USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 460 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 18 ASN : amide:sc= -2.07 K(o=-6.5,f=-14!) USER MOD Set 1.2: A 21 ASN : amide:sc= 0.527 K(o=-6.5,f=-9.7) USER MOD Set 1.3: A 52 ASN :FLIP amide:sc= -5! C(o=-9.7!,f=-6.5!) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= -0.0967 USER MOD Set 2.2: A 40 GLN : amide:sc= -4.32 K(o=-4.4,f=-6.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -105:sc= -1.19 (180deg=-4.47!) USER MOD Single : A 9 GLN : amide:sc= -9.44! C(o=-9.4!,f=-16!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -149:sc= -0.116 (180deg=-0.612) USER MOD Single : A 23 ASN :FLIP amide:sc= -2.71! C(o=-4.9!,f=-2.7!) USER MOD Single : A 26 GLN : amide:sc= -8.82! C(o=-8.8!,f=-11!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 79:sc= 0.19 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 44:sc= -3.83! USER MOD Single : A 43 ASN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.319 17.157 -7.867 1.00 0.00 N ATOM 2 CA MET A 1 -9.688 16.908 -9.286 1.00 0.00 C ATOM 3 C MET A 1 -8.492 16.405 -10.088 1.00 0.00 C ATOM 4 O MET A 1 -7.484 17.098 -10.223 1.00 0.00 O ATOM 5 CB MET A 1 -10.211 18.215 -9.892 1.00 0.00 C ATOM 6 CG MET A 1 -11.629 18.563 -9.463 1.00 0.00 C ATOM 7 SD MET A 1 -12.525 19.501 -10.715 1.00 0.00 S ATOM 8 CE MET A 1 -13.841 18.352 -11.117 1.00 0.00 C ATOM 0 H1 MET A 1 -10.152 17.498 -7.346 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.980 16.273 -7.436 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.567 17.874 -7.825 1.00 0.00 H new ATOM 0 HA MET A 1 -10.459 16.138 -9.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.545 19.029 -9.608 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.178 18.140 -10.979 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.174 17.645 -9.244 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.593 19.140 -8.539 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.484 18.788 -11.881 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.411 17.423 -11.492 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.429 18.145 -10.223 1.00 0.00 H new ATOM 20 N TYR A 2 -8.612 15.192 -10.617 1.00 0.00 N ATOM 21 CA TYR A 2 -7.543 14.588 -11.406 1.00 0.00 C ATOM 22 C TYR A 2 -6.284 14.388 -10.561 1.00 0.00 C ATOM 23 O TYR A 2 -5.953 15.224 -9.721 1.00 0.00 O ATOM 24 CB TYR A 2 -7.229 15.448 -12.627 1.00 0.00 C ATOM 25 CG TYR A 2 -8.209 15.273 -13.766 1.00 0.00 C ATOM 26 CD1 TYR A 2 -8.586 13.999 -14.187 1.00 0.00 C ATOM 27 CD2 TYR A 2 -8.758 16.369 -14.410 1.00 0.00 C ATOM 28 CE1 TYR A 2 -9.483 13.832 -15.226 1.00 0.00 C ATOM 29 CE2 TYR A 2 -9.656 16.213 -15.452 1.00 0.00 C ATOM 30 CZ TYR A 2 -10.014 14.943 -15.854 1.00 0.00 C ATOM 31 OH TYR A 2 -10.900 14.782 -16.885 1.00 0.00 O ATOM 0 H TYR A 2 -9.441 14.606 -10.514 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.885 13.610 -11.744 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -7.217 16.496 -12.328 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -6.227 15.206 -12.982 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -8.172 13.131 -13.695 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -8.481 17.364 -14.094 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -9.767 12.840 -15.545 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.073 17.078 -15.946 1.00 0.00 H new ATOM 0 HH TYR A 2 -11.180 15.661 -17.216 1.00 0.00 H new ATOM 41 N TYR A 3 -5.588 13.284 -10.799 1.00 0.00 N ATOM 42 CA TYR A 3 -4.365 12.979 -10.067 1.00 0.00 C ATOM 43 C TYR A 3 -4.636 12.872 -8.572 1.00 0.00 C ATOM 44 O TYR A 3 -4.605 13.864 -7.846 1.00 0.00 O ATOM 45 CB TYR A 3 -3.306 14.050 -10.326 1.00 0.00 C ATOM 46 CG TYR A 3 -2.314 13.681 -11.408 1.00 0.00 C ATOM 47 CD1 TYR A 3 -2.738 13.401 -12.701 1.00 0.00 C ATOM 48 CD2 TYR A 3 -0.956 13.603 -11.131 1.00 0.00 C ATOM 49 CE1 TYR A 3 -1.835 13.060 -13.690 1.00 0.00 C ATOM 50 CE2 TYR A 3 -0.047 13.257 -12.112 1.00 0.00 C ATOM 51 CZ TYR A 3 -0.490 12.987 -13.389 1.00 0.00 C ATOM 52 OH TYR A 3 0.412 12.642 -14.367 1.00 0.00 O ATOM 0 H TYR A 3 -5.849 12.584 -11.494 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.994 12.017 -10.422 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.803 14.979 -10.604 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.764 14.243 -9.400 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.791 13.451 -12.937 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.604 13.816 -10.132 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.180 12.852 -14.692 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.006 13.198 -11.879 1.00 0.00 H new ATOM 0 HH TYR A 3 1.317 12.638 -13.991 1.00 0.00 H new ATOM 62 N LEU A 4 -4.904 11.649 -8.110 1.00 0.00 N ATOM 63 CA LEU A 4 -5.180 11.411 -6.700 1.00 0.00 C ATOM 64 C LEU A 4 -3.891 11.114 -5.931 1.00 0.00 C ATOM 65 O LEU A 4 -3.805 11.361 -4.732 1.00 0.00 O ATOM 66 CB LEU A 4 -6.161 10.244 -6.539 1.00 0.00 C ATOM 67 CG LEU A 4 -7.639 10.643 -6.558 1.00 0.00 C ATOM 68 CD1 LEU A 4 -8.194 10.574 -7.975 1.00 0.00 C ATOM 69 CD2 LEU A 4 -8.441 9.749 -5.627 1.00 0.00 C ATOM 0 H LEU A 4 -4.935 10.813 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.628 12.315 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.983 9.524 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.948 9.735 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.723 11.672 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.246 10.861 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.636 11.255 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.098 9.557 -8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.490 10.045 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.349 8.712 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.060 9.847 -4.610 1.00 0.00 H new ATOM 81 N VAL A 5 -2.892 10.595 -6.639 1.00 0.00 N ATOM 82 CA VAL A 5 -1.610 10.274 -6.030 1.00 0.00 C ATOM 83 C VAL A 5 -0.467 11.003 -6.733 1.00 0.00 C ATOM 84 O VAL A 5 -0.687 11.675 -7.739 1.00 0.00 O ATOM 85 CB VAL A 5 -1.350 8.757 -6.058 1.00 0.00 C ATOM 86 CG1 VAL A 5 -2.318 8.029 -5.128 1.00 0.00 C ATOM 87 CG2 VAL A 5 -1.455 8.220 -7.479 1.00 0.00 C ATOM 0 H VAL A 5 -2.948 10.388 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.652 10.606 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.336 8.575 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.119 6.958 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.185 8.391 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.342 8.218 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.268 7.146 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.455 8.413 -7.868 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.718 8.716 -8.111 1.00 0.00 H new ATOM 97 N VAL A 6 0.749 10.889 -6.196 1.00 0.00 N ATOM 98 CA VAL A 6 1.896 11.564 -6.789 1.00 0.00 C ATOM 99 C VAL A 6 3.165 10.706 -6.785 1.00 0.00 C ATOM 100 O VAL A 6 3.808 10.548 -7.824 1.00 0.00 O ATOM 101 CB VAL A 6 2.187 12.906 -6.078 1.00 0.00 C ATOM 102 CG1 VAL A 6 2.582 12.682 -4.631 1.00 0.00 C ATOM 103 CG2 VAL A 6 3.268 13.680 -6.815 1.00 0.00 C ATOM 0 H VAL A 6 0.960 10.342 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 6 1.622 11.750 -7.828 1.00 0.00 H new ATOM 0 HB VAL A 6 1.272 13.498 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.781 13.642 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.770 12.178 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.479 12.064 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.458 14.621 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.184 13.090 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.938 13.885 -7.834 1.00 0.00 H new ATOM 113 N ASN A 7 3.542 10.164 -5.627 1.00 0.00 N ATOM 114 CA ASN A 7 4.752 9.351 -5.543 1.00 0.00 C ATOM 115 C ASN A 7 4.710 8.369 -4.373 1.00 0.00 C ATOM 116 O ASN A 7 4.727 7.160 -4.582 1.00 0.00 O ATOM 117 CB ASN A 7 5.982 10.252 -5.417 1.00 0.00 C ATOM 118 CG ASN A 7 7.244 9.584 -5.931 1.00 0.00 C ATOM 119 OD1 ASN A 7 7.921 8.861 -5.196 1.00 0.00 O ATOM 120 ND2 ASN A 7 7.564 9.822 -7.199 1.00 0.00 N ATOM 0 H ASN A 7 3.036 10.271 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 7 4.813 8.767 -6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.811 11.175 -5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 7 6.121 10.529 -4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.400 9.399 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.973 10.427 -7.769 1.00 0.00 H new ATOM 127 N LYS A 8 4.668 8.903 -3.151 1.00 0.00 N ATOM 128 CA LYS A 8 4.635 8.071 -1.942 1.00 0.00 C ATOM 129 C LYS A 8 3.787 6.820 -2.147 1.00 0.00 C ATOM 130 O LYS A 8 4.080 5.758 -1.597 1.00 0.00 O ATOM 131 CB LYS A 8 4.083 8.874 -0.757 1.00 0.00 C ATOM 132 CG LYS A 8 3.725 8.023 0.458 1.00 0.00 C ATOM 133 CD LYS A 8 4.955 7.361 1.054 1.00 0.00 C ATOM 134 CE LYS A 8 5.694 8.301 1.992 1.00 0.00 C ATOM 135 NZ LYS A 8 4.780 8.918 2.993 1.00 0.00 N ATOM 0 H LYS A 8 4.656 9.907 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 8 5.658 7.762 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.822 9.619 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.195 9.417 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.245 8.647 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.003 7.259 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.659 6.463 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.623 7.045 0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.482 7.753 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.180 9.085 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.599 9.909 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.881 8.395 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.221 8.882 3.934 1.00 0.00 H new ATOM 149 N GLN A 9 2.733 6.961 -2.935 1.00 0.00 N ATOM 150 CA GLN A 9 1.832 5.857 -3.208 1.00 0.00 C ATOM 151 C GLN A 9 2.546 4.707 -3.922 1.00 0.00 C ATOM 152 O GLN A 9 2.398 3.546 -3.545 1.00 0.00 O ATOM 153 CB GLN A 9 0.648 6.360 -4.038 1.00 0.00 C ATOM 154 CG GLN A 9 -0.097 5.270 -4.781 1.00 0.00 C ATOM 155 CD GLN A 9 0.232 5.239 -6.263 1.00 0.00 C ATOM 156 OE1 GLN A 9 1.370 4.983 -6.651 1.00 0.00 O ATOM 157 NE2 GLN A 9 -0.766 5.500 -7.097 1.00 0.00 N ATOM 0 H GLN A 9 2.481 7.834 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 9 1.468 5.466 -2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.050 6.877 -3.379 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.009 7.094 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.146 4.304 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.169 5.418 -4.654 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.695 5.708 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.604 5.493 -8.104 1.00 0.00 H new ATOM 166 N GLN A 10 3.313 5.031 -4.958 1.00 0.00 N ATOM 167 CA GLN A 10 4.034 4.014 -5.723 1.00 0.00 C ATOM 168 C GLN A 10 4.975 3.210 -4.830 1.00 0.00 C ATOM 169 O GLN A 10 4.980 1.976 -4.863 1.00 0.00 O ATOM 170 CB GLN A 10 4.824 4.667 -6.858 1.00 0.00 C ATOM 171 CG GLN A 10 4.031 4.812 -8.146 1.00 0.00 C ATOM 172 CD GLN A 10 4.918 5.029 -9.350 1.00 0.00 C ATOM 173 OE1 GLN A 10 6.094 5.371 -9.218 1.00 0.00 O ATOM 174 NE2 GLN A 10 4.357 4.843 -10.541 1.00 0.00 N ATOM 0 H GLN A 10 3.453 5.986 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 10 3.298 3.329 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.160 5.652 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.717 4.074 -7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.427 3.918 -8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.341 5.650 -8.051 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.379 4.560 -10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.904 4.984 -11.390 1.00 0.00 H new ATOM 183 N ASN A 11 5.774 3.914 -4.036 1.00 0.00 N ATOM 184 CA ASN A 11 6.724 3.265 -3.138 1.00 0.00 C ATOM 185 C ASN A 11 6.011 2.313 -2.182 1.00 0.00 C ATOM 186 O ASN A 11 6.551 1.268 -1.815 1.00 0.00 O ATOM 187 CB ASN A 11 7.507 4.320 -2.342 1.00 0.00 C ATOM 188 CG ASN A 11 8.989 4.303 -2.662 1.00 0.00 C ATOM 189 OD1 ASN A 11 9.409 4.736 -3.734 1.00 0.00 O ATOM 190 ND2 ASN A 11 9.789 3.799 -1.730 1.00 0.00 N ATOM 0 H ASN A 11 5.783 4.933 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 11 7.420 2.684 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.103 5.309 -2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.366 4.145 -1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.796 3.760 -1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.397 3.451 -0.855 1.00 0.00 H new ATOM 197 N ALA A 12 4.799 2.678 -1.778 1.00 0.00 N ATOM 198 CA ALA A 12 4.024 1.853 -0.862 1.00 0.00 C ATOM 199 C ALA A 12 3.444 0.627 -1.565 1.00 0.00 C ATOM 200 O ALA A 12 3.176 -0.385 -0.926 1.00 0.00 O ATOM 201 CB ALA A 12 2.923 2.678 -0.204 1.00 0.00 C ATOM 0 H ALA A 12 4.334 3.538 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 12 4.697 1.492 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.353 2.046 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.369 3.502 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.259 3.076 -0.971 1.00 0.00 H new ATOM 207 N PHE A 13 3.264 0.711 -2.884 1.00 0.00 N ATOM 208 CA PHE A 13 2.725 -0.413 -3.657 1.00 0.00 C ATOM 209 C PHE A 13 3.573 -1.661 -3.448 1.00 0.00 C ATOM 210 O PHE A 13 3.068 -2.701 -3.024 1.00 0.00 O ATOM 211 CB PHE A 13 2.676 -0.060 -5.145 1.00 0.00 C ATOM 212 CG PHE A 13 1.681 -0.875 -5.920 1.00 0.00 C ATOM 213 CD1 PHE A 13 1.809 -2.253 -6.003 1.00 0.00 C ATOM 214 CD2 PHE A 13 0.618 -0.264 -6.566 1.00 0.00 C ATOM 215 CE1 PHE A 13 0.895 -3.005 -6.716 1.00 0.00 C ATOM 216 CE2 PHE A 13 -0.298 -1.012 -7.282 1.00 0.00 C ATOM 217 CZ PHE A 13 -0.161 -2.384 -7.355 1.00 0.00 C ATOM 0 H PHE A 13 3.481 1.539 -3.438 1.00 0.00 H new ATOM 0 HA PHE A 13 1.713 -0.615 -3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.431 0.997 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.666 -0.203 -5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.632 -2.744 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.504 0.808 -6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.006 -4.078 -6.774 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.120 -0.524 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.878 -2.971 -7.910 1.00 0.00 H new ATOM 227 N TYR A 14 4.865 -1.551 -3.734 1.00 0.00 N ATOM 228 CA TYR A 14 5.779 -2.675 -3.562 1.00 0.00 C ATOM 229 C TYR A 14 5.799 -3.121 -2.106 1.00 0.00 C ATOM 230 O TYR A 14 5.935 -4.307 -1.819 1.00 0.00 O ATOM 231 CB TYR A 14 7.190 -2.299 -4.020 1.00 0.00 C ATOM 232 CG TYR A 14 7.903 -3.410 -4.756 1.00 0.00 C ATOM 233 CD1 TYR A 14 7.464 -3.836 -6.004 1.00 0.00 C ATOM 234 CD2 TYR A 14 9.016 -4.032 -4.204 1.00 0.00 C ATOM 235 CE1 TYR A 14 8.112 -4.849 -6.678 1.00 0.00 C ATOM 236 CE2 TYR A 14 9.671 -5.047 -4.875 1.00 0.00 C ATOM 237 CZ TYR A 14 9.213 -5.450 -6.109 1.00 0.00 C ATOM 238 OH TYR A 14 9.863 -6.461 -6.778 1.00 0.00 O ATOM 0 H TYR A 14 5.302 -0.699 -4.085 1.00 0.00 H new ATOM 0 HA TYR A 14 5.426 -3.502 -4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.132 -1.424 -4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.781 -2.013 -3.150 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.601 -3.366 -6.453 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.375 -3.717 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.758 -5.170 -7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.536 -5.521 -4.435 1.00 0.00 H new ATOM 0 HH TYR A 14 10.619 -6.776 -6.240 1.00 0.00 H new ATOM 248 N GLU A 15 5.640 -2.169 -1.189 1.00 0.00 N ATOM 249 CA GLU A 15 5.617 -2.487 0.232 1.00 0.00 C ATOM 250 C GLU A 15 4.325 -3.217 0.564 1.00 0.00 C ATOM 251 O GLU A 15 4.349 -4.262 1.209 1.00 0.00 O ATOM 252 CB GLU A 15 5.757 -1.221 1.076 1.00 0.00 C ATOM 253 CG GLU A 15 7.193 -0.913 1.464 1.00 0.00 C ATOM 254 CD GLU A 15 7.624 -1.638 2.725 1.00 0.00 C ATOM 255 OE1 GLU A 15 7.064 -2.718 3.008 1.00 0.00 O ATOM 256 OE2 GLU A 15 8.519 -1.126 3.428 1.00 0.00 O ATOM 0 H GLU A 15 5.526 -1.179 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 15 6.463 -3.133 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.349 -0.376 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.158 -1.328 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.855 -1.192 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.303 0.161 1.611 1.00 0.00 H new ATOM 263 N VAL A 16 3.201 -2.694 0.069 1.00 0.00 N ATOM 264 CA VAL A 16 1.907 -3.345 0.268 1.00 0.00 C ATOM 265 C VAL A 16 2.081 -4.820 0.002 1.00 0.00 C ATOM 266 O VAL A 16 1.670 -5.680 0.779 1.00 0.00 O ATOM 267 CB VAL A 16 0.860 -2.807 -0.714 1.00 0.00 C ATOM 268 CG1 VAL A 16 -0.443 -3.575 -0.586 1.00 0.00 C ATOM 269 CG2 VAL A 16 0.636 -1.318 -0.501 1.00 0.00 C ATOM 0 H VAL A 16 3.162 -1.828 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 16 1.568 -3.151 1.286 1.00 0.00 H new ATOM 0 HB VAL A 16 1.238 -2.950 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.171 -3.176 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.267 -4.629 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.828 -3.472 0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.111 -0.958 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.285 -1.145 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.573 -0.783 -0.658 1.00 0.00 H new ATOM 279 N LEU A 17 2.735 -5.072 -1.117 1.00 0.00 N ATOM 280 CA LEU A 17 3.048 -6.405 -1.568 1.00 0.00 C ATOM 281 C LEU A 17 4.168 -6.990 -0.703 1.00 0.00 C ATOM 282 O LEU A 17 4.166 -8.170 -0.356 1.00 0.00 O ATOM 283 CB LEU A 17 3.477 -6.324 -3.022 1.00 0.00 C ATOM 284 CG LEU A 17 2.428 -5.744 -3.966 1.00 0.00 C ATOM 285 CD1 LEU A 17 2.920 -5.829 -5.396 1.00 0.00 C ATOM 286 CD2 LEU A 17 1.101 -6.470 -3.818 1.00 0.00 C ATOM 0 H LEU A 17 3.067 -4.340 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 17 2.178 -7.056 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.380 -5.716 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.741 -7.324 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 17 2.269 -4.698 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.167 -5.413 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.846 -5.263 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.102 -6.872 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.371 -6.037 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.236 -7.526 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.743 -6.368 -2.793 1.00 0.00 H new ATOM 298 N ASN A 18 5.114 -6.116 -0.356 1.00 0.00 N ATOM 299 CA ASN A 18 6.266 -6.451 0.479 1.00 0.00 C ATOM 300 C ASN A 18 6.895 -7.793 0.107 1.00 0.00 C ATOM 301 O ASN A 18 7.786 -7.861 -0.739 1.00 0.00 O ATOM 302 CB ASN A 18 5.867 -6.436 1.963 1.00 0.00 C ATOM 303 CG ASN A 18 6.956 -6.982 2.872 1.00 0.00 C ATOM 304 OD1 ASN A 18 6.952 -8.160 3.226 1.00 0.00 O ATOM 305 ND2 ASN A 18 7.894 -6.122 3.251 1.00 0.00 N ATOM 0 H ASN A 18 5.100 -5.140 -0.653 1.00 0.00 H new ATOM 0 HA ASN A 18 7.024 -5.689 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.630 -5.414 2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.960 -7.025 2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.652 -6.430 3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.857 -5.154 2.932 1.00 0.00 H new ATOM 312 N MET A 19 6.451 -8.846 0.775 1.00 0.00 N ATOM 313 CA MET A 19 6.993 -10.184 0.555 1.00 0.00 C ATOM 314 C MET A 19 5.938 -11.145 0.010 1.00 0.00 C ATOM 315 O MET A 19 4.745 -10.852 0.043 1.00 0.00 O ATOM 316 CB MET A 19 7.553 -10.722 1.872 1.00 0.00 C ATOM 317 CG MET A 19 8.967 -10.248 2.178 1.00 0.00 C ATOM 318 SD MET A 19 10.154 -10.726 0.908 1.00 0.00 S ATOM 319 CE MET A 19 10.722 -9.119 0.355 1.00 0.00 C ATOM 0 H MET A 19 5.713 -8.803 1.478 1.00 0.00 H new ATOM 0 HA MET A 19 7.785 -10.110 -0.191 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.894 -10.420 2.686 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.544 -11.812 1.842 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.968 -9.163 2.279 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.283 -10.658 3.137 1.00 0.00 H new ATOM 0 HE1 MET A 19 10.990 -9.171 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.928 -8.385 0.492 1.00 0.00 H new ATOM 0 HE3 MET A 19 11.595 -8.822 0.936 1.00 0.00 H new ATOM 329 N PRO A 20 6.370 -12.322 -0.487 1.00 0.00 N ATOM 330 CA PRO A 20 5.454 -13.332 -1.023 1.00 0.00 C ATOM 331 C PRO A 20 4.480 -13.841 0.036 1.00 0.00 C ATOM 332 O PRO A 20 3.389 -14.309 -0.288 1.00 0.00 O ATOM 333 CB PRO A 20 6.377 -14.457 -1.484 1.00 0.00 C ATOM 334 CG PRO A 20 7.654 -14.246 -0.748 1.00 0.00 C ATOM 335 CD PRO A 20 7.775 -12.762 -0.557 1.00 0.00 C ATOM 0 HA PRO A 20 4.830 -12.930 -1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.950 -15.434 -1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.534 -14.420 -2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.643 -14.764 0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.500 -14.638 -1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.321 -12.515 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.305 -12.290 -1.384 1.00 0.00 H new ATOM 343 N ASN A 21 4.876 -13.739 1.308 1.00 0.00 N ATOM 344 CA ASN A 21 4.029 -14.180 2.415 1.00 0.00 C ATOM 345 C ASN A 21 2.609 -13.657 2.234 1.00 0.00 C ATOM 346 O ASN A 21 1.635 -14.314 2.602 1.00 0.00 O ATOM 347 CB ASN A 21 4.597 -13.694 3.749 1.00 0.00 C ATOM 348 CG ASN A 21 6.068 -14.028 3.906 1.00 0.00 C ATOM 349 OD1 ASN A 21 6.922 -13.141 3.906 1.00 0.00 O ATOM 350 ND2 ASN A 21 6.371 -15.314 4.040 1.00 0.00 N ATOM 0 H ASN A 21 5.777 -13.355 1.594 1.00 0.00 H new ATOM 0 HA ASN A 21 4.007 -15.270 2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.462 -12.615 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.035 -14.146 4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.344 -15.600 4.149 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.631 -16.016 4.034 1.00 0.00 H new ATOM 357 N LEU A 22 2.508 -12.471 1.644 1.00 0.00 N ATOM 358 CA LEU A 22 1.223 -11.845 1.380 1.00 0.00 C ATOM 359 C LEU A 22 1.115 -11.496 -0.094 1.00 0.00 C ATOM 360 O LEU A 22 2.127 -11.439 -0.792 1.00 0.00 O ATOM 361 CB LEU A 22 1.048 -10.599 2.254 1.00 0.00 C ATOM 362 CG LEU A 22 0.464 -9.356 1.575 1.00 0.00 C ATOM 363 CD1 LEU A 22 -0.084 -8.412 2.627 1.00 0.00 C ATOM 364 CD2 LEU A 22 1.509 -8.654 0.724 1.00 0.00 C ATOM 0 H LEU A 22 3.311 -11.921 1.338 1.00 0.00 H new ATOM 0 HA LEU A 22 0.425 -12.544 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.405 -10.861 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.021 -10.335 2.668 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.345 -9.669 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.499 -7.528 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.866 -8.915 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.719 -8.113 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.066 -7.776 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.344 -8.347 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.868 -9.335 -0.047 1.00 0.00 H new ATOM 376 N ASN A 23 -0.112 -11.255 -0.548 1.00 0.00 N ATOM 377 CA ASN A 23 -0.384 -10.894 -1.949 1.00 0.00 C ATOM 378 C ASN A 23 -1.748 -11.430 -2.383 1.00 0.00 C ATOM 379 O ASN A 23 -1.888 -12.028 -3.449 1.00 0.00 O ATOM 380 CB ASN A 23 0.708 -11.420 -2.899 1.00 0.00 C ATOM 381 CG ASN A 23 0.431 -11.100 -4.358 1.00 0.00 C ATOM 382 OD1 ASN A 23 0.788 -9.891 -4.774 1.00 0.00 O flip ATOM 383 ND2 ASN A 23 -0.090 -11.932 -5.101 1.00 0.00 N flip ATOM 0 H ASN A 23 -0.947 -11.302 0.036 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.386 -9.806 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.668 -10.989 -2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.796 -12.500 -2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.348 -12.849 -4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.263 -11.704 -6.080 1.00 0.00 H new ATOM 390 N GLU A 24 -2.753 -11.205 -1.549 1.00 0.00 N ATOM 391 CA GLU A 24 -4.106 -11.657 -1.850 1.00 0.00 C ATOM 392 C GLU A 24 -5.152 -10.559 -1.598 1.00 0.00 C ATOM 393 O GLU A 24 -5.494 -9.805 -2.509 1.00 0.00 O ATOM 394 CB GLU A 24 -4.441 -12.925 -1.050 1.00 0.00 C ATOM 395 CG GLU A 24 -3.319 -13.403 -0.141 1.00 0.00 C ATOM 396 CD GLU A 24 -3.525 -14.826 0.339 1.00 0.00 C ATOM 397 OE1 GLU A 24 -3.613 -15.734 -0.514 1.00 0.00 O ATOM 398 OE2 GLU A 24 -3.598 -15.033 1.570 1.00 0.00 O ATOM 0 H GLU A 24 -2.659 -10.713 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.141 -11.894 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.328 -12.736 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.695 -13.724 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.371 -13.337 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.247 -12.739 0.721 1.00 0.00 H new ATOM 405 N ASP A 25 -5.672 -10.486 -0.375 1.00 0.00 N ATOM 406 CA ASP A 25 -6.691 -9.499 -0.024 1.00 0.00 C ATOM 407 C ASP A 25 -6.087 -8.204 0.515 1.00 0.00 C ATOM 408 O ASP A 25 -6.492 -7.106 0.133 1.00 0.00 O ATOM 409 CB ASP A 25 -7.642 -10.093 1.015 1.00 0.00 C ATOM 410 CG ASP A 25 -8.901 -10.649 0.390 1.00 0.00 C ATOM 411 OD1 ASP A 25 -9.349 -10.096 -0.635 1.00 0.00 O ATOM 412 OD2 ASP A 25 -9.440 -11.641 0.925 1.00 0.00 O ATOM 0 H ASP A 25 -5.403 -11.101 0.393 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.233 -9.250 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.130 -10.885 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.908 -9.325 1.741 1.00 0.00 H new ATOM 417 N GLN A 26 -5.147 -8.355 1.435 1.00 0.00 N ATOM 418 CA GLN A 26 -4.488 -7.227 2.091 1.00 0.00 C ATOM 419 C GLN A 26 -4.183 -6.079 1.151 1.00 0.00 C ATOM 420 O GLN A 26 -4.374 -4.911 1.491 1.00 0.00 O ATOM 421 CB GLN A 26 -3.182 -7.689 2.724 1.00 0.00 C ATOM 422 CG GLN A 26 -3.347 -8.277 4.114 1.00 0.00 C ATOM 423 CD GLN A 26 -4.092 -7.354 5.057 1.00 0.00 C ATOM 424 OE1 GLN A 26 -4.275 -6.172 4.771 1.00 0.00 O ATOM 425 NE2 GLN A 26 -4.525 -7.892 6.192 1.00 0.00 N ATOM 0 H GLN A 26 -4.815 -9.266 1.752 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.188 -6.862 2.843 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.720 -8.435 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.496 -6.844 2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.882 -9.224 4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.364 -8.497 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.351 -8.878 6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.032 -7.319 6.867 1.00 0.00 H new ATOM 434 N ARG A 27 -3.681 -6.417 -0.011 1.00 0.00 N ATOM 435 CA ARG A 27 -3.311 -5.412 -0.994 1.00 0.00 C ATOM 436 C ARG A 27 -4.520 -4.952 -1.782 1.00 0.00 C ATOM 437 O ARG A 27 -4.534 -3.849 -2.319 1.00 0.00 O ATOM 438 CB ARG A 27 -2.228 -5.944 -1.922 1.00 0.00 C ATOM 439 CG ARG A 27 -1.121 -6.683 -1.181 1.00 0.00 C ATOM 440 CD ARG A 27 -1.553 -8.085 -0.779 1.00 0.00 C ATOM 441 NE ARG A 27 -2.522 -8.652 -1.726 1.00 0.00 N ATOM 442 CZ ARG A 27 -2.329 -8.739 -3.048 1.00 0.00 C ATOM 443 NH1 ARG A 27 -1.156 -8.428 -3.577 1.00 0.00 N ATOM 444 NH2 ARG A 27 -3.302 -9.170 -3.838 1.00 0.00 N ATOM 0 H ARG A 27 -3.517 -7.380 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.911 -4.548 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.680 -6.615 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.794 -5.114 -2.479 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.236 -6.742 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.839 -6.120 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.678 -8.733 -0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.993 -8.058 0.218 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.403 -9.004 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.391 -8.120 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.017 -8.497 -4.585 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.202 -9.437 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.151 -9.235 -4.845 1.00 0.00 H new ATOM 458 N ASN A 28 -5.551 -5.780 -1.837 1.00 0.00 N ATOM 459 CA ASN A 28 -6.759 -5.401 -2.549 1.00 0.00 C ATOM 460 C ASN A 28 -7.291 -4.086 -1.985 1.00 0.00 C ATOM 461 O ASN A 28 -7.692 -3.187 -2.728 1.00 0.00 O ATOM 462 CB ASN A 28 -7.816 -6.499 -2.430 1.00 0.00 C ATOM 463 CG ASN A 28 -8.596 -6.693 -3.714 1.00 0.00 C ATOM 464 OD1 ASN A 28 -9.472 -5.899 -4.047 1.00 0.00 O ATOM 465 ND2 ASN A 28 -8.275 -7.756 -4.444 1.00 0.00 N ATOM 0 H ASN A 28 -5.576 -6.704 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.524 -5.268 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.332 -7.437 -2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.506 -6.250 -1.624 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.763 -7.939 -5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.540 -8.389 -4.128 1.00 0.00 H new ATOM 472 N ALA A 29 -7.257 -3.973 -0.660 1.00 0.00 N ATOM 473 CA ALA A 29 -7.712 -2.768 0.018 1.00 0.00 C ATOM 474 C ALA A 29 -6.562 -1.779 0.171 1.00 0.00 C ATOM 475 O ALA A 29 -6.764 -0.566 0.150 1.00 0.00 O ATOM 476 CB ALA A 29 -8.301 -3.112 1.377 1.00 0.00 C ATOM 0 H ALA A 29 -6.918 -4.705 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.491 -2.304 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.636 -2.199 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.148 -3.786 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.542 -3.598 1.990 1.00 0.00 H new ATOM 482 N PHE A 30 -5.351 -2.311 0.313 1.00 0.00 N ATOM 483 CA PHE A 30 -4.165 -1.480 0.458 1.00 0.00 C ATOM 484 C PHE A 30 -3.811 -0.823 -0.868 1.00 0.00 C ATOM 485 O PHE A 30 -3.671 0.395 -0.940 1.00 0.00 O ATOM 486 CB PHE A 30 -2.993 -2.309 0.992 1.00 0.00 C ATOM 487 CG PHE A 30 -2.972 -2.398 2.482 1.00 0.00 C ATOM 488 CD1 PHE A 30 -4.126 -2.655 3.205 1.00 0.00 C ATOM 489 CD2 PHE A 30 -1.791 -2.201 3.159 1.00 0.00 C ATOM 490 CE1 PHE A 30 -4.090 -2.715 4.583 1.00 0.00 C ATOM 491 CE2 PHE A 30 -1.750 -2.253 4.525 1.00 0.00 C ATOM 492 CZ PHE A 30 -2.897 -2.512 5.246 1.00 0.00 C ATOM 0 H PHE A 30 -5.168 -3.314 0.330 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.377 -0.691 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.046 -3.314 0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.057 -1.870 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.060 -2.809 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.885 -2.003 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.992 -2.920 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.815 -2.091 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.862 -2.556 6.325 1.00 0.00 H new ATOM 502 N ILE A 31 -3.704 -1.620 -1.929 1.00 0.00 N ATOM 503 CA ILE A 31 -3.403 -1.081 -3.242 1.00 0.00 C ATOM 504 C ILE A 31 -4.375 0.051 -3.559 1.00 0.00 C ATOM 505 O ILE A 31 -3.993 1.080 -4.116 1.00 0.00 O ATOM 506 CB ILE A 31 -3.500 -2.168 -4.333 1.00 0.00 C ATOM 507 CG1 ILE A 31 -2.531 -3.320 -4.036 1.00 0.00 C ATOM 508 CG2 ILE A 31 -3.206 -1.563 -5.691 1.00 0.00 C ATOM 509 CD1 ILE A 31 -2.975 -4.644 -4.614 1.00 0.00 C ATOM 0 H ILE A 31 -3.821 -2.633 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.380 -0.705 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.513 -2.570 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.548 -3.070 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.420 -3.422 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.276 -2.336 -6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.929 -0.776 -5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.201 -1.142 -5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.243 -5.413 -4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.944 -4.917 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.058 -4.558 -5.697 1.00 0.00 H new ATOM 521 N GLN A 32 -5.635 -0.141 -3.168 1.00 0.00 N ATOM 522 CA GLN A 32 -6.658 0.875 -3.381 1.00 0.00 C ATOM 523 C GLN A 32 -6.397 2.069 -2.468 1.00 0.00 C ATOM 524 O GLN A 32 -6.599 3.219 -2.855 1.00 0.00 O ATOM 525 CB GLN A 32 -8.049 0.300 -3.108 1.00 0.00 C ATOM 526 CG GLN A 32 -9.176 1.289 -3.361 1.00 0.00 C ATOM 527 CD GLN A 32 -10.517 0.613 -3.518 1.00 0.00 C ATOM 528 OE1 GLN A 32 -10.924 0.269 -4.626 1.00 0.00 O ATOM 529 NE2 GLN A 32 -11.217 0.419 -2.405 1.00 0.00 N ATOM 0 H GLN A 32 -5.968 -0.987 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.617 1.202 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.200 -0.578 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.097 -0.036 -2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.225 1.998 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.955 1.863 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.840 0.721 -1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.131 -0.032 -2.449 1.00 0.00 H new ATOM 538 N SER A 33 -5.925 1.781 -1.255 1.00 0.00 N ATOM 539 CA SER A 33 -5.612 2.823 -0.283 1.00 0.00 C ATOM 540 C SER A 33 -4.514 3.732 -0.817 1.00 0.00 C ATOM 541 O SER A 33 -4.465 4.922 -0.504 1.00 0.00 O ATOM 542 CB SER A 33 -5.177 2.200 1.042 1.00 0.00 C ATOM 543 OG SER A 33 -6.296 1.909 1.861 1.00 0.00 O ATOM 0 H SER A 33 -5.751 0.832 -0.924 1.00 0.00 H new ATOM 0 HA SER A 33 -6.509 3.418 -0.113 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.615 1.286 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.507 2.882 1.565 1.00 0.00 H new ATOM 0 HG SER A 33 -6.715 1.076 1.559 1.00 0.00 H new ATOM 549 N LEU A 34 -3.636 3.158 -1.630 1.00 0.00 N ATOM 550 CA LEU A 34 -2.532 3.896 -2.224 1.00 0.00 C ATOM 551 C LEU A 34 -3.039 4.884 -3.265 1.00 0.00 C ATOM 552 O LEU A 34 -2.795 6.088 -3.186 1.00 0.00 O ATOM 553 CB LEU A 34 -1.596 2.909 -2.932 1.00 0.00 C ATOM 554 CG LEU A 34 -0.532 2.226 -2.071 1.00 0.00 C ATOM 555 CD1 LEU A 34 -1.196 1.346 -1.029 1.00 0.00 C ATOM 556 CD2 LEU A 34 0.363 1.382 -2.950 1.00 0.00 C ATOM 0 H LEU A 34 -3.670 2.173 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.014 4.436 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.207 2.134 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.090 3.440 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 34 0.064 2.987 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.432 0.863 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.836 1.956 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.798 0.585 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.121 0.895 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.235 0.624 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.849 2.017 -3.691 1.00 0.00 H new ATOM 568 N LYS A 35 -3.722 4.334 -4.260 1.00 0.00 N ATOM 569 CA LYS A 35 -4.256 5.113 -5.375 1.00 0.00 C ATOM 570 C LYS A 35 -5.117 6.283 -4.913 1.00 0.00 C ATOM 571 O LYS A 35 -5.277 7.260 -5.638 1.00 0.00 O ATOM 572 CB LYS A 35 -5.070 4.208 -6.301 1.00 0.00 C ATOM 573 CG LYS A 35 -4.246 3.117 -6.963 1.00 0.00 C ATOM 574 CD LYS A 35 -3.343 3.681 -8.049 1.00 0.00 C ATOM 575 CE LYS A 35 -4.075 3.798 -9.370 1.00 0.00 C ATOM 576 NZ LYS A 35 -3.506 4.878 -10.221 1.00 0.00 N ATOM 0 H LYS A 35 -3.923 3.336 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.404 5.529 -5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.875 3.747 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.537 4.819 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.640 2.611 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.911 2.368 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.976 4.662 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.471 3.038 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.020 2.848 -9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.130 3.999 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.032 4.928 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.582 5.788 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.506 4.674 -10.419 1.00 0.00 H new ATOM 590 N ASP A 36 -5.688 6.177 -3.723 1.00 0.00 N ATOM 591 CA ASP A 36 -6.547 7.237 -3.209 1.00 0.00 C ATOM 592 C ASP A 36 -5.747 8.465 -2.795 1.00 0.00 C ATOM 593 O ASP A 36 -6.003 9.569 -3.275 1.00 0.00 O ATOM 594 CB ASP A 36 -7.377 6.725 -2.029 1.00 0.00 C ATOM 595 CG ASP A 36 -8.771 6.300 -2.443 1.00 0.00 C ATOM 596 OD1 ASP A 36 -8.970 5.998 -3.638 1.00 0.00 O ATOM 597 OD2 ASP A 36 -9.667 6.269 -1.573 1.00 0.00 O ATOM 0 H ASP A 36 -5.575 5.378 -3.099 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.216 7.535 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.865 5.881 -1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.448 7.506 -1.273 1.00 0.00 H new ATOM 602 N ASP A 37 -4.785 8.277 -1.901 1.00 0.00 N ATOM 603 CA ASP A 37 -3.967 9.390 -1.436 1.00 0.00 C ATOM 604 C ASP A 37 -2.618 8.903 -0.910 1.00 0.00 C ATOM 605 O ASP A 37 -2.561 8.083 0.006 1.00 0.00 O ATOM 606 CB ASP A 37 -4.706 10.163 -0.341 1.00 0.00 C ATOM 607 CG ASP A 37 -5.172 11.524 -0.810 1.00 0.00 C ATOM 608 OD1 ASP A 37 -4.411 12.190 -1.540 1.00 0.00 O ATOM 609 OD2 ASP A 37 -6.299 11.919 -0.444 1.00 0.00 O ATOM 0 H ASP A 37 -4.553 7.374 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.783 10.051 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.566 9.582 -0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.050 10.284 0.521 1.00 0.00 H new ATOM 614 N PRO A 38 -1.508 9.414 -1.472 1.00 0.00 N ATOM 615 CA PRO A 38 -0.163 9.032 -1.037 1.00 0.00 C ATOM 616 C PRO A 38 0.073 9.406 0.423 1.00 0.00 C ATOM 617 O PRO A 38 0.957 8.860 1.082 1.00 0.00 O ATOM 618 CB PRO A 38 0.766 9.838 -1.953 1.00 0.00 C ATOM 619 CG PRO A 38 -0.085 10.250 -3.102 1.00 0.00 C ATOM 620 CD PRO A 38 -1.472 10.402 -2.552 1.00 0.00 C ATOM 0 HA PRO A 38 0.002 7.957 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.175 10.705 -1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.612 9.236 -2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.269 11.186 -3.534 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.059 9.503 -3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.651 11.411 -2.182 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.230 10.201 -3.309 1.00 0.00 H new ATOM 628 N SER A 39 -0.736 10.335 0.931 1.00 0.00 N ATOM 629 CA SER A 39 -0.623 10.764 2.320 1.00 0.00 C ATOM 630 C SER A 39 -0.849 9.572 3.240 1.00 0.00 C ATOM 631 O SER A 39 -0.186 9.424 4.266 1.00 0.00 O ATOM 632 CB SER A 39 -1.639 11.867 2.626 1.00 0.00 C ATOM 633 OG SER A 39 -2.966 11.408 2.429 1.00 0.00 O ATOM 0 H SER A 39 -1.473 10.802 0.402 1.00 0.00 H new ATOM 0 HA SER A 39 0.377 11.165 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.516 12.203 3.656 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.450 12.728 1.985 1.00 0.00 H new ATOM 0 HG SER A 39 -3.596 12.131 2.633 1.00 0.00 H new ATOM 639 N GLN A 40 -1.780 8.711 2.840 1.00 0.00 N ATOM 640 CA GLN A 40 -2.090 7.507 3.598 1.00 0.00 C ATOM 641 C GLN A 40 -1.431 6.295 2.947 1.00 0.00 C ATOM 642 O GLN A 40 -1.792 5.151 3.230 1.00 0.00 O ATOM 643 CB GLN A 40 -3.605 7.305 3.688 1.00 0.00 C ATOM 644 CG GLN A 40 -4.261 6.966 2.351 1.00 0.00 C ATOM 645 CD GLN A 40 -5.224 8.042 1.888 1.00 0.00 C ATOM 646 OE1 GLN A 40 -5.060 9.219 2.211 1.00 0.00 O ATOM 647 NE2 GLN A 40 -6.236 7.643 1.126 1.00 0.00 N ATOM 0 H GLN A 40 -2.334 8.827 1.991 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.698 7.620 4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.814 6.505 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.060 8.212 4.086 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.488 6.825 1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.794 6.020 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.333 6.657 0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.916 8.322 0.784 1.00 0.00 H new ATOM 656 N SER A 41 -0.454 6.551 2.078 1.00 0.00 N ATOM 657 CA SER A 41 0.261 5.482 1.399 1.00 0.00 C ATOM 658 C SER A 41 1.313 4.882 2.318 1.00 0.00 C ATOM 659 O SER A 41 1.720 3.733 2.154 1.00 0.00 O ATOM 660 CB SER A 41 0.882 5.974 0.096 1.00 0.00 C ATOM 661 OG SER A 41 -0.031 5.820 -0.977 1.00 0.00 O ATOM 0 H SER A 41 -0.143 7.490 1.831 1.00 0.00 H new ATOM 0 HA SER A 41 -0.455 4.701 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.164 7.022 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.795 5.416 -0.112 1.00 0.00 H new ATOM 0 HG SER A 41 -0.921 6.115 -0.694 1.00 0.00 H new ATOM 667 N ALA A 42 1.722 5.650 3.312 1.00 0.00 N ATOM 668 CA ALA A 42 2.678 5.164 4.280 1.00 0.00 C ATOM 669 C ALA A 42 1.956 4.247 5.267 1.00 0.00 C ATOM 670 O ALA A 42 2.565 3.387 5.902 1.00 0.00 O ATOM 671 CB ALA A 42 3.356 6.318 5.002 1.00 0.00 C ATOM 0 H ALA A 42 1.407 6.608 3.466 1.00 0.00 H new ATOM 0 HA ALA A 42 3.459 4.602 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.071 5.925 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.879 6.943 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.605 6.914 5.521 1.00 0.00 H new ATOM 677 N ASN A 43 0.632 4.436 5.369 1.00 0.00 N ATOM 678 CA ASN A 43 -0.203 3.632 6.250 1.00 0.00 C ATOM 679 C ASN A 43 -0.306 2.232 5.690 1.00 0.00 C ATOM 680 O ASN A 43 -0.085 1.240 6.385 1.00 0.00 O ATOM 681 CB ASN A 43 -1.598 4.242 6.322 1.00 0.00 C ATOM 682 CG ASN A 43 -1.681 5.400 7.295 1.00 0.00 C ATOM 683 OD1 ASN A 43 -2.430 5.355 8.271 1.00 0.00 O ATOM 684 ND2 ASN A 43 -0.908 6.448 7.035 1.00 0.00 N ATOM 0 H ASN A 43 0.121 5.146 4.845 1.00 0.00 H new ATOM 0 HA ASN A 43 0.237 3.604 7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.892 4.585 5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.311 3.473 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.920 7.257 7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.302 6.444 6.215 1.00 0.00 H new ATOM 691 N VAL A 44 -0.602 2.175 4.401 1.00 0.00 N ATOM 692 CA VAL A 44 -0.692 0.918 3.685 1.00 0.00 C ATOM 693 C VAL A 44 0.634 0.186 3.821 1.00 0.00 C ATOM 694 O VAL A 44 0.683 -1.010 4.083 1.00 0.00 O ATOM 695 CB VAL A 44 -1.001 1.130 2.194 1.00 0.00 C ATOM 696 CG1 VAL A 44 -2.489 1.011 1.938 1.00 0.00 C ATOM 697 CG2 VAL A 44 -0.502 2.470 1.686 1.00 0.00 C ATOM 0 H VAL A 44 -0.786 2.997 3.826 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.507 0.336 4.115 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.471 0.349 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.689 1.164 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.831 0.019 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.020 1.765 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.745 2.571 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.981 3.273 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.578 2.530 1.818 1.00 0.00 H new ATOM 707 N LEU A 45 1.702 0.952 3.662 1.00 0.00 N ATOM 708 CA LEU A 45 3.063 0.454 3.781 1.00 0.00 C ATOM 709 C LEU A 45 3.326 -0.029 5.201 1.00 0.00 C ATOM 710 O LEU A 45 3.764 -1.159 5.417 1.00 0.00 O ATOM 711 CB LEU A 45 4.043 1.574 3.437 1.00 0.00 C ATOM 712 CG LEU A 45 5.367 1.124 2.827 1.00 0.00 C ATOM 713 CD1 LEU A 45 5.909 2.208 1.910 1.00 0.00 C ATOM 714 CD2 LEU A 45 6.372 0.789 3.918 1.00 0.00 C ATOM 0 H LEU A 45 1.647 1.947 3.444 1.00 0.00 H new ATOM 0 HA LEU A 45 3.197 -0.381 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.556 2.258 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.255 2.139 4.345 1.00 0.00 H new ATOM 0 HG LEU A 45 5.196 0.222 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.854 1.880 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.193 2.401 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.069 3.122 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.310 0.470 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.549 1.671 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.979 -0.015 4.540 1.00 0.00 H new ATOM 725 N ALA A 46 3.052 0.841 6.170 1.00 0.00 N ATOM 726 CA ALA A 46 3.251 0.510 7.576 1.00 0.00 C ATOM 727 C ALA A 46 2.635 -0.842 7.896 1.00 0.00 C ATOM 728 O ALA A 46 3.292 -1.728 8.447 1.00 0.00 O ATOM 729 CB ALA A 46 2.651 1.593 8.461 1.00 0.00 C ATOM 0 H ALA A 46 2.691 1.781 6.006 1.00 0.00 H new ATOM 0 HA ALA A 46 4.322 0.454 7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.806 1.334 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.134 2.546 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.582 1.675 8.262 1.00 0.00 H new ATOM 735 N GLU A 47 1.374 -1.009 7.524 1.00 0.00 N ATOM 736 CA GLU A 47 0.695 -2.261 7.758 1.00 0.00 C ATOM 737 C GLU A 47 1.178 -3.291 6.749 1.00 0.00 C ATOM 738 O GLU A 47 1.276 -4.474 7.062 1.00 0.00 O ATOM 739 CB GLU A 47 -0.818 -2.078 7.670 1.00 0.00 C ATOM 740 CG GLU A 47 -1.396 -1.239 8.798 1.00 0.00 C ATOM 741 CD GLU A 47 -2.009 -2.081 9.898 1.00 0.00 C ATOM 742 OE1 GLU A 47 -1.247 -2.597 10.744 1.00 0.00 O ATOM 743 OE2 GLU A 47 -3.249 -2.224 9.916 1.00 0.00 O ATOM 0 H GLU A 47 0.810 -0.295 7.063 1.00 0.00 H new ATOM 0 HA GLU A 47 0.926 -2.614 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.064 -1.610 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.295 -3.058 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.609 -0.614 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.154 -0.568 8.394 1.00 0.00 H new ATOM 750 N ALA A 48 1.512 -2.833 5.536 1.00 0.00 N ATOM 751 CA ALA A 48 2.012 -3.733 4.495 1.00 0.00 C ATOM 752 C ALA A 48 3.073 -4.669 5.056 1.00 0.00 C ATOM 753 O ALA A 48 3.247 -5.791 4.583 1.00 0.00 O ATOM 754 CB ALA A 48 2.569 -2.937 3.334 1.00 0.00 C ATOM 0 H ALA A 48 1.445 -1.855 5.255 1.00 0.00 H new ATOM 0 HA ALA A 48 1.180 -4.338 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.937 -3.620 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.784 -2.309 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.388 -2.308 3.683 1.00 0.00 H new ATOM 760 N GLN A 49 3.771 -4.188 6.073 1.00 0.00 N ATOM 761 CA GLN A 49 4.815 -4.956 6.723 1.00 0.00 C ATOM 762 C GLN A 49 4.233 -5.882 7.786 1.00 0.00 C ATOM 763 O GLN A 49 4.748 -6.976 8.018 1.00 0.00 O ATOM 764 CB GLN A 49 5.804 -3.992 7.363 1.00 0.00 C ATOM 765 CG GLN A 49 6.986 -3.650 6.473 1.00 0.00 C ATOM 766 CD GLN A 49 8.093 -2.934 7.224 1.00 0.00 C ATOM 767 OE1 GLN A 49 8.297 -1.733 7.052 1.00 0.00 O ATOM 768 NE2 GLN A 49 8.814 -3.672 8.060 1.00 0.00 N ATOM 0 H GLN A 49 3.629 -3.258 6.468 1.00 0.00 H new ATOM 0 HA GLN A 49 5.317 -5.574 5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.282 -3.073 7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.174 -4.428 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.383 -4.566 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.646 -3.023 5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.609 -4.665 8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.573 -3.246 8.592 1.00 0.00 H new ATOM 777 N LYS A 50 3.161 -5.434 8.435 1.00 0.00 N ATOM 778 CA LYS A 50 2.518 -6.226 9.481 1.00 0.00 C ATOM 779 C LYS A 50 1.625 -7.305 8.884 1.00 0.00 C ATOM 780 O LYS A 50 1.613 -8.438 9.352 1.00 0.00 O ATOM 781 CB LYS A 50 1.692 -5.321 10.405 1.00 0.00 C ATOM 782 CG LYS A 50 0.601 -6.051 11.188 1.00 0.00 C ATOM 783 CD LYS A 50 0.864 -6.011 12.685 1.00 0.00 C ATOM 784 CE LYS A 50 -0.116 -6.889 13.450 1.00 0.00 C ATOM 785 NZ LYS A 50 0.577 -7.970 14.202 1.00 0.00 N ATOM 0 H LYS A 50 2.721 -4.531 8.257 1.00 0.00 H new ATOM 0 HA LYS A 50 3.303 -6.711 10.061 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.364 -4.832 11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.230 -4.535 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.366 -5.596 10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.545 -7.088 10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.883 -6.343 12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.787 -4.984 13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.689 -6.274 14.144 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.828 -7.331 12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.125 -8.545 14.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.103 -8.573 13.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.238 -7.549 14.885 1.00 0.00 H new ATOM 799 N LEU A 51 0.864 -6.937 7.866 1.00 0.00 N ATOM 800 CA LEU A 51 -0.049 -7.875 7.226 1.00 0.00 C ATOM 801 C LEU A 51 0.723 -9.037 6.626 1.00 0.00 C ATOM 802 O LEU A 51 0.389 -10.201 6.833 1.00 0.00 O ATOM 803 CB LEU A 51 -0.893 -7.214 6.124 1.00 0.00 C ATOM 804 CG LEU A 51 -1.115 -5.704 6.245 1.00 0.00 C ATOM 805 CD1 LEU A 51 -0.903 -5.022 4.904 1.00 0.00 C ATOM 806 CD2 LEU A 51 -2.498 -5.406 6.787 1.00 0.00 C ATOM 0 H LEU A 51 0.859 -5.999 7.465 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.726 -8.231 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.416 -7.413 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.868 -7.701 6.103 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.383 -5.307 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.066 -3.950 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.116 -5.202 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.607 -5.424 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.634 -4.327 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.249 -5.819 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.607 -5.857 7.773 1.00 0.00 H new ATOM 818 N ASN A 52 1.766 -8.711 5.880 1.00 0.00 N ATOM 819 CA ASN A 52 2.590 -9.734 5.250 1.00 0.00 C ATOM 820 C ASN A 52 3.076 -10.730 6.284 1.00 0.00 C ATOM 821 O ASN A 52 3.152 -11.931 6.026 1.00 0.00 O ATOM 822 CB ASN A 52 3.791 -9.106 4.556 1.00 0.00 C ATOM 823 CG ASN A 52 4.650 -10.137 3.854 1.00 0.00 C ATOM 824 OD1 ASN A 52 4.431 -10.310 2.560 1.00 0.00 O flip ATOM 825 ND2 ASN A 52 5.508 -10.768 4.470 1.00 0.00 N flip ATOM 0 H ASN A 52 2.062 -7.753 5.696 1.00 0.00 H new ATOM 0 HA ASN A 52 1.978 -10.249 4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.445 -8.369 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.394 -8.572 5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.644 -10.604 5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.083 -11.455 3.983 1.00 0.00 H new ATOM 832 N ASP A 53 3.407 -10.217 7.457 1.00 0.00 N ATOM 833 CA ASP A 53 3.890 -11.055 8.533 1.00 0.00 C ATOM 834 C ASP A 53 2.725 -11.607 9.350 1.00 0.00 C ATOM 835 O ASP A 53 2.839 -12.658 9.981 1.00 0.00 O ATOM 836 CB ASP A 53 4.849 -10.285 9.441 1.00 0.00 C ATOM 837 CG ASP A 53 5.815 -9.414 8.663 1.00 0.00 C ATOM 838 OD1 ASP A 53 6.024 -9.685 7.461 1.00 0.00 O ATOM 839 OD2 ASP A 53 6.363 -8.460 9.253 1.00 0.00 O ATOM 0 H ASP A 53 3.349 -9.224 7.685 1.00 0.00 H new ATOM 0 HA ASP A 53 4.433 -11.888 8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.274 -9.662 10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.413 -10.991 10.051 1.00 0.00 H new ATOM 844 N VAL A 54 1.602 -10.888 9.335 1.00 0.00 N ATOM 845 CA VAL A 54 0.418 -11.302 10.075 1.00 0.00 C ATOM 846 C VAL A 54 0.033 -12.740 9.721 1.00 0.00 C ATOM 847 O VAL A 54 -0.609 -13.434 10.507 1.00 0.00 O ATOM 848 CB VAL A 54 -0.779 -10.346 9.819 1.00 0.00 C ATOM 849 CG1 VAL A 54 -1.535 -10.706 8.546 1.00 0.00 C ATOM 850 CG2 VAL A 54 -1.723 -10.369 11.003 1.00 0.00 C ATOM 0 H VAL A 54 1.491 -10.016 8.817 1.00 0.00 H new ATOM 0 HA VAL A 54 0.664 -11.255 11.136 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.375 -9.342 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.364 -10.012 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.861 -10.643 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.922 -11.722 8.628 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.559 -9.696 10.815 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.098 -11.382 11.149 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.192 -10.046 11.898 1.00 0.00 H new ATOM 860 N GLN A 55 0.435 -13.172 8.527 1.00 0.00 N ATOM 861 CA GLN A 55 0.139 -14.521 8.058 1.00 0.00 C ATOM 862 C GLN A 55 1.363 -15.144 7.391 1.00 0.00 C ATOM 863 O GLN A 55 1.244 -15.854 6.394 1.00 0.00 O ATOM 864 CB GLN A 55 -1.034 -14.495 7.074 1.00 0.00 C ATOM 865 CG GLN A 55 -0.724 -13.769 5.774 1.00 0.00 C ATOM 866 CD GLN A 55 -1.794 -12.764 5.398 1.00 0.00 C ATOM 867 OE1 GLN A 55 -2.858 -13.130 4.896 1.00 0.00 O ATOM 868 NE2 GLN A 55 -1.519 -11.486 5.638 1.00 0.00 N ATOM 0 H GLN A 55 0.967 -12.605 7.867 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.133 -15.129 8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.329 -15.519 6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.888 -14.016 7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.234 -13.257 5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.618 -14.499 4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.625 -11.226 6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.202 -10.765 5.405 1.00 0.00 H new ATOM 877 N ALA A 56 2.538 -14.868 7.948 1.00 0.00 N ATOM 878 CA ALA A 56 3.782 -15.400 7.405 1.00 0.00 C ATOM 879 C ALA A 56 4.323 -16.533 8.272 1.00 0.00 C ATOM 880 O ALA A 56 5.163 -16.312 9.145 1.00 0.00 O ATOM 881 CB ALA A 56 4.819 -14.292 7.274 1.00 0.00 C ATOM 0 H ALA A 56 2.654 -14.280 8.773 1.00 0.00 H new ATOM 0 HA ALA A 56 3.571 -15.805 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.742 -14.704 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.442 -13.518 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.016 -13.860 8.255 1.00 0.00 H new ATOM 887 N PRO A 57 3.848 -17.769 8.042 1.00 0.00 N ATOM 888 CA PRO A 57 4.290 -18.940 8.806 1.00 0.00 C ATOM 889 C PRO A 57 5.736 -19.315 8.503 1.00 0.00 C ATOM 890 O PRO A 57 6.259 -19.000 7.434 1.00 0.00 O ATOM 891 CB PRO A 57 3.342 -20.049 8.343 1.00 0.00 C ATOM 892 CG PRO A 57 2.901 -19.625 6.985 1.00 0.00 C ATOM 893 CD PRO A 57 2.846 -18.122 7.019 1.00 0.00 C ATOM 0 HA PRO A 57 4.261 -18.759 9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.847 -21.015 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.494 -20.154 9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.597 -19.973 6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.925 -20.046 6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.091 -17.688 6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.853 -17.762 7.287 1.00 0.00 H new ATOM 901 N LYS A 58 6.378 -19.992 9.451 1.00 0.00 N ATOM 902 CA LYS A 58 7.765 -20.411 9.285 1.00 0.00 C ATOM 903 C LYS A 58 7.980 -21.810 9.854 1.00 0.00 C ATOM 904 O LYS A 58 8.102 -21.987 11.066 1.00 0.00 O ATOM 905 CB LYS A 58 8.709 -19.412 9.972 1.00 0.00 C ATOM 906 CG LYS A 58 9.711 -18.774 9.026 1.00 0.00 C ATOM 907 CD LYS A 58 9.202 -17.448 8.484 1.00 0.00 C ATOM 908 CE LYS A 58 8.691 -17.588 7.058 1.00 0.00 C ATOM 909 NZ LYS A 58 9.728 -17.211 6.057 1.00 0.00 N ATOM 0 H LYS A 58 5.960 -20.262 10.341 1.00 0.00 H new ATOM 0 HA LYS A 58 7.989 -20.434 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.115 -18.628 10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.249 -19.924 10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.655 -18.616 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.914 -19.453 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.402 -17.075 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.003 -16.710 8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.376 -18.617 6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.811 -16.959 6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.341 -17.320 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.011 -16.221 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.558 -17.828 6.167 1.00 0.00 H new ATOM 923 N ALA A 59 8.023 -22.802 8.970 1.00 0.00 N ATOM 924 CA ALA A 59 8.223 -24.186 9.384 1.00 0.00 C ATOM 925 C ALA A 59 8.691 -25.042 8.220 1.00 0.00 C ATOM 926 O ALA A 59 7.961 -25.114 7.210 1.00 0.00 O ATOM 927 CB ALA A 59 6.938 -24.750 9.972 1.00 0.00 C ATOM 928 OXT ALA A 59 9.785 -25.633 8.328 1.00 0.00 O ATOM 0 H ALA A 59 7.922 -22.673 7.963 1.00 0.00 H new ATOM 0 HA ALA A 59 8.999 -24.203 10.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.101 -25.784 10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.644 -24.158 10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.148 -24.713 9.222 1.00 0.00 H new TER 934 ALA A 59