 22 10.252 -6.082 3.989 1.00 0.00 N ATOM 199 CA TYR A 22 10.356 -4.632 3.851 1.00 0.00 C ATOM 200 C TYR A 22 9.979 -3.931 5.164 1.00 0.00 C ATOM 201 O TYR A 22 9.256 -2.931 5.163 1.00 0.00 O ATOM 202 CB TYR A 22 9.453 -4.148 2.707 1.00 0.00 C ATOM 203 CG TYR A 22 9.889 -2.839 2.068 1.00 0.00 C ATOM 204 CD1 TYR A 22 10.683 -1.925 2.754 1.00 0.00 C ATOM 205 CD2 TYR A 22 9.495 -2.519 0.774 1.00 0.00 C ATOM 206 CE1 TYR A 22 11.070 -0.734 2.171 1.00 0.00 C ATOM 207 CE2 TYR A 22 9.880 -1.330 0.183 1.00 0.00 C ATOM 208 CZ TYR A 22 10.666 -0.441 0.886 1.00 0.00 C ATOM 209 OH TYR A 22 11.048 0.745 0.300 1.00 0.00 O ATOM 0 H TYR A 22 9.309 -6.449 3.859 1.00 0.00 H new ATOM 0 HA TYR A 22 11.390 -4.379 3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.419 -4.919 1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.438 -4.031 3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.002 -2.151 3.761 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.877 -3.211 0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.686 -0.036 2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.567 -1.098 -0.824 1.00 0.00 H new ATOM 0 HH TYR A 22 11.810 1.121 0.789 1.00 0.00 H new ATOM 219 N LYS A 23 10.482 -4.457 6.285 1.00 0.00 N ATOM 220 CA LYS A 23 10.206 -3.872 7.595 1.00 0.00 C ATOM 221 C LYS A 23 11.371 -2.993 8.038 1.00 0.00 C ATOM 222 O LYS A 23 12.503 -3.466 8.168 1.00 0.00 O ATOM 223 CB LYS A 23 9.928 -4.964 8.639 1.00 0.00 C ATOM 224 CG LYS A 23 11.124 -5.851 8.960 1.00 0.00 C ATOM 225 CD LYS A 23 10.739 -6.979 9.907 1.00 0.00 C ATOM 226 CE LYS A 23 11.754 -7.137 11.029 1.00 0.00 C ATOM 227 NZ LYS A 23 11.314 -6.461 12.284 1.00 0.00 N ATOM 0 H LYS A 23 11.080 -5.283 6.309 1.00 0.00 H new ATOM 0 HA LYS A 23 9.313 -3.253 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.586 -4.490 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.112 -5.592 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.527 -6.269 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.915 -5.250 9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.755 -6.779 10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.663 -7.913 9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.914 -8.197 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.711 -6.724 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.035 -6.594 13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.186 -5.445 12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.413 -6.872 12.602 1.00 0.00 H new ATOM 241 N ASP A 24 11.092 -1.710 8.256 1.00 0.00 N ATOM 242 CA ASP A 24 12.125 -0.769 8.673 1.00 0.00 C ATOM 243 C ASP A 24 12.293 -0.787 10.188 1.00 0.00 C ATOM 244 O ASP A 24 11.368 -0.450 10.931 1.00 0.00 O ATOM 245 CB ASP A 24 11.770 0.640 8.195 1.00 0.00 C ATOM 246 CG ASP A 24 12.933 1.340 7.520 1.00 0.00 C ATOM 247 OD1 ASP A 24 13.493 0.773 6.558 1.00 0.00 O ATOM 248 OD2 ASP A 24 13.283 2.457 7.952 1.00 0.00 O ATOM 0 H ASP A 24 10.164 -1.301 8.151 1.00 0.00 H new ATOM 0 HA ASP A 24 13.071 -1.070 8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.933 0.583 7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.438 1.235 9.046 1.00 0.00 H new ATOM 253 N SER A 25 13.485 -1.184 10.640 1.00 0.00 N ATOM 254 CA SER A 25 13.791 -1.254 12.066 1.00 0.00 C ATOM 255 C SER A 25 12.926 -2.306 12.768 1.00 0.00 C ATOM 256 O SER A 25 12.175 -3.041 12.122 1.00 0.00 O ATOM 257 CB SER A 25 13.589 0.119 12.719 1.00 0.00 C ATOM 258 OG SER A 25 14.508 0.317 13.779 1.00 0.00 O ATOM 0 H SER A 25 14.256 -1.463 10.033 1.00 0.00 H new ATOM 0 HA SER A 25 14.835 -1.550 12.173 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.715 0.903 11.972 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.570 0.200 13.097 1.00 0.00 H new ATOM 0 HG SER A 25 14.361 1.200 14.179 1.00 0.00 H new ATOM 264 N SER A 26 13.037 -2.371 14.095 1.00 0.00 N ATOM 265 CA SER A 26 12.263 -3.326 14.885 1.00 0.00 C ATOM 266 C SER A 26 10.861 -2.788 15.175 1.00 0.00 C ATOM 267 O SER A 26 9.933 -3.561 15.413 1.00 0.00 O ATOM 268 CB SER A 26 12.984 -3.638 16.201 1.00 0.00 C ATOM 269 OG SER A 26 14.109 -4.472 15.981 1.00 0.00 O ATOM 0 H SER A 26 13.655 -1.774 14.644 1.00 0.00 H new ATOM 0 HA SER A 26 12.168 -4.243 14.304 1.00 0.00 H new ATOM 0 HB2 SER A 26 13.303 -2.709 16.674 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.295 -4.126 16.890 1.00 0.00 H new ATOM 0 HG SER A 26 14.553 -4.655 16.835 1.00 0.00 H new ATOM 275 N SER A 27 10.714 -1.461 15.150 1.00 0.00 N ATOM 276 CA SER A 27 9.425 -0.825 15.409 1.00 0.00 C ATOM 277 C SER A 27 8.577 -0.722 14.134 1.00 0.00 C ATOM 278 O SER A 27 7.360 -0.550 14.208 1.00 0.00 O ATOM 279 CB SER A 27 9.633 0.570 16.007 1.00 0.00 C ATOM 280 OG SER A 27 8.492 0.991 16.733 1.00 0.00 O ATOM 0 H SER A 27 11.473 -0.808 14.953 1.00 0.00 H new ATOM 0 HA SER A 27 8.888 -1.451 16.122 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.503 0.561 16.664 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.843 1.283 15.210 1.00 0.00 H new ATOM 0 HG SER A 27 8.652 1.883 17.105 1.00 0.00 H new ATOM 286 N GLY A 28 9.222 -0.821 12.969 1.00 0.00 N ATOM 287 CA GLY A 28 8.502 -0.727 11.707 1.00 0.00 C ATOM 288 C GLY A 28 8.286 0.711 11.267 1.00 0.00 C ATOM 289 O GLY A 28 7.318 1.009 10.565 1.00 0.00 O ATOM 0 H GLY A 28 10.228 -0.964 12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.057 -1.260 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.536 -1.223 11.805 1.00 0.00 H new ATOM 293 N ARG A 29 9.193 1.602 11.676 1.00 0.00 N ATOM 294 CA ARG A 29 9.099 3.015 11.318 1.00 0.00 C ATOM 295 C ARG A 29 9.664 3.254 9.918 1.00 0.00 C ATOM 296 O ARG A 29 10.881 3.259 9.722 1.00 0.00 O ATOM 297 CB ARG A 29 9.828 3.889 12.349 1.00 0.00 C ATOM 298 CG ARG A 29 11.289 3.513 12.573 1.00 0.00 C ATOM 299 CD ARG A 29 12.214 4.694 12.322 1.00 0.00 C ATOM 300 NE ARG A 29 12.249 5.615 13.458 1.00 0.00 N ATOM 301 CZ ARG A 29 12.945 5.399 14.578 1.00 0.00 C ATOM 302 NH1 ARG A 29 13.674 4.292 14.716 1.00 0.00 N ATOM 303 NH2 ARG A 29 12.913 6.291 15.562 1.00 0.00 N ATOM 0 H ARG A 29 9.999 1.368 12.255 1.00 0.00 H new ATOM 0 HA ARG A 29 8.046 3.295 11.317 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.779 4.929 12.026 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.299 3.825 13.300 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.421 3.157 13.595 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.560 2.691 11.911 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.221 4.329 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.885 5.229 11.431 1.00 0.00 H new ATOM 0 HE ARG A 29 11.708 6.477 13.391 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.703 3.603 13.964 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.203 4.133 15.574 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.357 7.140 15.462 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.444 6.126 16.417 1.00 0.00 H new ATOM 317 N GLN A 30 8.769 3.439 8.948 1.00 0.00 N ATOM 318 CA GLN A 30 9.169 3.666 7.562 1.00 0.00 C ATOM 319 C GLN A 30 8.306 4.743 6.903 1.00 0.00 C ATOM 320 O GLN A 30 7.302 5.182 7.466 1.00 0.00 O ATOM 321 CB GLN A 30 9.057 2.357 6.772 1.00 0.00 C ATOM 322 CG GLN A 30 10.049 2.242 5.623 1.00 0.00 C ATOM 323 CD GLN A 30 9.372 2.212 4.265 1.00 0.00 C ATOM 324 OE1 GLN A 30 9.650 3.044 3.402 1.00 0.00 O ATOM 325 NE2 GLN A 30 8.474 1.251 4.067 1.00 0.00 N ATOM 0 H GLN A 30 7.760 3.436 9.098 1.00 0.00 H new ATOM 0 HA GLN A 30 10.203 4.012 7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.207 1.519 7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.045 2.269 6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.741 3.083 5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.641 1.336 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.272 0.581 4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.987 1.184 3.173 1.00 0.00 H new ATOM 334 N LEU A 31 8.702 5.149 5.696 1.00 0.00 N ATOM 335 CA LEU A 31 7.972 6.164 4.932 1.00 0.00 C ATOM 336 C LEU A 31 6.530 5.719 4.668 1.00 0.00 C ATOM 337 O LEU A 31 5.613 6.542 4.646 1.00 0.00 O ATOM 338 CB LEU A 31 8.683 6.450 3.603 1.00 0.00 C ATOM 339 CG LEU A 31 10.200 6.665 3.703 1.00 0.00 C ATOM 340 CD1 LEU A 31 10.913 6.014 2.525 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.525 8.150 3.779 1.00 0.00 C ATOM 0 H LEU A 31 9.530 4.788 5.223 1.00 0.00 H new ATOM 0 HA LEU A 31 7.949 7.078 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.495 5.619 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.236 7.337 3.154 1.00 0.00 H new ATOM 0 HG LEU A 31 10.555 6.191 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.987 6.178 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.708 4.943 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.555 6.454 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.605 8.283 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.155 8.650 2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.048 8.582 4.659 1.00 0.00 H new ATOM 353 N SER A 32 6.342 4.410 4.464 1.00 0.00 N ATOM 354 CA SER A 32 5.017 3.838 4.196 1.00 0.00 C ATOM 355 C SER A 32 4.042 4.022 5.370 1.00 0.00 C ATOM 356 O SER A 32 2.850 3.743 5.225 1.00 0.00 O ATOM 357 CB SER A 32 5.138 2.348 3.873 1.00 0.00 C ATOM 358 OG SER A 32 5.604 2.143 2.552 1.00 0.00 O ATOM 0 H SER A 32 7.096 3.723 4.480 1.00 0.00 H new ATOM 0 HA SER A 32 4.613 4.379 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.821 1.875 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.168 1.867 3.997 1.00 0.00 H new ATOM 0 HG SER A 32 5.944 1.228 2.463 1.00 0.00 H new ATOM 364 N GLU A 33 4.536 4.485 6.527 1.00 0.00 N ATOM 365 CA GLU A 33 3.675 4.690 7.696 1.00 0.00 C ATOM 366 C GLU A 33 2.519 5.640 7.374 1.00 0.00 C ATOM 367 O GLU A 33 1.443 5.542 7.965 1.00 0.00 O ATOM 368 CB GLU A 33 4.488 5.227 8.876 1.00 0.00 C ATOM 369 CG GLU A 33 5.144 4.128 9.698 1.00 0.00 C ATOM 370 CD GLU A 33 6.013 4.663 10.819 1.00 0.00 C ATOM 371 OE1 GLU A 33 6.925 5.467 10.534 1.00 0.00 O ATOM 372 OE2 GLU A 33 5.785 4.272 11.983 1.00 0.00 O ATOM 0 H GLU A 33 5.517 4.722 6.676 1.00 0.00 H new ATOM 0 HA GLU A 33 3.253 3.723 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.258 5.902 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.835 5.815 9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.370 3.487 10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.751 3.504 9.042 1.00 0.00 H new ATOM 379 N VAL A 34 2.744 6.551 6.425 1.00 0.00 N ATOM 380 CA VAL A 34 1.717 7.505 6.014 1.00 0.00 C ATOM 381 C VAL A 34 0.536 6.800 5.335 1.00 0.00 C ATOM 382 O VAL A 34 -0.603 7.259 5.425 1.00 0.00 O ATOM 383 CB VAL A 34 2.289 8.574 5.058 1.00 0.00 C ATOM 384 CG1 VAL A 34 2.749 7.946 3.749 1.00 0.00 C ATOM 385 CG2 VAL A 34 1.259 9.666 4.802 1.00 0.00 C ATOM 0 H VAL A 34 3.629 6.647 5.928 1.00 0.00 H new ATOM 0 HA VAL A 34 1.364 7.994 6.922 1.00 0.00 H new ATOM 0 HB VAL A 34 3.158 9.026 5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.147 8.721 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.525 7.208 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.904 7.459 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.679 10.411 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.369 9.228 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.991 10.142 5.745 1.00 0.00 H new ATOM 395 N PHE A 35 0.816 5.684 4.656 1.00 0.00 N ATOM 396 CA PHE A 35 -0.227 4.922 3.967 1.00 0.00 C ATOM 397 C PHE A 35 -0.864 3.886 4.893 1.00 0.00 C ATOM 398 O PHE A 35 -1.937 3.363 4.590 1.00 0.00 O ATOM 399 CB PHE A 35 0.340 4.224 2.727 1.00 0.00 C ATOM 400 CG PHE A 35 0.994 5.154 1.740 1.00 0.00 C ATOM 401 CD1 PHE A 35 0.374 6.334 1.357 1.00 0.00 C ATOM 402 CD2 PHE A 35 2.230 4.846 1.193 1.00 0.00 C ATOM 403 CE1 PHE A 35 0.973 7.187 0.451 1.00 0.00 C ATOM 404 CE2 PHE A 35 2.834 5.695 0.287 1.00 0.00 C ATOM 405 CZ PHE A 35 2.206 6.867 -0.084 1.00 0.00 C ATOM 0 H PHE A 35 1.753 5.290 4.569 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.996 5.630 3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.069 3.479 3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.466 3.688 2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.590 6.589 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.727 3.931 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.479 8.102 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.797 5.442 -0.131 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.678 7.533 -0.791 1.00 0.00 H new ATOM 415 N ILE A 36 -0.210 3.595 6.022 1.00 0.00 N ATOM 416 CA ILE A 36 -0.740 2.626 6.979 1.00 0.00 C ATOM 417 C ILE A 36 -2.136 3.040 7.461 1.00 0.00 C ATOM 418 O ILE A 36 -2.959 2.186 7.783 1.00 0.00 O ATOM 419 CB ILE A 36 0.193 2.448 8.202 1.00 0.00 C ATOM 420 CG1 ILE A 36 1.604 2.043 7.757 1.00 0.00 C ATOM 421 CG2 ILE A 36 -0.377 1.412 9.164 1.00 0.00 C ATOM 422 CD1 ILE A 36 1.678 0.685 7.090 1.00 0.00 C ATOM 0 H ILE A 36 0.680 4.014 6.292 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.804 1.672 6.455 1.00 0.00 H new ATOM 0 HB ILE A 36 0.258 3.405 8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.985 2.796 7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.262 2.045 8.626 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.292 1.301 10.017 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.357 1.739 9.512 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.475 0.455 8.652 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.709 0.475 6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.329 -0.080 7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.049 0.682 6.200 1.00 0.00 H new ATOM 434 N GLN A 37 -2.396 4.354 7.506 1.00 0.00 N ATOM 435 CA GLN A 37 -3.693 4.868 7.944 1.00 0.00 C ATOM 436 C GLN A 37 -4.219 5.941 6.982 1.00 0.00 C ATOM 437 O GLN A 37 -3.584 6.981 6.792 1.00 0.00 O ATOM 438 CB GLN A 37 -3.578 5.443 9.360 1.00 0.00 C ATOM 439 CG GLN A 37 -4.920 5.694 10.035 1.00 0.00 C ATOM 440 CD GLN A 37 -5.311 4.598 11.012 1.00 0.00 C ATOM 441 OE1 GLN A 37 -4.528 3.693 11.303 1.00 0.00 O ATOM 442 NE2 GLN A 37 -6.534 4.676 11.529 1.00 0.00 N ATOM 0 H GLN A 37 -1.724 5.076 7.244 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.402 4.040 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.996 4.756 9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.023 6.380 9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.881 6.647 10.563 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.693 5.784 9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.153 5.442 11.262 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.853 3.970 12.192 1.00 0.00 H new ATOM 451 N LEU A 38 -5.383 5.679 6.380 1.00 0.00 N ATOM 452 CA LEU A 38 -6.006 6.616 5.438 1.00 0.00 C ATOM 453 C LEU A 38 -7.179 7.346 6.093 1.00 0.00 C ATOM 454 O LEU A 38 -7.928 6.750 6.869 1.00 0.00 O ATOM 455 CB LEU A 38 -6.487 5.875 4.183 1.00 0.00 C ATOM 456 CG LEU A 38 -5.834 6.321 2.872 1.00 0.00 C ATOM 457 CD1 LEU A 38 -4.614 5.467 2.560 1.00 0.00 C ATOM 458 CD2 LEU A 38 -6.837 6.259 1.729 1.00 0.00 C ATOM 0 H LEU A 38 -5.916 4.822 6.529 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.256 7.352 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.304 4.809 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.566 6.004 4.095 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.506 7.354 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.166 5.801 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.886 5.564 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.915 4.424 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.356 6.579 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.196 5.236 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.678 6.917 1.947 1.00 0.00 H new ATOM 470 N PRO A 39 -7.357 8.653 5.792 1.00 0.00 N ATOM 471 CA PRO A 39 -8.448 9.461 6.364 1.00 0.00 C ATOM 472 C PRO A 39 -9.836 8.928 6.004 1.00 0.00 C ATOM 473 O PRO A 39 -9.971 8.012 5.190 1.00 0.00 O ATOM 474 CB PRO A 39 -8.234 10.854 5.759 1.00 0.00 C ATOM 475 CG PRO A 39 -7.392 10.625 4.552 1.00 0.00 C ATOM 476 CD PRO A 39 -6.516 9.448 4.879 1.00 0.00 C ATOM 0 HA PRO A 39 -8.419 9.449 7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.183 11.320 5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.738 11.519 6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.010 10.421 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.793 11.506 4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.246 8.885 3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.585 9.757 5.354 1.00 0.00 H new ATOM 484 N SER A 40 -10.862 9.502 6.630 1.00 0.00 N ATOM 485 CA SER A 40 -12.241 9.079 6.394 1.00 0.00 C ATOM 486 C SER A 40 -12.831 9.733 5.147 1.00 0.00 C ATOM 487 O SER A 40 -12.646 10.929 4.910 1.00 0.00 O ATOM 488 CB SER A 40 -13.107 9.410 7.613 1.00 0.00 C ATOM 489 OG SER A 40 -12.535 8.895 8.804 1.00 0.00 O ATOM 0 H SER A 40 -10.764 10.261 7.304 1.00 0.00 H new ATOM 0 HA SER A 40 -12.231 8.001 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.221 10.491 7.699 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.105 8.994 7.477 1.00 0.00 H new ATOM 0 HG SER A 40 -13.107 9.122 9.567 1.00 0.00 H new ATOM 495 N ARG A 41 -13.559 8.937 4.361 1.00 0.00 N ATOM 496 CA ARG A 41 -14.198 9.426 3.138 1.00 0.00 C ATOM 497 C ARG A 41 -15.196 10.542 3.446 1.00 0.00 C ATOM 498 O ARG A 41 -15.293 11.517 2.701 1.00 0.00 O ATOM 499 CB ARG A 41 -14.907 8.284 2.400 1.00 0.00 C ATOM 500 CG ARG A 41 -15.923 7.537 3.249 1.00 0.00 C ATOM 501 CD ARG A 41 -16.745 6.570 2.412 1.00 0.00 C ATOM 502 NE ARG A 41 -18.030 6.263 3.035 1.00 0.00 N ATOM 503 CZ ARG A 41 -18.172 5.491 4.117 1.00 0.00 C ATOM 504 NH1 ARG A 41 -17.108 4.936 4.696 1.00 0.00 N ATOM 505 NH2 ARG A 41 -19.382 5.273 4.619 1.00 0.00 N ATOM 0 H ARG A 41 -13.721 7.948 4.551 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.414 9.829 2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.410 8.689 1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.159 7.577 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.407 6.989 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.586 8.251 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.914 6.999 1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.183 5.648 2.267 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.871 6.662 2.619 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.176 5.099 4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.225 4.348 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.200 5.694 4.179 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.493 4.684 5.445 1.00 0.00 H new ATOM 519 N LYS A 42 -15.937 10.394 4.549 1.00 0.00 N ATOM 520 CA LYS A 42 -16.922 11.398 4.951 1.00 0.00 C ATOM 521 C LYS A 42 -16.236 12.726 5.280 1.00 0.00 C ATOM 522 O LYS A 42 -16.770 13.796 4.992 1.00 0.00 O ATOM 523 CB LYS A 42 -17.734 10.908 6.155 1.00 0.00 C ATOM 524 CG LYS A 42 -18.424 9.570 5.923 1.00 0.00 C ATOM 525 CD LYS A 42 -19.724 9.462 6.704 1.00 0.00 C ATOM 526 CE LYS A 42 -20.194 8.018 6.801 1.00 0.00 C ATOM 527 NZ LYS A 42 -21.350 7.867 7.730 1.00 0.00 N ATOM 0 H LYS A 42 -15.873 9.592 5.176 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.603 11.557 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.073 10.821 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -18.486 11.657 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.628 9.446 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.755 8.761 6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.584 9.869 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.492 10.065 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.476 7.662 5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.370 7.391 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -21.638 6.868 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.074 8.183 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -22.146 8.445 7.391 1.00 0.00 H new ATOM 541 N GLU A 43 -15.041 12.642 5.872 1.00 0.00 N ATOM 542 CA GLU A 43 -14.267 13.832 6.226 1.00 0.00 C ATOM 543 C GLU A 43 -13.760 14.545 4.971 1.00 0.00 C ATOM 544 O GLU A 43 -13.743 15.775 4.915 1.00 0.00 O ATOM 545 CB GLU A 43 -13.084 13.456 7.124 1.00 0.00 C ATOM 546 CG GLU A 43 -13.174 14.039 8.527 1.00 0.00 C ATOM 547 CD GLU A 43 -11.832 14.091 9.235 1.00 0.00 C ATOM 548 OE1 GLU A 43 -10.835 14.498 8.599 1.00 0.00 O ATOM 549 OE2 GLU A 43 -11.780 13.728 10.428 1.00 0.00 O ATOM 0 H GLU A 43 -14.589 11.760 6.116 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.924 14.510 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.023 12.370 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.161 13.798 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.588 15.046 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.868 13.442 9.119 1.00 0.00 H new ATOM 556 N LEU A 44 -13.347 13.767 3.969 1.00 0.00 N ATOM 557 CA LEU A 44 -12.842 14.329 2.720 1.00 0.00 C ATOM 558 C LEU A 44 -13.674 13.851 1.527 1.00 0.00 C ATOM 559 O LEU A 44 -13.264 12.947 0.794 1.00 0.00 O ATOM 560 CB LEU A 44 -11.368 13.952 2.519 1.00 0.00 C ATOM 561 CG LEU A 44 -10.448 15.106 2.107 1.00 0.00 C ATOM 562 CD1 LEU A 44 -8.988 14.684 2.202 1.00 0.00 C ATOM 563 CD2 LEU A 44 -10.777 15.579 0.697 1.00 0.00 C ATOM 0 H LEU A 44 -13.353 12.747 4.000 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.924 15.414 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.990 13.521 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.310 13.173 1.759 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.612 15.937 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.349 15.516 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.758 14.397 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.810 13.836 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.112 16.399 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.644 14.755 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.811 15.923 0.660 1.00 0.00 H new ATOM 575 N PRO A 45 -14.862 14.457 1.313 1.00 0.00 N ATOM 576 CA PRO A 45 -15.751 14.095 0.200 1.00 0.00 C ATOM 577 C PRO A 45 -15.048 14.156 -1.157 1.00 0.00 C ATOM 578 O PRO A 45 -15.350 13.367 -2.052 1.00 0.00 O ATOM 579 CB PRO A 45 -16.861 15.146 0.269 1.00 0.00 C ATOM 580 CG PRO A 45 -16.860 15.608 1.683 1.00 0.00 C ATOM 581 CD PRO A 45 -15.430 15.541 2.138 1.00 0.00 C ATOM 0 HA PRO A 45 -16.108 13.069 0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.668 15.971 -0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -17.826 14.721 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.248 16.624 1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -17.496 14.975 2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.911 16.485 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.356 15.317 3.202 1.00 0.00 H new ATOM 589 N GLU A 46 -14.105 15.091 -1.301 1.00 0.00 N ATOM 590 CA GLU A 46 -13.359 15.244 -2.549 1.00 0.00 C ATOM 591 C GLU A 46 -12.550 13.985 -2.858 1.00 0.00 C ATOM 592 O GLU A 46 -12.454 13.570 -4.014 1.00 0.00 O ATOM 593 CB GLU A 46 -12.427 16.456 -2.470 1.00 0.00 C ATOM 594 CG GLU A 46 -13.126 17.783 -2.729 1.00 0.00 C ATOM 595 CD GLU A 46 -13.273 18.097 -4.210 1.00 0.00 C ATOM 596 OE1 GLU A 46 -12.336 17.798 -4.983 1.00 0.00 O ATOM 597 OE2 GLU A 46 -14.327 18.644 -4.596 1.00 0.00 O ATOM 0 H GLU A 46 -13.842 15.751 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.078 15.401 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.966 16.485 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.622 16.332 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.113 17.764 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.564 18.583 -2.247 1.00 0.00 H new ATOM 604 N TYR A 47 -11.983 13.373 -1.819 1.00 0.00 N ATOM 605 CA TYR A 47 -11.197 12.155 -1.983 1.00 0.00 C ATOM 606 C TYR A 47 -12.089 10.996 -2.425 1.00 0.00 C ATOM 607 O TYR A 47 -11.742 10.255 -3.342 1.00 0.00 O ATOM 608 CB TYR A 47 -10.486 11.798 -0.676 1.00 0.00 C ATOM 609 CG TYR A 47 -9.291 10.884 -0.857 1.00 0.00 C ATOM 610 CD1 TYR A 47 -9.452 9.570 -1.283 1.00 0.00 C ATOM 611 CD2 TYR A 47 -8.003 11.337 -0.601 1.00 0.00 C ATOM 612 CE1 TYR A 47 -8.364 8.734 -1.447 1.00 0.00 C ATOM 613 CE2 TYR A 47 -6.909 10.506 -0.762 1.00 0.00 C ATOM 614 CZ TYR A 47 -7.096 9.206 -1.186 1.00 0.00 C ATOM 615 OH TYR A 47 -6.009 8.376 -1.349 1.00 0.00 O ATOM 0 H TYR A 47 -12.054 13.702 -0.856 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.448 12.334 -2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.158 12.717 -0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.199 11.319 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.444 9.197 -1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.853 12.354 -0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.507 7.716 -1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.914 10.872 -0.557 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.189 8.863 -1.124 1.00 0.00 H new ATOM 625 N TYR A 48 -13.240 10.850 -1.765 1.00 0.00 N ATOM 626 CA TYR A 48 -14.185 9.781 -2.090 1.00 0.00 C ATOM 627 C TYR A 48 -14.659 9.884 -3.543 1.00 0.00 C ATOM 628 O TYR A 48 -14.786 8.871 -4.233 1.00 0.00 O ATOM 629 CB TYR A 48 -15.388 9.824 -1.142 1.00 0.00 C ATOM 630 CG TYR A 48 -16.297 8.616 -1.244 1.00 0.00 C ATOM 631 CD1 TYR A 48 -15.837 7.344 -0.920 1.00 0.00 C ATOM 632 CD2 TYR A 48 -17.616 8.749 -1.660 1.00 0.00 C ATOM 633 CE1 TYR A 48 -16.666 6.242 -1.007 1.00 0.00 C ATOM 634 CE2 TYR A 48 -18.450 7.651 -1.750 1.00 0.00 C ATOM 635 CZ TYR A 48 -17.971 6.401 -1.423 1.00 0.00 C ATOM 636 OH TYR A 48 -18.801 5.306 -1.506 1.00 0.00 O ATOM 0 H TYR A 48 -13.539 11.458 -1.003 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.668 8.830 -1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -15.027 9.909 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.970 10.722 -1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.815 7.216 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -17.996 9.727 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.294 5.261 -0.750 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -19.473 7.772 -2.075 1.00 0.00 H new ATOM 0 HH TYR A 48 -19.687 5.590 -1.814 1.00 0.00 H new ATOM 646 N GLU A 49 -14.919 11.111 -3.997 1.00 0.00 N ATOM 647 CA GLU A 49 -15.380 11.345 -5.367 1.00 0.00 C ATOM 648 C GLU A 49 -14.243 11.175 -6.373 1.00 0.00 C ATOM 649 O GLU A 49 -14.400 10.494 -7.386 1.00 0.00 O ATOM 650 CB GLU A 49 -15.985 12.746 -5.502 1.00 0.00 C ATOM 651 CG GLU A 49 -17.202 12.975 -4.620 1.00 0.00 C ATOM 652 CD GLU A 49 -17.784 14.371 -4.757 1.00 0.00 C ATOM 653 OE1 GLU A 49 -17.001 15.344 -4.799 1.00 0.00 O ATOM 654 OE2 GLU A 49 -19.026 14.491 -4.821 1.00 0.00 O ATOM 0 H GLU A 49 -14.818 11.958 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.147 10.602 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.224 13.486 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.265 12.912 -6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.969 12.242 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.926 12.803 -3.579 1.00 0.00 H new ATOM 661 N LEU A 50 -13.099 11.802 -6.089 1.00 0.00 N ATOM 662 CA LEU A 50 -11.937 11.723 -6.975 1.00 0.00 C ATOM 663 C LEU A 50 -11.422 10.289 -7.084 1.00 0.00 C ATOM 664 O LEU A 50 -11.472 9.682 -8.156 1.00 0.00 O ATOM 665 CB LEU A 50 -10.822 12.655 -6.481 1.00 0.00 C ATOM 666 CG LEU A 50 -9.549 12.663 -7.335 1.00 0.00 C ATOM 667 CD1 LEU A 50 -9.580 13.809 -8.335 1.00 0.00 C ATOM 668 CD2 LEU A 50 -8.314 12.759 -6.446 1.00 0.00 C ATOM 0 H LEU A 50 -12.953 12.369 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.250 12.045 -7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.214 13.671 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.556 12.368 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.502 11.727 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.667 13.797 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.443 13.696 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.651 14.756 -7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.418 12.764 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.356 13.679 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.284 11.903 -5.772 1.00 0.00 H new ATOM 680 N ILE A 51 -10.930 9.753 -5.971 1.00 0.00 N ATOM 681 CA ILE A 51 -10.409 8.390 -5.935 1.00 0.00 C ATOM 682 C ILE A 51 -11.425 7.438 -5.309 1.00 0.00 C ATOM 683 O ILE A 51 -11.684 7.493 -4.106 1.00 0.00 O ATOM 684 CB ILE A 51 -9.077 8.307 -5.149 1.00 0.00 C ATOM 685 CG1 ILE A 51 -8.081 9.356 -5.654 1.00 0.00 C ATOM 686 CG2 ILE A 51 -8.476 6.913 -5.260 1.00 0.00 C ATOM 687 CD1 ILE A 51 -7.034 9.744 -4.631 1.00 0.00 C ATOM 0 H ILE A 51 -10.881 10.244 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.221 8.093 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.290 8.512 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.582 8.972 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.629 10.248 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.541 6.874 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.174 6.182 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.283 6.683 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.365 10.490 -5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.523 10.159 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.460 8.863 -4.346 1.00 0.00 H new ATOM 699 N ARG A 52 -12.000 6.559 -6.134 1.00 0.00 N ATOM 700 CA ARG A 52 -12.991 5.592 -5.662 1.00 0.00 C ATOM 701 C ARG A 52 -12.328 4.302 -5.154 1.00 0.00 C ATOM 702 O ARG A 52 -12.897 3.214 -5.273 1.00 0.00 O ATOM 703 CB ARG A 52 -13.987 5.269 -6.784 1.00 0.00 C ATOM 704 CG ARG A 52 -15.320 4.729 -6.286 1.00 0.00 C ATOM 705 CD ARG A 52 -16.296 4.503 -7.431 1.00 0.00 C ATOM 706 NE ARG A 52 -17.220 5.625 -7.603 1.00 0.00 N ATOM 707 CZ ARG A 52 -17.925 5.849 -8.715 1.00 0.00 C ATOM 708 NH1 ARG A 52 -17.820 5.030 -9.759 1.00 0.00 N ATOM 709 NH2 ARG A 52 -18.741 6.895 -8.786 1.00 0.00 N ATOM 0 H ARG A 52 -11.796 6.498 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.524 6.042 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.167 6.171 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.538 4.538 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.158 3.791 -5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.753 5.429 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.739 4.349 -8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.865 3.592 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.332 6.276 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.197 4.223 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.362 5.209 -10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.829 7.528 -7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.279 7.065 -9.636 1.00 0.00 H new ATOM 723 N LYS A 53 -11.130 4.432 -4.576 1.00 0.00 N ATOM 724 CA LYS A 53 -10.401 3.282 -4.042 1.00 0.00 C ATOM 725 C LYS A 53 -9.497 3.696 -2.873 1.00 0.00 C ATOM 726 O LYS A 53 -8.293 3.427 -2.883 1.00 0.00 O ATOM 727 CB LYS A 53 -9.561 2.623 -5.144 1.00 0.00 C ATOM 728 CG LYS A 53 -10.384 1.939 -6.224 1.00 0.00 C ATOM 729 CD LYS A 53 -9.505 1.134 -7.169 1.00 0.00 C ATOM 730 CE LYS A 53 -10.240 -0.080 -7.717 1.00 0.00 C ATOM 731 NZ LYS A 53 -9.980 -0.280 -9.170 1.00 0.00 N ATOM 0 H LYS A 53 -10.646 5.323 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.133 2.563 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.930 3.381 -5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.895 1.889 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.119 1.281 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.938 2.688 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.181 1.768 -7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.606 0.810 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.931 -0.969 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.311 0.040 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.499 -1.117 -9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.298 0.558 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.961 -0.420 -9.324 1.00 0.00 H new ATOM 745 N PRO A 54 -10.067 4.358 -1.843 1.00 0.00 N ATOM 746 CA PRO A 54 -9.306 4.806 -0.669 1.00 0.00 C ATOM 747 C PRO A 54 -8.964 3.653 0.276 1.00 0.00 C ATOM 748 O PRO A 54 -9.712 3.360 1.212 1.00 0.00 O ATOM 749 CB PRO A 54 -10.255 5.795 0.008 1.00 0.00 C ATOM 750 CG PRO A 54 -11.619 5.333 -0.373 1.00 0.00 C ATOM 751 CD PRO A 54 -11.495 4.723 -1.744 1.00 0.00 C ATOM 0 HA PRO A 54 -8.344 5.239 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.124 5.792 1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.073 6.814 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.996 4.603 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.323 6.165 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.139 3.850 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.782 5.429 -2.523 1.00 0.00 H new ATOM 759 N VAL A 55 -7.830 3.001 0.023 1.00 0.00 N ATOM 760 CA VAL A 55 -7.394 1.881 0.851 1.00 0.00 C ATOM 761 C VAL A 55 -6.026 2.151 1.473 1.00 0.00 C ATOM 762 O VAL A 55 -5.144 2.731 0.836 1.00 0.00 O ATOM 763 CB VAL A 55 -7.341 0.561 0.051 1.00 0.00 C ATOM 764 CG1 VAL A 55 -8.741 0.144 -0.382 1.00 0.00 C ATOM 765 CG2 VAL A 55 -6.412 0.687 -1.150 1.00 0.00 C ATOM 0 H VAL A 55 -7.200 3.229 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.134 1.776 1.645 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.939 -0.216 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.685 -0.788 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.366 -0.001 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.174 0.922 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.393 -0.256 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.772 1.479 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.406 0.928 -0.808 1.00 0.00 H new ATOM 775 N ASP A 56 -5.866 1.725 2.723 1.00 0.00 N ATOM 776 CA ASP A 56 -4.615 1.914 3.457 1.00 0.00 C ATOM 777 C ASP A 56 -3.967 0.568 3.788 1.00 0.00 C ATOM 778 O ASP A 56 -4.602 -0.483 3.668 1.00 0.00 O ATOM 779 CB ASP A 56 -4.868 2.711 4.748 1.00 0.00 C ATOM 780 CG ASP A 56 -6.172 2.335 5.438 1.00 0.00 C ATOM 781 OD1 ASP A 56 -6.557 1.150 5.382 1.00 0.00 O ATOM 782 OD2 ASP A 56 -6.806 3.226 6.039 1.00 0.00 O ATOM 0 H ASP A 56 -6.592 1.243 3.253 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.931 2.477 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.039 2.547 5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.882 3.775 4.514 1.00 0.00 H new ATOM 787 N PHE A 57 -2.700 0.608 4.199 1.00 0.00 N ATOM 788 CA PHE A 57 -1.962 -0.609 4.540 1.00 0.00 C ATOM 789 C PHE A 57 -2.625 -1.373 5.685 1.00 0.00 C ATOM 790 O PHE A 57 -2.571 -2.602 5.722 1.00 0.00 O ATOM 791 CB PHE A 57 -0.508 -0.283 4.899 1.00 0.00 C ATOM 792 CG PHE A 57 0.502 -1.018 4.058 1.00 0.00 C ATOM 793 CD1 PHE A 57 0.803 -0.583 2.778 1.00 0.00 C ATOM 794 CD2 PHE A 57 1.147 -2.143 4.549 1.00 0.00 C ATOM 795 CE1 PHE A 57 1.729 -1.254 2.003 1.00 0.00 C ATOM 796 CE2 PHE A 57 2.075 -2.819 3.778 1.00 0.00 C ATOM 797 CZ PHE A 57 2.366 -2.373 2.503 1.00 0.00 C ATOM 0 H PHE A 57 -2.163 1.469 4.304 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.974 -1.249 3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.348 0.790 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.339 -0.525 5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.308 0.291 2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.922 -2.495 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.955 -0.904 1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.571 -3.694 4.172 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.090 -2.898 1.898 1.00 0.00 H new ATOM 807 N LYS A 58 -3.248 -0.648 6.612 1.00 0.00 N ATOM 808 CA LYS A 58 -3.920 -1.276 7.750 1.00 0.00 C ATOM 809 C LYS A 58 -5.017 -2.233 7.282 1.00 0.00 C ATOM 810 O LYS A 58 -5.114 -3.357 7.771 1.00 0.00 O ATOM 811 CB LYS A 58 -4.511 -0.212 8.681 1.00 0.00 C ATOM 812 CG LYS A 58 -5.431 0.764 7.974 1.00 0.00 C ATOM 813 CD LYS A 58 -5.791 1.944 8.864 1.00 0.00 C ATOM 814 CE LYS A 58 -7.123 1.726 9.561 1.00 0.00 C ATOM 815 NZ LYS A 58 -6.954 1.091 10.898 1.00 0.00 N ATOM 0 H LYS A 58 -3.302 0.370 6.599 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.176 -1.851 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.063 -0.706 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.698 0.342 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.948 1.127 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.341 0.249 7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.009 2.092 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.837 2.853 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.633 2.682 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.760 1.097 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.759 0.461 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.072 0.540 10.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.912 1.829 11.630 1.00 0.00 H new ATOM 829 N LYS A 59 -5.832 -1.781 6.329 1.00 0.00 N ATOM 830 CA LYS A 59 -6.915 -2.606 5.793 1.00 0.00 C ATOM 831 C LYS A 59 -6.353 -3.826 5.069 1.00 0.00 C ATOM 832 O LYS A 59 -6.826 -4.945 5.267 1.00 0.00 O ATOM 833 CB LYS A 59 -7.806 -1.794 4.842 1.00 0.00 C ATOM 834 CG LYS A 59 -9.133 -1.366 5.460 1.00 0.00 C ATOM 835 CD LYS A 59 -9.250 0.148 5.547 1.00 0.00 C ATOM 836 CE LYS A 59 -10.698 0.594 5.681 1.00 0.00 C ATOM 837 NZ LYS A 59 -11.062 0.890 7.095 1.00 0.00 N ATOM 0 H LYS A 59 -5.764 -0.852 5.914 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.524 -2.944 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.263 -0.906 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.006 -2.388 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.956 -1.761 4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.226 -1.796 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.678 0.509 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.811 0.599 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.862 1.482 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.355 -0.185 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.057 1.190 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.931 0.036 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.453 1.651 7.458 1.00 0.00 H new ATOM 851 N ILE A 60 -5.336 -3.605 4.235 1.00 0.00 N ATOM 852 CA ILE A 60 -4.706 -4.691 3.485 1.00 0.00 C ATOM 853 C ILE A 60 -4.017 -5.681 4.428 1.00 0.00 C ATOM 854 O ILE A 60 -4.231 -6.888 4.328 1.00 0.00 O ATOM 855 CB ILE A 60 -3.672 -4.159 2.464 1.00 0.00 C ATOM 856 CG1 ILE A 60 -4.290 -3.069 1.579 1.00 0.00 C ATOM 857 CG2 ILE A 60 -3.137 -5.299 1.605 1.00 0.00 C ATOM 858 CD1 ILE A 60 -3.325 -1.957 1.223 1.00 0.00 C ATOM 0 H ILE A 60 -4.932 -2.685 4.062 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.502 -5.200 2.942 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.842 -3.720 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.660 -3.525 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.151 -2.641 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.411 -4.908 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.656 -6.040 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.961 -5.765 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.831 -1.223 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.973 -1.475 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.475 -2.372 0.681 1.00 0.00 H new ATOM 870 N LYS A 61 -3.195 -5.160 5.344 1.00 0.00 N ATOM 871 CA LYS A 61 -2.478 -6.001 6.305 1.00 0.00 C ATOM 872 C LYS A 61 -3.451 -6.813 7.161 1.00 0.00 C ATOM 873 O LYS A 61 -3.217 -7.993 7.425 1.00 0.00 O ATOM 874 CB LYS A 61 -1.581 -5.142 7.207 1.00 0.00 C ATOM 875 CG LYS A 61 -0.311 -5.847 7.662 1.00 0.00 C ATOM 876 CD LYS A 61 0.055 -5.465 9.088 1.00 0.00 C ATOM 877 CE LYS A 61 1.425 -5.998 9.480 1.00 0.00 C ATOM 878 NZ LYS A 61 1.975 -5.294 10.675 1.00 0.00 N ATOM 0 H LYS A 61 -3.010 -4.161 5.440 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.855 -6.695 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.308 -4.232 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.150 -4.837 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.449 -6.926 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.510 -5.589 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.045 -4.380 9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.697 -5.855 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.353 -7.065 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.113 -5.883 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.909 -5.686 10.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.068 -4.279 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.332 -5.425 11.482 1.00 0.00 H new ATOM 892 N GLU A 62 -4.546 -6.178 7.582 1.00 0.00 N ATOM 893 CA GLU A 62 -5.554 -6.849 8.398 1.00 0.00 C ATOM 894 C GLU A 62 -6.335 -7.867 7.565 1.00 0.00 C ATOM 895 O GLU A 62 -6.623 -8.971 8.030 1.00 0.00 O ATOM 896 CB GLU A 62 -6.512 -5.824 9.017 1.00 0.00 C ATOM 897 CG GLU A 62 -7.095 -6.261 10.352 1.00 0.00 C ATOM 898 CD GLU A 62 -7.550 -5.092 11.206 1.00 0.00 C ATOM 899 OE1 GLU A 62 -6.702 -4.240 11.550 1.00 0.00 O ATOM 900 OE2 GLU A 62 -8.754 -5.029 11.533 1.00 0.00 O ATOM 0 H GLU A 62 -4.755 -5.202 7.371 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.043 -7.380 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.983 -4.881 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.327 -5.634 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.940 -6.926 10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.348 -6.835 10.899 1.00 0.00 H new ATOM 907 N ARG A 63 -6.673 -7.492 6.330 1.00 0.00 N ATOM 908 CA ARG A 63 -7.418 -8.376 5.435 1.00 0.00 C ATOM 909 C ARG A 63 -6.593 -9.607 5.060 1.00 0.00 C ATOM 910 O ARG A 63 -7.094 -10.731 5.107 1.00 0.00 O ATOM 911 CB ARG A 63 -7.844 -7.626 4.166 1.00 0.00 C ATOM 912 CG ARG A 63 -9.160 -6.880 4.312 1.00 0.00 C ATOM 913 CD ARG A 63 -9.223 -5.668 3.396 1.00 0.00 C ATOM 914 NE ARG A 63 -10.292 -4.749 3.776 1.00 0.00 N ATOM 915 CZ ARG A 63 -11.581 -4.928 3.469 1.00 0.00 C ATOM 916 NH1 ARG A 63 -11.969 -5.997 2.773 1.00 0.00 N ATOM 917 NH2 ARG A 63 -12.485 -4.038 3.860 1.00 0.00 N ATOM 0 H ARG A 63 -6.443 -6.583 5.928 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.309 -8.709 5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.062 -6.917 3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.929 -8.338 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.987 -7.552 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.285 -6.561 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.268 -5.144 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.377 -5.998 2.369 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.039 -3.917 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.280 -6.686 2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.954 -6.126 2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.196 -3.218 4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.469 -4.174 3.626 1.00 0.00 H new ATOM 931 N ILE A 64 -5.326 -9.391 4.693 1.00 0.00 N ATOM 932 CA ILE A 64 -4.442 -10.494 4.313 1.00 0.00 C ATOM 933 C ILE A 64 -4.185 -11.436 5.494 1.00 0.00 C ATOM 934 O ILE A 64 -3.908 -12.620 5.297 1.00 0.00 O ATOM 935 CB ILE A 64 -3.089 -10.002 3.741 1.00 0.00 C ATOM 936 CG1 ILE A 64 -2.292 -9.217 4.793 1.00 0.00 C ATOM 937 CG2 ILE A 64 -3.311 -9.156 2.491 1.00 0.00 C ATOM 938 CD1 ILE A 64 -0.838 -9.629 4.883 1.00 0.00 C ATOM 0 H ILE A 64 -4.893 -8.468 4.651 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.963 -11.038 3.525 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.503 -10.879 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.346 -8.154 4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.761 -9.353 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.349 -8.820 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.819 -9.753 1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.924 -8.290 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.337 -9.033 5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.775 -10.684 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.354 -9.467 3.920 1.00 0.00 H new ATOM 950 N ARG A 65 -4.291 -10.909 6.719 1.00 0.00 N ATOM 951 CA ARG A 65 -4.084 -11.714 7.924 1.00 0.00 C ATOM 952 C ARG A 65 -5.057 -12.895 7.961 1.00 0.00 C ATOM 953 O ARG A 65 -4.716 -13.976 8.444 1.00 0.00 O ATOM 954 CB ARG A 65 -4.259 -10.854 9.181 1.00 0.00 C ATOM 955 CG ARG A 65 -2.947 -10.474 9.851 1.00 0.00 C ATOM 956 CD ARG A 65 -2.691 -11.317 11.091 1.00 0.00 C ATOM 957 NE ARG A 65 -1.334 -11.862 11.116 1.00 0.00 N ATOM 958 CZ ARG A 65 -0.252 -11.167 11.481 1.00 0.00 C ATOM 959 NH1 ARG A 65 -0.359 -9.888 11.839 1.00 0.00 N ATOM 960 NH2 ARG A 65 0.940 -11.752 11.484 1.00 0.00 N ATOM 0 H ARG A 65 -4.518 -9.931 6.900 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.066 -12.102 7.900 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.798 -9.944 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.879 -11.394 9.897 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.126 -10.603 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.969 -9.419 10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.854 -10.710 11.981 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.410 -12.135 11.127 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.205 -12.835 10.837 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.271 -9.432 11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.472 -9.365 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.029 -12.730 11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.767 -11.223 11.762 1.00 0.00 H new ATOM 974 N ASN A 66 -6.266 -12.684 7.437 1.00 0.00 N ATOM 975 CA ASN A 66 -7.287 -13.730 7.398 1.00 0.00 C ATOM 976 C ASN A 66 -7.201 -14.554 6.105 1.00 0.00 C ATOM 977 O ASN A 66 -8.116 -15.315 5.789 1.00 0.00 O ATOM 978 CB ASN A 66 -8.681 -13.109 7.531 1.00 0.00 C ATOM 979 CG ASN A 66 -9.003 -12.704 8.957 1.00 0.00 C ATOM 980 OD1 ASN A 66 -8.534 -11.674 9.442 1.00 0.00 O ATOM 981 ND2 ASN A 66 -9.808 -13.515 9.639 1.00 0.00 N ATOM 0 H ASN A 66 -6.561 -11.795 7.033 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.108 -14.403 8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.749 -12.234 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.428 -13.822 7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.059 -13.293 10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.174 -14.359 9.198 1.00 0.00 H new ATOM 988 N HIS A 67 -6.099 -14.395 5.358 1.00 0.00 N ATOM 989 CA HIS A 67 -5.892 -15.117 4.103 1.00 0.00 C ATOM 990 C HIS A 67 -6.901 -14.679 3.040 1.00 0.00 C ATOM 991 O HIS A 67 -7.456 -15.506 2.313 1.00 0.00 O ATOM 992 CB HIS A 67 -5.970 -16.634 4.329 1.00 0.00 C ATOM 993 CG HIS A 67 -4.838 -17.175 5.145 1.00 0.00 C ATOM 994 ND1 HIS A 67 -4.608 -16.808 6.455 1.00 0.00 N ATOM 995 CD2 HIS A 67 -3.866 -18.060 4.829 1.00 0.00 C ATOM 996 CE1 HIS A 67 -3.543 -17.442 6.907 1.00 0.00 C ATOM 997 NE2 HIS A 67 -3.074 -18.209 5.940 1.00 0.00 N ATOM 0 H HIS A 67 -5.335 -13.767 5.607 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.894 -14.873 3.739 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.911 -16.872 4.825 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.983 -17.137 3.362 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.737 -18.557 3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.126 -17.349 7.899 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.256 -18.814 6.008 1.00 0.00 H new ATOM 1006 N LYS A 68 -7.121 -13.366 2.945 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.050 -12.813 1.960 1.00 0.00 C ATOM 1008 C LYS A 68 -7.414 -12.803 0.569 1.00 0.00 C ATOM 1009 O LYS A 68 -8.096 -13.016 -0.434 1.00 0.00 O ATOM 1010 CB LYS A 68 -8.468 -11.391 2.348 1.00 0.00 C ATOM 1011 CG LYS A 68 -9.740 -11.327 3.178 1.00 0.00 C ATOM 1012 CD LYS A 68 -10.943 -10.934 2.332 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.735 -12.153 1.879 1.00 0.00 C ATOM 1014 NZ LYS A 68 -11.541 -12.446 0.428 1.00 0.00 N ATOM 0 H LYS A 68 -6.670 -12.669 3.537 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.936 -13.447 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.657 -10.924 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.608 -10.804 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.922 -12.297 3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.612 -10.607 3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.591 -10.272 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.607 -10.374 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.432 -13.020 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.794 -11.989 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.099 -13.283 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.854 -11.630 -0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.534 -12.629 0.242 1.00 0.00 H new ATOM 1028 N TYR A 69 -6.103 -12.550 0.523 1.00 0.00 N ATOM 1029 CA TYR A 69 -5.364 -12.507 -0.737 1.00 0.00 C ATOM 1030 C TYR A 69 -4.547 -13.784 -0.939 1.00 0.00 C ATOM 1031 O TYR A 69 -4.468 -14.633 -0.047 1.00 0.00 O ATOM 1032 CB TYR A 69 -4.432 -11.291 -0.766 1.00 0.00 C ATOM 1033 CG TYR A 69 -5.149 -9.959 -0.828 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -5.779 -9.429 0.294 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -5.187 -9.224 -2.006 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -6.425 -8.209 0.242 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -5.829 -8.001 -2.066 1.00 0.00 C ATOM 1038 CZ TYR A 69 -6.447 -7.498 -0.940 1.00 0.00 C ATOM 1039 OH TYR A 69 -7.087 -6.279 -0.995 1.00 0.00 O ATOM 0 H TYR A 69 -5.532 -12.371 1.349 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.089 -12.426 -1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.801 -11.310 0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.771 -11.375 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.763 -9.981 1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.707 -9.615 -2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.910 -7.814 1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.847 -7.442 -2.990 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.689 -5.732 -1.704 1.00 0.00 H new ATOM 1049 N ARG A 70 -3.934 -13.905 -2.118 1.00 0.00 N ATOM 1050 CA ARG A 70 -3.111 -15.070 -2.452 1.00 0.00 C ATOM 1051 C ARG A 70 -2.291 -14.819 -3.720 1.00 0.00 C ATOM 1052 O ARG A 70 -1.102 -15.135 -3.771 1.00 0.00 O ATOM 1053 CB ARG A 70 -3.987 -16.313 -2.638 1.00 0.00 C ATOM 1054 CG ARG A 70 -3.957 -17.266 -1.451 1.00 0.00 C ATOM 1055 CD ARG A 70 -5.359 -17.573 -0.947 1.00 0.00 C ATOM 1056 NE ARG A 70 -5.516 -18.975 -0.555 1.00 0.00 N ATOM 1057 CZ ARG A 70 -6.697 -19.565 -0.345 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -7.829 -18.877 -0.471 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -6.748 -20.847 0.000 1.00 0.00 N ATOM 0 H ARG A 70 -3.992 -13.208 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.424 -15.240 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.016 -15.999 -2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.660 -16.847 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.462 -18.193 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.368 -16.827 -0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.584 -16.933 -0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.083 -17.333 -1.726 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.673 -19.536 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.800 -17.891 -0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.725 -19.336 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.886 -21.382 0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.649 -21.297 0.160 1.00 0.00 H new ATOM 1073 N SER A 71 -2.937 -14.250 -4.741 1.00 0.00 N ATOM 1074 CA SER A 71 -2.273 -13.955 -6.008 1.00 0.00 C ATOM 1075 C SER A 71 -1.396 -12.710 -5.894 1.00 0.00 C ATOM 1076 O SER A 71 -1.866 -11.646 -5.487 1.00 0.00 O ATOM 1077 CB SER A 71 -3.312 -13.754 -7.116 1.00 0.00 C ATOM 1078 OG SER A 71 -4.056 -14.941 -7.340 1.00 0.00 O ATOM 0 H SER A 71 -3.922 -13.985 -4.712 1.00 0.00 H new ATOM 0 HA SER A 71 -1.636 -14.804 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.988 -12.944 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.812 -13.455 -8.037 1.00 0.00 H new ATOM 0 HG SER A 71 -4.713 -14.786 -8.050 1.00 0.00 H new ATOM 1084 N LEU A 72 -0.119 -12.850 -6.261 1.00 0.00 N ATOM 1085 CA LEU A 72 0.826 -11.732 -6.206 1.00 0.00 C ATOM 1086 C LEU A 72 0.365 -10.569 -7.088 1.00 0.00 C ATOM 1087 O LEU A 72 0.619 -9.407 -6.769 1.00 0.00 O ATOM 1088 CB LEU A 72 2.225 -12.188 -6.635 1.00 0.00 C ATOM 1089 CG LEU A 72 3.091 -12.771 -5.513 1.00 0.00 C ATOM 1090 CD1 LEU A 72 4.269 -13.540 -6.093 1.00 0.00 C ATOM 1091 CD2 LEU A 72 3.574 -11.664 -4.586 1.00 0.00 C ATOM 0 H LEU A 72 0.283 -13.724 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 72 0.865 -11.384 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.121 -12.938 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.749 -11.338 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 72 2.484 -13.465 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.873 -13.947 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.900 -14.356 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.879 -12.869 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.188 -12.094 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.165 -10.946 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.715 -11.158 -4.145 1.00 0.00 H new ATOM 1103 N ASN A 73 -0.314 -10.887 -8.197 1.00 0.00 N ATOM 1104 CA ASN A 73 -0.812 -9.864 -9.119 1.00 0.00 C ATOM 1105 C ASN A 73 -1.740 -8.883 -8.404 1.00 0.00 C ATOM 1106 O ASN A 73 -1.637 -7.670 -8.595 1.00 0.00 O ATOM 1107 CB ASN A 73 -1.561 -10.512 -10.287 1.00 0.00 C ATOM 1108 CG ASN A 73 -0.641 -10.902 -11.428 1.00 0.00 C ATOM 1109 OD1 ASN A 73 0.253 -11.731 -11.261 1.00 0.00 O ATOM 1110 ND2 ASN A 73 -0.856 -10.307 -12.597 1.00 0.00 N ATOM 0 H ASN A 73 -0.530 -11.844 -8.476 1.00 0.00 H new ATOM 0 HA ASN A 73 0.050 -9.317 -9.501 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.086 -11.398 -9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.318 -9.820 -10.656 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.268 -10.532 -13.400 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.609 -9.625 -12.691 1.00 0.00 H new ATOM 1117 N ASP A 74 -2.645 -9.415 -7.584 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.592 -8.583 -6.842 1.00 0.00 C ATOM 1119 C ASP A 74 -2.856 -7.650 -5.882 1.00 0.00 C ATOM 1120 O ASP A 74 -3.125 -6.449 -5.846 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.587 -9.456 -6.075 1.00 0.00 C ATOM 1122 CG ASP A 74 -6.008 -8.940 -6.187 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -6.619 -9.116 -7.261 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -6.506 -8.354 -5.204 1.00 0.00 O ATOM 0 H ASP A 74 -2.743 -10.416 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.143 -7.974 -7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.542 -10.476 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.298 -9.495 -5.025 1.00 0.00 H new ATOM 1129 N LEU A 75 -1.917 -8.211 -5.117 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.126 -7.429 -4.167 1.00 0.00 C ATOM 1131 C LEU A 75 -0.350 -6.332 -4.894 1.00 0.00 C ATOM 1132 O LEU A 75 -0.356 -5.174 -4.476 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.155 -8.343 -3.406 1.00 0.00 C ATOM 1134 CG LEU A 75 0.226 -7.882 -1.993 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.090 -6.631 -2.045 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -1.018 -7.642 -1.150 1.00 0.00 C ATOM 0 H LEU A 75 -1.686 -9.204 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.805 -6.962 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.599 -9.336 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.757 -8.442 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 75 0.808 -8.676 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.347 -6.324 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.003 -6.842 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.540 -5.829 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.724 -7.316 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.631 -6.872 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.591 -8.566 -1.076 1.00 0.00 H new ATOM 1148 N GLU A 76 0.314 -6.710 -5.989 1.00 0.00 N ATOM 1149 CA GLU A 76 1.096 -5.767 -6.786 1.00 0.00 C ATOM 1150 C GLU A 76 0.225 -4.611 -7.271 1.00 0.00 C ATOM 1151 O GLU A 76 0.594 -3.444 -7.130 1.00 0.00 O ATOM 1152 CB GLU A 76 1.716 -6.482 -7.988 1.00 0.00 C ATOM 1153 CG GLU A 76 2.549 -5.578 -8.882 1.00 0.00 C ATOM 1154 CD GLU A 76 2.812 -6.194 -10.242 1.00 0.00 C ATOM 1155 OE1 GLU A 76 1.918 -6.118 -11.110 1.00 0.00 O ATOM 1156 OE2 GLU A 76 3.911 -6.755 -10.435 1.00 0.00 O ATOM 0 H GLU A 76 0.324 -7.666 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 76 1.888 -5.365 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.343 -7.298 -7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.919 -6.930 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.035 -4.625 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.499 -5.364 -8.393 1.00 0.00 H new ATOM 1163 N LYS A 77 -0.934 -4.945 -7.843 1.00 0.00 N ATOM 1164 CA LYS A 77 -1.860 -3.934 -8.348 1.00 0.00 C ATOM 1165 C LYS A 77 -2.322 -2.999 -7.232 1.00 0.00 C ATOM 1166 O LYS A 77 -2.414 -1.788 -7.431 1.00 0.00 O ATOM 1167 CB LYS A 77 -3.075 -4.598 -9.001 1.00 0.00 C ATOM 1168 CG LYS A 77 -2.867 -4.949 -10.466 1.00 0.00 C ATOM 1169 CD LYS A 77 -3.472 -6.302 -10.813 1.00 0.00 C ATOM 1170 CE LYS A 77 -4.972 -6.204 -11.052 1.00 0.00 C ATOM 1171 NZ LYS A 77 -5.748 -6.205 -9.777 1.00 0.00 N ATOM 0 H LYS A 77 -1.251 -5.906 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.329 -3.344 -9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.321 -5.506 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.933 -3.931 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.316 -4.178 -11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.800 -4.959 -10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.987 -6.700 -11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.278 -7.006 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.191 -5.292 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.295 -7.040 -11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.748 -6.409 -9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.368 -6.934 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.670 -5.273 -9.322 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.615 -3.567 -6.060 1.00 0.00 N ATOM 1186 CA ASP A 78 -3.073 -2.778 -4.920 1.00 0.00 C ATOM 1187 C ASP A 78 -2.000 -1.800 -4.452 1.00 0.00 C ATOM 1188 O ASP A 78 -2.284 -0.624 -4.219 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.489 -3.690 -3.757 1.00 0.00 C ATOM 1190 CG ASP A 78 -4.980 -3.977 -3.747 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -5.772 -3.028 -3.936 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -5.356 -5.151 -3.547 1.00 0.00 O ATOM 0 H ASP A 78 -2.543 -4.568 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.940 -2.205 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.942 -4.630 -3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.206 -3.222 -2.814 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.768 -2.287 -4.317 1.00 0.00 N ATOM 1198 CA VAL A 79 0.339 -1.445 -3.874 1.00 0.00 C ATOM 1199 C VAL A 79 0.637 -0.342 -4.891 1.00 0.00 C ATOM 1200 O VAL A 79 0.807 0.821 -4.521 1.00 0.00 O ATOM 1201 CB VAL A 79 1.623 -2.266 -3.630 1.00 0.00 C ATOM 1202 CG1 VAL A 79 2.717 -1.380 -3.052 1.00 0.00 C ATOM 1203 CG2 VAL A 79 1.343 -3.449 -2.710 1.00 0.00 C ATOM 0 H VAL A 79 -0.513 -3.256 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 79 0.027 -0.994 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 79 1.967 -2.658 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.616 -1.974 -2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.939 -0.573 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.381 -0.958 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.262 -4.013 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.972 -3.085 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.594 -4.096 -3.167 1.00 0.00 H new ATOM 1213 N MET A 80 0.695 -0.713 -6.171 1.00 0.00 N ATOM 1214 CA MET A 80 0.970 0.249 -7.237 1.00 0.00 C ATOM 1215 C MET A 80 -0.133 1.308 -7.316 1.00 0.00 C ATOM 1216 O MET A 80 0.151 2.502 -7.416 1.00 0.00 O ATOM 1217 CB MET A 80 1.114 -0.469 -8.583 1.00 0.00 C ATOM 1218 CG MET A 80 2.383 -1.302 -8.701 1.00 0.00 C ATOM 1219 SD MET A 80 2.572 -2.048 -10.332 1.00 0.00 S ATOM 1220 CE MET A 80 4.136 -2.904 -10.140 1.00 0.00 C ATOM 0 H MET A 80 0.555 -1.671 -6.493 1.00 0.00 H new ATOM 0 HA MET A 80 1.910 0.751 -7.005 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.250 -1.116 -8.733 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.101 0.271 -9.383 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.248 -0.672 -8.491 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.369 -2.087 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.176 -3.748 -10.829 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.955 -2.219 -10.358 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.229 -3.267 -9.116 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.390 0.862 -7.260 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.536 1.771 -7.315 1.00 0.00 C ATOM 1232 C LEU A 81 -2.523 2.741 -6.131 1.00 0.00 C ATOM 1233 O LEU A 81 -2.828 3.924 -6.286 1.00 0.00 O ATOM 1234 CB LEU A 81 -3.847 0.973 -7.322 1.00 0.00 C ATOM 1235 CG LEU A 81 -5.025 1.641 -8.038 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -6.194 0.674 -8.146 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -5.449 2.908 -7.309 1.00 0.00 C ATOM 0 H LEU A 81 -1.640 -0.123 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.464 2.350 -8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.661 0.007 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.137 0.776 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.706 1.916 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.024 1.162 -8.657 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.887 -0.206 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.510 0.372 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.287 3.367 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.751 2.659 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.613 3.607 -7.278 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.159 2.233 -4.951 1.00 0.00 N ATOM 1250 CA LEU A 82 -2.101 3.055 -3.743 1.00 0.00 C ATOM 1251 C LEU A 82 -1.112 4.205 -3.917 1.00 0.00 C ATOM 1252 O LEU A 82 -1.401 5.343 -3.546 1.00 0.00 O ATOM 1253 CB LEU A 82 -1.702 2.204 -2.532 1.00 0.00 C ATOM 1254 CG LEU A 82 -2.561 2.408 -1.281 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -2.727 1.094 -0.531 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -1.948 3.472 -0.379 1.00 0.00 C ATOM 0 H LEU A 82 -1.900 1.257 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.094 3.471 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.746 1.153 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.664 2.423 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.548 2.752 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.340 1.256 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.212 0.364 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.748 0.720 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.572 3.603 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.949 3.160 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.884 4.415 -0.921 1.00 0.00 H new ATOM 1268 N CYS A 83 0.052 3.900 -4.493 1.00 0.00 N ATOM 1269 CA CYS A 83 1.081 4.912 -4.726 1.00 0.00 C ATOM 1270 C CYS A 83 0.567 6.000 -5.667 1.00 0.00 C ATOM 1271 O CYS A 83 0.781 7.189 -5.429 1.00 0.00 O ATOM 1272 CB CYS A 83 2.345 4.274 -5.308 1.00 0.00 C ATOM 1273 SG CYS A 83 3.887 4.915 -4.613 1.00 0.00 S ATOM 0 H CYS A 83 0.304 2.962 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 83 1.327 5.367 -3.767 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.305 3.198 -5.142 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.353 4.430 -6.387 1.00 0.00 H new ATOM 0 HG CYS A 83 4.897 4.312 -5.168 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.116 5.583 -6.734 1.00 0.00 N ATOM 1280 CA GLN A 84 -0.667 6.524 -7.708 1.00 0.00 C ATOM 1281 C GLN A 84 -1.755 7.390 -7.078 1.00 0.00 C ATOM 1282 O GLN A 84 -1.863 8.577 -7.386 1.00 0.00 O ATOM 1283 CB GLN A 84 -1.234 5.780 -8.916 1.00 0.00 C ATOM 1284 CG GLN A 84 -0.180 5.068 -9.749 1.00 0.00 C ATOM 1285 CD GLN A 84 -0.404 5.223 -11.243 1.00 0.00 C ATOM 1286 OE1 GLN A 84 -1.447 5.712 -11.682 1.00 0.00 O ATOM 1287 NE2 GLN A 84 0.575 4.803 -12.036 1.00 0.00 N ATOM 0 H GLN A 84 -0.300 4.602 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 84 0.145 7.171 -8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.965 5.049 -8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.767 6.489 -9.550 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.804 5.459 -9.492 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.178 4.008 -9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.423 4.404 -11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.479 4.879 -13.049 1.00 0.00 H new ATOM 1296 N ASN A 85 -2.555 6.793 -6.189 1.00 0.00 N ATOM 1297 CA ASN A 85 -3.630 7.520 -5.513 1.00 0.00 C ATOM 1298 C ASN A 85 -3.067 8.670 -4.677 1.00 0.00 C ATOM 1299 O ASN A 85 -3.696 9.721 -4.551 1.00 0.00 O ATOM 1300 CB ASN A 85 -4.445 6.578 -4.621 1.00 0.00 C ATOM 1301 CG ASN A 85 -5.416 5.713 -5.407 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -5.613 5.911 -6.607 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -6.035 4.749 -4.733 1.00 0.00 N ATOM 0 H ASN A 85 -2.478 5.811 -5.922 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.286 7.933 -6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.765 5.936 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.000 7.167 -3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.701 4.141 -5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.844 4.618 -3.740 1.00 0.00 H new ATOM 1310 N ALA A 86 -1.874 8.466 -4.113 1.00 0.00 N ATOM 1311 CA ALA A 86 -1.225 9.490 -3.304 1.00 0.00 C ATOM 1312 C ALA A 86 -0.738 10.643 -4.178 1.00 0.00 C ATOM 1313 O ALA A 86 -0.858 11.809 -3.804 1.00 0.00 O ATOM 1314 CB ALA A 86 -0.063 8.896 -2.519 1.00 0.00 C ATOM 0 H ALA A 86 -1.342 7.601 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.959 9.879 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.409 9.676 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.432 8.109 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.668 8.478 -3.211 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.187 10.308 -5.345 1.00 0.00 N ATOM 1321 CA GLN A 87 0.319 11.316 -6.273 1.00 0.00 C ATOM 1322 C GLN A 87 -0.818 12.102 -6.932 1.00 0.00 C ATOM 1323 O GLN A 87 -0.670 13.293 -7.203 1.00 0.00 O ATOM 1324 CB GLN A 87 1.200 10.666 -7.339 1.00 0.00 C ATOM 1325 CG GLN A 87 2.662 10.571 -6.933 1.00 0.00 C ATOM 1326 CD GLN A 87 3.539 9.994 -8.028 1.00 0.00 C ATOM 1327 OE1 GLN A 87 4.020 10.718 -8.901 1.00 0.00 O ATOM 1328 NE2 GLN A 87 3.751 8.684 -7.986 1.00 0.00 N ATOM 0 H GLN A 87 -0.080 9.347 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 87 0.919 12.021 -5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.823 9.666 -7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.123 11.239 -8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.026 11.563 -6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.747 9.951 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.332 8.123 -7.244 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.333 8.238 -8.696 1.00 0.00 H new ATOM 1337 N THR A 88 -1.951 11.441 -7.188 1.00 0.00 N ATOM 1338 CA THR A 88 -3.095 12.111 -7.812 1.00 0.00 C ATOM 1339 C THR A 88 -3.664 13.198 -6.898 1.00 0.00 C ATOM 1340 O THR A 88 -4.201 14.199 -7.377 1.00 0.00 O ATOM 1341 CB THR A 88 -4.196 11.105 -8.176 1.00 0.00 C ATOM 1342 OG1 THR A 88 -4.425 10.194 -7.118 1.00 0.00 O ATOM 1343 CG2 THR A 88 -3.885 10.297 -9.416 1.00 0.00 C ATOM 0 H THR A 88 -2.100 10.454 -6.976 1.00 0.00 H new ATOM 0 HA THR A 88 -2.736 12.580 -8.728 1.00 0.00 H new ATOM 0 HB THR A 88 -5.080 11.713 -8.368 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.014 10.537 -6.297 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.704 9.606 -9.615 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.761 10.968 -10.266 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.965 9.733 -9.262 1.00 0.00 H new ATOM 1351 N PHE A 89 -3.544 13.002 -5.583 1.00 0.00 N ATOM 1352 CA PHE A 89 -4.045 13.973 -4.611 1.00 0.00 C ATOM 1353 C PHE A 89 -2.938 14.934 -4.161 1.00 0.00 C ATOM 1354 O PHE A 89 -3.171 16.136 -4.026 1.00 0.00 O ATOM 1355 CB PHE A 89 -4.639 13.251 -3.398 1.00 0.00 C ATOM 1356 CG PHE A 89 -5.836 13.945 -2.801 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -7.095 13.795 -3.364 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -5.702 14.743 -1.675 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -8.196 14.428 -2.816 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -6.799 15.378 -1.123 1.00 0.00 C ATOM 1361 CZ PHE A 89 -8.047 15.220 -1.694 1.00 0.00 C ATOM 0 H PHE A 89 -3.105 12.180 -5.168 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.825 14.560 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.926 12.242 -3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.869 13.153 -2.633 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.217 13.176 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.729 14.870 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.171 14.303 -3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.680 15.997 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.905 15.715 -1.264 1.00 0.00 H new ATOM 1371 N ASN A 90 -1.737 14.398 -3.925 1.00 0.00 N ATOM 1372 CA ASN A 90 -0.600 15.210 -3.483 1.00 0.00 C ATOM 1373 C ASN A 90 0.082 15.906 -4.662 1.00 0.00 C ATOM 1374 O ASN A 90 0.255 15.316 -5.729 1.00 0.00 O ATOM 1375 CB ASN A 90 0.420 14.346 -2.732 1.00 0.00 C ATOM 1376 CG ASN A 90 -0.163 13.704 -1.483 1.00 0.00 C ATOM 1377 OD1 ASN A 90 -1.232 14.091 -1.012 1.00 0.00 O ATOM 1378 ND2 ASN A 90 0.541 12.718 -0.936 1.00 0.00 N ATOM 0 H ASN A 90 -1.527 13.406 -4.033 1.00 0.00 H new ATOM 0 HA ASN A 90 -0.987 15.975 -2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.790 13.566 -3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.276 14.961 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.199 12.253 -0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.423 12.427 -1.357 1.00 0.00 H new ATOM 1385 N LEU A 91 0.473 17.163 -4.452 1.00 0.00 N ATOM 1386 CA LEU A 91 1.143 17.948 -5.489 1.00 0.00 C ATOM 1387 C LEU A 91 2.663 17.896 -5.326 1.00 0.00 C ATOM 1388 O LEU A 91 3.179 17.255 -4.406 1.00 0.00 O ATOM 1389 CB LEU A 91 0.661 19.403 -5.444 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.614 19.690 -6.243 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -1.837 19.611 -5.342 1.00 0.00 C ATOM 1392 CD2 LEU A 91 -0.527 21.053 -6.915 1.00 0.00 C ATOM 0 H LEU A 91 0.337 17.660 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 91 0.889 17.515 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.490 19.681 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.458 20.045 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.713 18.932 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.734 19.818 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.907 18.612 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.748 20.346 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.441 21.240 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.404 21.826 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.327 21.071 -7.593 1.00 0.00 H new ATOM 1404 N GLU A 92 3.375 18.576 -6.229 1.00 0.00 N ATOM 1405 CA GLU A 92 4.834 18.611 -6.199 1.00 0.00 C ATOM 1406 C GLU A 92 5.338 19.413 -5.004 1.00 0.00 C ATOM 1407 O GLU A 92 4.899 20.540 -4.763 1.00 0.00 O ATOM 1408 CB GLU A 92 5.384 19.214 -7.500 1.00 0.00 C ATOM 1409 CG GLU A 92 4.798 18.600 -8.763 1.00 0.00 C ATOM 1410 CD GLU A 92 5.248 19.317 -10.021 1.00 0.00 C ATOM 1411 OE1 GLU A 92 4.648 20.361 -10.356 1.00 0.00 O ATOM 1412 OE2 GLU A 92 6.202 18.839 -10.667 1.00 0.00 O ATOM 0 H GLU A 92 2.959 19.111 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 92 5.190 17.585 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.186 20.286 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.467 19.090 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.090 17.551 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.710 18.625 -8.704 1.00 0.00 H new ATOM 1419 N GLY A 93 6.265 18.815 -4.262 1.00 0.00 N ATOM 1420 CA GLY A 93 6.832 19.468 -3.096 1.00 0.00 C ATOM 1421 C GLY A 93 6.110 19.095 -1.815 1.00 0.00 C ATOM 1422 O GLY A 93 5.347 19.895 -1.272 1.00 0.00 O ATOM 0 H GLY A 93 6.636 17.883 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.885 19.199 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.790 20.549 -3.232 1.00 0.00 H new ATOM 1426 N SER A 94 6.347 17.876 -1.332 1.00 0.00 N ATOM 1427 CA SER A 94 5.707 17.401 -0.108 1.00 0.00 C ATOM 1428 C SER A 94 6.405 16.152 0.432 1.00 0.00 C ATOM 1429 O SER A 94 7.014 15.394 -0.326 1.00 0.00 O ATOM 1430 CB SER A 94 4.222 17.108 -0.361 1.00 0.00 C ATOM 1431 OG SER A 94 4.017 16.525 -1.639 1.00 0.00 O ATOM 0 H SER A 94 6.976 17.202 -1.769 1.00 0.00 H new ATOM 0 HA SER A 94 5.791 18.188 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.846 16.437 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.650 18.033 -0.286 1.00 0.00 H new ATOM 0 HG SER A 94 3.690 17.208 -2.261 1.00 0.00 H new ATOM 1437 N LEU A 95 6.312 15.948 1.748 1.00 0.00 N ATOM 1438 CA LEU A 95 6.936 14.792 2.395 1.00 0.00 C ATOM 1439 C LEU A 95 6.367 13.486 1.847 1.00 0.00 C ATOM 1440 O LEU A 95 7.117 12.565 1.525 1.00 0.00 O ATOM 1441 CB LEU A 95 6.736 14.847 3.918 1.00 0.00 C ATOM 1442 CG LEU A 95 7.760 15.691 4.683 1.00 0.00 C ATOM 1443 CD1 LEU A 95 7.602 17.168 4.344 1.00 0.00 C ATOM 1444 CD2 LEU A 95 7.616 15.467 6.184 1.00 0.00 C ATOM 0 H LEU A 95 5.811 16.567 2.385 1.00 0.00 H new ATOM 0 HA LEU A 95 8.003 14.827 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.740 15.240 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.764 13.830 4.308 1.00 0.00 H new ATOM 0 HG LEU A 95 8.759 15.378 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.339 17.749 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.754 17.314 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.600 17.499 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.350 16.073 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.613 15.753 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.782 14.414 6.412 1.00 0.00 H new ATOM 1456 N ILE A 96 5.040 13.413 1.740 1.00 0.00 N ATOM 1457 CA ILE A 96 4.378 12.214 1.226 1.00 0.00 C ATOM 1458 C ILE A 96 4.802 11.927 -0.214 1.00 0.00 C ATOM 1459 O ILE A 96 5.014 10.770 -0.585 1.00 0.00 O ATOM 1460 CB ILE A 96 2.838 12.325 1.288 1.00 0.00 C ATOM 1461 CG1 ILE A 96 2.386 12.873 2.647 1.00 0.00 C ATOM 1462 CG2 ILE A 96 2.203 10.967 1.023 1.00 0.00 C ATOM 1463 CD1 ILE A 96 2.011 14.340 2.612 1.00 0.00 C ATOM 0 H ILE A 96 4.405 14.167 2.001 1.00 0.00 H new ATOM 0 HA ILE A 96 4.690 11.391 1.870 1.00 0.00 H new ATOM 0 HB ILE A 96 2.511 13.022 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.530 12.296 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.186 12.728 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.118 11.058 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.496 10.615 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.540 10.255 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.701 14.660 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.872 14.928 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.190 14.489 1.911 1.00 0.00 H new ATOM 1475 N TYR A 97 4.930 12.984 -1.018 1.00 0.00 N ATOM 1476 CA TYR A 97 5.339 12.839 -2.413 1.00 0.00 C ATOM 1477 C TYR A 97 6.727 12.207 -2.505 1.00 0.00 C ATOM 1478 O TYR A 97 6.949 11.295 -3.300 1.00 0.00 O ATOM 1479 CB TYR A 97 5.336 14.194 -3.122 1.00 0.00 C ATOM 1480 CG TYR A 97 5.302 14.090 -4.631 1.00 0.00 C ATOM 1481 CD1 TYR A 97 6.472 13.927 -5.365 1.00 0.00 C ATOM 1482 CD2 TYR A 97 4.099 14.159 -5.323 1.00 0.00 C ATOM 1483 CE1 TYR A 97 6.443 13.835 -6.743 1.00 0.00 C ATOM 1484 CE2 TYR A 97 4.062 14.068 -6.700 1.00 0.00 C ATOM 1485 CZ TYR A 97 5.237 13.905 -7.406 1.00 0.00 C ATOM 1486 OH TYR A 97 5.203 13.814 -8.778 1.00 0.00 O ATOM 0 H TYR A 97 4.757 13.946 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 97 4.621 12.184 -2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.472 14.768 -2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.224 14.752 -2.825 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.419 13.871 -4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.177 14.286 -4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.361 13.709 -7.298 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.118 14.124 -7.222 1.00 0.00 H new ATOM 0 HH TYR A 97 4.882 12.926 -9.039 1.00 0.00 H new ATOM 1496 N GLU A 98 7.658 12.690 -1.677 1.00 0.00 N ATOM 1497 CA GLU A 98 9.020 12.160 -1.665 1.00 0.00 C ATOM 1498 C GLU A 98 9.020 10.682 -1.280 1.00 0.00 C ATOM 1499 O GLU A 98 9.729 9.874 -1.883 1.00 0.00 O ATOM 1500 CB GLU A 98 9.899 12.957 -0.698 1.00 0.00 C ATOM 1501 CG GLU A 98 10.431 14.250 -1.297 1.00 0.00 C ATOM 1502 CD GLU A 98 11.945 14.275 -1.388 1.00 0.00 C ATOM 1503 OE1 GLU A 98 12.513 13.411 -2.092 1.00 0.00 O ATOM 1504 OE2 GLU A 98 12.562 15.159 -0.759 1.00 0.00 O ATOM 0 H GLU A 98 7.492 13.444 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 98 9.431 12.257 -2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.324 13.189 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.739 12.337 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.009 14.384 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.094 15.091 -0.692 1.00 0.00 H new ATOM 1511 N ASP A 99 8.206 10.339 -0.281 1.00 0.00 N ATOM 1512 CA ASP A 99 8.088 8.958 0.187 1.00 0.00 C ATOM 1513 C ASP A 99 7.648 8.045 -0.957 1.00 0.00 C ATOM 1514 O ASP A 99 8.162 6.935 -1.114 1.00 0.00 O ATOM 1515 CB ASP A 99 7.073 8.866 1.338 1.00 0.00 C ATOM 1516 CG ASP A 99 7.506 9.604 2.598 1.00 0.00 C ATOM 1517 OD1 ASP A 99 8.475 10.388 2.540 1.00 0.00 O ATOM 1518 OD2 ASP A 99 6.864 9.399 3.647 1.00 0.00 O ATOM 0 H ASP A 99 7.616 11.002 0.222 1.00 0.00 H new ATOM 0 HA ASP A 99 9.065 8.635 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.118 9.270 1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.907 7.816 1.581 1.00 0.00 H new ATOM 1523 N SER A 100 6.694 8.532 -1.756 1.00 0.00 N ATOM 1524 CA SER A 100 6.173 7.783 -2.898 1.00 0.00 C ATOM 1525 C SER A 100 7.285 7.463 -3.898 1.00 0.00 C ATOM 1526 O SER A 100 7.319 6.371 -4.467 1.00 0.00 O ATOM 1527 CB SER A 100 5.057 8.582 -3.585 1.00 0.00 C ATOM 1528 OG SER A 100 4.586 7.922 -4.749 1.00 0.00 O ATOM 0 H SER A 100 6.266 9.449 -1.629 1.00 0.00 H new ATOM 0 HA SER A 100 5.765 6.841 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.231 8.728 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.428 9.572 -3.852 1.00 0.00 H new ATOM 0 HG SER A 100 4.488 6.964 -4.565 1.00 0.00 H new ATOM 1534 N ILE A 101 8.193 8.419 -4.109 1.00 0.00 N ATOM 1535 CA ILE A 101 9.302 8.226 -5.042 1.00 0.00 C ATOM 1536 C ILE A 101 10.219 7.093 -4.583 1.00 0.00 C ATOM 1537 O ILE A 101 10.569 6.213 -5.370 1.00 0.00 O ATOM 1538 CB ILE A 101 10.139 9.513 -5.225 1.00 0.00 C ATOM 1539 CG1 ILE A 101 9.240 10.692 -5.612 1.00 0.00 C ATOM 1540 CG2 ILE A 101 11.212 9.298 -6.284 1.00 0.00 C ATOM 1541 CD1 ILE A 101 9.925 12.037 -5.509 1.00 0.00 C ATOM 0 H ILE A 101 8.181 9.329 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 101 8.854 7.965 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 101 10.623 9.746 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.889 10.550 -6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.359 10.692 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.794 10.212 -6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 101 11.870 8.486 -5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.741 9.042 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.228 12.823 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.252 12.201 -4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.790 12.057 -6.172 1.00 0.00 H new ATOM 1553 N VAL A 102 10.602 7.119 -3.306 1.00 0.00 N ATOM 1554 CA VAL A 102 11.478 6.088 -2.749 1.00 0.00 C ATOM 1555 C VAL A 102 10.835 4.706 -2.856 1.00 0.00 C ATOM 1556 O VAL A 102 11.470 3.751 -3.309 1.00 0.00 O ATOM 1557 CB VAL A 102 11.827 6.367 -1.270 1.00 0.00 C ATOM 1558 CG1 VAL A 102 12.864 5.370 -0.770 1.00 0.00 C ATOM 1559 CG2 VAL A 102 12.318 7.798 -1.088 1.00 0.00 C ATOM 0 H VAL A 102 10.321 7.839 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 102 12.397 6.110 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 102 10.921 6.246 -0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.098 5.581 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.467 4.358 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.770 5.456 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.557 7.970 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.210 7.957 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.539 8.493 -1.401 1.00 0.00 H new ATOM 1569 N LEU A 103 9.572 4.609 -2.441 1.00 0.00 N ATOM 1570 CA LEU A 103 8.839 3.346 -2.493 1.00 0.00 C ATOM 1571 C LEU A 103 8.728 2.834 -3.927 1.00 0.00 C ATOM 1572 O LEU A 103 8.836 1.633 -4.171 1.00 0.00 O ATOM 1573 CB LEU A 103 7.442 3.512 -1.890 1.00 0.00 C ATOM 1574 CG LEU A 103 7.251 2.870 -0.515 1.00 0.00 C ATOM 1575 CD1 LEU A 103 7.591 3.859 0.592 1.00 0.00 C ATOM 1576 CD2 LEU A 103 5.825 2.356 -0.364 1.00 0.00 C ATOM 0 H LEU A 103 9.036 5.391 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 103 9.395 2.614 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.221 4.576 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.713 3.085 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 103 7.932 2.023 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.449 3.383 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.630 4.174 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.939 4.729 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.704 1.902 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.126 3.186 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.623 1.612 -1.135 1.00 0.00 H new ATOM 1588 N GLN A 104 8.519 3.753 -4.872 1.00 0.00 N ATOM 1589 CA GLN A 104 8.401 3.392 -6.282 1.00 0.00 C ATOM 1590 C GLN A 104 9.666 2.683 -6.768 1.00 0.00 C ATOM 1591 O GLN A 104 9.589 1.661 -7.450 1.00 0.00 O ATOM 1592 CB GLN A 104 8.146 4.640 -7.134 1.00 0.00 C ATOM 1593 CG GLN A 104 7.302 4.374 -8.371 1.00 0.00 C ATOM 1594 CD GLN A 104 5.848 4.758 -8.178 1.00 0.00 C ATOM 1595 OE1 GLN A 104 5.466 5.912 -8.377 1.00 0.00 O ATOM 1596 NE2 GLN A 104 5.026 3.791 -7.786 1.00 0.00 N ATOM 0 H GLN A 104 8.428 4.751 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 104 7.556 2.711 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 104 7.649 5.392 -6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 104 9.103 5.061 -7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.712 4.931 -9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.364 3.317 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.384 2.848 -7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.037 3.991 -7.639 1.00 0.00 H new ATOM 1605 N SER A 105 10.829 3.234 -6.411 1.00 0.00 N ATOM 1606 CA SER A 105 12.111 2.654 -6.811 1.00 0.00 C ATOM 1607 C SER A 105 12.316 1.275 -6.180 1.00 0.00 C ATOM 1608 O SER A 105 12.669 0.316 -6.871 1.00 0.00 O ATOM 1609 CB SER A 105 13.264 3.587 -6.418 1.00 0.00 C ATOM 1610 OG SER A 105 14.278 3.592 -7.406 1.00 0.00 O ATOM 0 H SER A 105 10.908 4.080 -5.846 1.00 0.00 H new ATOM 0 HA SER A 105 12.101 2.535 -7.894 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.885 4.599 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.684 3.269 -5.464 1.00 0.00 H new ATOM 0 HG SER A 105 14.999 4.196 -7.131 1.00 0.00 H new ATOM 1616 N VAL A 106 12.090 1.180 -4.868 1.00 0.00 N ATOM 1617 CA VAL A 106 12.255 -0.087 -4.153 1.00 0.00 C ATOM 1618 C VAL A 106 11.274 -1.143 -4.665 1.00 0.00 C ATOM 1619 O VAL A 106 11.648 -2.301 -4.866 1.00 0.00 O ATOM 1620 CB VAL A 106 12.069 0.076 -2.626 1.00 0.00 C ATOM 1621 CG1 VAL A 106 12.475 -1.201 -1.902 1.00 0.00 C ATOM 1622 CG2 VAL A 106 12.864 1.267 -2.100 1.00 0.00 C ATOM 0 H VAL A 106 11.794 1.961 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 106 13.277 -0.415 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 106 11.013 0.266 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.338 -1.070 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.856 -2.028 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 106 13.522 -1.420 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.715 1.358 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 106 13.924 1.118 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.523 2.178 -2.592 1.00 0.00 H new ATOM 1632 N PHE A 107 10.020 -0.737 -4.881 1.00 0.00 N ATOM 1633 CA PHE A 107 8.986 -1.648 -5.376 1.00 0.00 C ATOM 1634 C PHE A 107 9.369 -2.226 -6.740 1.00 0.00 C ATOM 1635 O PHE A 107 9.107 -3.399 -7.016 1.00 0.00 O ATOM 1636 CB PHE A 107 7.638 -0.926 -5.480 1.00 0.00 C ATOM 1637 CG PHE A 107 6.449 -1.832 -5.314 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.211 -2.473 -4.107 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.569 -2.042 -6.363 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.119 -3.303 -3.951 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.473 -2.873 -6.213 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.248 -3.504 -5.006 1.00 0.00 C ATOM 0 H PHE A 107 9.697 0.217 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 107 8.898 -2.468 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.596 -0.144 -4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.575 -0.433 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 107 6.888 -2.321 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.741 -1.551 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.945 -3.795 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.795 -3.028 -7.039 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.393 -4.153 -4.886 1.00 0.00 H new ATOM 1652 N THR A 108 9.994 -1.399 -7.586 1.00 0.00 N ATOM 1653 CA THR A 108 10.417 -1.840 -8.916 1.00 0.00 C ATOM 1654 C THR A 108 11.435 -2.975 -8.807 1.00 0.00 C ATOM 1655 O THR A 108 11.351 -3.963 -9.538 1.00 0.00 O ATOM 1656 CB THR A 108 11.015 -0.675 -9.716 1.00 0.00 C ATOM 1657 OG1 THR A 108 10.085 0.387 -9.832 1.00 0.00 O ATOM 1658 CG2 THR A 108 11.436 -1.063 -11.119 1.00 0.00 C ATOM 0 H THR A 108 10.216 -0.427 -7.373 1.00 0.00 H new ATOM 0 HA THR A 108 9.536 -2.205 -9.443 1.00 0.00 H new ATOM 0 HB THR A 108 11.899 -0.370 -9.156 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.888 0.748 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.850 -0.193 -11.628 1.00 0.00 H new ATOM 0 HG22 THR A 108 12.191 -1.847 -11.068 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.570 -1.429 -11.671 1.00 0.00 H new ATOM 1666 N SER A 109 12.391 -2.831 -7.884 1.00 0.00 N ATOM 1667 CA SER A 109 13.417 -3.853 -7.677 1.00 0.00 C ATOM 1668 C SER A 109 12.784 -5.159 -7.199 1.00 0.00 C ATOM 1669 O SER A 109 13.144 -6.239 -7.669 1.00 0.00 O ATOM 1670 CB SER A 109 14.463 -3.373 -6.663 1.00 0.00 C ATOM 1671 OG SER A 109 15.767 -3.783 -7.045 1.00 0.00 O ATOM 0 H SER A 109 12.474 -2.020 -7.272 1.00 0.00 H new ATOM 0 HA SER A 109 13.914 -4.033 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.428 -2.286 -6.585 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.227 -3.771 -5.676 1.00 0.00 H new ATOM 0 HG SER A 109 16.417 -3.464 -6.384 1.00 0.00 H new ATOM 1677 N VAL A 110 11.830 -5.049 -6.273 1.00 0.00 N ATOM 1678 CA VAL A 110 11.138 -6.222 -5.744 1.00 0.00 C ATOM 1679 C VAL A 110 10.364 -6.935 -6.849 1.00 0.00 C ATOM 1680 O VAL A 110 10.433 -8.158 -6.976 1.00 0.00 O ATOM 1681 CB VAL A 110 10.159 -5.854 -4.605 1.00 0.00 C ATOM 1682 CG1 VAL A 110 9.539 -7.110 -4.005 1.00 0.00 C ATOM 1683 CG2 VAL A 110 10.860 -5.031 -3.528 1.00 0.00 C ATOM 0 H VAL A 110 11.521 -4.162 -5.876 1.00 0.00 H new ATOM 0 HA VAL A 110 11.906 -6.883 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 110 9.360 -5.245 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.853 -6.831 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.994 -7.652 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 110 10.326 -7.747 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 110 10.150 -4.785 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.684 -5.608 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.247 -4.112 -3.967 1.00 0.00 H new ATOM 1693 N ARG A 111 9.630 -6.159 -7.650 1.00 0.00 N ATOM 1694 CA ARG A 111 8.846 -6.710 -8.751 1.00 0.00 C ATOM 1695 C ARG A 111 9.732 -7.491 -9.718 1.00 0.00 C ATOM 1696 O ARG A 111 9.357 -8.570 -10.171 1.00 0.00 O ATOM 1697 CB ARG A 111 8.115 -5.592 -9.502 1.00 0.00 C ATOM 1698 CG ARG A 111 6.616 -5.571 -9.255 1.00 0.00 C ATOM 1699 CD ARG A 111 6.296 -5.358 -7.782 1.00 0.00 C ATOM 1700 NE ARG A 111 5.371 -6.368 -7.265 1.00 0.00 N ATOM 1701 CZ ARG A 111 5.243 -6.668 -5.969 1.00 0.00 C ATOM 1702 NH1 ARG A 111 5.999 -6.066 -5.055 1.00 0.00 N ATOM 1703 NH2 ARG A 111 4.355 -7.580 -5.585 1.00 0.00 N ATOM 0 H ARG A 111 9.564 -5.146 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 111 8.111 -7.394 -8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.537 -4.631 -9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.297 -5.705 -10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.160 -4.777 -9.846 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.178 -6.511 -9.591 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.220 -5.384 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.863 -4.367 -7.646 1.00 0.00 H new ATOM 0 HE ARG A 111 4.789 -6.873 -7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.685 -5.367 -5.340 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.893 -6.303 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.773 -8.049 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.256 -7.811 -4.596 1.00 0.00 H new ATOM 1717 N GLN A 112 10.912 -6.944 -10.022 1.00 0.00 N ATOM 1718 CA GLN A 112 11.850 -7.603 -10.932 1.00 0.00 C ATOM 1719 C GLN A 112 12.208 -9.002 -10.429 1.00 0.00 C ATOM 1720 O GLN A 112 12.248 -9.955 -11.207 1.00 0.00 O ATOM 1721 CB GLN A 112 13.124 -6.766 -11.095 1.00 0.00 C ATOM 1722 CG GLN A 112 13.128 -5.903 -12.347 1.00 0.00 C ATOM 1723 CD GLN A 112 14.215 -4.847 -12.324 1.00 0.00 C ATOM 1724 OE1 GLN A 112 13.922 -3.707 -11.709 1.00 0.00 O flip ATOM 1725 NE2 GLN A 112 15.307 -5.051 -12.854 1.00 0.00 N flip ATOM 0 H GLN A 112 11.239 -6.051 -9.653 1.00 0.00 H new ATOM 0 HA GLN A 112 11.362 -7.696 -11.902 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.242 -6.125 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 112 13.986 -7.432 -11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 112 13.263 -6.539 -13.222 1.00 0.00 H new ATOM 0 HG3 GLN A 112 12.158 -5.418 -12.452 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.491 -5.941 -13.316 1.00 0.00 H new ATOM 0 HE22 GLN A 112 16.028 -4.330 -12.831 1.00 0.00 H new ATOM 1734 N LYS A 113 12.461 -9.119 -9.124 1.00 0.00 N ATOM 1735 CA LYS A 113 12.807 -10.407 -8.526 1.00 0.00 C ATOM 1736 C LYS A 113 11.629 -11.379 -8.601 1.00 0.00 C ATOM 1737 O LYS A 113 11.816 -12.573 -8.841 1.00 0.00 O ATOM 1738 CB LYS A 113 13.245 -10.226 -7.067 1.00 0.00 C ATOM 1739 CG LYS A 113 14.616 -10.811 -6.765 1.00 0.00 C ATOM 1740 CD LYS A 113 14.805 -11.067 -5.277 1.00 0.00 C ATOM 1741 CE LYS A 113 15.987 -11.990 -5.015 1.00 0.00 C ATOM 1742 NZ LYS A 113 16.582 -11.772 -3.666 1.00 0.00 N ATOM 0 H LYS A 113 12.433 -8.341 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 113 13.638 -10.826 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.253 -9.163 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 113 12.508 -10.694 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 113 14.742 -11.745 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.389 -10.128 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 113 14.960 -10.120 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.898 -11.510 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 113 15.663 -13.027 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 113 16.749 -11.827 -5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 17.383 -12.421 -3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 16.915 -10.790 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 15.863 -11.952 -2.936 1.00 0.00 H new ATOM 1756 N ILE A 114 10.416 -10.861 -8.399 1.00 0.00 N ATOM 1757 CA ILE A 114 9.210 -11.684 -8.450 1.00 0.00 C ATOM 1758 C ILE A 114 8.870 -12.070 -9.891 1.00 0.00 C ATOM 1759 O ILE A 114 8.511 -13.216 -10.165 1.00 0.00 O ATOM 1760 CB ILE A 114 8.003 -10.962 -7.803 1.00 0.00 C ATOM 1761 CG1 ILE A 114 8.345 -10.533 -6.370 1.00 0.00 C ATOM 1762 CG2 ILE A 114 6.773 -11.861 -7.810 1.00 0.00 C ATOM 1763 CD1 ILE A 114 7.359 -9.553 -5.767 1.00 0.00 C ATOM 0 H ILE A 114 10.245 -9.876 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 114 9.416 -12.590 -7.880 1.00 0.00 H new ATOM 0 HB ILE A 114 7.779 -10.071 -8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.392 -11.420 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.338 -10.084 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.936 -11.335 -7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.519 -12.122 -8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 114 6.984 -12.770 -7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.671 -9.300 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.328 -8.648 -6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.368 -10.005 -5.739 1.00 0.00 H new ATOM 1775 N GLU A 115 8.992 -11.106 -10.806 1.00 0.00 N ATOM 1776 CA GLU A 115 8.704 -11.339 -12.222 1.00 0.00 C ATOM 1777 C GLU A 115 9.658 -12.374 -12.823 1.00 0.00 C ATOM 1778 O GLU A 115 9.263 -13.164 -13.681 1.00 0.00 O ATOM 1779 CB GLU A 115 8.804 -10.028 -13.012 1.00 0.00 C ATOM 1780 CG GLU A 115 7.504 -9.620 -13.689 1.00 0.00 C ATOM 1781 CD GLU A 115 6.744 -8.564 -12.907 1.00 0.00 C ATOM 1782 OE1 GLU A 115 6.348 -8.846 -11.756 1.00 0.00 O ATOM 1783 OE2 GLU A 115 6.546 -7.455 -13.447 1.00 0.00 O ATOM 0 H GLU A 115 9.289 -10.154 -10.590 1.00 0.00 H new ATOM 0 HA GLU A 115 7.688 -11.727 -12.291 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.118 -9.231 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.581 -10.129 -13.769 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.722 -9.240 -14.687 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.872 -10.499 -13.813 1.00 0.00 H new