USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 612 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 31 ASN : amide:sc= -0.546 K(o=-1.1,f=-0.39) USER MOD Set 1.2: A 80 SER OG : rot 180:sc= -0.509 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.104) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.021) USER MOD Single : A 13 ASN : amide:sc= -0.53 K(o=-0.53,f=-4.7!) USER MOD Single : A 17 LYS NZ :NH3+ -142:sc= -0.119 (180deg=-0.503) USER MOD Single : A 18 SER OG : rot 173:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 14:sc= 0.437 USER MOD Single : A 25 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.02) USER MOD Single : A 33 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= -0.455 (180deg=-1.95!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 140:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 159:sc=-0.00176 (180deg=-0.147) USER MOD Single : A 43 SER OG : rot 57:sc= 0.56 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 60:sc= -1.03 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -77:sc= 0.0437 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0849 USER MOD Single : A 67 SER OG : rot 43:sc= 1.07 USER MOD Single : A 68 SER OG : rot 99:sc= 1.26 USER MOD Single : A 71 SER OG : rot 51:sc= 0.902 USER MOD Single : A 77 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.92) USER MOD Single : A 78 SER OG : rot 180:sc= -0.286 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -2.01! C(o=-2!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.109 0.616 1.477 1.00 63.15 N ATOM 2 CA MET A 1 2.246 -0.078 0.528 1.00 62.30 C ATOM 3 C MET A 1 3.070 -0.751 -0.566 1.00 2.44 C ATOM 4 O MET A 1 2.694 -0.736 -1.737 1.00 33.14 O ATOM 5 CB MET A 1 1.249 0.899 -0.097 1.00 11.21 C ATOM 6 CG MET A 1 0.021 0.222 -0.685 1.00 4.22 C ATOM 7 SD MET A 1 -1.510 1.077 -0.268 1.00 12.44 S ATOM 8 CE MET A 1 -2.258 1.242 -1.887 1.00 3.31 C ATOM 0 H1 MET A 1 2.527 1.190 2.120 1.00 63.15 H new ATOM 0 H2 MET A 1 3.650 -0.081 2.028 1.00 63.15 H new ATOM 0 H3 MET A 1 3.766 1.235 0.960 1.00 63.15 H new ATOM 0 HA MET A 1 1.698 -0.848 1.071 1.00 62.30 H new ATOM 0 HB2 MET A 1 0.931 1.615 0.661 1.00 11.21 H new ATOM 0 HB3 MET A 1 1.751 1.466 -0.881 1.00 11.21 H new ATOM 0 HG2 MET A 1 0.122 0.174 -1.769 1.00 4.22 H new ATOM 0 HG3 MET A 1 -0.031 -0.805 -0.324 1.00 4.22 H new ATOM 0 HE1 MET A 1 -3.216 1.754 -1.795 1.00 3.31 H new ATOM 0 HE2 MET A 1 -1.599 1.820 -2.535 1.00 3.31 H new ATOM 0 HE3 MET A 1 -2.415 0.253 -2.318 1.00 3.31 H new ATOM 18 N ASN A 2 4.196 -1.339 -0.175 1.00 2.21 N ATOM 19 CA ASN A 2 5.074 -2.016 -1.123 1.00 13.31 C ATOM 20 C ASN A 2 4.561 -3.419 -1.432 1.00 25.23 C ATOM 21 O ASN A 2 4.109 -4.136 -0.540 1.00 12.02 O ATOM 22 CB ASN A 2 6.497 -2.091 -0.568 1.00 25.04 C ATOM 23 CG ASN A 2 7.366 -0.943 -1.045 1.00 15.45 C ATOM 24 OD1 ASN A 2 8.420 -1.154 -1.644 1.00 31.11 O ATOM 25 ND2 ASN A 2 6.925 0.282 -0.779 1.00 72.34 N ATOM 0 H ASN A 2 4.522 -1.360 0.791 1.00 2.21 H new ATOM 0 HA ASN A 2 5.083 -1.440 -2.048 1.00 13.31 H new ATOM 0 HB2 ASN A 2 6.460 -2.086 0.521 1.00 25.04 H new ATOM 0 HB3 ASN A 2 6.951 -3.036 -0.867 1.00 25.04 H new ATOM 0 HD21 ASN A 2 7.467 1.094 -1.074 1.00 72.34 H new ATOM 0 HD22 ASN A 2 6.045 0.410 -0.280 1.00 72.34 H new ATOM 32 N ALA A 3 4.637 -3.805 -2.701 1.00 41.44 N ATOM 33 CA ALA A 3 4.184 -5.123 -3.128 1.00 11.32 C ATOM 34 C ALA A 3 4.743 -5.478 -4.501 1.00 51.45 C ATOM 35 O ALA A 3 4.114 -5.212 -5.525 1.00 60.24 O ATOM 36 CB ALA A 3 2.663 -5.178 -3.144 1.00 64.32 C ATOM 0 H ALA A 3 5.008 -3.223 -3.452 1.00 41.44 H new ATOM 0 HA ALA A 3 4.556 -5.857 -2.413 1.00 11.32 H new ATOM 0 HB1 ALA A 3 2.338 -6.168 -3.465 1.00 64.32 H new ATOM 0 HB2 ALA A 3 2.281 -4.977 -2.143 1.00 64.32 H new ATOM 0 HB3 ALA A 3 2.279 -4.428 -3.836 1.00 64.32 H new ATOM 42 N ALA A 4 5.928 -6.078 -4.516 1.00 23.34 N ATOM 43 CA ALA A 4 6.571 -6.471 -5.764 1.00 1.53 C ATOM 44 C ALA A 4 6.071 -7.832 -6.235 1.00 11.14 C ATOM 45 O ALA A 4 5.381 -8.537 -5.500 1.00 33.32 O ATOM 46 CB ALA A 4 8.083 -6.491 -5.595 1.00 21.01 C ATOM 0 H ALA A 4 6.463 -6.303 -3.677 1.00 23.34 H new ATOM 0 HA ALA A 4 6.311 -5.735 -6.525 1.00 1.53 H new ATOM 0 HB1 ALA A 4 8.550 -6.786 -6.535 1.00 21.01 H new ATOM 0 HB2 ALA A 4 8.431 -5.497 -5.313 1.00 21.01 H new ATOM 0 HB3 ALA A 4 8.353 -7.204 -4.816 1.00 21.01 H new ATOM 52 N GLU A 5 6.423 -8.194 -7.464 1.00 44.13 N ATOM 53 CA GLU A 5 6.008 -9.471 -8.033 1.00 10.24 C ATOM 54 C GLU A 5 7.045 -10.555 -7.751 1.00 15.32 C ATOM 55 O GLU A 5 8.142 -10.540 -8.308 1.00 60.04 O ATOM 56 CB GLU A 5 5.792 -9.337 -9.541 1.00 54.44 C ATOM 57 CG GLU A 5 6.981 -8.742 -10.276 1.00 63.34 C ATOM 58 CD GLU A 5 6.645 -7.437 -10.972 1.00 20.35 C ATOM 59 OE1 GLU A 5 6.313 -6.460 -10.269 1.00 2.24 O ATOM 60 OE2 GLU A 5 6.713 -7.393 -12.218 1.00 23.45 O ATOM 0 H GLU A 5 6.995 -7.621 -8.085 1.00 44.13 H new ATOM 0 HA GLU A 5 5.068 -9.760 -7.563 1.00 10.24 H new ATOM 0 HB2 GLU A 5 5.574 -10.321 -9.957 1.00 54.44 H new ATOM 0 HB3 GLU A 5 4.916 -8.714 -9.720 1.00 54.44 H new ATOM 0 HG2 GLU A 5 7.793 -8.573 -9.569 1.00 63.34 H new ATOM 0 HG3 GLU A 5 7.344 -9.459 -11.012 1.00 63.34 H new ATOM 67 N VAL A 6 6.688 -11.494 -6.881 1.00 21.34 N ATOM 68 CA VAL A 6 7.586 -12.586 -6.524 1.00 71.42 C ATOM 69 C VAL A 6 7.016 -13.931 -6.962 1.00 22.12 C ATOM 70 O VAL A 6 5.828 -14.200 -6.784 1.00 71.52 O ATOM 71 CB VAL A 6 7.851 -12.623 -5.007 1.00 42.35 C ATOM 72 CG1 VAL A 6 8.711 -13.824 -4.644 1.00 53.11 C ATOM 73 CG2 VAL A 6 8.508 -11.329 -4.551 1.00 2.11 C ATOM 0 H VAL A 6 5.783 -11.521 -6.410 1.00 21.34 H new ATOM 0 HA VAL A 6 8.526 -12.405 -7.045 1.00 71.42 H new ATOM 0 HB VAL A 6 6.896 -12.721 -4.491 1.00 42.35 H new ATOM 0 HG11 VAL A 6 8.888 -13.833 -3.568 1.00 53.11 H new ATOM 0 HG12 VAL A 6 8.198 -14.740 -4.935 1.00 53.11 H new ATOM 0 HG13 VAL A 6 9.665 -13.760 -5.168 1.00 53.11 H new ATOM 0 HG21 VAL A 6 8.688 -11.371 -3.477 1.00 2.11 H new ATOM 0 HG22 VAL A 6 9.456 -11.198 -5.073 1.00 2.11 H new ATOM 0 HG23 VAL A 6 7.851 -10.489 -4.776 1.00 2.11 H new ATOM 83 N ILE A 7 7.871 -14.772 -7.534 1.00 5.21 N ATOM 84 CA ILE A 7 7.453 -16.090 -7.995 1.00 44.33 C ATOM 85 C ILE A 7 8.408 -17.173 -7.504 1.00 11.42 C ATOM 86 O ILE A 7 9.555 -17.251 -7.945 1.00 34.44 O ATOM 87 CB ILE A 7 7.375 -16.149 -9.532 1.00 70.33 C ATOM 88 CG1 ILE A 7 7.094 -17.580 -9.995 1.00 74.23 C ATOM 89 CG2 ILE A 7 8.666 -15.631 -10.149 1.00 32.51 C ATOM 90 CD1 ILE A 7 6.884 -17.702 -11.488 1.00 62.04 C ATOM 0 H ILE A 7 8.857 -14.564 -7.689 1.00 5.21 H new ATOM 0 HA ILE A 7 6.461 -16.269 -7.581 1.00 44.33 H new ATOM 0 HB ILE A 7 6.556 -15.512 -9.864 1.00 70.33 H new ATOM 0 HG12 ILE A 7 7.927 -18.219 -9.700 1.00 74.23 H new ATOM 0 HG13 ILE A 7 6.208 -17.953 -9.480 1.00 74.23 H new ATOM 0 HG21 ILE A 7 8.595 -15.679 -11.236 1.00 32.51 H new ATOM 0 HG22 ILE A 7 8.827 -14.598 -9.841 1.00 32.51 H new ATOM 0 HG23 ILE A 7 9.502 -16.244 -9.812 1.00 32.51 H new ATOM 0 HD11 ILE A 7 6.690 -18.744 -11.744 1.00 62.04 H new ATOM 0 HD12 ILE A 7 6.033 -17.090 -11.787 1.00 62.04 H new ATOM 0 HD13 ILE A 7 7.778 -17.360 -12.010 1.00 62.04 H new ATOM 102 N VAL A 8 7.926 -18.008 -6.589 1.00 0.45 N ATOM 103 CA VAL A 8 8.735 -19.089 -6.039 1.00 0.34 C ATOM 104 C VAL A 8 8.018 -20.428 -6.160 1.00 73.43 C ATOM 105 O VAL A 8 6.798 -20.507 -6.010 1.00 23.54 O ATOM 106 CB VAL A 8 9.079 -18.836 -4.559 1.00 10.52 C ATOM 107 CG1 VAL A 8 10.104 -19.847 -4.068 1.00 40.41 C ATOM 108 CG2 VAL A 8 9.585 -17.414 -4.366 1.00 22.15 C ATOM 0 H VAL A 8 6.979 -17.956 -6.213 1.00 0.45 H new ATOM 0 HA VAL A 8 9.657 -19.120 -6.619 1.00 0.34 H new ATOM 0 HB VAL A 8 8.172 -18.958 -3.967 1.00 10.52 H new ATOM 0 HG11 VAL A 8 10.334 -19.652 -3.021 1.00 40.41 H new ATOM 0 HG12 VAL A 8 9.699 -20.854 -4.169 1.00 40.41 H new ATOM 0 HG13 VAL A 8 11.014 -19.760 -4.662 1.00 40.41 H new ATOM 0 HG21 VAL A 8 9.823 -17.252 -3.315 1.00 22.15 H new ATOM 0 HG22 VAL A 8 10.480 -17.261 -4.969 1.00 22.15 H new ATOM 0 HG23 VAL A 8 8.814 -16.708 -4.676 1.00 22.15 H new ATOM 118 N TYR A 9 8.782 -21.480 -6.433 1.00 43.22 N ATOM 119 CA TYR A 9 8.220 -22.817 -6.577 1.00 73.22 C ATOM 120 C TYR A 9 8.354 -23.607 -5.279 1.00 64.52 C ATOM 121 O TYR A 9 9.374 -23.528 -4.595 1.00 13.53 O ATOM 122 CB TYR A 9 8.913 -23.565 -7.717 1.00 63.10 C ATOM 123 CG TYR A 9 8.377 -23.214 -9.086 1.00 42.24 C ATOM 124 CD1 TYR A 9 8.311 -21.892 -9.510 1.00 0.12 C ATOM 125 CD2 TYR A 9 7.936 -24.203 -9.956 1.00 71.04 C ATOM 126 CE1 TYR A 9 7.821 -21.566 -10.760 1.00 3.02 C ATOM 127 CE2 TYR A 9 7.446 -23.886 -11.209 1.00 21.54 C ATOM 128 CZ TYR A 9 7.391 -22.567 -11.606 1.00 14.33 C ATOM 129 OH TYR A 9 6.902 -22.247 -12.852 1.00 20.12 O ATOM 0 H TYR A 9 9.793 -21.432 -6.559 1.00 43.22 H new ATOM 0 HA TYR A 9 7.160 -22.715 -6.811 1.00 73.22 H new ATOM 0 HB2 TYR A 9 9.981 -23.347 -7.687 1.00 63.10 H new ATOM 0 HB3 TYR A 9 8.802 -24.637 -7.557 1.00 63.10 H new ATOM 0 HD1 TYR A 9 8.649 -21.106 -8.851 1.00 0.12 H new ATOM 0 HD2 TYR A 9 7.977 -25.237 -9.648 1.00 71.04 H new ATOM 0 HE1 TYR A 9 7.775 -20.533 -11.073 1.00 3.02 H new ATOM 0 HE2 TYR A 9 7.108 -24.667 -11.873 1.00 21.54 H new ATOM 0 HH TYR A 9 6.643 -23.067 -13.322 1.00 20.12 H new ATOM 139 N GLU A 10 7.317 -24.371 -4.948 1.00 45.24 N ATOM 140 CA GLU A 10 7.319 -25.176 -3.733 1.00 5.03 C ATOM 141 C GLU A 10 7.674 -26.628 -4.042 1.00 2.40 C ATOM 142 O GLU A 10 7.149 -27.553 -3.421 1.00 43.52 O ATOM 143 CB GLU A 10 5.953 -25.108 -3.047 1.00 61.33 C ATOM 144 CG GLU A 10 5.985 -25.519 -1.585 1.00 12.23 C ATOM 145 CD GLU A 10 5.120 -24.631 -0.711 1.00 31.32 C ATOM 146 OE1 GLU A 10 5.617 -23.578 -0.260 1.00 42.02 O ATOM 147 OE2 GLU A 10 3.947 -24.990 -0.477 1.00 52.33 O ATOM 0 H GLU A 10 6.466 -24.449 -5.504 1.00 45.24 H new ATOM 0 HA GLU A 10 8.075 -24.771 -3.061 1.00 5.03 H new ATOM 0 HB2 GLU A 10 5.569 -24.091 -3.121 1.00 61.33 H new ATOM 0 HB3 GLU A 10 5.255 -25.752 -3.582 1.00 61.33 H new ATOM 0 HG2 GLU A 10 5.648 -26.552 -1.494 1.00 12.23 H new ATOM 0 HG3 GLU A 10 7.013 -25.487 -1.225 1.00 12.23 H new ATOM 154 N HIS A 11 8.568 -26.819 -5.007 1.00 25.44 N ATOM 155 CA HIS A 11 8.994 -28.158 -5.399 1.00 61.22 C ATOM 156 C HIS A 11 9.931 -28.100 -6.602 1.00 53.52 C ATOM 157 O HIS A 11 10.384 -27.025 -6.997 1.00 24.30 O ATOM 158 CB HIS A 11 7.779 -29.027 -5.726 1.00 23.22 C ATOM 159 CG HIS A 11 7.647 -30.229 -4.841 1.00 42.34 C ATOM 160 ND1 HIS A 11 7.260 -31.467 -5.307 1.00 72.34 N ATOM 161 CD2 HIS A 11 7.855 -30.377 -3.512 1.00 41.41 C ATOM 162 CE1 HIS A 11 7.234 -32.325 -4.303 1.00 14.33 C ATOM 163 NE2 HIS A 11 7.591 -31.688 -3.202 1.00 62.11 N ATOM 0 H HIS A 11 9.011 -26.065 -5.531 1.00 25.44 H new ATOM 0 HA HIS A 11 9.533 -28.601 -4.562 1.00 61.22 H new ATOM 0 HB2 HIS A 11 6.876 -28.422 -5.641 1.00 23.22 H new ATOM 0 HB3 HIS A 11 7.846 -29.355 -6.763 1.00 23.22 H new ATOM 0 HD2 HIS A 11 8.170 -29.607 -2.823 1.00 41.41 H new ATOM 0 HE1 HIS A 11 6.967 -33.369 -4.371 1.00 14.33 H new ATOM 0 HE2 HIS A 11 7.659 -32.103 -2.273 1.00 62.11 H new ATOM 171 N VAL A 12 10.217 -29.262 -7.181 1.00 12.43 N ATOM 172 CA VAL A 12 11.099 -29.343 -8.339 1.00 10.53 C ATOM 173 C VAL A 12 10.504 -28.608 -9.535 1.00 61.31 C ATOM 174 O VAL A 12 9.298 -28.373 -9.595 1.00 1.04 O ATOM 175 CB VAL A 12 11.374 -30.806 -8.733 1.00 44.43 C ATOM 176 CG1 VAL A 12 12.540 -30.886 -9.708 1.00 12.24 C ATOM 177 CG2 VAL A 12 11.644 -31.649 -7.496 1.00 40.13 C ATOM 0 H VAL A 12 9.850 -30.160 -6.867 1.00 12.43 H new ATOM 0 HA VAL A 12 12.039 -28.868 -8.056 1.00 10.53 H new ATOM 0 HB VAL A 12 10.488 -31.203 -9.229 1.00 44.43 H new ATOM 0 HG11 VAL A 12 12.720 -31.927 -9.975 1.00 12.24 H new ATOM 0 HG12 VAL A 12 12.303 -30.316 -10.607 1.00 12.24 H new ATOM 0 HG13 VAL A 12 13.434 -30.472 -9.241 1.00 12.24 H new ATOM 0 HG21 VAL A 12 11.836 -32.680 -7.793 1.00 40.13 H new ATOM 0 HG22 VAL A 12 12.513 -31.255 -6.970 1.00 40.13 H new ATOM 0 HG23 VAL A 12 10.776 -31.617 -6.837 1.00 40.13 H new ATOM 187 N ASN A 13 11.359 -28.249 -10.487 1.00 23.20 N ATOM 188 CA ASN A 13 10.918 -27.541 -11.683 1.00 62.02 C ATOM 189 C ASN A 13 10.444 -28.521 -12.752 1.00 21.31 C ATOM 190 O ASN A 13 10.916 -28.493 -13.889 1.00 21.34 O ATOM 191 CB ASN A 13 12.052 -26.676 -12.236 1.00 43.42 C ATOM 192 CG ASN A 13 13.311 -27.477 -12.508 1.00 51.34 C ATOM 193 OD1 ASN A 13 13.309 -28.705 -12.423 1.00 51.20 O ATOM 194 ND2 ASN A 13 14.394 -26.783 -12.838 1.00 0.31 N ATOM 0 H ASN A 13 12.361 -28.437 -10.453 1.00 23.20 H new ATOM 0 HA ASN A 13 10.081 -26.899 -11.407 1.00 62.02 H new ATOM 0 HB2 ASN A 13 11.723 -26.197 -13.158 1.00 43.42 H new ATOM 0 HB3 ASN A 13 12.277 -25.880 -11.526 1.00 43.42 H new ATOM 0 HD21 ASN A 13 15.270 -27.267 -13.033 1.00 0.31 H new ATOM 0 HD22 ASN A 13 14.350 -25.766 -12.896 1.00 0.31 H new ATOM 201 N PHE A 14 9.507 -29.387 -12.379 1.00 64.10 N ATOM 202 CA PHE A 14 8.969 -30.377 -13.305 1.00 10.31 C ATOM 203 C PHE A 14 7.862 -31.194 -12.645 1.00 0.53 C ATOM 204 O PHE A 14 7.633 -32.349 -12.998 1.00 61.45 O ATOM 205 CB PHE A 14 10.081 -31.306 -13.795 1.00 23.23 C ATOM 206 CG PHE A 14 10.329 -32.476 -12.885 1.00 52.15 C ATOM 207 CD1 PHE A 14 10.444 -32.294 -11.517 1.00 33.13 C ATOM 208 CD2 PHE A 14 10.447 -33.757 -13.400 1.00 22.13 C ATOM 209 CE1 PHE A 14 10.671 -33.368 -10.677 1.00 62.41 C ATOM 210 CE2 PHE A 14 10.674 -34.835 -12.565 1.00 61.01 C ATOM 211 CZ PHE A 14 10.788 -34.640 -11.202 1.00 75.33 C ATOM 0 H PHE A 14 9.105 -29.423 -11.442 1.00 64.10 H new ATOM 0 HA PHE A 14 8.546 -29.847 -14.158 1.00 10.31 H new ATOM 0 HB2 PHE A 14 9.824 -31.676 -14.787 1.00 23.23 H new ATOM 0 HB3 PHE A 14 11.003 -30.734 -13.897 1.00 23.23 H new ATOM 0 HD1 PHE A 14 10.355 -31.301 -11.102 1.00 33.13 H new ATOM 0 HD2 PHE A 14 10.361 -33.915 -14.465 1.00 22.13 H new ATOM 0 HE1 PHE A 14 10.757 -33.213 -9.612 1.00 62.41 H new ATOM 0 HE2 PHE A 14 10.762 -35.829 -12.978 1.00 61.01 H new ATOM 0 HZ PHE A 14 10.968 -35.481 -10.548 1.00 75.33 H new ATOM 221 N GLY A 15 7.178 -30.583 -11.682 1.00 11.12 N ATOM 222 CA GLY A 15 6.104 -31.268 -10.986 1.00 51.43 C ATOM 223 C GLY A 15 5.873 -30.719 -9.592 1.00 42.34 C ATOM 224 O GLY A 15 5.815 -31.473 -8.622 1.00 65.13 O ATOM 0 H GLY A 15 7.348 -29.626 -11.372 1.00 11.12 H new ATOM 0 HA2 GLY A 15 5.185 -31.179 -11.565 1.00 51.43 H new ATOM 0 HA3 GLY A 15 6.337 -32.331 -10.920 1.00 51.43 H new ATOM 228 N GLY A 16 5.742 -29.399 -9.491 1.00 64.34 N ATOM 229 CA GLY A 16 5.520 -28.772 -8.202 1.00 23.44 C ATOM 230 C GLY A 16 4.556 -27.606 -8.282 1.00 51.34 C ATOM 231 O GLY A 16 4.172 -27.182 -9.373 1.00 12.13 O ATOM 0 H GLY A 16 5.786 -28.753 -10.280 1.00 64.34 H new ATOM 0 HA2 GLY A 16 5.132 -29.513 -7.503 1.00 23.44 H new ATOM 0 HA3 GLY A 16 6.473 -28.425 -7.802 1.00 23.44 H new ATOM 235 N LYS A 17 4.161 -27.085 -7.125 1.00 63.23 N ATOM 236 CA LYS A 17 3.235 -25.961 -7.068 1.00 41.50 C ATOM 237 C LYS A 17 3.987 -24.644 -6.901 1.00 24.12 C ATOM 238 O LYS A 17 4.791 -24.490 -5.981 1.00 63.25 O ATOM 239 CB LYS A 17 2.247 -26.145 -5.914 1.00 72.53 C ATOM 240 CG LYS A 17 0.900 -25.485 -6.155 1.00 62.32 C ATOM 241 CD LYS A 17 0.624 -24.393 -5.136 1.00 4.13 C ATOM 242 CE LYS A 17 0.462 -24.965 -3.736 1.00 21.12 C ATOM 243 NZ LYS A 17 -0.586 -26.022 -3.687 1.00 12.34 N ATOM 0 H LYS A 17 4.468 -27.424 -6.213 1.00 63.23 H new ATOM 0 HA LYS A 17 2.685 -25.929 -8.008 1.00 41.50 H new ATOM 0 HB2 LYS A 17 2.095 -27.211 -5.744 1.00 72.53 H new ATOM 0 HB3 LYS A 17 2.685 -25.736 -5.003 1.00 72.53 H new ATOM 0 HG2 LYS A 17 0.876 -25.061 -7.159 1.00 62.32 H new ATOM 0 HG3 LYS A 17 0.112 -26.236 -6.107 1.00 62.32 H new ATOM 0 HD2 LYS A 17 1.442 -23.672 -5.143 1.00 4.13 H new ATOM 0 HD3 LYS A 17 -0.280 -23.852 -5.416 1.00 4.13 H new ATOM 0 HE2 LYS A 17 1.413 -25.380 -3.401 1.00 21.12 H new ATOM 0 HE3 LYS A 17 0.202 -24.164 -3.044 1.00 21.12 H new ATOM 0 HZ1 LYS A 17 -1.118 -25.943 -2.797 1.00 12.34 H new ATOM 0 HZ2 LYS A 17 -1.236 -25.904 -4.490 1.00 12.34 H new ATOM 0 HZ3 LYS A 17 -0.137 -26.959 -3.740 1.00 12.34 H new ATOM 257 N SER A 18 3.720 -23.697 -7.794 1.00 71.25 N ATOM 258 CA SER A 18 4.374 -22.395 -7.747 1.00 15.42 C ATOM 259 C SER A 18 3.351 -21.281 -7.540 1.00 23.11 C ATOM 260 O SER A 18 2.172 -21.439 -7.855 1.00 34.22 O ATOM 261 CB SER A 18 5.160 -22.147 -9.036 1.00 32.53 C ATOM 262 OG SER A 18 4.293 -21.814 -10.106 1.00 72.30 O ATOM 0 H SER A 18 3.055 -23.807 -8.559 1.00 71.25 H new ATOM 0 HA SER A 18 5.064 -22.394 -6.904 1.00 15.42 H new ATOM 0 HB2 SER A 18 5.876 -21.340 -8.879 1.00 32.53 H new ATOM 0 HB3 SER A 18 5.734 -23.037 -9.293 1.00 32.53 H new ATOM 0 HG SER A 18 4.823 -21.556 -10.889 1.00 72.30 H new ATOM 268 N PHE A 19 3.813 -20.154 -7.008 1.00 32.21 N ATOM 269 CA PHE A 19 2.940 -19.013 -6.757 1.00 73.42 C ATOM 270 C PHE A 19 3.273 -17.857 -7.695 1.00 3.21 C ATOM 271 O PHE A 19 4.305 -17.202 -7.548 1.00 24.03 O ATOM 272 CB PHE A 19 3.066 -18.558 -5.302 1.00 10.30 C ATOM 273 CG PHE A 19 3.121 -19.694 -4.321 1.00 3.52 C ATOM 274 CD1 PHE A 19 2.159 -20.690 -4.340 1.00 61.40 C ATOM 275 CD2 PHE A 19 4.136 -19.765 -3.380 1.00 14.34 C ATOM 276 CE1 PHE A 19 2.207 -21.736 -3.438 1.00 24.23 C ATOM 277 CE2 PHE A 19 4.189 -20.808 -2.475 1.00 22.31 C ATOM 278 CZ PHE A 19 3.224 -21.796 -2.505 1.00 3.12 C ATOM 0 H PHE A 19 4.787 -20.006 -6.742 1.00 32.21 H new ATOM 0 HA PHE A 19 1.913 -19.325 -6.945 1.00 73.42 H new ATOM 0 HB2 PHE A 19 3.966 -17.953 -5.196 1.00 10.30 H new ATOM 0 HB3 PHE A 19 2.220 -17.917 -5.056 1.00 10.30 H new ATOM 0 HD1 PHE A 19 1.362 -20.649 -5.068 1.00 61.40 H new ATOM 0 HD2 PHE A 19 4.894 -18.996 -3.354 1.00 14.34 H new ATOM 0 HE1 PHE A 19 1.450 -22.506 -3.463 1.00 24.23 H new ATOM 0 HE2 PHE A 19 4.984 -20.851 -1.745 1.00 22.31 H new ATOM 0 HZ PHE A 19 3.265 -22.614 -1.801 1.00 3.12 H new ATOM 288 N ASP A 20 2.393 -17.612 -8.659 1.00 72.20 N ATOM 289 CA ASP A 20 2.592 -16.535 -9.621 1.00 43.33 C ATOM 290 C ASP A 20 1.480 -15.496 -9.512 1.00 64.03 C ATOM 291 O ASP A 20 0.992 -14.988 -10.521 1.00 14.53 O ATOM 292 CB ASP A 20 2.646 -17.096 -11.043 1.00 53.52 C ATOM 293 CG ASP A 20 3.100 -16.063 -12.056 1.00 53.12 C ATOM 294 OD1 ASP A 20 4.121 -15.390 -11.801 1.00 72.23 O ATOM 295 OD2 ASP A 20 2.434 -15.928 -13.104 1.00 64.12 O ATOM 0 H ASP A 20 1.534 -18.145 -8.795 1.00 72.20 H new ATOM 0 HA ASP A 20 3.541 -16.049 -9.394 1.00 43.33 H new ATOM 0 HB2 ASP A 20 3.325 -17.949 -11.069 1.00 53.52 H new ATOM 0 HB3 ASP A 20 1.659 -17.466 -11.322 1.00 53.52 H new ATOM 300 N ALA A 21 1.085 -15.187 -8.282 1.00 1.33 N ATOM 301 CA ALA A 21 0.032 -14.208 -8.041 1.00 33.40 C ATOM 302 C ALA A 21 0.279 -13.443 -6.746 1.00 4.52 C ATOM 303 O ALA A 21 0.530 -14.038 -5.697 1.00 75.44 O ATOM 304 CB ALA A 21 -1.326 -14.894 -8.000 1.00 1.13 C ATOM 0 H ALA A 21 1.478 -15.600 -7.436 1.00 1.33 H new ATOM 0 HA ALA A 21 0.041 -13.492 -8.862 1.00 33.40 H new ATOM 0 HB1 ALA A 21 -2.103 -14.152 -7.819 1.00 1.13 H new ATOM 0 HB2 ALA A 21 -1.512 -15.390 -8.953 1.00 1.13 H new ATOM 0 HB3 ALA A 21 -1.336 -15.633 -7.199 1.00 1.13 H new ATOM 310 N THR A 22 0.209 -12.117 -6.824 1.00 61.25 N ATOM 311 CA THR A 22 0.428 -11.270 -5.659 1.00 54.32 C ATOM 312 C THR A 22 -0.831 -11.175 -4.805 1.00 12.24 C ATOM 313 O THR A 22 -1.879 -10.732 -5.274 1.00 14.34 O ATOM 314 CB THR A 22 0.863 -9.851 -6.070 1.00 44.33 C ATOM 315 OG1 THR A 22 0.979 -9.019 -4.911 1.00 2.52 O ATOM 316 CG2 THR A 22 -0.134 -9.239 -7.042 1.00 41.44 C ATOM 0 H THR A 22 0.002 -11.607 -7.683 1.00 61.25 H new ATOM 0 HA THR A 22 1.225 -11.732 -5.077 1.00 54.32 H new ATOM 0 HB THR A 22 1.832 -9.921 -6.565 1.00 44.33 H new ATOM 0 HG1 THR A 22 1.257 -8.119 -5.181 1.00 2.52 H new ATOM 0 HG21 THR A 22 0.195 -8.237 -7.318 1.00 41.44 H new ATOM 0 HG22 THR A 22 -0.198 -9.859 -7.936 1.00 41.44 H new ATOM 0 HG23 THR A 22 -1.115 -9.182 -6.570 1.00 41.44 H new ATOM 324 N SER A 23 -0.721 -11.593 -3.548 1.00 24.22 N ATOM 325 CA SER A 23 -1.852 -11.558 -2.628 1.00 63.11 C ATOM 326 C SER A 23 -1.375 -11.413 -1.186 1.00 60.11 C ATOM 327 O SER A 23 -1.350 -10.312 -0.637 1.00 14.34 O ATOM 328 CB SER A 23 -2.694 -12.827 -2.774 1.00 11.23 C ATOM 329 OG SER A 23 -3.484 -12.782 -3.949 1.00 73.21 O ATOM 0 H SER A 23 0.140 -11.960 -3.143 1.00 24.22 H new ATOM 0 HA SER A 23 -2.466 -10.693 -2.878 1.00 63.11 H new ATOM 0 HB2 SER A 23 -2.041 -13.699 -2.804 1.00 11.23 H new ATOM 0 HB3 SER A 23 -3.339 -12.942 -1.903 1.00 11.23 H new ATOM 0 HG SER A 23 -3.168 -12.057 -4.528 1.00 73.21 H new ATOM 335 N ASP A 24 -0.997 -12.533 -0.579 1.00 53.13 N ATOM 336 CA ASP A 24 -0.520 -12.532 0.799 1.00 60.23 C ATOM 337 C ASP A 24 -0.027 -13.918 1.204 1.00 51.04 C ATOM 338 O ASP A 24 -0.682 -14.619 1.975 1.00 52.43 O ATOM 339 CB ASP A 24 -1.631 -12.076 1.745 1.00 0.45 C ATOM 340 CG ASP A 24 -1.201 -12.105 3.199 1.00 11.50 C ATOM 341 OD1 ASP A 24 -0.426 -11.214 3.607 1.00 63.23 O ATOM 342 OD2 ASP A 24 -1.641 -13.017 3.929 1.00 3.02 O ATOM 0 H ASP A 24 -1.012 -13.453 -1.020 1.00 53.13 H new ATOM 0 HA ASP A 24 0.315 -11.834 0.868 1.00 60.23 H new ATOM 0 HB2 ASP A 24 -1.938 -11.064 1.480 1.00 0.45 H new ATOM 0 HB3 ASP A 24 -2.502 -12.718 1.614 1.00 0.45 H new ATOM 347 N GLN A 25 1.130 -14.306 0.677 1.00 20.05 N ATOM 348 CA GLN A 25 1.709 -15.609 0.983 1.00 0.13 C ATOM 349 C GLN A 25 2.483 -15.566 2.297 1.00 43.24 C ATOM 350 O GLN A 25 2.840 -14.501 2.800 1.00 1.43 O ATOM 351 CB GLN A 25 2.631 -16.060 -0.151 1.00 54.02 C ATOM 352 CG GLN A 25 2.065 -17.205 -0.975 1.00 61.35 C ATOM 353 CD GLN A 25 1.211 -16.726 -2.133 1.00 3.53 C ATOM 354 OE1 GLN A 25 0.047 -17.105 -2.259 1.00 72.12 O ATOM 355 NE2 GLN A 25 1.787 -15.886 -2.985 1.00 41.03 N ATOM 0 H GLN A 25 1.684 -13.737 0.037 1.00 20.05 H new ATOM 0 HA GLN A 25 0.894 -16.325 1.086 1.00 0.13 H new ATOM 0 HB2 GLN A 25 2.827 -15.213 -0.808 1.00 54.02 H new ATOM 0 HB3 GLN A 25 3.589 -16.365 0.270 1.00 54.02 H new ATOM 0 HG2 GLN A 25 2.886 -17.810 -1.360 1.00 61.35 H new ATOM 0 HG3 GLN A 25 1.468 -17.850 -0.331 1.00 61.35 H new ATOM 0 HE21 GLN A 25 2.755 -15.598 -2.842 1.00 41.03 H new ATOM 0 HE22 GLN A 25 1.261 -15.528 -3.783 1.00 41.03 H new ATOM 364 N PRO A 26 2.750 -16.751 2.866 1.00 11.40 N ATOM 365 CA PRO A 26 3.485 -16.875 4.128 1.00 13.43 C ATOM 366 C PRO A 26 4.976 -16.607 3.959 1.00 24.34 C ATOM 367 O PRO A 26 5.692 -16.386 4.935 1.00 12.34 O ATOM 368 CB PRO A 26 3.245 -18.330 4.537 1.00 62.34 C ATOM 369 CG PRO A 26 2.983 -19.045 3.256 1.00 41.32 C ATOM 370 CD PRO A 26 2.355 -18.060 2.321 1.00 31.31 C ATOM 0 HA PRO A 26 3.149 -16.149 4.869 1.00 13.43 H new ATOM 0 HB2 PRO A 26 4.112 -18.745 5.052 1.00 62.34 H new ATOM 0 HB3 PRO A 26 2.399 -18.415 5.218 1.00 62.34 H new ATOM 0 HG2 PRO A 26 3.910 -19.436 2.837 1.00 41.32 H new ATOM 0 HG3 PRO A 26 2.322 -19.897 3.419 1.00 41.32 H new ATOM 0 HD2 PRO A 26 2.715 -18.193 1.301 1.00 31.31 H new ATOM 0 HD3 PRO A 26 1.271 -18.171 2.294 1.00 31.31 H new ATOM 378 N GLY A 27 5.440 -16.629 2.713 1.00 32.42 N ATOM 379 CA GLY A 27 6.844 -16.387 2.440 1.00 63.54 C ATOM 380 C GLY A 27 7.717 -17.576 2.792 1.00 12.34 C ATOM 381 O GLY A 27 8.103 -18.352 1.919 1.00 43.51 O ATOM 0 H GLY A 27 4.868 -16.810 1.888 1.00 32.42 H new ATOM 0 HA2 GLY A 27 6.970 -16.148 1.384 1.00 63.54 H new ATOM 0 HA3 GLY A 27 7.176 -15.516 3.006 1.00 63.54 H new ATOM 385 N ALA A 28 8.029 -17.718 4.076 1.00 2.13 N ATOM 386 CA ALA A 28 8.861 -18.820 4.543 1.00 63.15 C ATOM 387 C ALA A 28 8.462 -19.253 5.949 1.00 13.10 C ATOM 388 O ALA A 28 7.480 -18.761 6.505 1.00 24.50 O ATOM 389 CB ALA A 28 10.330 -18.424 4.507 1.00 30.04 C ATOM 0 H ALA A 28 7.718 -17.083 4.811 1.00 2.13 H new ATOM 0 HA ALA A 28 8.707 -19.667 3.874 1.00 63.15 H new ATOM 0 HB1 ALA A 28 10.940 -19.256 4.858 1.00 30.04 H new ATOM 0 HB2 ALA A 28 10.614 -18.172 3.485 1.00 30.04 H new ATOM 0 HB3 ALA A 28 10.490 -17.560 5.152 1.00 30.04 H new ATOM 395 N GLY A 29 9.229 -20.177 6.519 1.00 32.24 N ATOM 396 CA GLY A 29 8.937 -20.661 7.856 1.00 25.22 C ATOM 397 C GLY A 29 8.369 -22.066 7.853 1.00 72.31 C ATOM 398 O GLY A 29 7.749 -22.495 8.826 1.00 12.45 O ATOM 0 H GLY A 29 10.047 -20.599 6.079 1.00 32.24 H new ATOM 0 HA2 GLY A 29 9.849 -20.642 8.453 1.00 25.22 H new ATOM 0 HA3 GLY A 29 8.228 -19.987 8.336 1.00 25.22 H new ATOM 402 N ASP A 30 8.578 -22.785 6.755 1.00 3.05 N ATOM 403 CA ASP A 30 8.081 -24.150 6.629 1.00 24.11 C ATOM 404 C ASP A 30 9.017 -24.991 5.766 1.00 32.21 C ATOM 405 O ASP A 30 8.663 -25.391 4.658 1.00 51.22 O ATOM 406 CB ASP A 30 6.675 -24.150 6.028 1.00 60.01 C ATOM 407 CG ASP A 30 5.973 -25.483 6.196 1.00 24.41 C ATOM 408 OD1 ASP A 30 6.537 -26.369 6.872 1.00 1.24 O ATOM 409 OD2 ASP A 30 4.861 -25.642 5.651 1.00 50.14 O ATOM 0 H ASP A 30 9.088 -22.445 5.940 1.00 3.05 H new ATOM 0 HA ASP A 30 8.041 -24.590 7.626 1.00 24.11 H new ATOM 0 HB2 ASP A 30 6.081 -23.368 6.501 1.00 60.01 H new ATOM 0 HB3 ASP A 30 6.737 -23.906 4.967 1.00 60.01 H new ATOM 414 N ASN A 31 10.213 -25.255 6.282 1.00 12.14 N ATOM 415 CA ASN A 31 11.200 -26.047 5.558 1.00 22.11 C ATOM 416 C ASN A 31 11.755 -27.163 6.439 1.00 52.40 C ATOM 417 O ASN A 31 11.316 -27.348 7.575 1.00 60.01 O ATOM 418 CB ASN A 31 12.341 -25.154 5.068 1.00 5.32 C ATOM 419 CG ASN A 31 12.807 -24.176 6.130 1.00 24.40 C ATOM 420 OD1 ASN A 31 13.688 -24.487 6.932 1.00 64.21 O ATOM 421 ND2 ASN A 31 12.216 -22.987 6.140 1.00 61.41 N ATOM 0 H ASN A 31 10.522 -24.932 7.199 1.00 12.14 H new ATOM 0 HA ASN A 31 10.706 -26.499 4.698 1.00 22.11 H new ATOM 0 HB2 ASN A 31 13.180 -25.778 4.759 1.00 5.32 H new ATOM 0 HB3 ASN A 31 12.014 -24.601 4.187 1.00 5.32 H new ATOM 0 HD21 ASN A 31 12.488 -22.288 6.832 1.00 61.41 H new ATOM 0 HD22 ASN A 31 11.490 -22.772 5.456 1.00 61.41 H new ATOM 428 N LEU A 32 12.722 -27.902 5.908 1.00 30.40 N ATOM 429 CA LEU A 32 13.338 -29.000 6.646 1.00 42.15 C ATOM 430 C LEU A 32 14.496 -29.604 5.857 1.00 52.31 C ATOM 431 O LEU A 32 14.924 -29.052 4.844 1.00 72.41 O ATOM 432 CB LEU A 32 12.299 -30.079 6.955 1.00 23.12 C ATOM 433 CG LEU A 32 12.344 -30.669 8.365 1.00 22.21 C ATOM 434 CD1 LEU A 32 11.549 -29.805 9.331 1.00 14.00 C ATOM 435 CD2 LEU A 32 11.815 -32.096 8.363 1.00 1.03 C ATOM 0 H LEU A 32 13.097 -27.762 4.970 1.00 30.40 H new ATOM 0 HA LEU A 32 13.729 -28.602 7.582 1.00 42.15 H new ATOM 0 HB2 LEU A 32 11.307 -29.658 6.790 1.00 23.12 H new ATOM 0 HB3 LEU A 32 12.424 -30.891 6.239 1.00 23.12 H new ATOM 0 HG LEU A 32 13.382 -30.688 8.697 1.00 22.21 H new ATOM 0 HD11 LEU A 32 11.593 -30.241 10.329 1.00 14.00 H new ATOM 0 HD12 LEU A 32 11.973 -28.801 9.354 1.00 14.00 H new ATOM 0 HD13 LEU A 32 10.511 -29.753 9.003 1.00 14.00 H new ATOM 0 HD21 LEU A 32 11.854 -32.500 9.375 1.00 1.03 H new ATOM 0 HD22 LEU A 32 10.784 -32.101 8.010 1.00 1.03 H new ATOM 0 HD23 LEU A 32 12.427 -32.710 7.703 1.00 1.03 H new ATOM 447 N ASN A 33 14.997 -30.741 6.328 1.00 34.02 N ATOM 448 CA ASN A 33 16.104 -31.421 5.666 1.00 31.10 C ATOM 449 C ASN A 33 15.651 -32.041 4.348 1.00 60.33 C ATOM 450 O ASN A 33 16.443 -32.195 3.418 1.00 61.31 O ATOM 451 CB ASN A 33 16.684 -32.503 6.579 1.00 63.12 C ATOM 452 CG ASN A 33 15.904 -33.801 6.505 1.00 61.41 C ATOM 453 OD1 ASN A 33 16.279 -34.724 5.781 1.00 44.32 O ATOM 454 ND2 ASN A 33 14.812 -33.879 7.256 1.00 13.40 N ATOM 0 H ASN A 33 14.654 -31.211 7.166 1.00 34.02 H new ATOM 0 HA ASN A 33 16.877 -30.682 5.453 1.00 31.10 H new ATOM 0 HB2 ASN A 33 17.722 -32.690 6.303 1.00 63.12 H new ATOM 0 HB3 ASN A 33 16.688 -32.143 7.608 1.00 63.12 H new ATOM 0 HD21 ASN A 33 14.247 -34.728 7.248 1.00 13.40 H new ATOM 0 HD22 ASN A 33 14.538 -33.090 7.841 1.00 13.40 H new ATOM 461 N ASP A 34 14.373 -32.394 4.275 1.00 75.41 N ATOM 462 CA ASP A 34 13.813 -32.996 3.070 1.00 31.32 C ATOM 463 C ASP A 34 13.097 -31.950 2.222 1.00 44.31 C ATOM 464 O ASP A 34 12.037 -32.213 1.655 1.00 72.52 O ATOM 465 CB ASP A 34 12.844 -34.121 3.439 1.00 63.11 C ATOM 466 CG ASP A 34 12.959 -35.312 2.508 1.00 23.44 C ATOM 467 OD1 ASP A 34 13.223 -35.103 1.306 1.00 63.03 O ATOM 468 OD2 ASP A 34 12.786 -36.454 2.983 1.00 22.21 O ATOM 0 H ASP A 34 13.705 -32.274 5.036 1.00 75.41 H new ATOM 0 HA ASP A 34 14.634 -33.411 2.486 1.00 31.32 H new ATOM 0 HB2 ASP A 34 13.038 -34.443 4.462 1.00 63.11 H new ATOM 0 HB3 ASP A 34 11.823 -33.740 3.413 1.00 63.11 H new ATOM 473 N LYS A 35 13.684 -30.760 2.140 1.00 71.21 N ATOM 474 CA LYS A 35 13.104 -29.673 1.361 1.00 13.41 C ATOM 475 C LYS A 35 13.888 -29.448 0.072 1.00 11.23 C ATOM 476 O LYS A 35 15.118 -29.401 0.084 1.00 64.13 O ATOM 477 CB LYS A 35 13.078 -28.384 2.186 1.00 22.14 C ATOM 478 CG LYS A 35 14.437 -27.718 2.316 1.00 21.15 C ATOM 479 CD LYS A 35 14.655 -26.679 1.230 1.00 40.24 C ATOM 480 CE LYS A 35 16.101 -26.662 0.757 1.00 54.42 C ATOM 481 NZ LYS A 35 16.221 -26.163 -0.641 1.00 50.22 N ATOM 0 H LYS A 35 14.561 -30.525 2.604 1.00 71.21 H new ATOM 0 HA LYS A 35 12.083 -29.951 1.100 1.00 13.41 H new ATOM 0 HB2 LYS A 35 12.381 -27.683 1.727 1.00 22.14 H new ATOM 0 HB3 LYS A 35 12.695 -28.607 3.182 1.00 22.14 H new ATOM 0 HG2 LYS A 35 14.519 -27.245 3.295 1.00 21.15 H new ATOM 0 HG3 LYS A 35 15.220 -28.474 2.260 1.00 21.15 H new ATOM 0 HD2 LYS A 35 13.998 -26.889 0.386 1.00 40.24 H new ATOM 0 HD3 LYS A 35 14.383 -25.693 1.608 1.00 40.24 H new ATOM 0 HE2 LYS A 35 16.693 -26.031 1.420 1.00 54.42 H new ATOM 0 HE3 LYS A 35 16.516 -27.668 0.821 1.00 54.42 H new ATOM 0 HZ1 LYS A 35 17.000 -26.658 -1.121 1.00 50.22 H new ATOM 0 HZ2 LYS A 35 15.332 -26.340 -1.150 1.00 50.22 H new ATOM 0 HZ3 LYS A 35 16.416 -25.141 -0.629 1.00 50.22 H new ATOM 495 N ILE A 36 13.168 -29.308 -1.036 1.00 4.11 N ATOM 496 CA ILE A 36 13.798 -29.085 -2.332 1.00 34.33 C ATOM 497 C ILE A 36 12.848 -28.374 -3.289 1.00 53.12 C ATOM 498 O ILE A 36 11.707 -28.797 -3.477 1.00 11.24 O ATOM 499 CB ILE A 36 14.255 -30.410 -2.970 1.00 44.13 C ATOM 500 CG1 ILE A 36 13.165 -31.474 -2.827 1.00 42.10 C ATOM 501 CG2 ILE A 36 15.553 -30.884 -2.333 1.00 61.35 C ATOM 502 CD1 ILE A 36 13.251 -32.570 -3.866 1.00 34.33 C ATOM 0 H ILE A 36 12.149 -29.345 -1.063 1.00 4.11 H new ATOM 0 HA ILE A 36 14.670 -28.456 -2.156 1.00 34.33 H new ATOM 0 HB ILE A 36 14.434 -30.242 -4.032 1.00 44.13 H new ATOM 0 HG12 ILE A 36 13.231 -31.919 -1.834 1.00 42.10 H new ATOM 0 HG13 ILE A 36 12.189 -30.994 -2.897 1.00 42.10 H new ATOM 0 HG21 ILE A 36 15.863 -31.822 -2.794 1.00 61.35 H new ATOM 0 HG22 ILE A 36 16.328 -30.132 -2.483 1.00 61.35 H new ATOM 0 HG23 ILE A 36 15.399 -31.039 -1.265 1.00 61.35 H new ATOM 0 HD11 ILE A 36 12.448 -33.289 -3.704 1.00 34.33 H new ATOM 0 HD12 ILE A 36 13.154 -32.136 -4.861 1.00 34.33 H new ATOM 0 HD13 ILE A 36 14.213 -33.076 -3.783 1.00 34.33 H new ATOM 514 N SER A 37 13.327 -27.292 -3.894 1.00 52.24 N ATOM 515 CA SER A 37 12.520 -26.520 -4.832 1.00 13.21 C ATOM 516 C SER A 37 13.385 -25.533 -5.610 1.00 23.15 C ATOM 517 O SER A 37 14.614 -25.605 -5.573 1.00 74.11 O ATOM 518 CB SER A 37 11.414 -25.769 -4.088 1.00 32.04 C ATOM 519 OG SER A 37 11.953 -24.744 -3.272 1.00 4.42 O ATOM 0 H SER A 37 14.270 -26.930 -3.752 1.00 52.24 H new ATOM 0 HA SER A 37 12.066 -27.215 -5.539 1.00 13.21 H new ATOM 0 HB2 SER A 37 10.717 -25.337 -4.806 1.00 32.04 H new ATOM 0 HB3 SER A 37 10.847 -26.467 -3.473 1.00 32.04 H new ATOM 0 HG SER A 37 11.226 -24.278 -2.809 1.00 4.42 H new ATOM 525 N SER A 38 12.735 -24.612 -6.313 1.00 11.41 N ATOM 526 CA SER A 38 13.444 -23.612 -7.103 1.00 53.12 C ATOM 527 C SER A 38 13.009 -22.203 -6.713 1.00 54.40 C ATOM 528 O SER A 38 11.887 -21.994 -6.250 1.00 1.44 O ATOM 529 CB SER A 38 13.195 -23.840 -8.595 1.00 75.13 C ATOM 530 OG SER A 38 12.656 -25.130 -8.831 1.00 42.51 O ATOM 0 H SER A 38 11.718 -24.537 -6.352 1.00 11.41 H new ATOM 0 HA SER A 38 14.510 -23.714 -6.900 1.00 53.12 H new ATOM 0 HB2 SER A 38 12.509 -23.081 -8.973 1.00 75.13 H new ATOM 0 HB3 SER A 38 14.130 -23.727 -9.144 1.00 75.13 H new ATOM 0 HG SER A 38 11.962 -25.073 -9.520 1.00 42.51 H new ATOM 536 N ILE A 39 13.904 -21.240 -6.904 1.00 1.31 N ATOM 537 CA ILE A 39 13.613 -19.850 -6.573 1.00 62.23 C ATOM 538 C ILE A 39 13.739 -18.955 -7.801 1.00 62.03 C ATOM 539 O ILE A 39 14.719 -19.033 -8.543 1.00 31.31 O ATOM 540 CB ILE A 39 14.552 -19.325 -5.471 1.00 31.41 C ATOM 541 CG1 ILE A 39 13.877 -19.434 -4.102 1.00 1.31 C ATOM 542 CG2 ILE A 39 14.953 -17.886 -5.757 1.00 73.15 C ATOM 543 CD1 ILE A 39 13.382 -20.826 -3.781 1.00 33.50 C ATOM 0 H ILE A 39 14.837 -21.396 -7.286 1.00 1.31 H new ATOM 0 HA ILE A 39 12.586 -19.821 -6.208 1.00 62.23 H new ATOM 0 HB ILE A 39 15.454 -19.937 -5.461 1.00 31.41 H new ATOM 0 HG12 ILE A 39 14.583 -19.122 -3.332 1.00 1.31 H new ATOM 0 HG13 ILE A 39 13.037 -18.741 -4.064 1.00 1.31 H new ATOM 0 HG21 ILE A 39 15.617 -17.530 -4.969 1.00 73.15 H new ATOM 0 HG22 ILE A 39 15.469 -17.836 -6.716 1.00 73.15 H new ATOM 0 HG23 ILE A 39 14.061 -17.260 -5.791 1.00 73.15 H new ATOM 0 HD11 ILE A 39 12.915 -20.828 -2.796 1.00 33.50 H new ATOM 0 HD12 ILE A 39 12.652 -21.134 -4.529 1.00 33.50 H new ATOM 0 HD13 ILE A 39 14.222 -21.521 -3.786 1.00 33.50 H new ATOM 555 N LYS A 40 12.742 -18.102 -8.010 1.00 33.40 N ATOM 556 CA LYS A 40 12.741 -17.189 -9.146 1.00 54.41 C ATOM 557 C LYS A 40 12.434 -15.763 -8.698 1.00 24.24 C ATOM 558 O LYS A 40 11.486 -15.527 -7.949 1.00 73.43 O ATOM 559 CB LYS A 40 11.714 -17.638 -10.188 1.00 33.42 C ATOM 560 CG LYS A 40 12.138 -17.360 -11.620 1.00 32.45 C ATOM 561 CD LYS A 40 10.948 -16.999 -12.493 1.00 62.43 C ATOM 562 CE LYS A 40 11.301 -17.067 -13.971 1.00 45.52 C ATOM 563 NZ LYS A 40 10.686 -15.950 -14.740 1.00 12.40 N ATOM 0 H LYS A 40 11.923 -18.024 -7.406 1.00 33.40 H new ATOM 0 HA LYS A 40 13.735 -17.206 -9.593 1.00 54.41 H new ATOM 0 HB2 LYS A 40 11.535 -18.707 -10.072 1.00 33.42 H new ATOM 0 HB3 LYS A 40 10.768 -17.133 -9.994 1.00 33.42 H new ATOM 0 HG2 LYS A 40 12.862 -16.545 -11.635 1.00 32.45 H new ATOM 0 HG3 LYS A 40 12.638 -18.238 -12.029 1.00 32.45 H new ATOM 0 HD2 LYS A 40 10.122 -17.679 -12.283 1.00 62.43 H new ATOM 0 HD3 LYS A 40 10.605 -15.994 -12.245 1.00 62.43 H new ATOM 0 HE2 LYS A 40 12.384 -17.035 -14.087 1.00 45.52 H new ATOM 0 HE3 LYS A 40 10.964 -18.019 -14.381 1.00 45.52 H new ATOM 0 HZ1 LYS A 40 10.950 -16.032 -15.743 1.00 12.40 H new ATOM 0 HZ2 LYS A 40 9.651 -15.995 -14.650 1.00 12.40 H new ATOM 0 HZ3 LYS A 40 11.027 -15.042 -14.365 1.00 12.40 H new ATOM 577 N VAL A 41 13.243 -14.815 -9.161 1.00 20.21 N ATOM 578 CA VAL A 41 13.057 -13.413 -8.809 1.00 53.54 C ATOM 579 C VAL A 41 13.221 -12.514 -10.030 1.00 13.32 C ATOM 580 O VAL A 41 14.107 -12.727 -10.858 1.00 34.22 O ATOM 581 CB VAL A 41 14.053 -12.969 -7.722 1.00 30.45 C ATOM 582 CG1 VAL A 41 15.480 -13.281 -8.145 1.00 62.23 C ATOM 583 CG2 VAL A 41 13.889 -11.487 -7.421 1.00 71.14 C ATOM 0 H VAL A 41 14.033 -14.993 -9.781 1.00 20.21 H new ATOM 0 HA VAL A 41 12.042 -13.316 -8.422 1.00 53.54 H new ATOM 0 HB VAL A 41 13.840 -13.527 -6.810 1.00 30.45 H new ATOM 0 HG11 VAL A 41 16.169 -12.960 -7.364 1.00 62.23 H new ATOM 0 HG12 VAL A 41 15.586 -14.354 -8.304 1.00 62.23 H new ATOM 0 HG13 VAL A 41 15.709 -12.753 -9.071 1.00 62.23 H new ATOM 0 HG21 VAL A 41 14.601 -11.191 -6.651 1.00 71.14 H new ATOM 0 HG22 VAL A 41 14.073 -10.909 -8.327 1.00 71.14 H new ATOM 0 HG23 VAL A 41 12.875 -11.297 -7.070 1.00 71.14 H new ATOM 593 N LYS A 42 12.361 -11.506 -10.135 1.00 71.25 N ATOM 594 CA LYS A 42 12.410 -10.572 -11.254 1.00 1.12 C ATOM 595 C LYS A 42 12.060 -9.159 -10.798 1.00 41.10 C ATOM 596 O LYS A 42 11.273 -8.466 -11.443 1.00 1.35 O ATOM 597 CB LYS A 42 11.449 -11.016 -12.359 1.00 15.35 C ATOM 598 CG LYS A 42 11.991 -12.143 -13.220 1.00 51.45 C ATOM 599 CD LYS A 42 12.863 -11.613 -14.347 1.00 32.13 C ATOM 600 CE LYS A 42 14.327 -11.961 -14.129 1.00 23.15 C ATOM 601 NZ LYS A 42 14.572 -13.426 -14.239 1.00 14.02 N ATOM 0 H LYS A 42 11.622 -11.315 -9.459 1.00 71.25 H new ATOM 0 HA LYS A 42 13.427 -10.567 -11.647 1.00 1.12 H new ATOM 0 HB2 LYS A 42 10.510 -11.335 -11.906 1.00 15.35 H new ATOM 0 HB3 LYS A 42 11.221 -10.161 -12.996 1.00 15.35 H new ATOM 0 HG2 LYS A 42 12.571 -12.828 -12.602 1.00 51.45 H new ATOM 0 HG3 LYS A 42 11.162 -12.714 -13.638 1.00 51.45 H new ATOM 0 HD2 LYS A 42 12.526 -12.030 -15.296 1.00 32.13 H new ATOM 0 HD3 LYS A 42 12.752 -10.531 -14.417 1.00 32.13 H new ATOM 0 HE2 LYS A 42 14.938 -11.435 -14.862 1.00 23.15 H new ATOM 0 HE3 LYS A 42 14.640 -11.613 -13.144 1.00 23.15 H new ATOM 0 HZ1 LYS A 42 15.578 -13.596 -14.440 1.00 14.02 H new ATOM 0 HZ2 LYS A 42 14.315 -13.889 -13.344 1.00 14.02 H new ATOM 0 HZ3 LYS A 42 13.994 -13.818 -15.010 1.00 14.02 H new ATOM 615 N SER A 43 12.651 -8.738 -9.684 1.00 52.22 N ATOM 616 CA SER A 43 12.399 -7.408 -9.141 1.00 44.04 C ATOM 617 C SER A 43 13.211 -7.178 -7.871 1.00 4.55 C ATOM 618 O SER A 43 13.124 -7.949 -6.916 1.00 12.31 O ATOM 619 CB SER A 43 10.909 -7.227 -8.847 1.00 71.55 C ATOM 620 OG SER A 43 10.289 -6.421 -9.834 1.00 14.12 O ATOM 0 H SER A 43 13.307 -9.298 -9.140 1.00 52.22 H new ATOM 0 HA SER A 43 12.706 -6.674 -9.886 1.00 44.04 H new ATOM 0 HB2 SER A 43 10.421 -8.201 -8.810 1.00 71.55 H new ATOM 0 HB3 SER A 43 10.782 -6.769 -7.866 1.00 71.55 H new ATOM 0 HG SER A 43 10.423 -6.824 -10.717 1.00 14.12 H new ATOM 626 N GLY A 44 14.003 -6.109 -7.867 1.00 31.01 N ATOM 627 CA GLY A 44 14.820 -5.795 -6.709 1.00 52.03 C ATOM 628 C GLY A 44 15.660 -6.972 -6.256 1.00 61.30 C ATOM 629 O GLY A 44 16.054 -7.813 -7.065 1.00 52.15 O ATOM 0 H GLY A 44 14.093 -5.455 -8.645 1.00 31.01 H new ATOM 0 HA2 GLY A 44 15.474 -4.956 -6.946 1.00 52.03 H new ATOM 0 HA3 GLY A 44 14.176 -5.475 -5.890 1.00 52.03 H new ATOM 633 N THR A 45 15.938 -7.034 -4.957 1.00 43.04 N ATOM 634 CA THR A 45 16.740 -8.115 -4.398 1.00 33.11 C ATOM 635 C THR A 45 16.297 -8.449 -2.978 1.00 24.21 C ATOM 636 O THR A 45 15.907 -7.565 -2.215 1.00 70.33 O ATOM 637 CB THR A 45 18.237 -7.756 -4.386 1.00 5.22 C ATOM 638 OG1 THR A 45 18.485 -6.718 -3.431 1.00 14.13 O ATOM 639 CG2 THR A 45 18.697 -7.304 -5.764 1.00 13.42 C ATOM 0 H THR A 45 15.619 -6.348 -4.273 1.00 43.04 H new ATOM 0 HA THR A 45 16.589 -8.985 -5.037 1.00 33.11 H new ATOM 0 HB THR A 45 18.799 -8.648 -4.107 1.00 5.22 H new ATOM 0 HG1 THR A 45 19.440 -6.497 -3.429 1.00 14.13 H new ATOM 0 HG21 THR A 45 19.758 -7.056 -5.730 1.00 13.42 H new ATOM 0 HG22 THR A 45 18.535 -8.107 -6.483 1.00 13.42 H new ATOM 0 HG23 THR A 45 18.128 -6.425 -6.067 1.00 13.42 H new ATOM 647 N TRP A 46 16.362 -9.729 -2.629 1.00 73.13 N ATOM 648 CA TRP A 46 15.968 -10.179 -1.299 1.00 71.40 C ATOM 649 C TRP A 46 17.160 -10.758 -0.545 1.00 60.53 C ATOM 650 O TRP A 46 18.243 -10.920 -1.108 1.00 51.13 O ATOM 651 CB TRP A 46 14.856 -11.225 -1.400 1.00 41.14 C ATOM 652 CG TRP A 46 13.853 -10.923 -2.472 1.00 54.10 C ATOM 653 CD1 TRP A 46 13.333 -9.700 -2.787 1.00 43.33 C ATOM 654 CD2 TRP A 46 13.247 -11.861 -3.368 1.00 34.24 C ATOM 655 NE1 TRP A 46 12.441 -9.821 -3.825 1.00 72.30 N ATOM 656 CE2 TRP A 46 12.370 -11.137 -4.200 1.00 5.05 C ATOM 657 CE3 TRP A 46 13.360 -13.242 -3.549 1.00 62.12 C ATOM 658 CZ2 TRP A 46 11.613 -11.749 -5.195 1.00 24.11 C ATOM 659 CZ3 TRP A 46 12.608 -13.848 -4.537 1.00 71.13 C ATOM 660 CH2 TRP A 46 11.744 -13.102 -5.350 1.00 62.34 C ATOM 0 H TRP A 46 16.684 -10.473 -3.248 1.00 73.13 H new ATOM 0 HA TRP A 46 15.596 -9.316 -0.746 1.00 71.40 H new ATOM 0 HB2 TRP A 46 15.301 -12.201 -1.593 1.00 41.14 H new ATOM 0 HB3 TRP A 46 14.343 -11.293 -0.441 1.00 41.14 H new ATOM 0 HD1 TRP A 46 13.586 -8.774 -2.293 1.00 43.33 H new ATOM 0 HE1 TRP A 46 11.917 -9.055 -4.248 1.00 72.30 H new ATOM 0 HE3 TRP A 46 14.023 -13.825 -2.928 1.00 62.12 H new ATOM 0 HZ2 TRP A 46 10.946 -11.176 -5.822 1.00 24.11 H new ATOM 0 HZ3 TRP A 46 12.687 -14.915 -4.685 1.00 71.13 H new ATOM 0 HH2 TRP A 46 11.170 -13.605 -6.114 1.00 62.34 H new ATOM 671 N ARG A 47 16.954 -11.070 0.730 1.00 11.52 N ATOM 672 CA ARG A 47 18.013 -11.630 1.561 1.00 71.03 C ATOM 673 C ARG A 47 17.627 -13.015 2.072 1.00 65.11 C ATOM 674 O ARG A 47 16.618 -13.176 2.758 1.00 71.41 O ATOM 675 CB ARG A 47 18.309 -10.703 2.741 1.00 20.22 C ATOM 676 CG ARG A 47 18.890 -9.360 2.330 1.00 24.33 C ATOM 677 CD ARG A 47 17.845 -8.257 2.395 1.00 63.50 C ATOM 678 NE ARG A 47 18.161 -7.264 3.418 1.00 52.23 N ATOM 679 CZ ARG A 47 17.263 -6.433 3.937 1.00 24.51 C ATOM 680 NH1 ARG A 47 16.002 -6.478 3.532 1.00 53.30 N ATOM 681 NH2 ARG A 47 17.627 -5.557 4.864 1.00 4.23 N ATOM 0 H ARG A 47 16.063 -10.944 1.210 1.00 11.52 H new ATOM 0 HA ARG A 47 18.910 -11.724 0.949 1.00 71.03 H new ATOM 0 HB2 ARG A 47 17.388 -10.535 3.300 1.00 20.22 H new ATOM 0 HB3 ARG A 47 19.006 -11.199 3.416 1.00 20.22 H new ATOM 0 HG2 ARG A 47 19.726 -9.109 2.983 1.00 24.33 H new ATOM 0 HG3 ARG A 47 19.286 -9.428 1.317 1.00 24.33 H new ATOM 0 HD2 ARG A 47 17.774 -7.767 1.424 1.00 63.50 H new ATOM 0 HD3 ARG A 47 16.869 -8.694 2.604 1.00 63.50 H new ATOM 0 HE ARG A 47 19.123 -7.205 3.752 1.00 52.23 H new ATOM 0 HH11 ARG A 47 15.719 -7.152 2.820 1.00 53.30 H new ATOM 0 HH12 ARG A 47 15.315 -5.839 3.932 1.00 53.30 H new ATOM 0 HH21 ARG A 47 18.597 -5.521 5.179 1.00 4.23 H new ATOM 0 HH22 ARG A 47 16.937 -4.919 5.262 1.00 4.23 H new ATOM 695 N PHE A 48 18.438 -14.012 1.733 1.00 60.04 N ATOM 696 CA PHE A 48 18.181 -15.384 2.156 1.00 43.23 C ATOM 697 C PHE A 48 19.202 -15.831 3.198 1.00 34.34 C ATOM 698 O PHE A 48 20.410 -15.753 2.974 1.00 13.13 O ATOM 699 CB PHE A 48 18.219 -16.327 0.951 1.00 12.14 C ATOM 700 CG PHE A 48 16.860 -16.639 0.392 1.00 44.44 C ATOM 701 CD1 PHE A 48 16.083 -17.644 0.944 1.00 51.20 C ATOM 702 CD2 PHE A 48 16.361 -15.926 -0.687 1.00 34.25 C ATOM 703 CE1 PHE A 48 14.833 -17.933 0.430 1.00 30.12 C ATOM 704 CE2 PHE A 48 15.111 -16.211 -1.204 1.00 40.34 C ATOM 705 CZ PHE A 48 14.346 -17.215 -0.644 1.00 51.15 C ATOM 0 H PHE A 48 19.278 -13.896 1.167 1.00 60.04 H new ATOM 0 HA PHE A 48 17.189 -15.420 2.606 1.00 43.23 H new ATOM 0 HB2 PHE A 48 18.831 -15.879 0.168 1.00 12.14 H new ATOM 0 HB3 PHE A 48 18.706 -17.258 1.243 1.00 12.14 H new ATOM 0 HD1 PHE A 48 16.458 -18.208 1.785 1.00 51.20 H new ATOM 0 HD2 PHE A 48 16.955 -15.139 -1.128 1.00 34.25 H new ATOM 0 HE1 PHE A 48 14.237 -18.720 0.868 1.00 30.12 H new ATOM 0 HE2 PHE A 48 14.733 -15.649 -2.045 1.00 40.34 H new ATOM 0 HZ PHE A 48 13.369 -17.438 -1.045 1.00 51.15 H new ATOM 715 N TYR A 49 18.706 -16.300 4.338 1.00 5.25 N ATOM 716 CA TYR A 49 19.574 -16.757 5.418 1.00 72.24 C ATOM 717 C TYR A 49 19.014 -18.018 6.069 1.00 62.31 C ATOM 718 O TYR A 49 17.801 -18.173 6.205 1.00 2.14 O ATOM 719 CB TYR A 49 19.739 -15.658 6.468 1.00 1.30 C ATOM 720 CG TYR A 49 18.622 -14.639 6.460 1.00 74.24 C ATOM 721 CD1 TYR A 49 17.464 -14.843 7.201 1.00 4.44 C ATOM 722 CD2 TYR A 49 18.722 -13.474 5.709 1.00 23.23 C ATOM 723 CE1 TYR A 49 16.440 -13.915 7.196 1.00 24.23 C ATOM 724 CE2 TYR A 49 17.704 -12.541 5.699 1.00 1.34 C ATOM 725 CZ TYR A 49 16.565 -12.766 6.444 1.00 2.22 C ATOM 726 OH TYR A 49 15.548 -11.839 6.436 1.00 60.02 O ATOM 0 H TYR A 49 17.709 -16.374 4.538 1.00 5.25 H new ATOM 0 HA TYR A 49 20.549 -16.992 4.992 1.00 72.24 H new ATOM 0 HB2 TYR A 49 19.794 -16.116 7.455 1.00 1.30 H new ATOM 0 HB3 TYR A 49 20.687 -15.147 6.300 1.00 1.30 H new ATOM 0 HD1 TYR A 49 17.363 -15.742 7.791 1.00 4.44 H new ATOM 0 HD2 TYR A 49 19.611 -13.295 5.123 1.00 23.23 H new ATOM 0 HE1 TYR A 49 15.547 -14.089 7.778 1.00 24.23 H new ATOM 0 HE2 TYR A 49 17.799 -11.640 5.111 1.00 1.34 H new ATOM 0 HH TYR A 49 15.396 -11.512 7.347 1.00 60.02 H new ATOM 736 N GLU A 50 19.909 -18.916 6.469 1.00 32.45 N ATOM 737 CA GLU A 50 19.505 -20.164 7.106 1.00 32.44 C ATOM 738 C GLU A 50 19.835 -20.147 8.596 1.00 1.41 C ATOM 739 O GLU A 50 20.912 -20.576 9.009 1.00 23.54 O ATOM 740 CB GLU A 50 20.195 -21.353 6.434 1.00 41.21 C ATOM 741 CG GLU A 50 21.660 -21.106 6.117 1.00 45.11 C ATOM 742 CD GLU A 50 22.485 -22.378 6.142 1.00 22.20 C ATOM 743 OE1 GLU A 50 22.373 -23.139 7.125 1.00 30.35 O ATOM 744 OE2 GLU A 50 23.243 -22.612 5.177 1.00 31.42 O ATOM 0 H GLU A 50 20.917 -18.803 6.363 1.00 32.45 H new ATOM 0 HA GLU A 50 18.426 -20.267 6.991 1.00 32.44 H new ATOM 0 HB2 GLU A 50 20.114 -22.224 7.084 1.00 41.21 H new ATOM 0 HB3 GLU A 50 19.668 -21.594 5.511 1.00 41.21 H new ATOM 0 HG2 GLU A 50 21.742 -20.644 5.133 1.00 45.11 H new ATOM 0 HG3 GLU A 50 22.069 -20.398 6.837 1.00 45.11 H new ATOM 751 N TYR A 51 18.901 -19.646 9.397 1.00 21.00 N ATOM 752 CA TYR A 51 19.093 -19.569 10.840 1.00 1.13 C ATOM 753 C TYR A 51 17.968 -18.776 11.498 1.00 50.40 C ATOM 754 O TYR A 51 16.940 -18.503 10.876 1.00 5.05 O ATOM 755 CB TYR A 51 20.442 -18.925 11.163 1.00 44.43 C ATOM 756 CG TYR A 51 21.402 -19.852 11.874 1.00 14.12 C ATOM 757 CD1 TYR A 51 21.095 -20.374 13.125 1.00 65.34 C ATOM 758 CD2 TYR A 51 22.614 -20.206 11.295 1.00 20.31 C ATOM 759 CE1 TYR A 51 21.969 -21.221 13.778 1.00 23.23 C ATOM 760 CE2 TYR A 51 23.493 -21.054 11.941 1.00 44.21 C ATOM 761 CZ TYR A 51 23.167 -21.558 13.182 1.00 32.14 C ATOM 762 OH TYR A 51 24.039 -22.403 13.830 1.00 43.42 O ATOM 0 H TYR A 51 18.003 -19.287 9.071 1.00 21.00 H new ATOM 0 HA TYR A 51 19.078 -20.584 11.237 1.00 1.13 H new ATOM 0 HB2 TYR A 51 20.902 -18.581 10.237 1.00 44.43 H new ATOM 0 HB3 TYR A 51 20.275 -18.044 11.783 1.00 44.43 H new ATOM 0 HD1 TYR A 51 20.158 -20.113 13.594 1.00 65.34 H new ATOM 0 HD2 TYR A 51 22.874 -19.812 10.324 1.00 20.31 H new ATOM 0 HE1 TYR A 51 21.716 -21.618 14.750 1.00 23.23 H new ATOM 0 HE2 TYR A 51 24.431 -21.321 11.476 1.00 44.21 H new ATOM 0 HH TYR A 51 24.835 -22.540 13.275 1.00 43.42 H new ATOM 772 N ILE A 52 18.171 -18.408 12.759 1.00 73.04 N ATOM 773 CA ILE A 52 17.175 -17.645 13.501 1.00 42.43 C ATOM 774 C ILE A 52 17.217 -16.169 13.118 1.00 35.11 C ATOM 775 O ILE A 52 18.115 -15.728 12.403 1.00 72.04 O ATOM 776 CB ILE A 52 17.384 -17.775 15.021 1.00 21.20 C ATOM 777 CG1 ILE A 52 17.920 -19.166 15.367 1.00 61.15 C ATOM 778 CG2 ILE A 52 16.082 -17.505 15.760 1.00 51.13 C ATOM 779 CD1 ILE A 52 17.065 -20.293 14.832 1.00 35.32 C ATOM 0 H ILE A 52 19.016 -18.626 13.288 1.00 73.04 H new ATOM 0 HA ILE A 52 16.201 -18.059 13.240 1.00 42.43 H new ATOM 0 HB ILE A 52 18.119 -17.034 15.336 1.00 21.20 H new ATOM 0 HG12 ILE A 52 18.930 -19.267 14.969 1.00 61.15 H new ATOM 0 HG13 ILE A 52 17.993 -19.259 16.451 1.00 61.15 H new ATOM 0 HG21 ILE A 52 16.246 -17.601 16.833 1.00 51.13 H new ATOM 0 HG22 ILE A 52 15.738 -16.496 15.534 1.00 51.13 H new ATOM 0 HG23 ILE A 52 15.328 -18.225 15.443 1.00 51.13 H new ATOM 0 HD11 ILE A 52 17.505 -21.249 15.115 1.00 35.32 H new ATOM 0 HD12 ILE A 52 16.061 -20.218 15.249 1.00 35.32 H new ATOM 0 HD13 ILE A 52 17.012 -20.225 13.745 1.00 35.32 H new ATOM 791 N ASN A 53 16.238 -15.410 13.602 1.00 63.42 N ATOM 792 CA ASN A 53 16.163 -13.983 13.312 1.00 64.14 C ATOM 793 C ASN A 53 17.207 -13.210 14.112 1.00 12.32 C ATOM 794 O ASN A 53 16.872 -12.304 14.877 1.00 62.43 O ATOM 795 CB ASN A 53 14.764 -13.450 13.627 1.00 23.10 C ATOM 796 CG ASN A 53 14.390 -12.262 12.762 1.00 12.02 C ATOM 797 OD1 ASN A 53 15.141 -11.291 12.662 1.00 34.54 O ATOM 798 ND2 ASN A 53 13.223 -12.334 12.132 1.00 0.41 N ATOM 0 H ASN A 53 15.486 -15.760 14.196 1.00 63.42 H new ATOM 0 HA ASN A 53 16.367 -13.842 12.251 1.00 64.14 H new ATOM 0 HB2 ASN A 53 14.034 -14.246 13.482 1.00 23.10 H new ATOM 0 HB3 ASN A 53 14.716 -13.161 14.677 1.00 23.10 H new ATOM 0 HD21 ASN A 53 12.917 -11.565 11.536 1.00 0.41 H new ATOM 0 HD22 ASN A 53 12.633 -13.158 12.244 1.00 0.41 H new ATOM 805 N TYR A 54 18.472 -13.572 13.931 1.00 73.34 N ATOM 806 CA TYR A 54 19.564 -12.914 14.637 1.00 64.21 C ATOM 807 C TYR A 54 20.849 -12.957 13.814 1.00 14.34 C ATOM 808 O TYR A 54 21.647 -12.021 13.840 1.00 24.44 O ATOM 809 CB TYR A 54 19.794 -13.577 15.996 1.00 72.50 C ATOM 810 CG TYR A 54 20.935 -14.569 16.001 1.00 63.02 C ATOM 811 CD1 TYR A 54 20.773 -15.847 15.479 1.00 5.22 C ATOM 812 CD2 TYR A 54 22.175 -14.229 16.528 1.00 40.13 C ATOM 813 CE1 TYR A 54 21.813 -16.756 15.482 1.00 23.41 C ATOM 814 CE2 TYR A 54 23.221 -15.131 16.533 1.00 33.44 C ATOM 815 CZ TYR A 54 23.035 -16.394 16.010 1.00 50.12 C ATOM 816 OH TYR A 54 24.074 -17.296 16.015 1.00 72.31 O ATOM 0 H TYR A 54 18.766 -14.318 13.301 1.00 73.34 H new ATOM 0 HA TYR A 54 19.287 -11.871 14.791 1.00 64.21 H new ATOM 0 HB2 TYR A 54 19.992 -12.804 16.739 1.00 72.50 H new ATOM 0 HB3 TYR A 54 18.880 -14.086 16.302 1.00 72.50 H new ATOM 0 HD1 TYR A 54 19.818 -16.134 15.064 1.00 5.22 H new ATOM 0 HD2 TYR A 54 22.323 -13.242 16.941 1.00 40.13 H new ATOM 0 HE1 TYR A 54 21.670 -17.745 15.073 1.00 23.41 H new ATOM 0 HE2 TYR A 54 24.179 -14.849 16.944 1.00 33.44 H new ATOM 0 HH TYR A 54 24.864 -16.882 16.421 1.00 72.31 H new ATOM 826 N GLY A 55 21.040 -14.051 13.083 1.00 14.22 N ATOM 827 CA GLY A 55 22.227 -14.196 12.262 1.00 24.42 C ATOM 828 C GLY A 55 22.042 -15.208 11.149 1.00 50.25 C ATOM 829 O GLY A 55 20.971 -15.292 10.549 1.00 41.02 O ATOM 0 H GLY A 55 20.394 -14.839 13.045 1.00 14.22 H new ATOM 0 HA2 GLY A 55 22.487 -13.229 11.830 1.00 24.42 H new ATOM 0 HA3 GLY A 55 23.064 -14.500 12.890 1.00 24.42 H new ATOM 833 N GLY A 56 23.090 -15.978 10.870 1.00 53.45 N ATOM 834 CA GLY A 56 23.017 -16.977 9.820 1.00 45.35 C ATOM 835 C GLY A 56 23.794 -16.574 8.582 1.00 52.15 C ATOM 836 O GLY A 56 24.399 -15.502 8.541 1.00 32.44 O ATOM 0 H GLY A 56 23.987 -15.928 11.352 1.00 53.45 H new ATOM 0 HA2 GLY A 56 23.404 -17.924 10.196 1.00 45.35 H new ATOM 0 HA3 GLY A 56 21.973 -17.143 9.552 1.00 45.35 H new ATOM 840 N ARG A 57 23.779 -17.435 7.569 1.00 14.12 N ATOM 841 CA ARG A 57 24.489 -17.164 6.325 1.00 21.23 C ATOM 842 C ARG A 57 23.751 -16.119 5.494 1.00 60.01 C ATOM 843 O ARG A 57 22.715 -16.407 4.894 1.00 42.23 O ATOM 844 CB ARG A 57 24.653 -18.452 5.516 1.00 22.11 C ATOM 845 CG ARG A 57 25.304 -18.240 4.159 1.00 31.00 C ATOM 846 CD ARG A 57 24.340 -18.550 3.024 1.00 11.35 C ATOM 847 NE ARG A 57 25.040 -18.849 1.778 1.00 53.00 N ATOM 848 CZ ARG A 57 25.705 -19.978 1.562 1.00 61.14 C ATOM 849 NH1 ARG A 57 25.761 -20.910 2.503 1.00 15.33 N ATOM 850 NH2 ARG A 57 26.316 -20.177 0.401 1.00 65.21 N ATOM 0 H ARG A 57 23.283 -18.326 7.586 1.00 14.12 H new ATOM 0 HA ARG A 57 25.475 -16.773 6.576 1.00 21.23 H new ATOM 0 HB2 ARG A 57 25.252 -19.158 6.091 1.00 22.11 H new ATOM 0 HB3 ARG A 57 23.673 -18.908 5.372 1.00 22.11 H new ATOM 0 HG2 ARG A 57 25.646 -17.208 4.076 1.00 31.00 H new ATOM 0 HG3 ARG A 57 26.185 -18.876 4.074 1.00 31.00 H new ATOM 0 HD2 ARG A 57 23.715 -19.399 3.301 1.00 11.35 H new ATOM 0 HD3 ARG A 57 23.675 -17.700 2.871 1.00 11.35 H new ATOM 0 HE ARG A 57 25.017 -18.153 1.033 1.00 53.00 H new ATOM 0 HH11 ARG A 57 25.292 -20.761 3.397 1.00 15.33 H new ATOM 0 HH12 ARG A 57 26.273 -21.776 2.333 1.00 15.33 H new ATOM 0 HH21 ARG A 57 26.275 -19.463 -0.326 1.00 65.21 H new ATOM 0 HH22 ARG A 57 26.827 -21.044 0.236 1.00 65.21 H new ATOM 864 N TYR A 58 24.291 -14.906 5.464 1.00 12.31 N ATOM 865 CA TYR A 58 23.682 -13.817 4.709 1.00 2.21 C ATOM 866 C TYR A 58 23.957 -13.969 3.216 1.00 2.32 C ATOM 867 O TYR A 58 25.076 -13.746 2.754 1.00 23.03 O ATOM 868 CB TYR A 58 24.211 -12.469 5.202 1.00 51.31 C ATOM 869 CG TYR A 58 23.883 -11.316 4.280 1.00 63.12 C ATOM 870 CD1 TYR A 58 22.639 -11.221 3.669 1.00 62.23 C ATOM 871 CD2 TYR A 58 24.818 -10.321 4.020 1.00 21.25 C ATOM 872 CE1 TYR A 58 22.336 -10.170 2.825 1.00 62.30 C ATOM 873 CE2 TYR A 58 24.523 -9.266 3.179 1.00 2.22 C ATOM 874 CZ TYR A 58 23.281 -9.195 2.584 1.00 62.15 C ATOM 875 OH TYR A 58 22.983 -8.146 1.745 1.00 54.22 O ATOM 0 H TYR A 58 25.149 -14.652 5.954 1.00 12.31 H new ATOM 0 HA TYR A 58 22.604 -13.857 4.867 1.00 2.21 H new ATOM 0 HB2 TYR A 58 23.795 -12.264 6.189 1.00 51.31 H new ATOM 0 HB3 TYR A 58 25.293 -12.533 5.319 1.00 51.31 H new ATOM 0 HD1 TYR A 58 21.896 -11.982 3.857 1.00 62.23 H new ATOM 0 HD2 TYR A 58 25.792 -10.374 4.484 1.00 21.25 H new ATOM 0 HE1 TYR A 58 21.365 -10.112 2.357 1.00 62.30 H new ATOM 0 HE2 TYR A 58 25.261 -8.501 2.988 1.00 2.22 H new ATOM 0 HH TYR A 58 23.030 -8.448 0.814 1.00 54.22 H new ATOM 885 N TRP A 59 22.928 -14.348 2.468 1.00 60.42 N ATOM 886 CA TRP A 59 23.057 -14.530 1.026 1.00 3.23 C ATOM 887 C TRP A 59 21.844 -13.965 0.296 1.00 61.04 C ATOM 888 O TRP A 59 20.759 -14.544 0.336 1.00 74.52 O ATOM 889 CB TRP A 59 23.225 -16.013 0.691 1.00 2.32 C ATOM 890 CG TRP A 59 22.720 -16.374 -0.673 1.00 23.41 C ATOM 891 CD1 TRP A 59 23.225 -15.956 -1.871 1.00 54.30 C ATOM 892 CD2 TRP A 59 21.611 -17.227 -0.978 1.00 1.31 C ATOM 893 NE1 TRP A 59 22.496 -16.496 -2.903 1.00 35.54 N ATOM 894 CE2 TRP A 59 21.501 -17.281 -2.381 1.00 53.42 C ATOM 895 CE3 TRP A 59 20.702 -17.951 -0.203 1.00 32.14 C ATOM 896 CZ2 TRP A 59 20.517 -18.029 -3.022 1.00 30.00 C ATOM 897 CZ3 TRP A 59 19.726 -18.693 -0.840 1.00 72.21 C ATOM 898 CH2 TRP A 59 19.640 -18.728 -2.238 1.00 71.42 C ATOM 0 H TRP A 59 21.995 -14.535 2.835 1.00 60.42 H new ATOM 0 HA TRP A 59 23.942 -13.988 0.694 1.00 3.23 H new ATOM 0 HB2 TRP A 59 24.280 -16.277 0.762 1.00 2.32 H new ATOM 0 HB3 TRP A 59 22.697 -16.609 1.436 1.00 2.32 H new ATOM 0 HD1 TRP A 59 24.073 -15.298 -1.990 1.00 54.30 H new ATOM 0 HE1 TRP A 59 22.667 -16.338 -3.896 1.00 35.54 H new ATOM 0 HE3 TRP A 59 20.761 -17.931 0.875 1.00 32.14 H new ATOM 0 HZ2 TRP A 59 20.448 -18.057 -4.099 1.00 30.00 H new ATOM 0 HZ3 TRP A 59 19.017 -19.256 -0.250 1.00 72.21 H new ATOM 0 HH2 TRP A 59 18.866 -19.318 -2.706 1.00 71.42 H new ATOM 909 N ASP A 60 22.035 -12.832 -0.371 1.00 61.12 N ATOM 910 CA ASP A 60 20.956 -12.190 -1.112 1.00 52.14 C ATOM 911 C ASP A 60 20.914 -12.689 -2.553 1.00 72.32 C ATOM 912 O ASP A 60 21.954 -12.905 -3.177 1.00 74.32 O ATOM 913 CB ASP A 60 21.128 -10.670 -1.091 1.00 34.30 C ATOM 914 CG ASP A 60 22.545 -10.243 -1.417 1.00 23.25 C ATOM 915 OD1 ASP A 60 23.399 -10.277 -0.506 1.00 33.23 O ATOM 916 OD2 ASP A 60 22.801 -9.874 -2.582 1.00 64.31 O ATOM 0 H ASP A 60 22.927 -12.339 -0.414 1.00 61.12 H new ATOM 0 HA ASP A 60 20.014 -12.448 -0.629 1.00 52.14 H new ATOM 0 HB2 ASP A 60 20.442 -10.220 -1.808 1.00 34.30 H new ATOM 0 HB3 ASP A 60 20.855 -10.290 -0.107 1.00 34.30 H new ATOM 921 N LEU A 61 19.706 -12.872 -3.076 1.00 2.24 N ATOM 922 CA LEU A 61 19.528 -13.347 -4.443 1.00 61.13 C ATOM 923 C LEU A 61 19.231 -12.187 -5.388 1.00 71.34 C ATOM 924 O LEU A 61 18.696 -11.159 -4.977 1.00 12.14 O ATOM 925 CB LEU A 61 18.395 -14.373 -4.504 1.00 51.22 C ATOM 926 CG LEU A 61 17.011 -13.824 -4.855 1.00 64.54 C ATOM 927 CD1 LEU A 61 16.020 -14.961 -5.050 1.00 62.41 C ATOM 928 CD2 LEU A 61 16.526 -12.870 -3.774 1.00 74.31 C ATOM 0 H LEU A 61 18.836 -12.698 -2.573 1.00 2.24 H new ATOM 0 HA LEU A 61 20.457 -13.821 -4.761 1.00 61.13 H new ATOM 0 HB2 LEU A 61 18.659 -15.133 -5.239 1.00 51.22 H new ATOM 0 HB3 LEU A 61 18.331 -14.872 -3.537 1.00 51.22 H new ATOM 0 HG LEU A 61 17.087 -13.271 -5.791 1.00 64.54 H new ATOM 0 HD11 LEU A 61 15.041 -14.552 -5.299 1.00 62.41 H new ATOM 0 HD12 LEU A 61 16.361 -15.606 -5.860 1.00 62.41 H new ATOM 0 HD13 LEU A 61 15.947 -15.542 -4.131 1.00 62.41 H new ATOM 0 HD21 LEU A 61 15.540 -12.489 -4.040 1.00 74.31 H new ATOM 0 HD22 LEU A 61 16.466 -13.398 -2.823 1.00 74.31 H new ATOM 0 HD23 LEU A 61 17.224 -12.038 -3.683 1.00 74.31 H new ATOM 940 N GLY A 62 19.580 -12.362 -6.660 1.00 2.25 N ATOM 941 CA GLY A 62 19.341 -11.323 -7.644 1.00 2.42 C ATOM 942 C GLY A 62 18.696 -11.858 -8.907 1.00 14.43 C ATOM 943 O GLY A 62 18.231 -12.997 -8.957 1.00 52.53 O ATOM 0 H GLY A 62 20.024 -13.205 -7.025 1.00 2.25 H new ATOM 0 HA2 GLY A 62 18.700 -10.556 -7.209 1.00 2.42 H new ATOM 0 HA3 GLY A 62 20.286 -10.843 -7.898 1.00 2.42 H new ATOM 947 N PRO A 63 18.659 -11.023 -9.956 1.00 64.55 N ATOM 948 CA PRO A 63 18.067 -11.397 -11.244 1.00 60.13 C ATOM 949 C PRO A 63 18.520 -12.776 -11.712 1.00 52.14 C ATOM 950 O PRO A 63 19.624 -12.935 -12.230 1.00 44.31 O ATOM 951 CB PRO A 63 18.579 -10.314 -12.197 1.00 74.15 C ATOM 952 CG PRO A 63 18.837 -9.134 -11.326 1.00 44.11 C ATOM 953 CD PRO A 63 19.194 -9.652 -9.967 1.00 44.43 C ATOM 0 HA PRO A 63 16.980 -11.458 -11.191 1.00 60.13 H new ATOM 0 HB2 PRO A 63 19.486 -10.634 -12.709 1.00 74.15 H new ATOM 0 HB3 PRO A 63 17.843 -10.084 -12.967 1.00 74.15 H new ATOM 0 HG2 PRO A 63 19.647 -8.528 -11.731 1.00 44.11 H new ATOM 0 HG3 PRO A 63 17.956 -8.495 -11.274 1.00 44.11 H new ATOM 0 HD2 PRO A 63 20.272 -9.643 -9.807 1.00 44.43 H new ATOM 0 HD3 PRO A 63 18.750 -9.044 -9.179 1.00 44.43 H new ATOM 961 N GLY A 64 17.658 -13.771 -11.527 1.00 70.41 N ATOM 962 CA GLY A 64 17.988 -15.124 -11.936 1.00 70.14 C ATOM 963 C GLY A 64 17.200 -16.170 -11.172 1.00 51.55 C ATOM 964 O GLY A 64 16.616 -15.876 -10.130 1.00 23.03 O ATOM 0 H GLY A 64 16.737 -13.664 -11.101 1.00 70.41 H new ATOM 0 HA2 GLY A 64 17.794 -15.235 -13.003 1.00 70.14 H new ATOM 0 HA3 GLY A 64 19.054 -15.296 -11.786 1.00 70.14 H new ATOM 968 N GLU A 65 17.182 -17.392 -11.694 1.00 34.44 N ATOM 969 CA GLU A 65 16.456 -18.484 -11.054 1.00 4.21 C ATOM 970 C GLU A 65 17.362 -19.696 -10.856 1.00 32.13 C ATOM 971 O GLU A 65 18.148 -20.048 -11.735 1.00 42.45 O ATOM 972 CB GLU A 65 15.237 -18.876 -11.891 1.00 42.53 C ATOM 973 CG GLU A 65 14.391 -19.968 -11.260 1.00 71.31 C ATOM 974 CD GLU A 65 13.655 -20.804 -12.289 1.00 54.33 C ATOM 975 OE1 GLU A 65 13.768 -20.497 -13.494 1.00 55.34 O ATOM 976 OE2 GLU A 65 12.965 -21.765 -11.889 1.00 23.21 O ATOM 0 H GLU A 65 17.661 -17.651 -12.557 1.00 34.44 H new ATOM 0 HA GLU A 65 16.120 -18.139 -10.076 1.00 4.21 H new ATOM 0 HB2 GLU A 65 14.617 -17.994 -12.050 1.00 42.53 H new ATOM 0 HB3 GLU A 65 15.573 -19.210 -12.873 1.00 42.53 H new ATOM 0 HG2 GLU A 65 15.030 -20.616 -10.660 1.00 71.31 H new ATOM 0 HG3 GLU A 65 13.668 -19.516 -10.581 1.00 71.31 H new ATOM 983 N TYR A 66 17.245 -20.330 -9.694 1.00 62.45 N ATOM 984 CA TYR A 66 18.055 -21.501 -9.379 1.00 35.45 C ATOM 985 C TYR A 66 17.205 -22.594 -8.737 1.00 73.12 C ATOM 986 O TYR A 66 16.198 -22.312 -8.088 1.00 32.14 O ATOM 987 CB TYR A 66 19.202 -21.117 -8.443 1.00 11.12 C ATOM 988 CG TYR A 66 18.835 -21.179 -6.977 1.00 71.34 C ATOM 989 CD1 TYR A 66 18.299 -20.074 -6.327 1.00 64.42 C ATOM 990 CD2 TYR A 66 19.023 -22.344 -6.243 1.00 51.11 C ATOM 991 CE1 TYR A 66 17.963 -20.127 -4.988 1.00 45.13 C ATOM 992 CE2 TYR A 66 18.689 -22.406 -4.904 1.00 55.11 C ATOM 993 CZ TYR A 66 18.160 -21.295 -4.281 1.00 53.22 C ATOM 994 OH TYR A 66 17.825 -21.351 -2.948 1.00 30.54 O ATOM 0 H TYR A 66 16.598 -20.053 -8.956 1.00 62.45 H new ATOM 0 HA TYR A 66 18.469 -21.887 -10.311 1.00 35.45 H new ATOM 0 HB2 TYR A 66 20.047 -21.781 -8.626 1.00 11.12 H new ATOM 0 HB3 TYR A 66 19.533 -20.107 -8.683 1.00 11.12 H new ATOM 0 HD1 TYR A 66 18.142 -19.158 -6.878 1.00 64.42 H new ATOM 0 HD2 TYR A 66 19.437 -23.216 -6.728 1.00 51.11 H new ATOM 0 HE1 TYR A 66 17.548 -19.259 -4.497 1.00 45.13 H new ATOM 0 HE2 TYR A 66 18.841 -23.319 -4.348 1.00 55.11 H new ATOM 0 HH TYR A 66 18.025 -22.244 -2.598 1.00 30.54 H new ATOM 1004 N SER A 67 17.619 -23.843 -8.924 1.00 71.24 N ATOM 1005 CA SER A 67 16.895 -24.980 -8.367 1.00 62.05 C ATOM 1006 C SER A 67 17.853 -25.955 -7.690 1.00 5.22 C ATOM 1007 O SER A 67 18.249 -26.962 -8.276 1.00 70.41 O ATOM 1008 CB SER A 67 16.110 -25.700 -9.466 1.00 2.51 C ATOM 1009 OG SER A 67 16.982 -26.259 -10.433 1.00 20.33 O ATOM 0 H SER A 67 18.452 -24.093 -9.457 1.00 71.24 H new ATOM 0 HA SER A 67 16.198 -24.604 -7.619 1.00 62.05 H new ATOM 0 HB2 SER A 67 15.499 -26.487 -9.024 1.00 2.51 H new ATOM 0 HB3 SER A 67 15.428 -25.000 -9.948 1.00 2.51 H new ATOM 0 HG SER A 67 17.741 -26.685 -9.982 1.00 20.33 H new ATOM 1015 N SER A 68 18.223 -25.647 -6.451 1.00 13.23 N ATOM 1016 CA SER A 68 19.138 -26.493 -5.693 1.00 54.41 C ATOM 1017 C SER A 68 18.380 -27.606 -4.976 1.00 63.21 C ATOM 1018 O SER A 68 17.168 -27.522 -4.781 1.00 73.42 O ATOM 1019 CB SER A 68 19.918 -25.655 -4.678 1.00 35.13 C ATOM 1020 OG SER A 68 20.606 -24.593 -5.314 1.00 40.34 O ATOM 0 H SER A 68 17.903 -24.818 -5.951 1.00 13.23 H new ATOM 0 HA SER A 68 19.839 -26.947 -6.393 1.00 54.41 H new ATOM 0 HB2 SER A 68 19.233 -25.253 -3.931 1.00 35.13 H new ATOM 0 HB3 SER A 68 20.630 -26.289 -4.149 1.00 35.13 H new ATOM 0 HG SER A 68 20.092 -23.764 -5.214 1.00 40.34 H new ATOM 1026 N VAL A 69 19.105 -28.650 -4.586 1.00 1.24 N ATOM 1027 CA VAL A 69 18.504 -29.781 -3.889 1.00 54.32 C ATOM 1028 C VAL A 69 19.521 -30.480 -2.995 1.00 65.24 C ATOM 1029 O VAL A 69 19.342 -31.640 -2.624 1.00 42.41 O ATOM 1030 CB VAL A 69 17.919 -30.804 -4.881 1.00 14.12 C ATOM 1031 CG1 VAL A 69 16.629 -30.278 -5.492 1.00 41.15 C ATOM 1032 CG2 VAL A 69 18.935 -31.137 -5.963 1.00 35.20 C ATOM 0 H VAL A 69 20.109 -28.736 -4.741 1.00 1.24 H new ATOM 0 HA VAL A 69 17.699 -29.381 -3.273 1.00 54.32 H new ATOM 0 HB VAL A 69 17.688 -31.720 -4.338 1.00 14.12 H new ATOM 0 HG11 VAL A 69 16.230 -31.014 -6.190 1.00 41.15 H new ATOM 0 HG12 VAL A 69 15.900 -30.095 -4.702 1.00 41.15 H new ATOM 0 HG13 VAL A 69 16.831 -29.347 -6.022 1.00 41.15 H new ATOM 0 HG21 VAL A 69 18.505 -31.861 -6.655 1.00 35.20 H new ATOM 0 HG22 VAL A 69 19.200 -30.229 -6.505 1.00 35.20 H new ATOM 0 HG23 VAL A 69 19.829 -31.560 -5.505 1.00 35.20 H new ATOM 1042 N GLU A 70 20.590 -29.767 -2.654 1.00 11.24 N ATOM 1043 CA GLU A 70 21.637 -30.320 -1.803 1.00 30.40 C ATOM 1044 C GLU A 70 22.721 -29.282 -1.528 1.00 54.43 C ATOM 1045 O GLU A 70 23.905 -29.529 -1.756 1.00 73.21 O ATOM 1046 CB GLU A 70 22.255 -31.558 -2.457 1.00 43.31 C ATOM 1047 CG GLU A 70 22.573 -31.372 -3.931 1.00 64.12 C ATOM 1048 CD GLU A 70 23.747 -32.218 -4.386 1.00 31.22 C ATOM 1049 OE1 GLU A 70 24.902 -31.797 -4.169 1.00 41.45 O ATOM 1050 OE2 GLU A 70 23.509 -33.303 -4.958 1.00 41.40 O ATOM 0 H GLU A 70 20.754 -28.806 -2.954 1.00 11.24 H new ATOM 0 HA GLU A 70 21.184 -30.606 -0.854 1.00 30.40 H new ATOM 0 HB2 GLU A 70 23.170 -31.820 -1.927 1.00 43.31 H new ATOM 0 HB3 GLU A 70 21.570 -32.398 -2.345 1.00 43.31 H new ATOM 0 HG2 GLU A 70 21.695 -31.628 -4.523 1.00 64.12 H new ATOM 0 HG3 GLU A 70 22.791 -30.321 -4.122 1.00 64.12 H new ATOM 1057 N SER A 71 22.306 -28.118 -1.038 1.00 11.10 N ATOM 1058 CA SER A 71 23.240 -27.039 -0.736 1.00 74.31 C ATOM 1059 C SER A 71 22.518 -25.861 -0.089 1.00 32.33 C ATOM 1060 O SER A 71 23.062 -25.192 0.789 1.00 62.11 O ATOM 1061 CB SER A 71 23.949 -26.579 -2.011 1.00 24.02 C ATOM 1062 OG SER A 71 25.229 -27.176 -2.126 1.00 22.41 O ATOM 0 H SER A 71 21.330 -27.898 -0.842 1.00 11.10 H new ATOM 0 HA SER A 71 23.981 -27.419 -0.033 1.00 74.31 H new ATOM 0 HB2 SER A 71 23.344 -26.837 -2.880 1.00 24.02 H new ATOM 0 HB3 SER A 71 24.050 -25.494 -2.004 1.00 24.02 H new ATOM 0 HG SER A 71 25.148 -28.146 -2.016 1.00 22.41 H new ATOM 1068 N ALA A 72 21.288 -25.614 -0.529 1.00 65.32 N ATOM 1069 CA ALA A 72 20.490 -24.519 0.008 1.00 64.14 C ATOM 1070 C ALA A 72 20.449 -24.565 1.531 1.00 25.13 C ATOM 1071 O ALA A 72 20.946 -23.662 2.203 1.00 53.41 O ATOM 1072 CB ALA A 72 19.080 -24.565 -0.562 1.00 22.22 C ATOM 0 H ALA A 72 20.823 -26.158 -1.256 1.00 65.32 H new ATOM 0 HA ALA A 72 20.959 -23.581 -0.288 1.00 64.14 H new ATOM 0 HB1 ALA A 72 18.495 -23.742 -0.152 1.00 22.22 H new ATOM 0 HB2 ALA A 72 19.123 -24.475 -1.647 1.00 22.22 H new ATOM 0 HB3 ALA A 72 18.610 -25.512 -0.295 1.00 22.22 H new ATOM 1078 N GLY A 73 19.854 -25.624 2.071 1.00 34.12 N ATOM 1079 CA GLY A 73 19.758 -25.767 3.512 1.00 23.22 C ATOM 1080 C GLY A 73 19.026 -27.029 3.922 1.00 35.13 C ATOM 1081 O GLY A 73 17.826 -26.996 4.197 1.00 75.44 O ATOM 0 H GLY A 73 19.437 -26.386 1.536 1.00 34.12 H new ATOM 0 HA2 GLY A 73 20.760 -25.777 3.941 1.00 23.22 H new ATOM 0 HA3 GLY A 73 19.242 -24.901 3.926 1.00 23.22 H new ATOM 1085 N ILE A 74 19.747 -28.144 3.963 1.00 44.11 N ATOM 1086 CA ILE A 74 19.158 -29.422 4.342 1.00 54.13 C ATOM 1087 C ILE A 74 20.122 -30.242 5.193 1.00 52.54 C ATOM 1088 O ILE A 74 20.620 -31.288 4.777 1.00 11.01 O ATOM 1089 CB ILE A 74 18.756 -30.245 3.104 1.00 73.41 C ATOM 1090 CG1 ILE A 74 19.903 -30.280 2.093 1.00 44.04 C ATOM 1091 CG2 ILE A 74 17.500 -29.668 2.469 1.00 52.15 C ATOM 1092 CD1 ILE A 74 19.871 -29.136 1.103 1.00 24.31 C ATOM 0 H ILE A 74 20.741 -28.188 3.738 1.00 44.11 H new ATOM 0 HA ILE A 74 18.265 -29.197 4.925 1.00 54.13 H new ATOM 0 HB ILE A 74 18.544 -31.267 3.419 1.00 73.41 H new ATOM 0 HG12 ILE A 74 20.851 -30.258 2.630 1.00 44.04 H new ATOM 0 HG13 ILE A 74 19.867 -31.223 1.548 1.00 44.04 H new ATOM 0 HG21 ILE A 74 17.229 -30.261 1.595 1.00 52.15 H new ATOM 0 HG22 ILE A 74 16.684 -29.691 3.191 1.00 52.15 H new ATOM 0 HG23 ILE A 74 17.686 -28.638 2.165 1.00 52.15 H new ATOM 0 HD11 ILE A 74 20.713 -29.225 0.417 1.00 24.31 H new ATOM 0 HD12 ILE A 74 18.939 -29.169 0.539 1.00 24.31 H new ATOM 0 HD13 ILE A 74 19.938 -28.189 1.639 1.00 24.31 H new ATOM 1104 N PRO A 75 20.391 -29.757 6.414 1.00 22.31 N ATOM 1105 CA PRO A 75 21.296 -30.431 7.351 1.00 53.32 C ATOM 1106 C PRO A 75 20.619 -31.585 8.082 1.00 15.54 C ATOM 1107 O PRO A 75 21.140 -32.699 8.120 1.00 32.24 O ATOM 1108 CB PRO A 75 21.676 -29.322 8.336 1.00 74.32 C ATOM 1109 CG PRO A 75 20.543 -28.356 8.274 1.00 23.21 C ATOM 1110 CD PRO A 75 19.833 -28.516 6.975 1.00 0.52 C ATOM 0 HA PRO A 75 22.150 -30.879 6.843 1.00 53.32 H new ATOM 0 HB2 PRO A 75 21.806 -29.715 9.344 1.00 74.32 H new ATOM 0 HB3 PRO A 75 22.616 -28.848 8.055 1.00 74.32 H new ATOM 0 HG2 PRO A 75 19.855 -28.530 9.102 1.00 23.21 H new ATOM 0 HG3 PRO A 75 20.913 -27.336 8.376 1.00 23.21 H new ATOM 0 HD2 PRO A 75 18.755 -28.591 7.116 1.00 0.52 H new ATOM 0 HD3 PRO A 75 20.010 -27.666 6.316 1.00 0.52 H new ATOM 1118 N ASP A 76 19.455 -31.310 8.662 1.00 70.04 N ATOM 1119 CA ASP A 76 18.705 -32.326 9.391 1.00 24.21 C ATOM 1120 C ASP A 76 17.406 -31.750 9.945 1.00 2.13 C ATOM 1121 O ASP A 76 16.379 -32.426 9.975 1.00 11.10 O ATOM 1122 CB ASP A 76 19.552 -32.895 10.530 1.00 24.44 C ATOM 1123 CG ASP A 76 20.333 -31.822 11.263 1.00 21.24 C ATOM 1124 OD1 ASP A 76 19.784 -31.239 12.221 1.00 32.32 O ATOM 1125 OD2 ASP A 76 21.493 -31.565 10.879 1.00 41.44 O ATOM 0 H ASP A 76 19.011 -30.392 8.641 1.00 70.04 H new ATOM 0 HA ASP A 76 18.458 -33.129 8.696 1.00 24.21 H new ATOM 0 HB2 ASP A 76 18.904 -33.415 11.236 1.00 24.44 H new ATOM 0 HB3 ASP A 76 20.245 -33.635 10.129 1.00 24.44 H new ATOM 1130 N ASN A 77 17.461 -30.497 10.385 1.00 53.45 N ATOM 1131 CA ASN A 77 16.288 -29.830 10.940 1.00 45.34 C ATOM 1132 C ASN A 77 16.621 -28.399 11.353 1.00 61.24 C ATOM 1133 O ASN A 77 16.409 -28.008 12.500 1.00 34.23 O ATOM 1134 CB ASN A 77 15.755 -30.609 12.143 1.00 11.04 C ATOM 1135 CG ASN A 77 16.866 -31.227 12.970 1.00 35.43 C ATOM 1136 OD1 ASN A 77 17.623 -30.523 13.638 1.00 32.34 O ATOM 1137 ND2 ASN A 77 16.967 -32.551 12.928 1.00 4.24 N ATOM 0 H ASN A 77 18.304 -29.923 10.368 1.00 53.45 H new ATOM 0 HA ASN A 77 15.520 -29.797 10.168 1.00 45.34 H new ATOM 0 HB2 ASN A 77 15.166 -29.942 12.772 1.00 11.04 H new ATOM 0 HB3 ASN A 77 15.084 -31.395 11.795 1.00 11.04 H new ATOM 0 HD21 ASN A 77 17.695 -33.024 13.464 1.00 4.24 H new ATOM 0 HD22 ASN A 77 16.317 -33.094 12.360 1.00 4.24 H new ATOM 1144 N SER A 78 17.144 -27.623 10.409 1.00 54.23 N ATOM 1145 CA SER A 78 17.509 -26.236 10.675 1.00 72.43 C ATOM 1146 C SER A 78 16.403 -25.287 10.223 1.00 31.13 C ATOM 1147 O SER A 78 15.489 -25.682 9.498 1.00 44.50 O ATOM 1148 CB SER A 78 18.818 -25.886 9.965 1.00 61.52 C ATOM 1149 OG SER A 78 19.152 -24.522 10.153 1.00 34.23 O ATOM 0 H SER A 78 17.324 -27.931 9.453 1.00 54.23 H new ATOM 0 HA SER A 78 17.645 -26.122 11.750 1.00 72.43 H new ATOM 0 HB2 SER A 78 19.622 -26.516 10.346 1.00 61.52 H new ATOM 0 HB3 SER A 78 18.725 -26.097 8.900 1.00 61.52 H new ATOM 0 HG SER A 78 19.993 -24.325 9.691 1.00 34.23 H new ATOM 1155 N ILE A 79 16.493 -24.035 10.658 1.00 41.20 N ATOM 1156 CA ILE A 79 15.502 -23.029 10.298 1.00 13.43 C ATOM 1157 C ILE A 79 16.060 -22.049 9.272 1.00 2.43 C ATOM 1158 O ILE A 79 17.269 -21.829 9.202 1.00 24.23 O ATOM 1159 CB ILE A 79 15.023 -22.244 11.534 1.00 54.43 C ATOM 1160 CG1 ILE A 79 14.710 -23.202 12.685 1.00 71.25 C ATOM 1161 CG2 ILE A 79 13.800 -21.406 11.188 1.00 65.11 C ATOM 1162 CD1 ILE A 79 14.294 -22.501 13.959 1.00 73.23 C ATOM 0 H ILE A 79 17.242 -23.693 11.260 1.00 41.20 H new ATOM 0 HA ILE A 79 14.655 -23.561 9.864 1.00 13.43 H new ATOM 0 HB ILE A 79 15.822 -21.573 11.852 1.00 54.43 H new ATOM 0 HG12 ILE A 79 13.914 -23.880 12.376 1.00 71.25 H new ATOM 0 HG13 ILE A 79 15.589 -23.814 12.887 1.00 71.25 H new ATOM 0 HG21 ILE A 79 13.473 -20.857 12.071 1.00 65.11 H new ATOM 0 HG22 ILE A 79 14.054 -20.701 10.396 1.00 65.11 H new ATOM 0 HG23 ILE A 79 12.996 -22.059 10.848 1.00 65.11 H new ATOM 0 HD11 ILE A 79 14.088 -23.242 14.731 1.00 73.23 H new ATOM 0 HD12 ILE A 79 15.098 -21.844 14.292 1.00 73.23 H new ATOM 0 HD13 ILE A 79 13.396 -21.911 13.773 1.00 73.23 H new ATOM 1174 N SER A 80 15.171 -21.460 8.479 1.00 71.33 N ATOM 1175 CA SER A 80 15.575 -20.504 7.454 1.00 32.24 C ATOM 1176 C SER A 80 14.478 -19.472 7.212 1.00 73.24 C ATOM 1177 O SER A 80 13.302 -19.726 7.474 1.00 61.44 O ATOM 1178 CB SER A 80 15.904 -21.232 6.149 1.00 4.45 C ATOM 1179 OG SER A 80 14.853 -22.103 5.772 1.00 73.03 O ATOM 0 H SER A 80 14.166 -21.628 8.526 1.00 71.33 H new ATOM 0 HA SER A 80 16.466 -19.985 7.806 1.00 32.24 H new ATOM 0 HB2 SER A 80 16.079 -20.504 5.357 1.00 4.45 H new ATOM 0 HB3 SER A 80 16.826 -21.800 6.269 1.00 4.45 H new ATOM 0 HG SER A 80 15.087 -22.555 4.935 1.00 73.03 H new ATOM 1185 N SER A 81 14.871 -18.306 6.709 1.00 64.40 N ATOM 1186 CA SER A 81 13.923 -17.233 6.434 1.00 62.32 C ATOM 1187 C SER A 81 14.511 -16.229 5.448 1.00 40.44 C ATOM 1188 O SER A 81 15.729 -16.131 5.295 1.00 52.30 O ATOM 1189 CB SER A 81 13.534 -16.523 7.732 1.00 74.14 C ATOM 1190 OG SER A 81 12.141 -16.626 7.971 1.00 33.31 O ATOM 0 H SER A 81 15.840 -18.080 6.484 1.00 64.40 H new ATOM 0 HA SER A 81 13.031 -17.674 5.988 1.00 62.32 H new ATOM 0 HB2 SER A 81 14.083 -16.958 8.567 1.00 74.14 H new ATOM 0 HB3 SER A 81 13.820 -15.473 7.676 1.00 74.14 H new ATOM 0 HG SER A 81 11.918 -16.166 8.807 1.00 33.31 H new ATOM 1196 N PHE A 82 13.636 -15.483 4.780 1.00 64.41 N ATOM 1197 CA PHE A 82 14.067 -14.486 3.807 1.00 62.20 C ATOM 1198 C PHE A 82 13.069 -13.335 3.730 1.00 53.12 C ATOM 1199 O PHE A 82 11.857 -13.551 3.689 1.00 65.31 O ATOM 1200 CB PHE A 82 14.232 -15.127 2.427 1.00 12.32 C ATOM 1201 CG PHE A 82 12.927 -15.440 1.752 1.00 21.34 C ATOM 1202 CD1 PHE A 82 12.029 -16.323 2.329 1.00 75.50 C ATOM 1203 CD2 PHE A 82 12.599 -14.852 0.542 1.00 40.32 C ATOM 1204 CE1 PHE A 82 10.828 -16.614 1.710 1.00 73.34 C ATOM 1205 CE2 PHE A 82 11.399 -15.138 -0.082 1.00 64.41 C ATOM 1206 CZ PHE A 82 10.512 -16.020 0.503 1.00 22.23 C ATOM 0 H PHE A 82 12.625 -15.550 4.895 1.00 64.41 H new ATOM 0 HA PHE A 82 15.028 -14.089 4.132 1.00 62.20 H new ATOM 0 HB2 PHE A 82 14.810 -14.457 1.790 1.00 12.32 H new ATOM 0 HB3 PHE A 82 14.809 -16.046 2.529 1.00 12.32 H new ATOM 0 HD1 PHE A 82 12.270 -16.789 3.273 1.00 75.50 H new ATOM 0 HD2 PHE A 82 13.289 -14.161 0.080 1.00 40.32 H new ATOM 0 HE1 PHE A 82 10.137 -17.305 2.169 1.00 73.34 H new ATOM 0 HE2 PHE A 82 11.156 -14.672 -1.026 1.00 64.41 H new ATOM 0 HZ PHE A 82 9.573 -16.245 0.018 1.00 22.23 H new ATOM 1216 N ARG A 83 13.586 -12.111 3.711 1.00 43.00 N ATOM 1217 CA ARG A 83 12.741 -10.925 3.641 1.00 63.13 C ATOM 1218 C ARG A 83 12.584 -10.455 2.198 1.00 54.42 C ATOM 1219 O ARG A 83 13.566 -10.315 1.470 1.00 21.40 O ATOM 1220 CB ARG A 83 13.332 -9.801 4.493 1.00 11.44 C ATOM 1221 CG ARG A 83 13.290 -10.082 5.986 1.00 32.04 C ATOM 1222 CD ARG A 83 12.304 -9.169 6.698 1.00 51.41 C ATOM 1223 NE ARG A 83 12.164 -9.509 8.111 1.00 4.33 N ATOM 1224 CZ ARG A 83 11.180 -9.059 8.882 1.00 44.42 C ATOM 1225 NH1 ARG A 83 10.254 -8.255 8.378 1.00 2.21 N ATOM 1226 NH2 ARG A 83 11.121 -9.413 10.159 1.00 23.02 N ATOM 0 H ARG A 83 14.586 -11.915 3.743 1.00 43.00 H new ATOM 0 HA ARG A 83 11.757 -11.187 4.029 1.00 63.13 H new ATOM 0 HB2 ARG A 83 14.366 -9.634 4.192 1.00 11.44 H new ATOM 0 HB3 ARG A 83 12.788 -8.878 4.290 1.00 11.44 H new ATOM 0 HG2 ARG A 83 13.011 -11.122 6.154 1.00 32.04 H new ATOM 0 HG3 ARG A 83 14.285 -9.947 6.411 1.00 32.04 H new ATOM 0 HD2 ARG A 83 12.636 -8.135 6.605 1.00 51.41 H new ATOM 0 HD3 ARG A 83 11.331 -9.236 6.211 1.00 51.41 H new ATOM 0 HE ARG A 83 12.860 -10.126 8.529 1.00 4.33 H new ATOM 0 HH11 ARG A 83 10.296 -7.981 7.396 1.00 2.21 H new ATOM 0 HH12 ARG A 83 9.499 -7.911 8.972 1.00 2.21 H new ATOM 0 HH21 ARG A 83 11.832 -10.031 10.550 1.00 23.02 H new ATOM 0 HH22 ARG A 83 10.365 -9.067 10.750 1.00 23.02 H new ATOM 1240 N GLN A 84 11.341 -10.212 1.792 1.00 22.32 N ATOM 1241 CA GLN A 84 11.056 -9.759 0.436 1.00 14.11 C ATOM 1242 C GLN A 84 10.898 -8.243 0.391 1.00 40.40 C ATOM 1243 O GLN A 84 10.178 -7.660 1.202 1.00 54.53 O ATOM 1244 CB GLN A 84 9.787 -10.431 -0.093 1.00 25.34 C ATOM 1245 CG GLN A 84 9.685 -10.429 -1.609 1.00 53.03 C ATOM 1246 CD GLN A 84 8.726 -9.375 -2.128 1.00 4.14 C ATOM 1247 OE1 GLN A 84 9.095 -8.534 -2.948 1.00 71.13 O ATOM 1248 NE2 GLN A 84 7.488 -9.414 -1.650 1.00 71.44 N ATOM 0 H GLN A 84 10.517 -10.321 2.383 1.00 22.32 H new ATOM 0 HA GLN A 84 11.898 -10.038 -0.198 1.00 14.11 H new ATOM 0 HB2 GLN A 84 9.755 -11.461 0.264 1.00 25.34 H new ATOM 0 HB3 GLN A 84 8.917 -9.923 0.322 1.00 25.34 H new ATOM 0 HG2 GLN A 84 10.673 -10.257 -2.036 1.00 53.03 H new ATOM 0 HG3 GLN A 84 9.358 -11.412 -1.949 1.00 53.03 H new ATOM 0 HE21 GLN A 84 7.226 -10.129 -0.971 1.00 71.44 H new ATOM 0 HE22 GLN A 84 6.799 -8.729 -1.961 1.00 71.44 H new ATOM 1257 N ILE A 85 11.576 -7.610 -0.561 1.00 22.42 N ATOM 1258 CA ILE A 85 11.510 -6.162 -0.711 1.00 64.13 C ATOM 1259 C ILE A 85 11.376 -5.767 -2.178 1.00 64.42 C ATOM 1260 O ILE A 85 12.227 -6.102 -3.003 1.00 21.45 O ATOM 1261 CB ILE A 85 12.756 -5.477 -0.119 1.00 21.32 C ATOM 1262 CG1 ILE A 85 14.015 -6.277 -0.459 1.00 62.23 C ATOM 1263 CG2 ILE A 85 12.610 -5.325 1.388 1.00 43.52 C ATOM 1264 CD1 ILE A 85 15.296 -5.491 -0.285 1.00 71.41 C ATOM 0 H ILE A 85 12.177 -8.078 -1.240 1.00 22.42 H new ATOM 0 HA ILE A 85 10.628 -5.828 -0.165 1.00 64.13 H new ATOM 0 HB ILE A 85 12.850 -4.484 -0.558 1.00 21.32 H new ATOM 0 HG12 ILE A 85 14.054 -7.164 0.173 1.00 62.23 H new ATOM 0 HG13 ILE A 85 13.948 -6.623 -1.490 1.00 62.23 H new ATOM 0 HG21 ILE A 85 13.498 -4.839 1.792 1.00 43.52 H new ATOM 0 HG22 ILE A 85 11.732 -4.718 1.609 1.00 43.52 H new ATOM 0 HG23 ILE A 85 12.495 -6.309 1.843 1.00 43.52 H new ATOM 0 HD11 ILE A 85 16.147 -6.121 -0.544 1.00 71.41 H new ATOM 0 HD12 ILE A 85 15.279 -4.618 -0.938 1.00 71.41 H new ATOM 0 HD13 ILE A 85 15.386 -5.167 0.752 1.00 71.41 H new TER 1276 ILE A 85