USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=21 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 Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.535) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00059 (180deg=-0.202) USER MOD Single : A 2 ASN : amide:sc= -0.195 K(o=-0.19,f=1.1) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.66) USER MOD Single : A 13 ASN : amide:sc= -0.183 K(o=-0.18,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0.0416 (180deg=0.034) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 124:sc= 0.0118 USER MOD Single : A 25 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.2!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -82:sc= 0.896 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0973 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 66 TYR OH : rot -66:sc= 0.309! USER MOD Single : A 67 SER OG : rot 57:sc= 0.914 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -44:sc= 0.819 USER MOD Single : A 77 ASN : amide:sc= -1.65 K(o=-1.6,f=-2.3) USER MOD Single : A 78 SER OG : rot 180:sc= -0.705 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -7.37! C(o=-7.4!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.250 0.379 -4.388 1.00 43.14 N ATOM 2 CA MET A 1 3.000 -0.996 -4.805 1.00 3.13 C ATOM 3 C MET A 1 1.571 -1.159 -5.311 1.00 72.24 C ATOM 4 O MET A 1 1.312 -1.943 -6.224 1.00 13.42 O ATOM 5 CB MET A 1 3.255 -1.958 -3.642 1.00 52.44 C ATOM 6 CG MET A 1 4.165 -3.120 -4.004 1.00 4.15 C ATOM 7 SD MET A 1 5.778 -3.013 -3.204 1.00 62.15 S ATOM 8 CE MET A 1 6.395 -1.478 -3.890 1.00 52.25 C ATOM 0 H1 MET A 1 4.272 0.522 -4.258 1.00 43.14 H new ATOM 0 H2 MET A 1 2.899 1.032 -5.117 1.00 43.14 H new ATOM 0 H3 MET A 1 2.758 0.565 -3.491 1.00 43.14 H new ATOM 0 HA MET A 1 3.684 -1.233 -5.620 1.00 3.13 H new ATOM 0 HB2 MET A 1 3.698 -1.405 -2.814 1.00 52.44 H new ATOM 0 HB3 MET A 1 2.301 -2.350 -3.290 1.00 52.44 H new ATOM 0 HG2 MET A 1 3.684 -4.056 -3.720 1.00 4.15 H new ATOM 0 HG3 MET A 1 4.301 -3.147 -5.085 1.00 4.15 H new ATOM 0 HE1 MET A 1 7.480 -1.444 -3.789 1.00 52.25 H new ATOM 0 HE2 MET A 1 6.127 -1.417 -4.945 1.00 52.25 H new ATOM 0 HE3 MET A 1 5.955 -0.637 -3.354 1.00 52.25 H new ATOM 18 N ASN A 2 0.647 -0.415 -4.713 1.00 11.52 N ATOM 19 CA ASN A 2 -0.757 -0.478 -5.103 1.00 62.05 C ATOM 20 C ASN A 2 -1.447 0.863 -4.874 1.00 4.33 C ATOM 21 O ASN A 2 -2.096 1.071 -3.850 1.00 12.35 O ATOM 22 CB ASN A 2 -1.477 -1.576 -4.318 1.00 52.21 C ATOM 23 CG ASN A 2 -1.005 -1.662 -2.879 1.00 72.15 C ATOM 24 OD1 ASN A 2 -1.069 -0.685 -2.134 1.00 12.42 O ATOM 25 ND2 ASN A 2 -0.527 -2.836 -2.483 1.00 75.11 N ATOM 0 H ASN A 2 0.845 0.239 -3.956 1.00 11.52 H new ATOM 0 HA ASN A 2 -0.802 -0.712 -6.167 1.00 62.05 H new ATOM 0 HB2 ASN A 2 -2.550 -1.387 -4.335 1.00 52.21 H new ATOM 0 HB3 ASN A 2 -1.315 -2.536 -4.809 1.00 52.21 H new ATOM 0 HD21 ASN A 2 -0.194 -2.955 -1.526 1.00 75.11 H new ATOM 0 HD22 ASN A 2 -0.493 -3.619 -3.136 1.00 75.11 H new ATOM 32 N ALA A 3 -1.301 1.770 -5.835 1.00 22.33 N ATOM 33 CA ALA A 3 -1.912 3.090 -5.739 1.00 25.32 C ATOM 34 C ALA A 3 -2.750 3.398 -6.975 1.00 23.12 C ATOM 35 O ALA A 3 -2.483 4.361 -7.692 1.00 54.44 O ATOM 36 CB ALA A 3 -0.841 4.154 -5.546 1.00 32.32 C ATOM 0 H ALA A 3 -0.765 1.614 -6.689 1.00 22.33 H new ATOM 0 HA ALA A 3 -2.574 3.095 -4.873 1.00 25.32 H new ATOM 0 HB1 ALA A 3 -1.311 5.135 -5.476 1.00 32.32 H new ATOM 0 HB2 ALA A 3 -0.287 3.951 -4.629 1.00 32.32 H new ATOM 0 HB3 ALA A 3 -0.157 4.139 -6.394 1.00 32.32 H new ATOM 42 N ALA A 4 -3.763 2.573 -7.218 1.00 21.12 N ATOM 43 CA ALA A 4 -4.641 2.759 -8.367 1.00 24.54 C ATOM 44 C ALA A 4 -6.046 2.245 -8.072 1.00 51.23 C ATOM 45 O ALA A 4 -6.216 1.208 -7.433 1.00 61.52 O ATOM 46 CB ALA A 4 -4.066 2.058 -9.589 1.00 22.23 C ATOM 0 H ALA A 4 -3.996 1.769 -6.635 1.00 21.12 H new ATOM 0 HA ALA A 4 -4.709 3.827 -8.573 1.00 24.54 H new ATOM 0 HB1 ALA A 4 -4.732 2.205 -10.440 1.00 22.23 H new ATOM 0 HB2 ALA A 4 -3.085 2.474 -9.819 1.00 22.23 H new ATOM 0 HB3 ALA A 4 -3.969 0.992 -9.385 1.00 22.23 H new ATOM 52 N GLU A 5 -7.050 2.979 -8.542 1.00 42.32 N ATOM 53 CA GLU A 5 -8.441 2.597 -8.327 1.00 44.41 C ATOM 54 C GLU A 5 -9.241 2.706 -9.622 1.00 31.22 C ATOM 55 O GLU A 5 -9.634 3.798 -10.033 1.00 24.14 O ATOM 56 CB GLU A 5 -9.073 3.479 -7.248 1.00 75.50 C ATOM 57 CG GLU A 5 -8.213 3.631 -6.005 1.00 33.22 C ATOM 58 CD GLU A 5 -9.033 3.666 -4.729 1.00 65.13 C ATOM 59 OE1 GLU A 5 -10.207 4.085 -4.789 1.00 73.32 O ATOM 60 OE2 GLU A 5 -8.498 3.274 -3.671 1.00 20.13 O ATOM 0 H GLU A 5 -6.926 3.841 -9.074 1.00 42.32 H new ATOM 0 HA GLU A 5 -8.460 1.559 -7.995 1.00 44.41 H new ATOM 0 HB2 GLU A 5 -9.269 4.466 -7.667 1.00 75.50 H new ATOM 0 HB3 GLU A 5 -10.036 3.056 -6.963 1.00 75.50 H new ATOM 0 HG2 GLU A 5 -7.504 2.804 -5.955 1.00 33.22 H new ATOM 0 HG3 GLU A 5 -7.628 4.548 -6.082 1.00 33.22 H new ATOM 67 N VAL A 6 -9.479 1.565 -10.261 1.00 20.21 N ATOM 68 CA VAL A 6 -10.233 1.530 -11.508 1.00 44.05 C ATOM 69 C VAL A 6 -11.635 0.974 -11.288 1.00 62.42 C ATOM 70 O VAL A 6 -11.826 -0.240 -11.205 1.00 62.15 O ATOM 71 CB VAL A 6 -9.516 0.679 -12.574 1.00 1.14 C ATOM 72 CG1 VAL A 6 -10.419 0.459 -13.778 1.00 21.13 C ATOM 73 CG2 VAL A 6 -8.209 1.337 -12.990 1.00 53.31 C ATOM 0 H VAL A 6 -9.160 0.652 -9.935 1.00 20.21 H new ATOM 0 HA VAL A 6 -10.305 2.558 -11.863 1.00 44.05 H new ATOM 0 HB VAL A 6 -9.284 -0.294 -12.142 1.00 1.14 H new ATOM 0 HG11 VAL A 6 -9.896 -0.144 -14.520 1.00 21.13 H new ATOM 0 HG12 VAL A 6 -11.325 -0.059 -13.463 1.00 21.13 H new ATOM 0 HG13 VAL A 6 -10.684 1.422 -14.215 1.00 21.13 H new ATOM 0 HG21 VAL A 6 -7.716 0.723 -13.743 1.00 53.31 H new ATOM 0 HG22 VAL A 6 -8.414 2.324 -13.404 1.00 53.31 H new ATOM 0 HG23 VAL A 6 -7.559 1.437 -12.121 1.00 53.31 H new ATOM 83 N ILE A 7 -12.612 1.868 -11.195 1.00 15.44 N ATOM 84 CA ILE A 7 -13.998 1.466 -10.986 1.00 2.45 C ATOM 85 C ILE A 7 -14.847 1.760 -12.217 1.00 73.15 C ATOM 86 O ILE A 7 -14.970 2.909 -12.641 1.00 0.41 O ATOM 87 CB ILE A 7 -14.614 2.182 -9.769 1.00 31.43 C ATOM 88 CG1 ILE A 7 -16.091 1.808 -9.624 1.00 23.21 C ATOM 89 CG2 ILE A 7 -14.454 3.689 -9.903 1.00 72.50 C ATOM 90 CD1 ILE A 7 -16.637 2.031 -8.231 1.00 42.30 C ATOM 0 H ILE A 7 -12.470 2.876 -11.261 1.00 15.44 H new ATOM 0 HA ILE A 7 -13.991 0.392 -10.801 1.00 2.45 H new ATOM 0 HB ILE A 7 -14.087 1.859 -8.871 1.00 31.43 H new ATOM 0 HG12 ILE A 7 -16.677 2.393 -10.333 1.00 23.21 H new ATOM 0 HG13 ILE A 7 -16.220 0.759 -9.892 1.00 23.21 H new ATOM 0 HG21 ILE A 7 -14.894 4.180 -9.035 1.00 72.50 H new ATOM 0 HG22 ILE A 7 -13.395 3.939 -9.963 1.00 72.50 H new ATOM 0 HG23 ILE A 7 -14.958 4.029 -10.807 1.00 72.50 H new ATOM 0 HD11 ILE A 7 -17.688 1.745 -8.202 1.00 42.30 H new ATOM 0 HD12 ILE A 7 -16.076 1.425 -7.519 1.00 42.30 H new ATOM 0 HD13 ILE A 7 -16.540 3.084 -7.967 1.00 42.30 H new ATOM 102 N VAL A 8 -15.434 0.713 -12.788 1.00 70.43 N ATOM 103 CA VAL A 8 -16.275 0.858 -13.970 1.00 71.33 C ATOM 104 C VAL A 8 -17.536 0.008 -13.855 1.00 43.15 C ATOM 105 O VAL A 8 -17.589 -0.939 -13.070 1.00 54.22 O ATOM 106 CB VAL A 8 -15.517 0.461 -15.251 1.00 22.01 C ATOM 107 CG1 VAL A 8 -14.206 1.226 -15.355 1.00 15.44 C ATOM 108 CG2 VAL A 8 -15.271 -1.040 -15.281 1.00 2.14 C ATOM 0 H VAL A 8 -15.342 -0.245 -12.451 1.00 70.43 H new ATOM 0 HA VAL A 8 -16.553 1.910 -14.033 1.00 71.33 H new ATOM 0 HB VAL A 8 -16.132 0.723 -16.112 1.00 22.01 H new ATOM 0 HG11 VAL A 8 -13.685 0.932 -16.266 1.00 15.44 H new ATOM 0 HG12 VAL A 8 -14.411 2.296 -15.383 1.00 15.44 H new ATOM 0 HG13 VAL A 8 -13.582 0.998 -14.491 1.00 15.44 H new ATOM 0 HG21 VAL A 8 -14.735 -1.303 -16.193 1.00 2.14 H new ATOM 0 HG22 VAL A 8 -14.676 -1.329 -14.414 1.00 2.14 H new ATOM 0 HG23 VAL A 8 -16.226 -1.566 -15.257 1.00 2.14 H new ATOM 118 N TYR A 9 -18.548 0.352 -14.644 1.00 11.25 N ATOM 119 CA TYR A 9 -19.810 -0.378 -14.629 1.00 52.23 C ATOM 120 C TYR A 9 -20.109 -0.977 -16.000 1.00 44.33 C ATOM 121 O TYR A 9 -19.895 -0.336 -17.029 1.00 13.22 O ATOM 122 CB TYR A 9 -20.953 0.546 -14.204 1.00 60.21 C ATOM 123 CG TYR A 9 -20.958 0.861 -12.725 1.00 53.34 C ATOM 124 CD1 TYR A 9 -19.889 1.522 -12.132 1.00 72.43 C ATOM 125 CD2 TYR A 9 -22.032 0.499 -11.921 1.00 64.53 C ATOM 126 CE1 TYR A 9 -19.889 1.811 -10.781 1.00 52.45 C ATOM 127 CE2 TYR A 9 -22.041 0.786 -10.570 1.00 61.41 C ATOM 128 CZ TYR A 9 -20.967 1.442 -10.005 1.00 35.22 C ATOM 129 OH TYR A 9 -20.972 1.728 -8.659 1.00 13.31 O ATOM 0 H TYR A 9 -18.519 1.131 -15.302 1.00 11.25 H new ATOM 0 HA TYR A 9 -19.722 -1.191 -13.908 1.00 52.23 H new ATOM 0 HB2 TYR A 9 -20.884 1.478 -14.765 1.00 60.21 H new ATOM 0 HB3 TYR A 9 -21.903 0.082 -14.472 1.00 60.21 H new ATOM 0 HD1 TYR A 9 -19.044 1.815 -12.738 1.00 72.43 H new ATOM 0 HD2 TYR A 9 -22.874 -0.016 -12.360 1.00 64.53 H new ATOM 0 HE1 TYR A 9 -19.049 2.323 -10.335 1.00 52.45 H new ATOM 0 HE2 TYR A 9 -22.884 0.498 -9.959 1.00 61.41 H new ATOM 0 HH TYR A 9 -21.805 1.402 -8.258 1.00 13.31 H new ATOM 139 N GLU A 10 -20.604 -2.210 -16.005 1.00 33.21 N ATOM 140 CA GLU A 10 -20.932 -2.896 -17.249 1.00 72.41 C ATOM 141 C GLU A 10 -22.406 -2.714 -17.599 1.00 34.24 C ATOM 142 O GLU A 10 -23.010 -3.564 -18.255 1.00 11.15 O ATOM 143 CB GLU A 10 -20.604 -4.387 -17.137 1.00 44.45 C ATOM 144 CG GLU A 10 -19.131 -4.702 -17.340 1.00 71.01 C ATOM 145 CD GLU A 10 -18.343 -4.664 -16.045 1.00 62.13 C ATOM 146 OE1 GLU A 10 -18.688 -5.425 -15.118 1.00 23.25 O ATOM 147 OE2 GLU A 10 -17.380 -3.873 -15.961 1.00 12.24 O ATOM 0 H GLU A 10 -20.787 -2.754 -15.162 1.00 33.21 H new ATOM 0 HA GLU A 10 -20.330 -2.457 -18.045 1.00 72.41 H new ATOM 0 HB2 GLU A 10 -20.912 -4.746 -16.155 1.00 44.45 H new ATOM 0 HB3 GLU A 10 -21.190 -4.936 -17.875 1.00 44.45 H new ATOM 0 HG2 GLU A 10 -19.033 -5.689 -17.792 1.00 71.01 H new ATOM 0 HG3 GLU A 10 -18.704 -3.986 -18.042 1.00 71.01 H new ATOM 154 N HIS A 11 -22.980 -1.600 -17.155 1.00 75.32 N ATOM 155 CA HIS A 11 -24.384 -1.306 -17.421 1.00 11.44 C ATOM 156 C HIS A 11 -24.718 0.134 -17.041 1.00 72.11 C ATOM 157 O HIS A 11 -23.829 0.927 -16.731 1.00 54.32 O ATOM 158 CB HIS A 11 -25.284 -2.271 -16.649 1.00 55.10 C ATOM 159 CG HIS A 11 -26.309 -2.949 -17.506 1.00 0.23 C ATOM 160 ND1 HIS A 11 -26.944 -2.323 -18.557 1.00 51.34 N ATOM 161 CD2 HIS A 11 -26.807 -4.207 -17.463 1.00 3.23 C ATOM 162 CE1 HIS A 11 -27.789 -3.166 -19.123 1.00 54.42 C ATOM 163 NE2 HIS A 11 -27.725 -4.316 -18.478 1.00 21.31 N ATOM 0 H HIS A 11 -22.495 -0.887 -16.610 1.00 75.32 H new ATOM 0 HA HIS A 11 -24.561 -1.432 -18.489 1.00 11.44 H new ATOM 0 HB2 HIS A 11 -24.664 -3.029 -16.170 1.00 55.10 H new ATOM 0 HB3 HIS A 11 -25.791 -1.725 -15.854 1.00 55.10 H new ATOM 0 HD2 HIS A 11 -26.533 -4.981 -16.761 1.00 3.23 H new ATOM 0 HE1 HIS A 11 -28.424 -2.951 -19.970 1.00 54.42 H new ATOM 0 HE2 HIS A 11 -28.269 -5.150 -18.698 1.00 21.31 H new ATOM 171 N VAL A 12 -26.005 0.465 -17.068 1.00 75.55 N ATOM 172 CA VAL A 12 -26.457 1.808 -16.727 1.00 51.12 C ATOM 173 C VAL A 12 -26.090 2.163 -15.290 1.00 75.35 C ATOM 174 O VAL A 12 -25.615 1.317 -14.534 1.00 11.21 O ATOM 175 CB VAL A 12 -27.980 1.951 -16.907 1.00 31.11 C ATOM 176 CG1 VAL A 12 -28.707 1.577 -15.624 1.00 22.10 C ATOM 177 CG2 VAL A 12 -28.335 3.366 -17.337 1.00 51.22 C ATOM 0 H VAL A 12 -26.753 -0.179 -17.323 1.00 75.55 H new ATOM 0 HA VAL A 12 -25.953 2.494 -17.408 1.00 51.12 H new ATOM 0 HB VAL A 12 -28.301 1.266 -17.691 1.00 31.11 H new ATOM 0 HG11 VAL A 12 -29.782 1.684 -15.770 1.00 22.10 H new ATOM 0 HG12 VAL A 12 -28.477 0.544 -15.364 1.00 22.10 H new ATOM 0 HG13 VAL A 12 -28.383 2.235 -14.817 1.00 22.10 H new ATOM 0 HG21 VAL A 12 -29.415 3.449 -17.459 1.00 51.22 H new ATOM 0 HG22 VAL A 12 -28.001 4.072 -16.577 1.00 51.22 H new ATOM 0 HG23 VAL A 12 -27.844 3.593 -18.283 1.00 51.22 H new ATOM 187 N ASN A 13 -26.316 3.419 -14.921 1.00 45.51 N ATOM 188 CA ASN A 13 -26.009 3.887 -13.574 1.00 63.21 C ATOM 189 C ASN A 13 -27.177 3.625 -12.628 1.00 41.02 C ATOM 190 O ASN A 13 -27.506 4.459 -11.785 1.00 2.52 O ATOM 191 CB ASN A 13 -25.678 5.381 -13.593 1.00 72.40 C ATOM 192 CG ASN A 13 -24.519 5.728 -12.679 1.00 32.13 C ATOM 193 OD1 ASN A 13 -23.657 4.893 -12.407 1.00 65.30 O ATOM 194 ND2 ASN A 13 -24.495 6.966 -12.199 1.00 23.10 N ATOM 0 H ASN A 13 -26.711 4.131 -15.535 1.00 45.51 H new ATOM 0 HA ASN A 13 -25.141 3.335 -13.213 1.00 63.21 H new ATOM 0 HB2 ASN A 13 -25.437 5.684 -14.612 1.00 72.40 H new ATOM 0 HB3 ASN A 13 -26.558 5.949 -13.291 1.00 72.40 H new ATOM 0 HD21 ASN A 13 -23.740 7.258 -11.578 1.00 23.10 H new ATOM 0 HD22 ASN A 13 -25.231 7.625 -12.452 1.00 23.10 H new ATOM 201 N PHE A 14 -27.800 2.460 -12.774 1.00 42.34 N ATOM 202 CA PHE A 14 -28.932 2.088 -11.934 1.00 23.03 C ATOM 203 C PHE A 14 -29.539 0.766 -12.393 1.00 64.52 C ATOM 204 O PHE A 14 -30.752 0.573 -12.335 1.00 13.31 O ATOM 205 CB PHE A 14 -29.996 3.187 -11.959 1.00 72.30 C ATOM 206 CG PHE A 14 -30.305 3.691 -13.340 1.00 23.21 C ATOM 207 CD1 PHE A 14 -31.158 2.987 -14.174 1.00 34.01 C ATOM 208 CD2 PHE A 14 -29.742 4.869 -13.804 1.00 25.34 C ATOM 209 CE1 PHE A 14 -31.443 3.448 -15.445 1.00 52.32 C ATOM 210 CE2 PHE A 14 -30.023 5.335 -15.074 1.00 0.31 C ATOM 211 CZ PHE A 14 -30.876 4.624 -15.895 1.00 42.53 C ATOM 0 H PHE A 14 -27.540 1.758 -13.466 1.00 42.34 H new ATOM 0 HA PHE A 14 -28.570 1.966 -10.913 1.00 23.03 H new ATOM 0 HB2 PHE A 14 -30.912 2.806 -11.507 1.00 72.30 H new ATOM 0 HB3 PHE A 14 -29.660 4.021 -11.343 1.00 72.30 H new ATOM 0 HD1 PHE A 14 -31.605 2.067 -13.827 1.00 34.01 H new ATOM 0 HD2 PHE A 14 -29.076 5.430 -13.165 1.00 25.34 H new ATOM 0 HE1 PHE A 14 -32.109 2.889 -16.086 1.00 52.32 H new ATOM 0 HE2 PHE A 14 -29.576 6.254 -15.424 1.00 0.31 H new ATOM 0 HZ PHE A 14 -31.099 4.987 -16.887 1.00 42.53 H new ATOM 221 N GLY A 15 -28.683 -0.144 -12.851 1.00 55.13 N ATOM 222 CA GLY A 15 -29.153 -1.436 -13.315 1.00 70.40 C ATOM 223 C GLY A 15 -28.018 -2.349 -13.735 1.00 40.13 C ATOM 224 O GLY A 15 -28.126 -3.070 -14.726 1.00 72.02 O ATOM 0 H GLY A 15 -27.674 -0.009 -12.909 1.00 55.13 H new ATOM 0 HA2 GLY A 15 -29.727 -1.916 -12.523 1.00 70.40 H new ATOM 0 HA3 GLY A 15 -29.830 -1.292 -14.157 1.00 70.40 H new ATOM 228 N GLY A 16 -26.924 -2.317 -12.980 1.00 41.22 N ATOM 229 CA GLY A 16 -25.779 -3.150 -13.297 1.00 71.41 C ATOM 230 C GLY A 16 -24.850 -3.334 -12.113 1.00 52.14 C ATOM 231 O GLY A 16 -24.967 -2.633 -11.108 1.00 43.31 O ATOM 0 H GLY A 16 -26.810 -1.729 -12.154 1.00 41.22 H new ATOM 0 HA2 GLY A 16 -26.126 -4.126 -13.637 1.00 71.41 H new ATOM 0 HA3 GLY A 16 -25.226 -2.703 -14.123 1.00 71.41 H new ATOM 235 N LYS A 17 -23.925 -4.281 -12.230 1.00 53.34 N ATOM 236 CA LYS A 17 -22.972 -4.556 -11.162 1.00 40.10 C ATOM 237 C LYS A 17 -21.726 -3.688 -11.308 1.00 30.14 C ATOM 238 O LYS A 17 -21.293 -3.389 -12.420 1.00 62.34 O ATOM 239 CB LYS A 17 -22.580 -6.035 -11.169 1.00 62.11 C ATOM 240 CG LYS A 17 -21.620 -6.405 -12.287 1.00 12.31 C ATOM 241 CD LYS A 17 -20.217 -6.653 -11.758 1.00 54.24 C ATOM 242 CE LYS A 17 -20.147 -7.937 -10.946 1.00 43.13 C ATOM 243 NZ LYS A 17 -19.307 -7.776 -9.727 1.00 33.52 N ATOM 0 H LYS A 17 -23.815 -4.871 -13.055 1.00 53.34 H new ATOM 0 HA LYS A 17 -23.450 -4.318 -10.212 1.00 40.10 H new ATOM 0 HB2 LYS A 17 -22.123 -6.286 -10.212 1.00 62.11 H new ATOM 0 HB3 LYS A 17 -23.482 -6.641 -11.260 1.00 62.11 H new ATOM 0 HG2 LYS A 17 -21.981 -7.298 -12.797 1.00 12.31 H new ATOM 0 HG3 LYS A 17 -21.595 -5.604 -13.026 1.00 12.31 H new ATOM 0 HD2 LYS A 17 -19.517 -6.710 -12.592 1.00 54.24 H new ATOM 0 HD3 LYS A 17 -19.907 -5.812 -11.138 1.00 54.24 H new ATOM 0 HE2 LYS A 17 -21.153 -8.239 -10.656 1.00 43.13 H new ATOM 0 HE3 LYS A 17 -19.740 -8.737 -11.565 1.00 43.13 H new ATOM 0 HZ1 LYS A 17 -19.419 -8.610 -9.116 1.00 33.52 H new ATOM 0 HZ2 LYS A 17 -18.309 -7.680 -10.003 1.00 33.52 H new ATOM 0 HZ3 LYS A 17 -19.606 -6.925 -9.209 1.00 33.52 H new ATOM 257 N SER A 18 -21.154 -3.288 -10.177 1.00 3.23 N ATOM 258 CA SER A 18 -19.959 -2.452 -10.179 1.00 25.31 C ATOM 259 C SER A 18 -18.697 -3.310 -10.188 1.00 5.41 C ATOM 260 O SER A 18 -18.696 -4.439 -9.698 1.00 3.03 O ATOM 261 CB SER A 18 -19.953 -1.530 -8.959 1.00 13.35 C ATOM 262 OG SER A 18 -19.903 -2.276 -7.755 1.00 73.20 O ATOM 0 H SER A 18 -21.499 -3.529 -9.248 1.00 3.23 H new ATOM 0 HA SER A 18 -19.972 -1.845 -11.084 1.00 25.31 H new ATOM 0 HB2 SER A 18 -19.095 -0.859 -9.011 1.00 13.35 H new ATOM 0 HB3 SER A 18 -20.847 -0.906 -8.967 1.00 13.35 H new ATOM 0 HG SER A 18 -19.898 -1.663 -6.990 1.00 73.20 H new ATOM 268 N PHE A 19 -17.622 -2.764 -10.749 1.00 75.33 N ATOM 269 CA PHE A 19 -16.353 -3.478 -10.824 1.00 31.20 C ATOM 270 C PHE A 19 -15.203 -2.593 -10.353 1.00 21.22 C ATOM 271 O PHE A 19 -14.704 -1.754 -11.103 1.00 24.13 O ATOM 272 CB PHE A 19 -16.094 -3.952 -12.256 1.00 3.05 C ATOM 273 CG PHE A 19 -15.827 -5.426 -12.360 1.00 22.41 C ATOM 274 CD1 PHE A 19 -16.697 -6.343 -11.792 1.00 70.24 C ATOM 275 CD2 PHE A 19 -14.706 -5.896 -13.026 1.00 11.40 C ATOM 276 CE1 PHE A 19 -16.453 -7.700 -11.886 1.00 73.34 C ATOM 277 CE2 PHE A 19 -14.457 -7.252 -13.124 1.00 14.24 C ATOM 278 CZ PHE A 19 -15.333 -8.155 -12.554 1.00 22.22 C ATOM 0 H PHE A 19 -17.605 -1.830 -11.158 1.00 75.33 H new ATOM 0 HA PHE A 19 -16.413 -4.346 -10.167 1.00 31.20 H new ATOM 0 HB2 PHE A 19 -16.956 -3.702 -12.874 1.00 3.05 H new ATOM 0 HB3 PHE A 19 -15.242 -3.407 -12.662 1.00 3.05 H new ATOM 0 HD1 PHE A 19 -17.575 -5.993 -11.270 1.00 70.24 H new ATOM 0 HD2 PHE A 19 -14.018 -5.194 -13.474 1.00 11.40 H new ATOM 0 HE1 PHE A 19 -17.138 -8.404 -11.437 1.00 73.34 H new ATOM 0 HE2 PHE A 19 -13.579 -7.605 -13.645 1.00 14.24 H new ATOM 0 HZ PHE A 19 -15.142 -9.215 -12.631 1.00 22.22 H new ATOM 288 N ASP A 20 -14.788 -2.787 -9.106 1.00 12.33 N ATOM 289 CA ASP A 20 -13.697 -2.007 -8.533 1.00 63.32 C ATOM 290 C ASP A 20 -12.475 -2.886 -8.282 1.00 40.33 C ATOM 291 O ASP A 20 -12.487 -3.745 -7.402 1.00 24.23 O ATOM 292 CB ASP A 20 -14.143 -1.348 -7.227 1.00 42.44 C ATOM 293 CG ASP A 20 -15.021 -2.257 -6.390 1.00 4.31 C ATOM 294 OD1 ASP A 20 -16.256 -2.219 -6.569 1.00 71.35 O ATOM 295 OD2 ASP A 20 -14.472 -3.006 -5.555 1.00 70.35 O ATOM 0 H ASP A 20 -15.191 -3.478 -8.473 1.00 12.33 H new ATOM 0 HA ASP A 20 -13.424 -1.230 -9.248 1.00 63.32 H new ATOM 0 HB2 ASP A 20 -13.264 -1.063 -6.649 1.00 42.44 H new ATOM 0 HB3 ASP A 20 -14.686 -0.431 -7.453 1.00 42.44 H new ATOM 300 N ALA A 21 -11.423 -2.664 -9.063 1.00 63.12 N ATOM 301 CA ALA A 21 -10.193 -3.435 -8.925 1.00 51.41 C ATOM 302 C ALA A 21 -9.039 -2.763 -9.661 1.00 61.14 C ATOM 303 O ALA A 21 -9.248 -1.870 -10.483 1.00 1.53 O ATOM 304 CB ALA A 21 -10.397 -4.851 -9.440 1.00 74.54 C ATOM 0 H ALA A 21 -11.398 -1.957 -9.798 1.00 63.12 H new ATOM 0 HA ALA A 21 -9.938 -3.479 -7.866 1.00 51.41 H new ATOM 0 HB1 ALA A 21 -9.471 -5.415 -9.331 1.00 74.54 H new ATOM 0 HB2 ALA A 21 -11.187 -5.336 -8.867 1.00 74.54 H new ATOM 0 HB3 ALA A 21 -10.680 -4.818 -10.492 1.00 74.54 H new ATOM 310 N THR A 22 -7.819 -3.198 -9.362 1.00 22.20 N ATOM 311 CA THR A 22 -6.631 -2.638 -9.994 1.00 10.01 C ATOM 312 C THR A 22 -6.254 -3.420 -11.247 1.00 22.54 C ATOM 313 O THR A 22 -6.965 -4.339 -11.654 1.00 23.34 O ATOM 314 CB THR A 22 -5.432 -2.629 -9.027 1.00 43.04 C ATOM 315 OG1 THR A 22 -5.030 -3.971 -8.732 1.00 74.51 O ATOM 316 CG2 THR A 22 -5.782 -1.904 -7.737 1.00 11.40 C ATOM 0 H THR A 22 -7.628 -3.937 -8.685 1.00 22.20 H new ATOM 0 HA THR A 22 -6.873 -1.612 -10.270 1.00 10.01 H new ATOM 0 HB THR A 22 -4.609 -2.102 -9.509 1.00 43.04 H new ATOM 0 HG1 THR A 22 -4.266 -3.956 -8.118 1.00 74.51 H new ATOM 0 HG21 THR A 22 -4.920 -1.911 -7.070 1.00 11.40 H new ATOM 0 HG22 THR A 22 -6.059 -0.874 -7.962 1.00 11.40 H new ATOM 0 HG23 THR A 22 -6.619 -2.407 -7.253 1.00 11.40 H new ATOM 324 N SER A 23 -5.131 -3.051 -11.854 1.00 25.03 N ATOM 325 CA SER A 23 -4.660 -3.717 -13.063 1.00 34.03 C ATOM 326 C SER A 23 -4.182 -5.132 -12.752 1.00 73.34 C ATOM 327 O SER A 23 -3.122 -5.325 -12.157 1.00 12.44 O ATOM 328 CB SER A 23 -3.528 -2.914 -13.706 1.00 12.45 C ATOM 329 OG SER A 23 -3.597 -2.977 -15.120 1.00 12.55 O ATOM 0 H SER A 23 -4.530 -2.294 -11.528 1.00 25.03 H new ATOM 0 HA SER A 23 -5.494 -3.779 -13.762 1.00 34.03 H new ATOM 0 HB2 SER A 23 -3.586 -1.875 -13.382 1.00 12.45 H new ATOM 0 HB3 SER A 23 -2.566 -3.300 -13.368 1.00 12.45 H new ATOM 0 HG SER A 23 -3.634 -2.069 -15.486 1.00 12.55 H new ATOM 335 N ASP A 24 -4.972 -6.119 -13.161 1.00 31.34 N ATOM 336 CA ASP A 24 -4.630 -7.518 -12.928 1.00 15.21 C ATOM 337 C ASP A 24 -5.684 -8.442 -13.531 1.00 64.12 C ATOM 338 O ASP A 24 -5.364 -9.523 -14.026 1.00 2.51 O ATOM 339 CB ASP A 24 -4.494 -7.789 -11.429 1.00 34.21 C ATOM 340 CG ASP A 24 -3.138 -8.360 -11.065 1.00 1.34 C ATOM 341 OD1 ASP A 24 -2.820 -9.476 -11.525 1.00 73.42 O ATOM 342 OD2 ASP A 24 -2.393 -7.689 -10.320 1.00 34.14 O ATOM 0 H ASP A 24 -5.853 -5.977 -13.655 1.00 31.34 H new ATOM 0 HA ASP A 24 -3.675 -7.719 -13.414 1.00 15.21 H new ATOM 0 HB2 ASP A 24 -4.654 -6.862 -10.879 1.00 34.21 H new ATOM 0 HB3 ASP A 24 -5.273 -8.484 -11.116 1.00 34.21 H new ATOM 347 N GLN A 25 -6.940 -8.010 -13.485 1.00 5.50 N ATOM 348 CA GLN A 25 -8.039 -8.800 -14.026 1.00 14.45 C ATOM 349 C GLN A 25 -8.121 -8.654 -15.541 1.00 42.25 C ATOM 350 O GLN A 25 -7.558 -7.731 -16.132 1.00 34.31 O ATOM 351 CB GLN A 25 -9.363 -8.373 -13.388 1.00 40.15 C ATOM 352 CG GLN A 25 -9.932 -9.399 -12.422 1.00 70.54 C ATOM 353 CD GLN A 25 -9.495 -9.159 -10.991 1.00 2.11 C ATOM 354 OE1 GLN A 25 -8.802 -8.184 -10.697 1.00 21.43 O ATOM 355 NE2 GLN A 25 -9.898 -10.048 -10.091 1.00 74.10 N ATOM 0 H GLN A 25 -7.222 -7.118 -13.079 1.00 5.50 H new ATOM 0 HA GLN A 25 -7.851 -9.847 -13.791 1.00 14.45 H new ATOM 0 HB2 GLN A 25 -9.215 -7.432 -12.859 1.00 40.15 H new ATOM 0 HB3 GLN A 25 -10.092 -8.185 -14.176 1.00 40.15 H new ATOM 0 HG2 GLN A 25 -11.021 -9.377 -12.474 1.00 70.54 H new ATOM 0 HG3 GLN A 25 -9.619 -10.396 -12.731 1.00 70.54 H new ATOM 0 HE21 GLN A 25 -10.471 -10.841 -10.379 1.00 74.10 H new ATOM 0 HE22 GLN A 25 -9.634 -9.938 -9.112 1.00 74.10 H new ATOM 364 N PRO A 26 -8.837 -9.585 -16.188 1.00 61.35 N ATOM 365 CA PRO A 26 -9.009 -9.582 -17.644 1.00 41.22 C ATOM 366 C PRO A 26 -10.085 -8.601 -18.099 1.00 24.25 C ATOM 367 O PRO A 26 -11.011 -8.971 -18.818 1.00 53.13 O ATOM 368 CB PRO A 26 -9.431 -11.020 -17.955 1.00 63.00 C ATOM 369 CG PRO A 26 -10.109 -11.492 -16.716 1.00 15.13 C ATOM 370 CD PRO A 26 -9.534 -10.713 -15.549 1.00 33.35 C ATOM 0 HA PRO A 26 -8.102 -9.268 -18.160 1.00 41.22 H new ATOM 0 HB2 PRO A 26 -10.102 -11.059 -18.813 1.00 63.00 H new ATOM 0 HB3 PRO A 26 -8.569 -11.642 -18.196 1.00 63.00 H new ATOM 0 HG2 PRO A 26 -11.185 -11.336 -16.786 1.00 15.13 H new ATOM 0 HG3 PRO A 26 -9.950 -12.561 -16.577 1.00 15.13 H new ATOM 0 HD2 PRO A 26 -10.317 -10.368 -14.874 1.00 33.35 H new ATOM 0 HD3 PRO A 26 -8.850 -11.323 -14.959 1.00 33.35 H new ATOM 378 N GLY A 27 -9.955 -7.348 -17.673 1.00 63.12 N ATOM 379 CA GLY A 27 -10.923 -6.334 -18.047 1.00 1.31 C ATOM 380 C GLY A 27 -12.349 -6.759 -17.759 1.00 21.23 C ATOM 381 O GLY A 27 -12.631 -7.338 -16.710 1.00 12.31 O ATOM 0 H GLY A 27 -9.197 -7.018 -17.076 1.00 63.12 H new ATOM 0 HA2 GLY A 27 -10.706 -5.412 -17.507 1.00 1.31 H new ATOM 0 HA3 GLY A 27 -10.821 -6.113 -19.109 1.00 1.31 H new ATOM 385 N ALA A 28 -13.251 -6.471 -18.691 1.00 42.24 N ATOM 386 CA ALA A 28 -14.655 -6.828 -18.532 1.00 50.24 C ATOM 387 C ALA A 28 -14.975 -8.132 -19.255 1.00 52.11 C ATOM 388 O ALA A 28 -14.278 -8.522 -20.191 1.00 11.31 O ATOM 389 CB ALA A 28 -15.546 -5.706 -19.045 1.00 10.24 C ATOM 0 H ALA A 28 -13.034 -5.991 -19.565 1.00 42.24 H new ATOM 0 HA ALA A 28 -14.849 -6.975 -17.469 1.00 50.24 H new ATOM 0 HB1 ALA A 28 -16.592 -5.986 -18.920 1.00 10.24 H new ATOM 0 HB2 ALA A 28 -15.345 -4.795 -18.482 1.00 10.24 H new ATOM 0 HB3 ALA A 28 -15.341 -5.532 -20.101 1.00 10.24 H new ATOM 395 N GLY A 29 -16.035 -8.803 -18.814 1.00 24.34 N ATOM 396 CA GLY A 29 -16.428 -10.057 -19.430 1.00 24.24 C ATOM 397 C GLY A 29 -17.870 -10.419 -19.138 1.00 34.20 C ATOM 398 O GLY A 29 -18.198 -10.848 -18.032 1.00 34.05 O ATOM 0 H GLY A 29 -16.628 -8.501 -18.041 1.00 24.34 H new ATOM 0 HA2 GLY A 29 -16.285 -9.989 -20.508 1.00 24.24 H new ATOM 0 HA3 GLY A 29 -15.777 -10.854 -19.072 1.00 24.24 H new ATOM 402 N ASP A 30 -18.735 -10.245 -20.132 1.00 23.14 N ATOM 403 CA ASP A 30 -20.151 -10.556 -19.976 1.00 40.04 C ATOM 404 C ASP A 30 -20.829 -10.694 -21.336 1.00 31.52 C ATOM 405 O ASP A 30 -20.588 -9.901 -22.244 1.00 63.14 O ATOM 406 CB ASP A 30 -20.846 -9.470 -19.154 1.00 13.10 C ATOM 407 CG ASP A 30 -20.723 -9.706 -17.662 1.00 35.15 C ATOM 408 OD1 ASP A 30 -21.261 -10.723 -17.176 1.00 61.20 O ATOM 409 OD2 ASP A 30 -20.091 -8.873 -16.979 1.00 24.43 O ATOM 0 H ASP A 30 -18.480 -9.890 -21.054 1.00 23.14 H new ATOM 0 HA ASP A 30 -20.234 -11.507 -19.450 1.00 40.04 H new ATOM 0 HB2 ASP A 30 -20.416 -8.500 -19.402 1.00 13.10 H new ATOM 0 HB3 ASP A 30 -21.901 -9.431 -19.427 1.00 13.10 H new ATOM 414 N ASN A 31 -21.678 -11.709 -21.467 1.00 50.44 N ATOM 415 CA ASN A 31 -22.390 -11.952 -22.717 1.00 30.23 C ATOM 416 C ASN A 31 -23.716 -11.198 -22.743 1.00 43.44 C ATOM 417 O ASN A 31 -24.685 -11.600 -22.098 1.00 41.04 O ATOM 418 CB ASN A 31 -22.639 -13.450 -22.902 1.00 73.41 C ATOM 419 CG ASN A 31 -21.387 -14.198 -23.318 1.00 1.25 C ATOM 420 OD1 ASN A 31 -20.444 -14.333 -22.538 1.00 20.33 O ATOM 421 ND2 ASN A 31 -21.372 -14.687 -24.552 1.00 33.10 N ATOM 0 H ASN A 31 -21.889 -12.375 -20.724 1.00 50.44 H new ATOM 0 HA ASN A 31 -21.770 -11.589 -23.537 1.00 30.23 H new ATOM 0 HB2 ASN A 31 -23.017 -13.870 -21.970 1.00 73.41 H new ATOM 0 HB3 ASN A 31 -23.413 -13.596 -23.655 1.00 73.41 H new ATOM 0 HD21 ASN A 31 -20.556 -15.199 -24.888 1.00 33.10 H new ATOM 0 HD22 ASN A 31 -22.176 -14.551 -25.164 1.00 33.10 H new ATOM 428 N LEU A 32 -23.751 -10.102 -23.494 1.00 33.03 N ATOM 429 CA LEU A 32 -24.958 -9.290 -23.606 1.00 33.41 C ATOM 430 C LEU A 32 -24.780 -8.190 -24.647 1.00 61.10 C ATOM 431 O LEU A 32 -23.772 -8.146 -25.351 1.00 51.11 O ATOM 432 CB LEU A 32 -25.310 -8.674 -22.251 1.00 2.23 C ATOM 433 CG LEU A 32 -24.404 -7.537 -21.775 1.00 60.42 C ATOM 434 CD1 LEU A 32 -25.087 -6.733 -20.680 1.00 51.23 C ATOM 435 CD2 LEU A 32 -23.072 -8.087 -21.284 1.00 54.42 C ATOM 0 H LEU A 32 -22.958 -9.756 -24.034 1.00 33.03 H new ATOM 0 HA LEU A 32 -25.774 -9.938 -23.926 1.00 33.41 H new ATOM 0 HB2 LEU A 32 -26.333 -8.301 -22.299 1.00 2.23 H new ATOM 0 HB3 LEU A 32 -25.293 -9.464 -21.500 1.00 2.23 H new ATOM 0 HG LEU A 32 -24.212 -6.873 -22.618 1.00 60.42 H new ATOM 0 HD11 LEU A 32 -24.427 -5.929 -20.354 1.00 51.23 H new ATOM 0 HD12 LEU A 32 -26.014 -6.308 -21.065 1.00 51.23 H new ATOM 0 HD13 LEU A 32 -25.310 -7.385 -19.835 1.00 51.23 H new ATOM 0 HD21 LEU A 32 -22.440 -7.265 -20.949 1.00 54.42 H new ATOM 0 HD22 LEU A 32 -23.245 -8.773 -20.454 1.00 54.42 H new ATOM 0 HD23 LEU A 32 -22.576 -8.618 -22.096 1.00 54.42 H new ATOM 447 N ASN A 33 -25.765 -7.302 -24.737 1.00 22.21 N ATOM 448 CA ASN A 33 -25.716 -6.200 -25.691 1.00 63.20 C ATOM 449 C ASN A 33 -24.992 -4.997 -25.095 1.00 50.51 C ATOM 450 O ASN A 33 -25.066 -4.748 -23.892 1.00 13.04 O ATOM 451 CB ASN A 33 -27.131 -5.801 -26.114 1.00 1.33 C ATOM 452 CG ASN A 33 -27.505 -6.353 -27.476 1.00 11.04 C ATOM 453 OD1 ASN A 33 -27.898 -7.513 -27.601 1.00 13.13 O ATOM 454 ND2 ASN A 33 -27.384 -5.522 -28.504 1.00 62.24 N ATOM 0 H ASN A 33 -26.607 -7.324 -24.161 1.00 22.21 H new ATOM 0 HA ASN A 33 -25.163 -6.536 -26.569 1.00 63.20 H new ATOM 0 HB2 ASN A 33 -27.844 -6.160 -25.372 1.00 1.33 H new ATOM 0 HB3 ASN A 33 -27.209 -4.714 -26.132 1.00 1.33 H new ATOM 0 HD21 ASN A 33 -27.621 -5.837 -29.445 1.00 62.24 H new ATOM 0 HD22 ASN A 33 -27.054 -4.569 -28.353 1.00 62.24 H new ATOM 461 N ASP A 34 -24.293 -4.253 -25.946 1.00 13.24 N ATOM 462 CA ASP A 34 -23.557 -3.074 -25.504 1.00 53.21 C ATOM 463 C ASP A 34 -24.511 -1.930 -25.173 1.00 32.45 C ATOM 464 O ASP A 34 -24.636 -0.971 -25.934 1.00 11.21 O ATOM 465 CB ASP A 34 -22.567 -2.632 -26.582 1.00 45.41 C ATOM 466 CG ASP A 34 -21.217 -3.307 -26.440 1.00 4.33 C ATOM 467 OD1 ASP A 34 -20.766 -3.495 -25.291 1.00 10.25 O ATOM 468 OD2 ASP A 34 -20.610 -3.646 -27.478 1.00 32.44 O ATOM 0 H ASP A 34 -24.221 -4.445 -26.945 1.00 13.24 H new ATOM 0 HA ASP A 34 -23.006 -3.337 -24.601 1.00 53.21 H new ATOM 0 HB2 ASP A 34 -22.981 -2.857 -27.565 1.00 45.41 H new ATOM 0 HB3 ASP A 34 -22.437 -1.551 -26.530 1.00 45.41 H new ATOM 473 N LYS A 35 -25.183 -2.040 -24.032 1.00 15.53 N ATOM 474 CA LYS A 35 -26.127 -1.016 -23.598 1.00 5.42 C ATOM 475 C LYS A 35 -25.407 0.109 -22.860 1.00 32.12 C ATOM 476 O LYS A 35 -24.192 0.059 -22.666 1.00 32.21 O ATOM 477 CB LYS A 35 -27.198 -1.630 -22.694 1.00 3.12 C ATOM 478 CG LYS A 35 -28.599 -1.559 -23.276 1.00 63.02 C ATOM 479 CD LYS A 35 -28.666 -2.208 -24.648 1.00 62.53 C ATOM 480 CE LYS A 35 -28.834 -1.171 -25.748 1.00 72.51 C ATOM 481 NZ LYS A 35 -30.267 -0.847 -25.990 1.00 14.14 N ATOM 0 H LYS A 35 -25.092 -2.828 -23.391 1.00 15.53 H new ATOM 0 HA LYS A 35 -26.605 -0.599 -24.484 1.00 5.42 H new ATOM 0 HB2 LYS A 35 -26.946 -2.673 -22.503 1.00 3.12 H new ATOM 0 HB3 LYS A 35 -27.187 -1.118 -21.732 1.00 3.12 H new ATOM 0 HG2 LYS A 35 -29.299 -2.055 -22.603 1.00 63.02 H new ATOM 0 HG3 LYS A 35 -28.911 -0.517 -23.350 1.00 63.02 H new ATOM 0 HD2 LYS A 35 -27.757 -2.783 -24.824 1.00 62.53 H new ATOM 0 HD3 LYS A 35 -29.499 -2.911 -24.679 1.00 62.53 H new ATOM 0 HE2 LYS A 35 -28.297 -0.262 -25.476 1.00 72.51 H new ATOM 0 HE3 LYS A 35 -28.385 -1.543 -26.669 1.00 72.51 H new ATOM 0 HZ1 LYS A 35 -30.339 -0.137 -26.746 1.00 14.14 H new ATOM 0 HZ2 LYS A 35 -30.775 -1.709 -26.275 1.00 14.14 H new ATOM 0 HZ3 LYS A 35 -30.689 -0.468 -25.118 1.00 14.14 H new ATOM 495 N ILE A 36 -26.165 1.121 -22.450 1.00 23.54 N ATOM 496 CA ILE A 36 -25.599 2.255 -21.731 1.00 10.34 C ATOM 497 C ILE A 36 -24.712 1.791 -20.581 1.00 22.43 C ATOM 498 O ILE A 36 -25.154 1.052 -19.701 1.00 15.42 O ATOM 499 CB ILE A 36 -26.701 3.175 -21.174 1.00 55.51 C ATOM 500 CG1 ILE A 36 -26.082 4.331 -20.386 1.00 2.05 C ATOM 501 CG2 ILE A 36 -27.660 2.383 -20.298 1.00 13.21 C ATOM 502 CD1 ILE A 36 -26.979 5.545 -20.288 1.00 4.24 C ATOM 0 H ILE A 36 -27.172 1.178 -22.604 1.00 23.54 H new ATOM 0 HA ILE A 36 -24.997 2.814 -22.448 1.00 10.34 H new ATOM 0 HB ILE A 36 -27.263 3.591 -22.010 1.00 55.51 H new ATOM 0 HG12 ILE A 36 -25.840 3.986 -19.381 1.00 2.05 H new ATOM 0 HG13 ILE A 36 -25.143 4.620 -20.858 1.00 2.05 H new ATOM 0 HG21 ILE A 36 -28.433 3.047 -19.912 1.00 13.21 H new ATOM 0 HG22 ILE A 36 -28.123 1.592 -20.888 1.00 13.21 H new ATOM 0 HG23 ILE A 36 -27.112 1.941 -19.466 1.00 13.21 H new ATOM 0 HD11 ILE A 36 -26.475 6.324 -19.716 1.00 4.24 H new ATOM 0 HD12 ILE A 36 -27.201 5.915 -21.289 1.00 4.24 H new ATOM 0 HD13 ILE A 36 -27.908 5.271 -19.788 1.00 4.24 H new ATOM 514 N SER A 37 -23.457 2.230 -20.594 1.00 32.52 N ATOM 515 CA SER A 37 -22.506 1.857 -19.553 1.00 13.11 C ATOM 516 C SER A 37 -21.913 3.097 -18.891 1.00 24.22 C ATOM 517 O SER A 37 -21.885 4.176 -19.481 1.00 42.44 O ATOM 518 CB SER A 37 -21.388 0.993 -20.140 1.00 10.44 C ATOM 519 OG SER A 37 -21.320 -0.264 -19.489 1.00 3.53 O ATOM 0 H SER A 37 -23.075 2.844 -21.314 1.00 32.52 H new ATOM 0 HA SER A 37 -23.039 1.282 -18.796 1.00 13.11 H new ATOM 0 HB2 SER A 37 -21.560 0.845 -21.206 1.00 10.44 H new ATOM 0 HB3 SER A 37 -20.434 1.510 -20.040 1.00 10.44 H new ATOM 0 HG SER A 37 -20.808 -0.175 -18.658 1.00 3.53 H new ATOM 525 N SER A 38 -21.439 2.933 -17.660 1.00 24.22 N ATOM 526 CA SER A 38 -20.849 4.039 -16.914 1.00 64.54 C ATOM 527 C SER A 38 -19.376 3.771 -16.620 1.00 63.42 C ATOM 528 O SER A 38 -19.034 2.804 -15.938 1.00 3.43 O ATOM 529 CB SER A 38 -21.609 4.263 -15.606 1.00 31.40 C ATOM 530 OG SER A 38 -20.727 4.632 -14.560 1.00 70.12 O ATOM 0 H SER A 38 -21.452 2.045 -17.158 1.00 24.22 H new ATOM 0 HA SER A 38 -20.922 4.938 -17.526 1.00 64.54 H new ATOM 0 HB2 SER A 38 -22.358 5.042 -15.746 1.00 31.40 H new ATOM 0 HB3 SER A 38 -22.143 3.353 -15.332 1.00 31.40 H new ATOM 0 HG SER A 38 -21.238 4.771 -13.735 1.00 70.12 H new ATOM 536 N ILE A 39 -18.509 4.633 -17.140 1.00 62.11 N ATOM 537 CA ILE A 39 -17.073 4.491 -16.933 1.00 20.22 C ATOM 538 C ILE A 39 -16.500 5.702 -16.205 1.00 41.23 C ATOM 539 O ILE A 39 -16.519 6.819 -16.724 1.00 72.42 O ATOM 540 CB ILE A 39 -16.327 4.307 -18.268 1.00 1.43 C ATOM 541 CG1 ILE A 39 -16.337 2.835 -18.684 1.00 42.24 C ATOM 542 CG2 ILE A 39 -14.900 4.821 -18.152 1.00 4.14 C ATOM 543 CD1 ILE A 39 -17.727 2.249 -18.798 1.00 65.24 C ATOM 0 H ILE A 39 -18.776 5.437 -17.708 1.00 62.11 H new ATOM 0 HA ILE A 39 -16.929 3.601 -16.321 1.00 20.22 H new ATOM 0 HB ILE A 39 -16.839 4.885 -19.037 1.00 1.43 H new ATOM 0 HG12 ILE A 39 -15.829 2.733 -19.643 1.00 42.24 H new ATOM 0 HG13 ILE A 39 -15.766 2.257 -17.958 1.00 42.24 H new ATOM 0 HG21 ILE A 39 -14.386 4.684 -19.103 1.00 4.14 H new ATOM 0 HG22 ILE A 39 -14.915 5.881 -17.896 1.00 4.14 H new ATOM 0 HG23 ILE A 39 -14.376 4.267 -17.373 1.00 4.14 H new ATOM 0 HD11 ILE A 39 -17.658 1.203 -19.096 1.00 65.24 H new ATOM 0 HD12 ILE A 39 -18.231 2.319 -17.834 1.00 65.24 H new ATOM 0 HD13 ILE A 39 -18.295 2.803 -19.546 1.00 65.24 H new ATOM 555 N LYS A 40 -15.988 5.474 -15.000 1.00 53.45 N ATOM 556 CA LYS A 40 -15.406 6.546 -14.201 1.00 22.30 C ATOM 557 C LYS A 40 -14.086 6.103 -13.577 1.00 50.23 C ATOM 558 O LYS A 40 -14.070 5.426 -12.549 1.00 42.13 O ATOM 559 CB LYS A 40 -16.381 6.979 -13.104 1.00 23.13 C ATOM 560 CG LYS A 40 -15.878 8.143 -12.268 1.00 42.43 C ATOM 561 CD LYS A 40 -15.933 7.829 -10.783 1.00 24.22 C ATOM 562 CE LYS A 40 -14.932 8.663 -9.999 1.00 5.51 C ATOM 563 NZ LYS A 40 -13.874 7.821 -9.376 1.00 64.51 N ATOM 0 H LYS A 40 -15.964 4.556 -14.555 1.00 53.45 H new ATOM 0 HA LYS A 40 -15.211 7.392 -14.860 1.00 22.30 H new ATOM 0 HB2 LYS A 40 -17.331 7.255 -13.562 1.00 23.13 H new ATOM 0 HB3 LYS A 40 -16.578 6.130 -12.449 1.00 23.13 H new ATOM 0 HG2 LYS A 40 -14.853 8.380 -12.553 1.00 42.43 H new ATOM 0 HG3 LYS A 40 -16.479 9.028 -12.476 1.00 42.43 H new ATOM 0 HD2 LYS A 40 -16.939 8.018 -10.407 1.00 24.22 H new ATOM 0 HD3 LYS A 40 -15.728 6.770 -10.626 1.00 24.22 H new ATOM 0 HE2 LYS A 40 -14.470 9.394 -10.663 1.00 5.51 H new ATOM 0 HE3 LYS A 40 -15.455 9.222 -9.223 1.00 5.51 H new ATOM 0 HZ1 LYS A 40 -13.212 8.427 -8.851 1.00 64.51 H new ATOM 0 HZ2 LYS A 40 -14.312 7.140 -8.723 1.00 64.51 H new ATOM 0 HZ3 LYS A 40 -13.358 7.307 -10.118 1.00 64.51 H new ATOM 577 N VAL A 41 -12.980 6.491 -14.205 1.00 54.31 N ATOM 578 CA VAL A 41 -11.656 6.137 -13.710 1.00 63.20 C ATOM 579 C VAL A 41 -10.637 7.222 -14.039 1.00 52.35 C ATOM 580 O VAL A 41 -10.767 7.929 -15.040 1.00 32.35 O ATOM 581 CB VAL A 41 -11.174 4.799 -14.303 1.00 52.43 C ATOM 582 CG1 VAL A 41 -9.860 4.375 -13.666 1.00 30.31 C ATOM 583 CG2 VAL A 41 -12.235 3.724 -14.123 1.00 55.54 C ATOM 0 H VAL A 41 -12.976 7.051 -15.058 1.00 54.31 H new ATOM 0 HA VAL A 41 -11.740 6.038 -12.628 1.00 63.20 H new ATOM 0 HB VAL A 41 -11.005 4.935 -15.371 1.00 52.43 H new ATOM 0 HG11 VAL A 41 -9.535 3.428 -14.097 1.00 30.31 H new ATOM 0 HG12 VAL A 41 -9.103 5.137 -13.852 1.00 30.31 H new ATOM 0 HG13 VAL A 41 -9.998 4.256 -12.591 1.00 30.31 H new ATOM 0 HG21 VAL A 41 -11.878 2.786 -14.548 1.00 55.54 H new ATOM 0 HG22 VAL A 41 -12.438 3.588 -13.061 1.00 55.54 H new ATOM 0 HG23 VAL A 41 -13.150 4.027 -14.632 1.00 55.54 H new ATOM 593 N LYS A 42 -9.622 7.350 -13.192 1.00 0.21 N ATOM 594 CA LYS A 42 -8.578 8.349 -13.392 1.00 73.54 C ATOM 595 C LYS A 42 -7.198 7.750 -13.142 1.00 2.22 C ATOM 596 O LYS A 42 -6.685 7.796 -12.024 1.00 22.13 O ATOM 597 CB LYS A 42 -8.803 9.545 -12.465 1.00 74.10 C ATOM 598 CG LYS A 42 -7.788 10.659 -12.652 1.00 21.21 C ATOM 599 CD LYS A 42 -7.432 11.317 -11.329 1.00 73.13 C ATOM 600 CE LYS A 42 -6.531 10.426 -10.488 1.00 33.00 C ATOM 601 NZ LYS A 42 -5.771 11.207 -9.473 1.00 63.42 N ATOM 0 H LYS A 42 -9.500 6.774 -12.359 1.00 0.21 H new ATOM 0 HA LYS A 42 -8.626 8.687 -14.427 1.00 73.54 H new ATOM 0 HB2 LYS A 42 -9.803 9.944 -12.636 1.00 74.10 H new ATOM 0 HB3 LYS A 42 -8.769 9.204 -11.430 1.00 74.10 H new ATOM 0 HG2 LYS A 42 -6.886 10.257 -13.114 1.00 21.21 H new ATOM 0 HG3 LYS A 42 -8.190 11.407 -13.335 1.00 21.21 H new ATOM 0 HD2 LYS A 42 -6.933 12.267 -11.517 1.00 73.13 H new ATOM 0 HD3 LYS A 42 -8.344 11.540 -10.775 1.00 73.13 H new ATOM 0 HE2 LYS A 42 -7.134 9.669 -9.987 1.00 33.00 H new ATOM 0 HE3 LYS A 42 -5.833 9.898 -11.138 1.00 33.00 H new ATOM 0 HZ1 LYS A 42 -5.169 10.564 -8.920 1.00 63.42 H new ATOM 0 HZ2 LYS A 42 -5.176 11.913 -9.952 1.00 63.42 H new ATOM 0 HZ3 LYS A 42 -6.437 11.690 -8.837 1.00 63.42 H new ATOM 615 N SER A 43 -6.601 7.191 -14.190 1.00 30.04 N ATOM 616 CA SER A 43 -5.281 6.582 -14.082 1.00 65.20 C ATOM 617 C SER A 43 -4.689 6.320 -15.464 1.00 30.33 C ATOM 618 O SER A 43 -5.018 5.329 -16.114 1.00 63.43 O ATOM 619 CB SER A 43 -5.362 5.274 -13.293 1.00 61.51 C ATOM 620 OG SER A 43 -4.433 4.323 -13.784 1.00 61.04 O ATOM 0 H SER A 43 -7.011 7.147 -15.123 1.00 30.04 H new ATOM 0 HA SER A 43 -4.630 7.277 -13.552 1.00 65.20 H new ATOM 0 HB2 SER A 43 -5.165 5.469 -12.239 1.00 61.51 H new ATOM 0 HB3 SER A 43 -6.371 4.868 -13.359 1.00 61.51 H new ATOM 0 HG SER A 43 -4.504 3.497 -13.262 1.00 61.04 H new ATOM 626 N GLY A 44 -3.813 7.217 -15.906 1.00 12.23 N ATOM 627 CA GLY A 44 -3.189 7.066 -17.207 1.00 52.32 C ATOM 628 C GLY A 44 -4.204 6.921 -18.323 1.00 72.35 C ATOM 629 O GLY A 44 -5.199 7.646 -18.368 1.00 64.11 O ATOM 0 H GLY A 44 -3.524 8.046 -15.386 1.00 12.23 H new ATOM 0 HA2 GLY A 44 -2.556 7.931 -17.406 1.00 52.32 H new ATOM 0 HA3 GLY A 44 -2.539 6.191 -17.195 1.00 52.32 H new ATOM 633 N THR A 45 -3.954 5.981 -19.230 1.00 41.12 N ATOM 634 CA THR A 45 -4.852 5.745 -20.354 1.00 23.54 C ATOM 635 C THR A 45 -5.278 4.282 -20.418 1.00 53.50 C ATOM 636 O THR A 45 -4.544 3.393 -19.988 1.00 72.45 O ATOM 637 CB THR A 45 -4.194 6.135 -21.691 1.00 22.15 C ATOM 638 OG1 THR A 45 -3.153 5.206 -22.014 1.00 73.12 O ATOM 639 CG2 THR A 45 -3.620 7.542 -21.621 1.00 14.21 C ATOM 0 H THR A 45 -3.137 5.371 -19.208 1.00 41.12 H new ATOM 0 HA THR A 45 -5.730 6.371 -20.194 1.00 23.54 H new ATOM 0 HB THR A 45 -4.958 6.109 -22.468 1.00 22.15 H new ATOM 0 HG1 THR A 45 -2.741 5.460 -22.866 1.00 73.12 H new ATOM 0 HG21 THR A 45 -3.161 7.795 -22.576 1.00 14.21 H new ATOM 0 HG22 THR A 45 -4.419 8.251 -21.403 1.00 14.21 H new ATOM 0 HG23 THR A 45 -2.868 7.590 -20.833 1.00 14.21 H new ATOM 647 N TRP A 46 -6.468 4.042 -20.957 1.00 62.42 N ATOM 648 CA TRP A 46 -6.991 2.686 -21.078 1.00 75.33 C ATOM 649 C TRP A 46 -7.562 2.445 -22.472 1.00 23.24 C ATOM 650 O TRP A 46 -8.215 3.317 -23.044 1.00 41.23 O ATOM 651 CB TRP A 46 -8.070 2.437 -20.022 1.00 41.44 C ATOM 652 CG TRP A 46 -8.070 3.456 -18.923 1.00 20.55 C ATOM 653 CD1 TRP A 46 -7.086 3.664 -17.999 1.00 0.13 C ATOM 654 CD2 TRP A 46 -9.104 4.402 -18.631 1.00 20.11 C ATOM 655 NE1 TRP A 46 -7.446 4.683 -17.150 1.00 51.23 N ATOM 656 CE2 TRP A 46 -8.679 5.153 -17.517 1.00 53.05 C ATOM 657 CE3 TRP A 46 -10.346 4.689 -19.203 1.00 11.30 C ATOM 658 CZ2 TRP A 46 -9.454 6.170 -16.967 1.00 12.32 C ATOM 659 CZ3 TRP A 46 -11.114 5.699 -18.655 1.00 71.01 C ATOM 660 CH2 TRP A 46 -10.666 6.430 -17.547 1.00 10.21 C ATOM 0 H TRP A 46 -7.088 4.768 -21.317 1.00 62.42 H new ATOM 0 HA TRP A 46 -6.168 1.990 -20.917 1.00 75.33 H new ATOM 0 HB2 TRP A 46 -9.047 2.434 -20.505 1.00 41.44 H new ATOM 0 HB3 TRP A 46 -7.924 1.447 -19.590 1.00 41.44 H new ATOM 0 HD1 TRP A 46 -6.161 3.109 -17.944 1.00 0.13 H new ATOM 0 HE1 TRP A 46 -6.886 5.033 -16.373 1.00 51.23 H new ATOM 0 HE3 TRP A 46 -10.700 4.132 -20.058 1.00 11.30 H new ATOM 0 HZ2 TRP A 46 -9.111 6.734 -16.112 1.00 12.32 H new ATOM 0 HZ3 TRP A 46 -12.076 5.929 -19.088 1.00 71.01 H new ATOM 0 HH2 TRP A 46 -11.289 7.214 -17.143 1.00 10.21 H new ATOM 671 N ARG A 47 -7.311 1.257 -23.012 1.00 20.44 N ATOM 672 CA ARG A 47 -7.799 0.902 -24.339 1.00 12.21 C ATOM 673 C ARG A 47 -9.100 0.111 -24.246 1.00 75.31 C ATOM 674 O ARG A 47 -9.109 -1.042 -23.814 1.00 64.35 O ATOM 675 CB ARG A 47 -6.746 0.087 -25.092 1.00 35.10 C ATOM 676 CG ARG A 47 -5.509 0.887 -25.465 1.00 70.32 C ATOM 677 CD ARG A 47 -4.302 0.461 -24.644 1.00 10.21 C ATOM 678 NE ARG A 47 -3.044 0.839 -25.283 1.00 74.32 N ATOM 679 CZ ARG A 47 -2.520 0.188 -26.316 1.00 32.54 C ATOM 680 NH1 ARG A 47 -3.142 -0.868 -26.823 1.00 12.21 N ATOM 681 NH2 ARG A 47 -1.372 0.592 -26.843 1.00 3.01 N ATOM 0 H ARG A 47 -6.772 0.524 -22.551 1.00 20.44 H new ATOM 0 HA ARG A 47 -7.993 1.825 -24.886 1.00 12.21 H new ATOM 0 HB2 ARG A 47 -6.448 -0.762 -24.477 1.00 35.10 H new ATOM 0 HB3 ARG A 47 -7.193 -0.319 -25.999 1.00 35.10 H new ATOM 0 HG2 ARG A 47 -5.294 0.754 -26.525 1.00 70.32 H new ATOM 0 HG3 ARG A 47 -5.700 1.949 -25.309 1.00 70.32 H new ATOM 0 HD2 ARG A 47 -4.357 0.916 -23.655 1.00 10.21 H new ATOM 0 HD3 ARG A 47 -4.325 -0.619 -24.499 1.00 10.21 H new ATOM 0 HE ARG A 47 -2.540 1.647 -24.916 1.00 74.32 H new ATOM 0 HH11 ARG A 47 -4.025 -1.182 -26.420 1.00 12.21 H new ATOM 0 HH12 ARG A 47 -2.738 -1.366 -27.616 1.00 12.21 H new ATOM 0 HH21 ARG A 47 -0.890 1.403 -26.455 1.00 3.01 H new ATOM 0 HH22 ARG A 47 -0.971 0.091 -27.636 1.00 3.01 H new ATOM 695 N PHE A 48 -10.199 0.738 -24.653 1.00 61.05 N ATOM 696 CA PHE A 48 -11.506 0.093 -24.615 1.00 53.20 C ATOM 697 C PHE A 48 -11.873 -0.475 -25.983 1.00 22.42 C ATOM 698 O PHE A 48 -11.702 0.185 -27.008 1.00 15.23 O ATOM 699 CB PHE A 48 -12.576 1.088 -24.161 1.00 11.34 C ATOM 700 CG PHE A 48 -12.845 1.047 -22.683 1.00 62.54 C ATOM 701 CD1 PHE A 48 -13.739 0.130 -22.154 1.00 61.33 C ATOM 702 CD2 PHE A 48 -12.203 1.924 -21.824 1.00 31.40 C ATOM 703 CE1 PHE A 48 -13.989 0.090 -20.796 1.00 25.25 C ATOM 704 CE2 PHE A 48 -12.448 1.888 -20.464 1.00 54.01 C ATOM 705 CZ PHE A 48 -13.342 0.969 -19.949 1.00 44.13 C ATOM 0 H PHE A 48 -10.210 1.692 -25.013 1.00 61.05 H new ATOM 0 HA PHE A 48 -11.457 -0.729 -23.901 1.00 53.20 H new ATOM 0 HB2 PHE A 48 -12.265 2.095 -24.438 1.00 11.34 H new ATOM 0 HB3 PHE A 48 -13.503 0.882 -24.697 1.00 11.34 H new ATOM 0 HD1 PHE A 48 -14.246 -0.561 -22.811 1.00 61.33 H new ATOM 0 HD2 PHE A 48 -11.503 2.644 -22.221 1.00 31.40 H new ATOM 0 HE1 PHE A 48 -14.690 -0.628 -20.397 1.00 25.25 H new ATOM 0 HE2 PHE A 48 -11.941 2.577 -19.805 1.00 54.01 H new ATOM 0 HZ PHE A 48 -13.535 0.938 -18.887 1.00 44.13 H new ATOM 715 N TYR A 49 -12.376 -1.705 -25.990 1.00 11.40 N ATOM 716 CA TYR A 49 -12.764 -2.364 -27.231 1.00 30.40 C ATOM 717 C TYR A 49 -13.729 -3.514 -26.958 1.00 71.02 C ATOM 718 O TYR A 49 -13.441 -4.404 -26.159 1.00 3.24 O ATOM 719 CB TYR A 49 -11.527 -2.885 -27.964 1.00 60.45 C ATOM 720 CG TYR A 49 -10.476 -3.463 -27.044 1.00 21.40 C ATOM 721 CD1 TYR A 49 -10.591 -4.758 -26.552 1.00 13.20 C ATOM 722 CD2 TYR A 49 -9.368 -2.715 -26.665 1.00 71.24 C ATOM 723 CE1 TYR A 49 -9.634 -5.290 -25.710 1.00 41.01 C ATOM 724 CE2 TYR A 49 -8.405 -3.240 -25.825 1.00 51.33 C ATOM 725 CZ TYR A 49 -8.543 -4.527 -25.350 1.00 64.21 C ATOM 726 OH TYR A 49 -7.586 -5.053 -24.512 1.00 12.21 O ATOM 0 H TYR A 49 -12.524 -2.265 -25.151 1.00 11.40 H new ATOM 0 HA TYR A 49 -13.269 -1.631 -27.860 1.00 30.40 H new ATOM 0 HB2 TYR A 49 -11.833 -3.650 -28.678 1.00 60.45 H new ATOM 0 HB3 TYR A 49 -11.086 -2.071 -28.539 1.00 60.45 H new ATOM 0 HD1 TYR A 49 -11.443 -5.359 -26.833 1.00 13.20 H new ATOM 0 HD2 TYR A 49 -9.258 -1.706 -27.033 1.00 71.24 H new ATOM 0 HE1 TYR A 49 -9.739 -6.298 -25.336 1.00 41.01 H new ATOM 0 HE2 TYR A 49 -7.549 -2.646 -25.542 1.00 51.33 H new ATOM 0 HH TYR A 49 -6.884 -4.387 -24.358 1.00 12.21 H new ATOM 736 N GLU A 50 -14.876 -3.487 -27.630 1.00 30.41 N ATOM 737 CA GLU A 50 -15.884 -4.527 -27.460 1.00 53.00 C ATOM 738 C GLU A 50 -15.681 -5.653 -28.470 1.00 43.41 C ATOM 739 O GLU A 50 -16.506 -5.860 -29.360 1.00 51.40 O ATOM 740 CB GLU A 50 -17.288 -3.937 -27.613 1.00 61.13 C ATOM 741 CG GLU A 50 -17.915 -3.508 -26.297 1.00 43.04 C ATOM 742 CD GLU A 50 -18.473 -2.099 -26.349 1.00 72.13 C ATOM 743 OE1 GLU A 50 -18.915 -1.677 -27.438 1.00 53.33 O ATOM 744 OE2 GLU A 50 -18.468 -1.419 -25.302 1.00 30.30 O ATOM 0 H GLU A 50 -15.130 -2.757 -28.296 1.00 30.41 H new ATOM 0 HA GLU A 50 -15.778 -4.939 -26.457 1.00 53.00 H new ATOM 0 HB2 GLU A 50 -17.241 -3.077 -28.281 1.00 61.13 H new ATOM 0 HB3 GLU A 50 -17.933 -4.675 -28.090 1.00 61.13 H new ATOM 0 HG2 GLU A 50 -18.714 -4.202 -26.036 1.00 43.04 H new ATOM 0 HG3 GLU A 50 -17.168 -3.570 -25.506 1.00 43.04 H new ATOM 751 N TYR A 51 -14.576 -6.376 -28.326 1.00 31.13 N ATOM 752 CA TYR A 51 -14.262 -7.479 -29.226 1.00 45.34 C ATOM 753 C TYR A 51 -12.943 -8.140 -28.838 1.00 22.21 C ATOM 754 O TYR A 51 -12.325 -7.777 -27.836 1.00 72.52 O ATOM 755 CB TYR A 51 -14.189 -6.980 -30.671 1.00 22.23 C ATOM 756 CG TYR A 51 -15.274 -7.543 -31.561 1.00 25.20 C ATOM 757 CD1 TYR A 51 -15.511 -8.911 -31.620 1.00 41.23 C ATOM 758 CD2 TYR A 51 -16.062 -6.707 -32.342 1.00 62.02 C ATOM 759 CE1 TYR A 51 -16.500 -9.429 -32.433 1.00 33.41 C ATOM 760 CE2 TYR A 51 -17.054 -7.217 -33.157 1.00 15.34 C ATOM 761 CZ TYR A 51 -17.270 -8.579 -33.199 1.00 5.51 C ATOM 762 OH TYR A 51 -18.257 -9.091 -34.009 1.00 31.15 O ATOM 0 H TYR A 51 -13.883 -6.218 -27.595 1.00 31.13 H new ATOM 0 HA TYR A 51 -15.057 -8.220 -29.143 1.00 45.34 H new ATOM 0 HB2 TYR A 51 -14.256 -5.892 -30.675 1.00 22.23 H new ATOM 0 HB3 TYR A 51 -13.216 -7.241 -31.088 1.00 22.23 H new ATOM 0 HD1 TYR A 51 -14.912 -9.580 -31.020 1.00 41.23 H new ATOM 0 HD2 TYR A 51 -15.896 -5.640 -32.312 1.00 62.02 H new ATOM 0 HE1 TYR A 51 -16.670 -10.495 -32.469 1.00 33.41 H new ATOM 0 HE2 TYR A 51 -17.657 -6.553 -33.758 1.00 15.34 H new ATOM 0 HH TYR A 51 -18.706 -8.358 -34.480 1.00 31.15 H new ATOM 772 N ILE A 52 -12.518 -9.112 -29.638 1.00 44.23 N ATOM 773 CA ILE A 52 -11.272 -9.823 -29.380 1.00 61.22 C ATOM 774 C ILE A 52 -10.084 -8.867 -29.372 1.00 12.23 C ATOM 775 O ILE A 52 -10.159 -7.764 -29.912 1.00 24.11 O ATOM 776 CB ILE A 52 -11.024 -10.923 -30.430 1.00 3.23 C ATOM 777 CG1 ILE A 52 -9.974 -11.914 -29.923 1.00 72.20 C ATOM 778 CG2 ILE A 52 -10.584 -10.306 -31.749 1.00 51.02 C ATOM 779 CD1 ILE A 52 -10.260 -13.348 -30.312 1.00 0.11 C ATOM 0 H ILE A 52 -13.018 -9.425 -30.470 1.00 44.23 H new ATOM 0 HA ILE A 52 -11.370 -10.285 -28.397 1.00 61.22 H new ATOM 0 HB ILE A 52 -11.956 -11.463 -30.597 1.00 3.23 H new ATOM 0 HG12 ILE A 52 -8.997 -11.628 -30.313 1.00 72.20 H new ATOM 0 HG13 ILE A 52 -9.916 -11.845 -28.837 1.00 72.20 H new ATOM 0 HG21 ILE A 52 -10.413 -11.095 -32.481 1.00 51.02 H new ATOM 0 HG22 ILE A 52 -11.362 -9.635 -32.114 1.00 51.02 H new ATOM 0 HG23 ILE A 52 -9.662 -9.745 -31.598 1.00 51.02 H new ATOM 0 HD11 ILE A 52 -9.475 -13.995 -29.919 1.00 0.11 H new ATOM 0 HD12 ILE A 52 -11.222 -13.652 -29.899 1.00 0.11 H new ATOM 0 HD13 ILE A 52 -10.289 -13.431 -31.398 1.00 0.11 H new ATOM 791 N ASN A 53 -8.988 -9.298 -28.756 1.00 33.41 N ATOM 792 CA ASN A 53 -7.783 -8.481 -28.678 1.00 52.20 C ATOM 793 C ASN A 53 -7.287 -8.109 -30.072 1.00 62.31 C ATOM 794 O ASN A 53 -6.737 -7.027 -30.279 1.00 22.33 O ATOM 795 CB ASN A 53 -6.685 -9.225 -27.915 1.00 54.11 C ATOM 796 CG ASN A 53 -6.148 -8.422 -26.746 1.00 62.11 C ATOM 797 OD1 ASN A 53 -5.824 -7.243 -26.885 1.00 41.44 O ATOM 798 ND2 ASN A 53 -6.050 -9.060 -25.586 1.00 34.05 N ATOM 0 H ASN A 53 -8.910 -10.209 -28.303 1.00 33.41 H new ATOM 0 HA ASN A 53 -8.030 -7.564 -28.143 1.00 52.20 H new ATOM 0 HB2 ASN A 53 -7.079 -10.174 -27.550 1.00 54.11 H new ATOM 0 HB3 ASN A 53 -5.868 -9.460 -28.597 1.00 54.11 H new ATOM 0 HD21 ASN A 53 -5.694 -8.572 -24.764 1.00 34.05 H new ATOM 0 HD22 ASN A 53 -6.330 -10.038 -25.517 1.00 34.05 H new ATOM 805 N TYR A 54 -7.485 -9.013 -31.025 1.00 34.21 N ATOM 806 CA TYR A 54 -7.057 -8.782 -32.399 1.00 43.12 C ATOM 807 C TYR A 54 -8.242 -8.843 -33.357 1.00 54.43 C ATOM 808 O TYR A 54 -8.587 -9.906 -33.870 1.00 32.50 O ATOM 809 CB TYR A 54 -6.003 -9.813 -32.807 1.00 75.35 C ATOM 810 CG TYR A 54 -6.023 -11.067 -31.962 1.00 14.52 C ATOM 811 CD1 TYR A 54 -7.077 -11.968 -32.047 1.00 32.45 C ATOM 812 CD2 TYR A 54 -4.990 -11.348 -31.078 1.00 24.44 C ATOM 813 CE1 TYR A 54 -7.100 -13.114 -31.275 1.00 72.44 C ATOM 814 CE2 TYR A 54 -5.003 -12.493 -30.304 1.00 15.42 C ATOM 815 CZ TYR A 54 -6.061 -13.372 -30.406 1.00 61.30 C ATOM 816 OH TYR A 54 -6.079 -14.513 -29.636 1.00 12.52 O ATOM 0 H TYR A 54 -7.939 -9.913 -30.871 1.00 34.21 H new ATOM 0 HA TYR A 54 -6.621 -7.785 -32.454 1.00 43.12 H new ATOM 0 HB2 TYR A 54 -6.159 -10.086 -33.851 1.00 75.35 H new ATOM 0 HB3 TYR A 54 -5.016 -9.356 -32.741 1.00 75.35 H new ATOM 0 HD1 TYR A 54 -7.892 -11.770 -32.728 1.00 32.45 H new ATOM 0 HD2 TYR A 54 -4.162 -10.660 -30.994 1.00 24.44 H new ATOM 0 HE1 TYR A 54 -7.927 -13.804 -31.352 1.00 72.44 H new ATOM 0 HE2 TYR A 54 -4.190 -12.698 -29.624 1.00 15.42 H new ATOM 0 HH TYR A 54 -5.273 -14.545 -29.079 1.00 12.52 H new ATOM 826 N GLY A 55 -8.863 -7.691 -33.595 1.00 1.24 N ATOM 827 CA GLY A 55 -10.003 -7.633 -34.491 1.00 30.24 C ATOM 828 C GLY A 55 -11.247 -7.095 -33.812 1.00 50.32 C ATOM 829 O GLY A 55 -12.237 -7.809 -33.658 1.00 50.42 O ATOM 0 H GLY A 55 -8.596 -6.797 -33.183 1.00 1.24 H new ATOM 0 HA2 GLY A 55 -9.758 -7.003 -35.346 1.00 30.24 H new ATOM 0 HA3 GLY A 55 -10.207 -8.631 -34.879 1.00 30.24 H new ATOM 833 N GLY A 56 -11.196 -5.830 -33.404 1.00 33.45 N ATOM 834 CA GLY A 56 -12.333 -5.219 -32.741 1.00 14.12 C ATOM 835 C GLY A 56 -12.294 -3.705 -32.801 1.00 52.22 C ATOM 836 O GLY A 56 -11.382 -3.124 -33.390 1.00 14.31 O ATOM 0 H GLY A 56 -10.388 -5.218 -33.521 1.00 33.45 H new ATOM 0 HA2 GLY A 56 -13.254 -5.574 -33.204 1.00 14.12 H new ATOM 0 HA3 GLY A 56 -12.357 -5.538 -31.699 1.00 14.12 H new ATOM 840 N ARG A 57 -13.287 -3.064 -32.192 1.00 63.03 N ATOM 841 CA ARG A 57 -13.363 -1.608 -32.182 1.00 34.10 C ATOM 842 C ARG A 57 -12.427 -1.022 -31.130 1.00 10.25 C ATOM 843 O ARG A 57 -12.719 -1.059 -29.934 1.00 53.00 O ATOM 844 CB ARG A 57 -14.799 -1.154 -31.912 1.00 51.25 C ATOM 845 CG ARG A 57 -14.935 0.346 -31.707 1.00 2.04 C ATOM 846 CD ARG A 57 -15.489 0.671 -30.328 1.00 43.22 C ATOM 847 NE ARG A 57 -16.900 0.315 -30.207 1.00 61.24 N ATOM 848 CZ ARG A 57 -17.713 0.832 -29.293 1.00 41.32 C ATOM 849 NH1 ARG A 57 -17.257 1.725 -28.425 1.00 31.30 N ATOM 850 NH2 ARG A 57 -18.985 0.458 -29.247 1.00 20.33 N ATOM 0 H ARG A 57 -14.049 -3.530 -31.700 1.00 63.03 H new ATOM 0 HA ARG A 57 -13.052 -1.246 -33.162 1.00 34.10 H new ATOM 0 HB2 ARG A 57 -15.430 -1.457 -32.748 1.00 51.25 H new ATOM 0 HB3 ARG A 57 -15.174 -1.669 -31.027 1.00 51.25 H new ATOM 0 HG2 ARG A 57 -13.962 0.821 -31.831 1.00 2.04 H new ATOM 0 HG3 ARG A 57 -15.592 0.761 -32.471 1.00 2.04 H new ATOM 0 HD2 ARG A 57 -14.914 0.137 -29.571 1.00 43.22 H new ATOM 0 HD3 ARG A 57 -15.365 1.736 -30.129 1.00 43.22 H new ATOM 0 HE ARG A 57 -17.282 -0.368 -30.861 1.00 61.24 H new ATOM 0 HH11 ARG A 57 -16.280 2.016 -28.459 1.00 31.30 H new ATOM 0 HH12 ARG A 57 -17.883 2.121 -27.724 1.00 31.30 H new ATOM 0 HH21 ARG A 57 -19.340 -0.227 -29.914 1.00 20.33 H new ATOM 0 HH22 ARG A 57 -19.608 0.856 -28.545 1.00 20.33 H new ATOM 864 N TYR A 58 -11.301 -0.482 -31.582 1.00 40.12 N ATOM 865 CA TYR A 58 -10.320 0.109 -30.680 1.00 12.51 C ATOM 866 C TYR A 58 -10.717 1.533 -30.301 1.00 41.24 C ATOM 867 O TYR A 58 -10.999 2.362 -31.167 1.00 70.42 O ATOM 868 CB TYR A 58 -8.935 0.109 -31.328 1.00 3.50 C ATOM 869 CG TYR A 58 -7.937 1.002 -30.624 1.00 71.35 C ATOM 870 CD1 TYR A 58 -7.814 0.984 -29.241 1.00 13.23 C ATOM 871 CD2 TYR A 58 -7.116 1.862 -31.344 1.00 74.31 C ATOM 872 CE1 TYR A 58 -6.905 1.798 -28.594 1.00 2.30 C ATOM 873 CE2 TYR A 58 -6.203 2.678 -30.706 1.00 0.32 C ATOM 874 CZ TYR A 58 -6.101 2.643 -29.331 1.00 13.33 C ATOM 875 OH TYR A 58 -5.193 3.455 -28.690 1.00 70.23 O ATOM 0 H TYR A 58 -11.045 -0.441 -32.568 1.00 40.12 H new ATOM 0 HA TYR A 58 -10.289 -0.494 -29.773 1.00 12.51 H new ATOM 0 HB2 TYR A 58 -8.550 -0.911 -31.343 1.00 3.50 H new ATOM 0 HB3 TYR A 58 -9.028 0.430 -32.366 1.00 3.50 H new ATOM 0 HD1 TYR A 58 -8.440 0.322 -28.661 1.00 13.23 H new ATOM 0 HD2 TYR A 58 -7.194 1.892 -32.421 1.00 74.31 H new ATOM 0 HE1 TYR A 58 -6.824 1.773 -27.517 1.00 2.30 H new ATOM 0 HE2 TYR A 58 -5.572 3.340 -31.281 1.00 0.32 H new ATOM 0 HH TYR A 58 -4.705 3.988 -29.353 1.00 70.23 H new ATOM 885 N TRP A 59 -10.735 1.809 -29.003 1.00 14.34 N ATOM 886 CA TRP A 59 -11.097 3.133 -28.508 1.00 2.01 C ATOM 887 C TRP A 59 -10.473 3.392 -27.141 1.00 44.53 C ATOM 888 O TRP A 59 -10.959 2.900 -26.123 1.00 41.20 O ATOM 889 CB TRP A 59 -12.618 3.270 -28.422 1.00 42.21 C ATOM 890 CG TRP A 59 -13.066 4.294 -27.424 1.00 14.31 C ATOM 891 CD1 TRP A 59 -12.739 5.620 -27.406 1.00 64.01 C ATOM 892 CD2 TRP A 59 -13.923 4.076 -26.298 1.00 20.43 C ATOM 893 NE1 TRP A 59 -13.340 6.239 -26.337 1.00 21.54 N ATOM 894 CE2 TRP A 59 -14.073 5.313 -25.642 1.00 4.14 C ATOM 895 CE3 TRP A 59 -14.580 2.956 -25.781 1.00 23.40 C ATOM 896 CZ2 TRP A 59 -14.851 5.459 -24.496 1.00 64.42 C ATOM 897 CZ3 TRP A 59 -15.351 3.102 -24.644 1.00 32.42 C ATOM 898 CH2 TRP A 59 -15.482 4.345 -24.012 1.00 12.41 C ATOM 0 H TRP A 59 -10.503 1.135 -28.274 1.00 14.34 H new ATOM 0 HA TRP A 59 -10.712 3.873 -29.209 1.00 2.01 H new ATOM 0 HB2 TRP A 59 -13.008 3.536 -29.405 1.00 42.21 H new ATOM 0 HB3 TRP A 59 -13.048 2.304 -28.159 1.00 42.21 H new ATOM 0 HD1 TRP A 59 -12.101 6.110 -28.127 1.00 64.01 H new ATOM 0 HE1 TRP A 59 -13.255 7.227 -26.099 1.00 21.54 H new ATOM 0 HE3 TRP A 59 -14.487 1.993 -26.262 1.00 23.40 H new ATOM 0 HZ2 TRP A 59 -14.953 6.417 -24.007 1.00 64.42 H new ATOM 0 HZ3 TRP A 59 -15.862 2.243 -24.235 1.00 32.42 H new ATOM 0 HH2 TRP A 59 -16.093 4.426 -23.125 1.00 12.41 H new ATOM 909 N ASP A 60 -9.394 4.168 -27.126 1.00 31.11 N ATOM 910 CA ASP A 60 -8.704 4.494 -25.883 1.00 73.30 C ATOM 911 C ASP A 60 -9.076 5.894 -25.406 1.00 42.44 C ATOM 912 O ASP A 60 -9.552 6.721 -26.186 1.00 33.14 O ATOM 913 CB ASP A 60 -7.190 4.391 -26.073 1.00 72.02 C ATOM 914 CG ASP A 60 -6.680 5.310 -27.166 1.00 32.12 C ATOM 915 OD1 ASP A 60 -7.128 5.161 -28.322 1.00 45.40 O ATOM 916 OD2 ASP A 60 -5.833 6.177 -26.865 1.00 11.01 O ATOM 0 H ASP A 60 -8.979 4.583 -27.960 1.00 31.11 H new ATOM 0 HA ASP A 60 -9.016 3.777 -25.124 1.00 73.30 H new ATOM 0 HB2 ASP A 60 -6.692 4.635 -25.135 1.00 72.02 H new ATOM 0 HB3 ASP A 60 -6.926 3.362 -26.315 1.00 72.02 H new ATOM 921 N LEU A 61 -8.856 6.154 -24.122 1.00 42.55 N ATOM 922 CA LEU A 61 -9.168 7.455 -23.541 1.00 12.42 C ATOM 923 C LEU A 61 -8.345 7.700 -22.280 1.00 40.23 C ATOM 924 O LEU A 61 -7.831 6.763 -21.671 1.00 1.54 O ATOM 925 CB LEU A 61 -10.660 7.545 -23.215 1.00 11.22 C ATOM 926 CG LEU A 61 -11.134 6.730 -22.011 1.00 53.02 C ATOM 927 CD1 LEU A 61 -11.967 7.594 -21.076 1.00 64.41 C ATOM 928 CD2 LEU A 61 -11.930 5.517 -22.469 1.00 72.51 C ATOM 0 H LEU A 61 -8.463 5.481 -23.464 1.00 42.55 H new ATOM 0 HA LEU A 61 -8.915 8.222 -24.273 1.00 12.42 H new ATOM 0 HB2 LEU A 61 -10.911 8.591 -23.042 1.00 11.22 H new ATOM 0 HB3 LEU A 61 -11.223 7.223 -24.091 1.00 11.22 H new ATOM 0 HG LEU A 61 -10.258 6.380 -21.465 1.00 53.02 H new ATOM 0 HD11 LEU A 61 -12.296 6.997 -20.225 1.00 64.41 H new ATOM 0 HD12 LEU A 61 -11.365 8.431 -20.721 1.00 64.41 H new ATOM 0 HD13 LEU A 61 -12.838 7.974 -21.611 1.00 64.41 H new ATOM 0 HD21 LEU A 61 -12.259 4.948 -21.599 1.00 72.51 H new ATOM 0 HD22 LEU A 61 -12.799 5.846 -23.038 1.00 72.51 H new ATOM 0 HD23 LEU A 61 -11.302 4.886 -23.098 1.00 72.51 H new ATOM 940 N GLY A 62 -8.226 8.967 -21.894 1.00 21.00 N ATOM 941 CA GLY A 62 -7.466 9.312 -20.707 1.00 1.12 C ATOM 942 C GLY A 62 -8.284 9.184 -19.437 1.00 51.32 C ATOM 943 O GLY A 62 -9.347 8.563 -19.418 1.00 22.11 O ATOM 0 H GLY A 62 -8.642 9.760 -22.382 1.00 21.00 H new ATOM 0 HA2 GLY A 62 -6.591 8.665 -20.639 1.00 1.12 H new ATOM 0 HA3 GLY A 62 -7.100 10.335 -20.798 1.00 1.12 H new ATOM 947 N PRO A 63 -7.785 9.782 -18.345 1.00 34.54 N ATOM 948 CA PRO A 63 -8.461 9.745 -17.044 1.00 71.42 C ATOM 949 C PRO A 63 -9.679 10.661 -16.997 1.00 42.24 C ATOM 950 O PRO A 63 -9.551 11.870 -16.808 1.00 51.00 O ATOM 951 CB PRO A 63 -7.385 10.234 -16.072 1.00 14.45 C ATOM 952 CG PRO A 63 -6.485 11.085 -16.900 1.00 22.45 C ATOM 953 CD PRO A 63 -6.524 10.539 -18.295 1.00 2.33 C ATOM 0 HA PRO A 63 -8.845 8.752 -16.812 1.00 71.42 H new ATOM 0 HB2 PRO A 63 -7.822 10.802 -15.251 1.00 14.45 H new ATOM 0 HB3 PRO A 63 -6.843 9.399 -15.629 1.00 14.45 H new ATOM 0 HG2 PRO A 63 -6.814 12.124 -16.884 1.00 22.45 H new ATOM 0 HG3 PRO A 63 -5.468 11.067 -16.507 1.00 22.45 H new ATOM 0 HD2 PRO A 63 -6.508 11.337 -19.037 1.00 2.33 H new ATOM 0 HD3 PRO A 63 -5.666 9.899 -18.497 1.00 2.33 H new ATOM 961 N GLY A 64 -10.861 10.077 -17.171 1.00 3.10 N ATOM 962 CA GLY A 64 -12.084 10.857 -17.145 1.00 34.24 C ATOM 963 C GLY A 64 -13.322 9.989 -17.032 1.00 53.25 C ATOM 964 O GLY A 64 -13.278 8.795 -17.324 1.00 35.52 O ATOM 0 H GLY A 64 -10.993 9.078 -17.329 1.00 3.10 H new ATOM 0 HA2 GLY A 64 -12.052 11.550 -16.304 1.00 34.24 H new ATOM 0 HA3 GLY A 64 -12.147 11.459 -18.052 1.00 34.24 H new ATOM 968 N GLU A 65 -14.429 10.591 -16.607 1.00 43.35 N ATOM 969 CA GLU A 65 -15.683 9.864 -16.455 1.00 72.23 C ATOM 970 C GLU A 65 -16.669 10.243 -17.557 1.00 20.22 C ATOM 971 O GLU A 65 -16.676 11.377 -18.035 1.00 43.15 O ATOM 972 CB GLU A 65 -16.300 10.148 -15.084 1.00 61.40 C ATOM 973 CG GLU A 65 -17.707 9.598 -14.924 1.00 55.12 C ATOM 974 CD GLU A 65 -18.774 10.606 -15.306 1.00 11.13 C ATOM 975 OE1 GLU A 65 -18.419 11.654 -15.886 1.00 31.34 O ATOM 976 OE2 GLU A 65 -19.963 10.348 -15.025 1.00 20.15 O ATOM 0 H GLU A 65 -14.482 11.580 -16.362 1.00 43.35 H new ATOM 0 HA GLU A 65 -15.467 8.799 -16.535 1.00 72.23 H new ATOM 0 HB2 GLU A 65 -15.661 9.719 -14.312 1.00 61.40 H new ATOM 0 HB3 GLU A 65 -16.319 11.225 -14.920 1.00 61.40 H new ATOM 0 HG2 GLU A 65 -17.817 8.706 -15.541 1.00 55.12 H new ATOM 0 HG3 GLU A 65 -17.857 9.290 -13.889 1.00 55.12 H new ATOM 983 N TYR A 66 -17.499 9.285 -17.954 1.00 55.21 N ATOM 984 CA TYR A 66 -18.488 9.516 -19.001 1.00 3.51 C ATOM 985 C TYR A 66 -19.603 8.478 -18.936 1.00 71.32 C ATOM 986 O TYR A 66 -19.439 7.410 -18.346 1.00 11.25 O ATOM 987 CB TYR A 66 -17.821 9.480 -20.377 1.00 53.53 C ATOM 988 CG TYR A 66 -17.972 8.155 -21.089 1.00 32.23 C ATOM 989 CD1 TYR A 66 -17.201 7.058 -20.727 1.00 25.33 C ATOM 990 CD2 TYR A 66 -18.888 7.999 -22.122 1.00 43.34 C ATOM 991 CE1 TYR A 66 -17.335 5.845 -21.374 1.00 43.15 C ATOM 992 CE2 TYR A 66 -19.030 6.790 -22.775 1.00 23.11 C ATOM 993 CZ TYR A 66 -18.251 5.716 -22.398 1.00 4.04 C ATOM 994 OH TYR A 66 -18.388 4.509 -23.044 1.00 53.35 O ATOM 0 H TYR A 66 -17.507 8.341 -17.567 1.00 55.21 H new ATOM 0 HA TYR A 66 -18.925 10.502 -18.842 1.00 3.51 H new ATOM 0 HB2 TYR A 66 -18.247 10.267 -20.999 1.00 53.53 H new ATOM 0 HB3 TYR A 66 -16.760 9.703 -20.263 1.00 53.53 H new ATOM 0 HD1 TYR A 66 -16.484 7.155 -19.925 1.00 25.33 H new ATOM 0 HD2 TYR A 66 -19.500 8.838 -22.420 1.00 43.34 H new ATOM 0 HE1 TYR A 66 -16.726 5.003 -21.080 1.00 43.15 H new ATOM 0 HE2 TYR A 66 -19.747 6.686 -23.576 1.00 23.11 H new ATOM 0 HH TYR A 66 -17.563 4.303 -23.531 1.00 53.35 H new ATOM 1004 N SER A 67 -20.738 8.799 -19.549 1.00 31.20 N ATOM 1005 CA SER A 67 -21.883 7.896 -19.559 1.00 72.13 C ATOM 1006 C SER A 67 -22.809 8.206 -20.732 1.00 11.25 C ATOM 1007 O SER A 67 -23.942 8.649 -20.542 1.00 30.53 O ATOM 1008 CB SER A 67 -22.655 8.002 -18.243 1.00 12.32 C ATOM 1009 OG SER A 67 -23.266 9.274 -18.111 1.00 52.12 O ATOM 0 H SER A 67 -20.889 9.677 -20.045 1.00 31.20 H new ATOM 0 HA SER A 67 -21.510 6.878 -19.672 1.00 72.13 H new ATOM 0 HB2 SER A 67 -23.416 7.223 -18.201 1.00 12.32 H new ATOM 0 HB3 SER A 67 -21.978 7.832 -17.406 1.00 12.32 H new ATOM 0 HG SER A 67 -23.856 9.434 -18.877 1.00 52.12 H new ATOM 1015 N SER A 68 -22.318 7.971 -21.944 1.00 23.01 N ATOM 1016 CA SER A 68 -23.098 8.229 -23.148 1.00 74.53 C ATOM 1017 C SER A 68 -24.133 7.130 -23.370 1.00 74.32 C ATOM 1018 O SER A 68 -24.337 6.270 -22.512 1.00 53.54 O ATOM 1019 CB SER A 68 -22.178 8.331 -24.366 1.00 40.20 C ATOM 1020 OG SER A 68 -21.185 9.323 -24.172 1.00 41.44 O ATOM 0 H SER A 68 -21.383 7.602 -22.118 1.00 23.01 H new ATOM 0 HA SER A 68 -23.621 9.176 -23.016 1.00 74.53 H new ATOM 0 HB2 SER A 68 -21.703 7.367 -24.549 1.00 40.20 H new ATOM 0 HB3 SER A 68 -22.767 8.569 -25.252 1.00 40.20 H new ATOM 0 HG SER A 68 -20.609 9.368 -24.963 1.00 41.44 H new ATOM 1026 N VAL A 69 -24.785 7.164 -24.528 1.00 40.33 N ATOM 1027 CA VAL A 69 -25.798 6.172 -24.865 1.00 74.32 C ATOM 1028 C VAL A 69 -26.269 6.334 -26.306 1.00 40.02 C ATOM 1029 O VAL A 69 -27.420 6.044 -26.629 1.00 53.14 O ATOM 1030 CB VAL A 69 -27.015 6.270 -23.925 1.00 43.24 C ATOM 1031 CG1 VAL A 69 -27.819 7.527 -24.222 1.00 61.34 C ATOM 1032 CG2 VAL A 69 -27.885 5.029 -24.049 1.00 70.31 C ATOM 0 H VAL A 69 -24.629 7.869 -25.249 1.00 40.33 H new ATOM 0 HA VAL A 69 -25.334 5.193 -24.745 1.00 74.32 H new ATOM 0 HB VAL A 69 -26.655 6.332 -22.898 1.00 43.24 H new ATOM 0 HG11 VAL A 69 -28.674 7.579 -23.549 1.00 61.34 H new ATOM 0 HG12 VAL A 69 -27.189 8.405 -24.077 1.00 61.34 H new ATOM 0 HG13 VAL A 69 -28.170 7.499 -25.253 1.00 61.34 H new ATOM 0 HG21 VAL A 69 -28.740 5.115 -23.378 1.00 70.31 H new ATOM 0 HG22 VAL A 69 -28.238 4.933 -25.076 1.00 70.31 H new ATOM 0 HG23 VAL A 69 -27.302 4.148 -23.782 1.00 70.31 H new ATOM 1042 N GLU A 70 -25.370 6.799 -27.168 1.00 23.01 N ATOM 1043 CA GLU A 70 -25.694 7.000 -28.575 1.00 40.02 C ATOM 1044 C GLU A 70 -24.511 7.605 -29.325 1.00 42.50 C ATOM 1045 O GLU A 70 -24.359 7.407 -30.530 1.00 43.03 O ATOM 1046 CB GLU A 70 -26.918 7.907 -28.715 1.00 34.10 C ATOM 1047 CG GLU A 70 -26.887 9.117 -27.797 1.00 52.30 C ATOM 1048 CD GLU A 70 -28.030 10.079 -28.060 1.00 70.32 C ATOM 1049 OE1 GLU A 70 -28.353 10.307 -29.244 1.00 75.34 O ATOM 1050 OE2 GLU A 70 -28.601 10.603 -27.081 1.00 30.32 O ATOM 0 H GLU A 70 -24.412 7.043 -26.916 1.00 23.01 H new ATOM 0 HA GLU A 70 -25.920 6.027 -29.012 1.00 40.02 H new ATOM 0 HB2 GLU A 70 -26.991 8.247 -29.748 1.00 34.10 H new ATOM 0 HB3 GLU A 70 -27.816 7.326 -28.506 1.00 34.10 H new ATOM 0 HG2 GLU A 70 -26.930 8.783 -26.760 1.00 52.30 H new ATOM 0 HG3 GLU A 70 -25.940 9.641 -27.924 1.00 52.30 H new ATOM 1057 N SER A 71 -23.676 8.345 -28.602 1.00 42.34 N ATOM 1058 CA SER A 71 -22.508 8.984 -29.199 1.00 74.11 C ATOM 1059 C SER A 71 -21.292 8.065 -29.131 1.00 14.11 C ATOM 1060 O SER A 71 -20.153 8.517 -29.238 1.00 63.24 O ATOM 1061 CB SER A 71 -22.205 10.304 -28.489 1.00 5.51 C ATOM 1062 OG SER A 71 -21.159 11.005 -29.140 1.00 24.40 O ATOM 0 H SER A 71 -23.786 8.517 -27.603 1.00 42.34 H new ATOM 0 HA SER A 71 -22.730 9.186 -30.247 1.00 74.11 H new ATOM 0 HB2 SER A 71 -23.102 10.922 -28.466 1.00 5.51 H new ATOM 0 HB3 SER A 71 -21.926 10.108 -27.454 1.00 5.51 H new ATOM 0 HG SER A 71 -20.438 10.381 -29.366 1.00 24.40 H new ATOM 1068 N ALA A 72 -21.545 6.773 -28.951 1.00 65.43 N ATOM 1069 CA ALA A 72 -20.472 5.789 -28.871 1.00 2.15 C ATOM 1070 C ALA A 72 -20.717 4.629 -29.829 1.00 74.03 C ATOM 1071 O ALA A 72 -20.417 4.720 -31.019 1.00 21.32 O ATOM 1072 CB ALA A 72 -20.331 5.277 -27.445 1.00 13.24 C ATOM 0 H ALA A 72 -22.483 6.383 -28.858 1.00 65.43 H new ATOM 0 HA ALA A 72 -19.543 6.277 -29.164 1.00 2.15 H new ATOM 0 HB1 ALA A 72 -19.526 4.543 -27.400 1.00 13.24 H new ATOM 0 HB2 ALA A 72 -20.100 6.110 -26.781 1.00 13.24 H new ATOM 0 HB3 ALA A 72 -21.265 4.811 -27.132 1.00 13.24 H new ATOM 1078 N GLY A 73 -21.265 3.538 -29.303 1.00 33.21 N ATOM 1079 CA GLY A 73 -21.541 2.375 -30.126 1.00 41.04 C ATOM 1080 C GLY A 73 -22.328 1.313 -29.385 1.00 31.11 C ATOM 1081 O GLY A 73 -21.888 0.816 -28.348 1.00 33.04 O ATOM 0 H GLY A 73 -21.523 3.439 -28.321 1.00 33.21 H new ATOM 0 HA2 GLY A 73 -22.098 2.684 -31.011 1.00 41.04 H new ATOM 0 HA3 GLY A 73 -20.600 1.949 -30.474 1.00 41.04 H new ATOM 1085 N ILE A 74 -23.495 0.965 -29.916 1.00 14.20 N ATOM 1086 CA ILE A 74 -24.345 -0.044 -29.297 1.00 34.11 C ATOM 1087 C ILE A 74 -24.541 -1.241 -30.222 1.00 1.42 C ATOM 1088 O ILE A 74 -25.643 -1.515 -30.698 1.00 65.03 O ATOM 1089 CB ILE A 74 -25.724 0.533 -28.924 1.00 21.43 C ATOM 1090 CG1 ILE A 74 -25.562 1.865 -28.189 1.00 24.34 C ATOM 1091 CG2 ILE A 74 -26.499 -0.459 -28.069 1.00 72.03 C ATOM 1092 CD1 ILE A 74 -24.772 1.753 -26.903 1.00 14.20 C ATOM 0 H ILE A 74 -23.873 1.367 -30.774 1.00 14.20 H new ATOM 0 HA ILE A 74 -23.838 -0.369 -28.388 1.00 34.11 H new ATOM 0 HB ILE A 74 -26.287 0.711 -29.840 1.00 21.43 H new ATOM 0 HG12 ILE A 74 -25.067 2.577 -28.849 1.00 24.34 H new ATOM 0 HG13 ILE A 74 -26.549 2.270 -27.966 1.00 24.34 H new ATOM 0 HG21 ILE A 74 -27.471 -0.037 -27.813 1.00 72.03 H new ATOM 0 HG22 ILE A 74 -26.640 -1.386 -28.625 1.00 72.03 H new ATOM 0 HG23 ILE A 74 -25.941 -0.665 -27.155 1.00 72.03 H new ATOM 0 HD11 ILE A 74 -24.697 2.735 -26.435 1.00 14.20 H new ATOM 0 HD12 ILE A 74 -25.277 1.066 -26.224 1.00 14.20 H new ATOM 0 HD13 ILE A 74 -23.772 1.378 -27.122 1.00 14.20 H new ATOM 1104 N PRO A 75 -23.447 -1.972 -30.482 1.00 34.53 N ATOM 1105 CA PRO A 75 -23.473 -3.154 -31.349 1.00 51.35 C ATOM 1106 C PRO A 75 -23.769 -4.434 -30.577 1.00 32.43 C ATOM 1107 O PRO A 75 -24.773 -5.103 -30.826 1.00 25.03 O ATOM 1108 CB PRO A 75 -22.059 -3.196 -31.933 1.00 24.11 C ATOM 1109 CG PRO A 75 -21.483 -1.856 -31.629 1.00 31.01 C ATOM 1110 CD PRO A 75 -22.102 -1.704 -29.948 1.00 4.41 C ATOM 0 HA PRO A 75 -24.259 -3.090 -32.102 1.00 51.35 H new ATOM 0 HB2 PRO A 75 -21.468 -3.993 -31.481 1.00 24.11 H new ATOM 0 HB3 PRO A 75 -22.080 -3.384 -33.007 1.00 24.11 H new ATOM 0 HG2 PRO A 75 -20.395 -1.836 -31.686 1.00 31.01 H new ATOM 0 HG3 PRO A 75 -21.851 -1.073 -32.292 1.00 31.01 H new ATOM 0 HD2 PRO A 75 -21.724 -2.443 -29.242 1.00 4.41 H new ATOM 0 HD3 PRO A 75 -21.968 -0.725 -29.487 1.00 4.41 H new ATOM 1118 N ASP A 76 -22.891 -4.770 -29.638 1.00 62.14 N ATOM 1119 CA ASP A 76 -23.059 -5.971 -28.828 1.00 11.53 C ATOM 1120 C ASP A 76 -21.916 -6.116 -27.828 1.00 14.54 C ATOM 1121 O ASP A 76 -20.745 -6.121 -28.205 1.00 35.31 O ATOM 1122 CB ASP A 76 -23.131 -7.209 -29.722 1.00 34.54 C ATOM 1123 CG ASP A 76 -22.114 -7.173 -30.845 1.00 22.22 C ATOM 1124 OD1 ASP A 76 -22.424 -6.595 -31.907 1.00 43.11 O ATOM 1125 OD2 ASP A 76 -21.008 -7.724 -30.662 1.00 3.22 O ATOM 0 H ASP A 76 -22.056 -4.227 -29.419 1.00 62.14 H new ATOM 0 HA ASP A 76 -23.993 -5.878 -28.274 1.00 11.53 H new ATOM 0 HB2 ASP A 76 -22.968 -8.101 -29.117 1.00 34.54 H new ATOM 0 HB3 ASP A 76 -24.132 -7.290 -30.145 1.00 34.54 H new ATOM 1130 N ASN A 77 -22.266 -6.231 -26.550 1.00 64.45 N ATOM 1131 CA ASN A 77 -21.269 -6.375 -25.496 1.00 2.45 C ATOM 1132 C ASN A 77 -20.718 -7.797 -25.457 1.00 43.23 C ATOM 1133 O ASN A 77 -20.825 -8.488 -24.445 1.00 34.24 O ATOM 1134 CB ASN A 77 -21.877 -6.015 -24.138 1.00 42.44 C ATOM 1135 CG ASN A 77 -20.872 -5.362 -23.209 1.00 44.24 C ATOM 1136 OD1 ASN A 77 -21.038 -4.210 -22.808 1.00 23.03 O ATOM 1137 ND2 ASN A 77 -19.821 -6.097 -22.864 1.00 32.12 N ATOM 0 H ASN A 77 -23.231 -6.227 -26.220 1.00 64.45 H new ATOM 0 HA ASN A 77 -20.447 -5.692 -25.713 1.00 2.45 H new ATOM 0 HB2 ASN A 77 -22.720 -5.341 -24.288 1.00 42.44 H new ATOM 0 HB3 ASN A 77 -22.269 -6.917 -23.668 1.00 42.44 H new ATOM 0 HD21 ASN A 77 -19.110 -5.711 -22.242 1.00 32.12 H new ATOM 0 HD22 ASN A 77 -19.724 -7.048 -23.221 1.00 32.12 H new ATOM 1144 N SER A 78 -20.127 -8.227 -26.568 1.00 3.45 N ATOM 1145 CA SER A 78 -19.561 -9.567 -26.663 1.00 32.34 C ATOM 1146 C SER A 78 -18.041 -9.509 -26.781 1.00 53.34 C ATOM 1147 O SER A 78 -17.495 -8.654 -27.479 1.00 50.22 O ATOM 1148 CB SER A 78 -20.150 -10.308 -27.865 1.00 21.02 C ATOM 1149 OG SER A 78 -19.568 -11.592 -28.007 1.00 72.34 O ATOM 0 H SER A 78 -20.028 -7.666 -27.414 1.00 3.45 H new ATOM 0 HA SER A 78 -19.816 -10.107 -25.751 1.00 32.34 H new ATOM 0 HB2 SER A 78 -21.229 -10.406 -27.743 1.00 21.02 H new ATOM 0 HB3 SER A 78 -19.983 -9.727 -28.772 1.00 21.02 H new ATOM 0 HG SER A 78 -19.962 -12.046 -28.781 1.00 72.34 H new ATOM 1155 N ILE A 79 -17.365 -10.423 -26.095 1.00 21.51 N ATOM 1156 CA ILE A 79 -15.909 -10.477 -26.124 1.00 25.12 C ATOM 1157 C ILE A 79 -15.303 -9.102 -25.864 1.00 25.21 C ATOM 1158 O ILE A 79 -14.291 -8.735 -26.462 1.00 54.11 O ATOM 1159 CB ILE A 79 -15.391 -11.007 -27.474 1.00 54.44 C ATOM 1160 CG1 ILE A 79 -16.261 -12.169 -27.958 1.00 51.11 C ATOM 1161 CG2 ILE A 79 -13.938 -11.440 -27.352 1.00 33.51 C ATOM 1162 CD1 ILE A 79 -15.812 -12.750 -29.281 1.00 14.42 C ATOM 0 H ILE A 79 -17.802 -11.137 -25.512 1.00 21.51 H new ATOM 0 HA ILE A 79 -15.603 -11.162 -25.333 1.00 25.12 H new ATOM 0 HB ILE A 79 -15.449 -10.204 -28.209 1.00 54.44 H new ATOM 0 HG12 ILE A 79 -16.254 -12.956 -27.204 1.00 51.11 H new ATOM 0 HG13 ILE A 79 -17.291 -11.826 -28.052 1.00 51.11 H new ATOM 0 HG21 ILE A 79 -13.587 -11.812 -28.315 1.00 33.51 H new ATOM 0 HG22 ILE A 79 -13.329 -10.589 -27.048 1.00 33.51 H new ATOM 0 HG23 ILE A 79 -13.855 -12.230 -26.606 1.00 33.51 H new ATOM 0 HD11 ILE A 79 -16.474 -13.569 -29.562 1.00 14.42 H new ATOM 0 HD12 ILE A 79 -15.846 -11.976 -30.048 1.00 14.42 H new ATOM 0 HD13 ILE A 79 -14.792 -13.124 -29.187 1.00 14.42 H new ATOM 1174 N SER A 80 -15.927 -8.347 -24.966 1.00 3.50 N ATOM 1175 CA SER A 80 -15.450 -7.011 -24.627 1.00 52.45 C ATOM 1176 C SER A 80 -14.312 -7.080 -23.614 1.00 34.45 C ATOM 1177 O SER A 80 -14.314 -7.927 -22.720 1.00 4.12 O ATOM 1178 CB SER A 80 -16.595 -6.164 -24.068 1.00 74.24 C ATOM 1179 OG SER A 80 -17.819 -6.472 -24.713 1.00 71.13 O ATOM 0 H SER A 80 -16.764 -8.637 -24.460 1.00 3.50 H new ATOM 0 HA SER A 80 -15.074 -6.545 -25.538 1.00 52.45 H new ATOM 0 HB2 SER A 80 -16.691 -6.338 -22.996 1.00 74.24 H new ATOM 0 HB3 SER A 80 -16.367 -5.106 -24.200 1.00 74.24 H new ATOM 1185 N SER A 81 -13.342 -6.184 -23.760 1.00 11.23 N ATOM 1186 CA SER A 81 -12.195 -6.145 -22.860 1.00 13.11 C ATOM 1187 C SER A 81 -11.523 -4.776 -22.895 1.00 14.40 C ATOM 1188 O SER A 81 -11.557 -4.081 -23.911 1.00 4.21 O ATOM 1189 CB SER A 81 -11.186 -7.231 -23.239 1.00 11.45 C ATOM 1190 OG SER A 81 -11.002 -8.149 -22.175 1.00 73.23 O ATOM 0 H SER A 81 -13.327 -5.475 -24.493 1.00 11.23 H new ATOM 0 HA SER A 81 -12.553 -6.329 -21.847 1.00 13.11 H new ATOM 0 HB2 SER A 81 -11.534 -7.762 -24.125 1.00 11.45 H new ATOM 0 HB3 SER A 81 -10.232 -6.772 -23.496 1.00 11.45 H new ATOM 0 HG SER A 81 -10.354 -8.834 -22.442 1.00 73.23 H new ATOM 1196 N PHE A 82 -10.914 -4.394 -21.778 1.00 3.14 N ATOM 1197 CA PHE A 82 -10.234 -3.107 -21.679 1.00 33.45 C ATOM 1198 C PHE A 82 -9.085 -3.175 -20.677 1.00 12.11 C ATOM 1199 O PHE A 82 -9.260 -3.626 -19.545 1.00 60.50 O ATOM 1200 CB PHE A 82 -11.223 -2.015 -21.265 1.00 22.11 C ATOM 1201 CG PHE A 82 -11.737 -2.171 -19.862 1.00 65.52 C ATOM 1202 CD1 PHE A 82 -12.587 -3.215 -19.534 1.00 52.23 C ATOM 1203 CD2 PHE A 82 -11.368 -1.276 -18.872 1.00 13.44 C ATOM 1204 CE1 PHE A 82 -13.062 -3.360 -18.244 1.00 60.45 C ATOM 1205 CE2 PHE A 82 -11.840 -1.416 -17.580 1.00 24.32 C ATOM 1206 CZ PHE A 82 -12.687 -2.461 -17.266 1.00 3.22 C ATOM 0 H PHE A 82 -10.877 -4.957 -20.928 1.00 3.14 H new ATOM 0 HA PHE A 82 -9.824 -2.864 -22.659 1.00 33.45 H new ATOM 0 HB2 PHE A 82 -10.739 -1.043 -21.360 1.00 22.11 H new ATOM 0 HB3 PHE A 82 -12.067 -2.020 -21.955 1.00 22.11 H new ATOM 0 HD1 PHE A 82 -12.882 -3.923 -20.294 1.00 52.23 H new ATOM 0 HD2 PHE A 82 -10.704 -0.459 -19.112 1.00 13.44 H new ATOM 0 HE1 PHE A 82 -13.726 -4.176 -18.001 1.00 60.45 H new ATOM 0 HE2 PHE A 82 -11.547 -0.709 -16.818 1.00 24.32 H new ATOM 0 HZ PHE A 82 -13.055 -2.574 -16.257 1.00 3.22 H new ATOM 1216 N ARG A 83 -7.910 -2.723 -21.102 1.00 60.24 N ATOM 1217 CA ARG A 83 -6.731 -2.734 -20.244 1.00 53.34 C ATOM 1218 C ARG A 83 -6.343 -1.315 -19.837 1.00 31.44 C ATOM 1219 O ARG A 83 -6.131 -0.452 -20.687 1.00 41.41 O ATOM 1220 CB ARG A 83 -5.560 -3.409 -20.960 1.00 4.14 C ATOM 1221 CG ARG A 83 -5.857 -4.831 -21.407 1.00 1.20 C ATOM 1222 CD ARG A 83 -5.652 -5.825 -20.275 1.00 34.22 C ATOM 1223 NE ARG A 83 -4.271 -6.292 -20.199 1.00 5.41 N ATOM 1224 CZ ARG A 83 -3.876 -7.299 -19.428 1.00 11.33 C ATOM 1225 NH1 ARG A 83 -4.754 -7.942 -18.671 1.00 14.33 N ATOM 1226 NH2 ARG A 83 -2.601 -7.665 -19.413 1.00 42.30 N ATOM 0 H ARG A 83 -7.749 -2.345 -22.035 1.00 60.24 H new ATOM 0 HA ARG A 83 -6.972 -3.299 -19.344 1.00 53.34 H new ATOM 0 HB2 ARG A 83 -5.286 -2.813 -21.831 1.00 4.14 H new ATOM 0 HB3 ARG A 83 -4.696 -3.419 -20.296 1.00 4.14 H new ATOM 0 HG2 ARG A 83 -6.884 -4.894 -21.766 1.00 1.20 H new ATOM 0 HG3 ARG A 83 -5.210 -5.093 -22.244 1.00 1.20 H new ATOM 0 HD2 ARG A 83 -5.930 -5.359 -19.329 1.00 34.22 H new ATOM 0 HD3 ARG A 83 -6.316 -6.678 -20.417 1.00 34.22 H new ATOM 0 HE ARG A 83 -3.570 -5.819 -20.770 1.00 5.41 H new ATOM 0 HH11 ARG A 83 -5.735 -7.664 -18.680 1.00 14.33 H new ATOM 0 HH12 ARG A 83 -4.448 -8.715 -18.080 1.00 14.33 H new ATOM 0 HH21 ARG A 83 -1.922 -7.173 -19.994 1.00 42.30 H new ATOM 0 HH22 ARG A 83 -2.299 -8.438 -18.820 1.00 42.30 H new ATOM 1240 N GLN A 84 -6.253 -1.084 -18.531 1.00 31.41 N ATOM 1241 CA GLN A 84 -5.892 0.229 -18.011 1.00 42.22 C ATOM 1242 C GLN A 84 -4.385 0.335 -17.799 1.00 12.12 C ATOM 1243 O GLN A 84 -3.751 -0.599 -17.308 1.00 21.05 O ATOM 1244 CB GLN A 84 -6.624 0.500 -16.696 1.00 34.21 C ATOM 1245 CG GLN A 84 -8.114 0.200 -16.756 1.00 45.12 C ATOM 1246 CD GLN A 84 -8.467 -1.132 -16.125 1.00 63.31 C ATOM 1247 OE1 GLN A 84 -9.124 -1.970 -16.743 1.00 33.10 O ATOM 1248 NE2 GLN A 84 -8.031 -1.336 -14.887 1.00 45.54 N ATOM 0 H GLN A 84 -6.425 -1.789 -17.814 1.00 31.41 H new ATOM 0 HA GLN A 84 -6.191 0.977 -18.745 1.00 42.22 H new ATOM 0 HB2 GLN A 84 -6.172 -0.102 -15.908 1.00 34.21 H new ATOM 0 HB3 GLN A 84 -6.483 1.545 -16.420 1.00 34.21 H new ATOM 0 HG2 GLN A 84 -8.661 0.994 -16.249 1.00 45.12 H new ATOM 0 HG3 GLN A 84 -8.440 0.203 -17.796 1.00 45.12 H new ATOM 0 HE21 GLN A 84 -7.489 -0.614 -14.412 1.00 45.54 H new ATOM 0 HE22 GLN A 84 -8.238 -2.215 -14.412 1.00 45.54 H new ATOM 1257 N ILE A 85 -3.819 1.478 -18.172 1.00 70.43 N ATOM 1258 CA ILE A 85 -2.387 1.705 -18.022 1.00 32.02 C ATOM 1259 C ILE A 85 -2.104 2.712 -16.912 1.00 31.31 C ATOM 1260 O ILE A 85 -2.286 3.910 -17.124 1.00 65.45 O ATOM 1261 CB ILE A 85 -1.757 2.212 -19.332 1.00 62.03 C ATOM 1262 CG1 ILE A 85 -2.257 1.384 -20.518 1.00 11.30 C ATOM 1263 CG2 ILE A 85 -0.239 2.159 -19.245 1.00 61.22 C ATOM 1264 CD1 ILE A 85 -1.968 -0.095 -20.387 1.00 52.32 C ATOM 0 H ILE A 85 -4.330 2.261 -18.580 1.00 70.43 H new ATOM 0 HA ILE A 85 -1.941 0.745 -17.762 1.00 32.02 H new ATOM 0 HB ILE A 85 -2.057 3.249 -19.485 1.00 62.03 H new ATOM 0 HG12 ILE A 85 -3.332 1.528 -20.624 1.00 11.30 H new ATOM 0 HG13 ILE A 85 -1.794 1.757 -21.432 1.00 11.30 H new ATOM 0 HG21 ILE A 85 0.192 2.521 -20.179 1.00 61.22 H new ATOM 0 HG22 ILE A 85 0.100 2.787 -18.421 1.00 61.22 H new ATOM 0 HG23 ILE A 85 0.080 1.131 -19.072 1.00 61.22 H new ATOM 0 HD11 ILE A 85 -2.350 -0.619 -21.263 1.00 52.32 H new ATOM 0 HD12 ILE A 85 -0.892 -0.250 -20.312 1.00 52.32 H new ATOM 0 HD13 ILE A 85 -2.454 -0.483 -19.491 1.00 52.32 H new TER 1276 ILE A 85 HETATM 1277 CA CA A 126 -22.581 -2.457 -21.392 1.00 64.13 CA HETATM 1278 CA CA A 136 -18.848 -5.638 -26.824 1.00 45.22 CA