USER MOD reduce.3.24.130724 H: found=0, std=0, add=1206, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1204 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 133 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 134 LYS NZ :NH3+ -163:sc= -0.0643 (180deg=-0.336) USER MOD Set 2.1: A 104 GLN : amide:sc= -0.777 X(o=0.73,f=0.39) USER MOD Set 2.2: A 152 ASN : amide:sc= 1.51 K(o=0.73,f=-1.9) USER MOD Set 3.1: A 30 CYS SG : rot -100:sc= -1.52 USER MOD Set 3.2: A 70 HIS : no HD1:sc= 0.638 K(o=-0.88,f=-4.1!) USER MOD Set 4.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 93 THR OG1 : rot -39:sc= 1.27 USER MOD Set 4.3: A 115 ASN : amide:sc= -2! C(o=-0.74!,f=-2.4!) USER MOD Set 5.1: A 8 ASN : amide:sc= -0.568 K(o=-1.5,f=-0.95) USER MOD Set 5.2: A 27 THR OG1 : rot 180:sc= -0.952 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.108) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -137:sc= 0.937 (180deg=-0.014) USER MOD Single : A 5 GLN : amide:sc=-0.00372 K(o=-0.0037,f=-0.61) USER MOD Single : A 7 ASN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.52) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.4) USER MOD Single : A 23 GLN : amide:sc= -0.876 K(o=-0.88,f=0) USER MOD Single : A 35 SER OG : rot -85:sc= 1.08 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 140:sc= -0.389 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.2 K(o=-0.2,f=-6.6!) USER MOD Single : A 59 SER OG : rot 44:sc= 0.0467 USER MOD Single : A 71 MET CE :methyl 165:sc= -0.21 (180deg=-0.564) USER MOD Single : A 75 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.686 K(o=0.69,f=-8.3!) USER MOD Single : A 98 THR OG1 : rot 170:sc= -0.0191 USER MOD Single : A 99 CYS SG : rot -101:sc= 1.05 USER MOD Single : A 100 THR OG1 : rot 164:sc= 1.34 USER MOD Single : A 101 TYR OH : rot 1:sc= 0.169 USER MOD Single : A 111 TYR OH : rot 30:sc= -0.563 USER MOD Single : A 112 TYR OH : rot 180:sc= 0.852 USER MOD Single : A 114 ASN : amide:sc= -2.5! K(o=-2.5!,f=-0.071) USER MOD Single : A 117 TYR OH : rot 180:sc= -1.92! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc=-0.00423 X(o=-0.0042,f=-0.11) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 138 ASN : amide:sc= 0.0175 X(o=0.018,f=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 147 THR OG1 : rot -120:sc= 0.584 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.556 0.246 8.321 1.00 2.96 N ATOM 2 CA MET A 1 -22.642 1.398 8.144 1.00 2.49 C ATOM 3 C MET A 1 -21.732 1.189 6.942 1.00 1.61 C ATOM 4 O MET A 1 -21.732 1.985 6.003 1.00 2.04 O ATOM 5 CB MET A 1 -21.798 1.608 9.405 1.00 2.65 C ATOM 6 CG MET A 1 -20.773 2.725 9.280 1.00 2.26 C ATOM 7 SD MET A 1 -21.529 4.318 8.911 1.00 2.63 S ATOM 8 CE MET A 1 -20.077 5.351 8.728 1.00 2.46 C ATOM 0 H1 MET A 1 -24.167 0.411 9.146 1.00 2.96 H new ATOM 0 H2 MET A 1 -24.145 0.136 7.471 1.00 2.96 H new ATOM 0 H3 MET A 1 -22.999 -0.619 8.470 1.00 2.96 H new ATOM 0 HA MET A 1 -23.249 2.286 7.969 1.00 2.49 H new ATOM 0 HB2 MET A 1 -22.461 1.828 10.242 1.00 2.65 H new ATOM 0 HB3 MET A 1 -21.281 0.679 9.644 1.00 2.65 H new ATOM 0 HG2 MET A 1 -20.208 2.801 10.209 1.00 2.26 H new ATOM 0 HG3 MET A 1 -20.061 2.474 8.494 1.00 2.26 H new ATOM 0 HE1 MET A 1 -20.382 6.392 8.621 1.00 2.46 H new ATOM 0 HE2 MET A 1 -19.444 5.248 9.609 1.00 2.46 H new ATOM 0 HE3 MET A 1 -19.521 5.043 7.843 1.00 2.46 H new ATOM 18 N ALA A 2 -20.967 0.106 6.964 1.00 0.91 N ATOM 19 CA ALA A 2 -19.992 -0.152 5.921 1.00 0.66 C ATOM 20 C ALA A 2 -20.568 -1.071 4.858 1.00 0.57 C ATOM 21 O ALA A 2 -21.199 -2.081 5.170 1.00 0.68 O ATOM 22 CB ALA A 2 -18.728 -0.755 6.516 1.00 1.48 C ATOM 0 H ALA A 2 -21.005 -0.606 7.694 1.00 0.91 H new ATOM 0 HA ALA A 2 -19.738 0.797 5.449 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -18.006 -0.943 5.722 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -18.299 -0.061 7.239 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -18.972 -1.693 7.014 1.00 1.48 H new ATOM 28 N LYS A 3 -20.371 -0.705 3.603 1.00 0.46 N ATOM 29 CA LYS A 3 -20.804 -1.543 2.497 1.00 0.45 C ATOM 30 C LYS A 3 -19.668 -2.466 2.064 1.00 0.35 C ATOM 31 O LYS A 3 -19.885 -3.447 1.360 1.00 0.36 O ATOM 32 CB LYS A 3 -21.304 -0.690 1.321 1.00 0.54 C ATOM 33 CG LYS A 3 -22.711 -0.126 1.519 1.00 0.82 C ATOM 34 CD LYS A 3 -22.763 0.940 2.603 1.00 0.81 C ATOM 35 CE LYS A 3 -24.187 1.209 3.075 1.00 0.91 C ATOM 36 NZ LYS A 3 -25.120 1.515 1.953 1.00 0.98 N ATOM 0 H LYS A 3 -19.915 0.164 3.324 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.639 -2.157 2.833 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.611 0.136 1.164 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.290 -1.295 0.414 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.065 0.298 0.579 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.391 -0.937 1.779 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -22.154 0.625 3.450 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.327 1.864 2.223 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -24.554 0.340 3.620 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -24.181 2.045 3.775 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.733 2.312 2.219 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.573 1.766 1.105 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.706 0.680 1.752 1.00 0.98 H new ATOM 50 N VAL A 4 -18.464 -2.147 2.527 1.00 0.32 N ATOM 51 CA VAL A 4 -17.275 -2.950 2.268 1.00 0.29 C ATOM 52 C VAL A 4 -16.403 -2.985 3.514 1.00 0.33 C ATOM 53 O VAL A 4 -16.040 -1.942 4.055 1.00 0.45 O ATOM 54 CB VAL A 4 -16.450 -2.408 1.068 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.971 -2.761 1.194 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.991 -2.958 -0.239 1.00 0.27 C ATOM 0 H VAL A 4 -18.285 -1.319 3.096 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.606 -3.956 2.010 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.544 -1.322 1.075 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.428 -2.365 0.336 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.570 -2.326 2.110 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.857 -3.845 1.226 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.402 -2.568 -1.069 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.929 -4.046 -0.229 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -18.031 -2.655 -0.359 1.00 0.27 H new ATOM 66 N GLN A 5 -16.097 -4.182 3.976 1.00 0.30 N ATOM 67 CA GLN A 5 -15.237 -4.352 5.132 1.00 0.34 C ATOM 68 C GLN A 5 -14.032 -5.210 4.762 1.00 0.31 C ATOM 69 O GLN A 5 -14.165 -6.409 4.510 1.00 0.32 O ATOM 70 CB GLN A 5 -16.021 -4.992 6.281 1.00 0.41 C ATOM 71 CG GLN A 5 -15.198 -5.220 7.536 1.00 0.72 C ATOM 72 CD GLN A 5 -14.778 -3.932 8.218 1.00 0.81 C ATOM 73 OE1 GLN A 5 -15.487 -2.926 8.176 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.617 -3.956 8.850 1.00 1.39 N ATOM 0 H GLN A 5 -16.432 -5.054 3.567 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.881 -3.375 5.459 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.871 -4.355 6.527 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.425 -5.947 5.945 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.776 -5.823 8.237 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.308 -5.795 7.280 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.060 -4.810 8.861 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -13.278 -3.120 9.327 1.00 1.39 H new ATOM 83 N VAL A 6 -12.863 -4.589 4.698 1.00 0.32 N ATOM 84 CA VAL A 6 -11.634 -5.317 4.417 1.00 0.34 C ATOM 85 C VAL A 6 -11.225 -6.120 5.646 1.00 0.38 C ATOM 86 O VAL A 6 -10.914 -5.553 6.695 1.00 0.60 O ATOM 87 CB VAL A 6 -10.480 -4.374 4.005 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.225 -5.171 3.670 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.893 -3.501 2.826 1.00 1.32 C ATOM 0 H VAL A 6 -12.740 -3.586 4.836 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.829 -5.985 3.578 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.255 -3.723 4.850 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.426 -4.488 3.383 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.915 -5.745 4.543 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.435 -5.851 2.844 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -10.067 -2.845 2.552 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -11.150 -4.134 1.977 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.758 -2.899 3.105 1.00 1.32 H new ATOM 99 N ASN A 7 -11.239 -7.438 5.518 1.00 0.32 N ATOM 100 CA ASN A 7 -10.953 -8.313 6.646 1.00 0.36 C ATOM 101 C ASN A 7 -9.542 -8.873 6.559 1.00 0.37 C ATOM 102 O ASN A 7 -8.696 -8.578 7.402 1.00 0.46 O ATOM 103 CB ASN A 7 -11.965 -9.466 6.720 1.00 0.37 C ATOM 104 CG ASN A 7 -13.335 -9.019 7.207 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.603 -8.989 8.408 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.214 -8.678 6.279 1.00 0.53 N ATOM 0 H ASN A 7 -11.445 -7.925 4.646 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.037 -7.714 7.553 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.065 -9.919 5.734 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.581 -10.238 7.388 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.150 -8.377 6.549 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.955 -8.716 5.293 1.00 0.53 H new ATOM 113 N ASN A 8 -9.289 -9.661 5.525 1.00 0.33 N ATOM 114 CA ASN A 8 -8.006 -10.344 5.382 1.00 0.39 C ATOM 115 C ASN A 8 -7.129 -9.605 4.383 1.00 0.39 C ATOM 116 O ASN A 8 -7.560 -9.316 3.274 1.00 0.48 O ATOM 117 CB ASN A 8 -8.218 -11.792 4.920 1.00 0.44 C ATOM 118 CG ASN A 8 -6.920 -12.579 4.792 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.772 -13.411 3.896 1.00 1.25 O ATOM 120 ND2 ASN A 8 -5.985 -12.355 5.704 1.00 1.47 N ATOM 0 H ASN A 8 -9.952 -9.845 4.772 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.510 -10.355 6.352 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.874 -12.299 5.627 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.729 -11.788 3.957 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.110 -12.879 5.677 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.140 -11.658 6.433 1.00 1.47 H new ATOM 127 N VAL A 9 -5.914 -9.278 4.782 1.00 0.42 N ATOM 128 CA VAL A 9 -4.976 -8.625 3.884 1.00 0.45 C ATOM 129 C VAL A 9 -3.553 -9.098 4.164 1.00 0.50 C ATOM 130 O VAL A 9 -3.085 -9.055 5.303 1.00 0.60 O ATOM 131 CB VAL A 9 -5.084 -7.082 3.980 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.815 -6.584 5.396 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.153 -6.413 2.982 1.00 1.01 C ATOM 0 H VAL A 9 -5.553 -9.453 5.720 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.234 -8.905 2.862 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.109 -6.809 3.729 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.900 -5.498 5.422 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.542 -7.021 6.080 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -3.810 -6.876 5.700 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.246 -5.330 3.067 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.124 -6.707 3.191 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.421 -6.722 1.971 1.00 1.01 H new ATOM 143 N VAL A 10 -2.886 -9.595 3.130 1.00 0.52 N ATOM 144 CA VAL A 10 -1.524 -10.095 3.269 1.00 0.61 C ATOM 145 C VAL A 10 -0.624 -9.561 2.158 1.00 0.47 C ATOM 146 O VAL A 10 -1.086 -9.276 1.049 1.00 0.48 O ATOM 147 CB VAL A 10 -1.469 -11.641 3.277 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.126 -12.198 4.530 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.128 -12.216 2.034 1.00 1.24 C ATOM 0 H VAL A 10 -3.266 -9.663 2.186 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.160 -9.735 4.231 1.00 0.61 H new ATOM 0 HB VAL A 10 -0.420 -11.937 3.276 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.076 -13.287 4.514 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -1.605 -11.824 5.411 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.169 -11.884 4.564 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.076 -13.304 2.065 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.172 -11.904 1.998 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -1.610 -11.853 1.146 1.00 1.24 H new ATOM 159 N VAL A 11 0.660 -9.432 2.464 1.00 0.44 N ATOM 160 CA VAL A 11 1.632 -8.894 1.522 1.00 0.39 C ATOM 161 C VAL A 11 2.584 -9.991 1.055 1.00 0.41 C ATOM 162 O VAL A 11 3.304 -10.574 1.864 1.00 0.52 O ATOM 163 CB VAL A 11 2.453 -7.760 2.166 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.306 -7.056 1.129 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.548 -6.770 2.879 1.00 0.91 C ATOM 0 H VAL A 11 1.055 -9.696 3.367 1.00 0.44 H new ATOM 0 HA VAL A 11 1.082 -8.498 0.669 1.00 0.39 H new ATOM 0 HB VAL A 11 3.116 -8.206 2.907 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.876 -6.260 1.607 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.992 -7.772 0.675 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.664 -6.630 0.358 1.00 0.81 H new ATOM 0 HG21 VAL A 11 2.153 -5.980 3.325 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.851 -6.334 2.164 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.990 -7.285 3.661 1.00 0.91 H new ATOM 175 N LEU A 12 2.582 -10.273 -0.241 1.00 0.40 N ATOM 176 CA LEU A 12 3.388 -11.354 -0.794 1.00 0.45 C ATOM 177 C LEU A 12 4.792 -10.892 -1.162 1.00 0.57 C ATOM 178 O LEU A 12 5.753 -11.658 -1.097 1.00 1.18 O ATOM 179 CB LEU A 12 2.734 -11.914 -2.056 1.00 0.50 C ATOM 180 CG LEU A 12 1.257 -12.295 -1.954 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.954 -12.996 -0.639 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.370 -11.077 -2.147 1.00 1.16 C ATOM 0 H LEU A 12 2.029 -9.766 -0.932 1.00 0.40 H new ATOM 0 HA LEU A 12 3.455 -12.118 -0.019 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.841 -11.175 -2.851 1.00 0.50 H new ATOM 0 HB3 LEU A 12 3.293 -12.798 -2.365 1.00 0.50 H new ATOM 0 HG LEU A 12 1.038 -13.000 -2.756 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.105 -13.253 -0.599 1.00 0.92 H new ATOM 0 HD12 LEU A 12 1.551 -13.905 -0.565 1.00 0.92 H new ATOM 0 HD13 LEU A 12 1.198 -12.333 0.191 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.676 -11.373 -2.070 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.595 -10.337 -1.379 1.00 1.16 H new ATOM 0 HD23 LEU A 12 0.554 -10.645 -3.131 1.00 1.16 H new ATOM 194 N ASP A 13 4.896 -9.636 -1.549 1.00 0.84 N ATOM 195 CA ASP A 13 6.123 -9.100 -2.147 1.00 1.01 C ATOM 196 C ASP A 13 7.214 -8.816 -1.116 1.00 0.85 C ATOM 197 O ASP A 13 8.188 -8.119 -1.408 1.00 1.01 O ATOM 198 CB ASP A 13 5.807 -7.824 -2.923 1.00 1.29 C ATOM 199 CG ASP A 13 5.402 -6.681 -2.020 1.00 2.15 C ATOM 200 OD1 ASP A 13 4.203 -6.573 -1.690 1.00 2.73 O ATOM 201 OD2 ASP A 13 6.288 -5.902 -1.630 1.00 2.57 O ATOM 0 H ASP A 13 4.142 -8.954 -1.463 1.00 0.84 H new ATOM 0 HA ASP A 13 6.508 -9.867 -2.818 1.00 1.01 H new ATOM 0 HB2 ASP A 13 6.681 -7.531 -3.505 1.00 1.29 H new ATOM 0 HB3 ASP A 13 5.004 -8.024 -3.633 1.00 1.29 H new ATOM 206 N ASN A 14 7.075 -9.369 0.075 1.00 0.68 N ATOM 207 CA ASN A 14 8.106 -9.217 1.092 1.00 0.63 C ATOM 208 C ASN A 14 8.448 -10.570 1.711 1.00 0.57 C ATOM 209 O ASN A 14 7.570 -11.416 1.904 1.00 0.67 O ATOM 210 CB ASN A 14 7.679 -8.223 2.181 1.00 0.78 C ATOM 211 CG ASN A 14 6.808 -8.842 3.258 1.00 0.96 C ATOM 212 OD1 ASN A 14 7.307 -9.341 4.262 1.00 1.88 O ATOM 213 ND2 ASN A 14 5.503 -8.804 3.061 1.00 1.40 N ATOM 0 H ASN A 14 6.268 -9.923 0.363 1.00 0.68 H new ATOM 0 HA ASN A 14 8.996 -8.817 0.606 1.00 0.63 H new ATOM 0 HB2 ASN A 14 8.570 -7.799 2.644 1.00 0.78 H new ATOM 0 HB3 ASN A 14 7.138 -7.398 1.717 1.00 0.78 H new ATOM 0 HD21 ASN A 14 4.870 -9.199 3.757 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.127 -8.380 2.213 1.00 1.40 H new ATOM 220 N PRO A 15 9.737 -10.807 1.995 1.00 0.51 N ATOM 221 CA PRO A 15 10.817 -9.891 1.650 1.00 0.45 C ATOM 222 C PRO A 15 11.317 -10.118 0.227 1.00 0.44 C ATOM 223 O PRO A 15 11.691 -11.232 -0.146 1.00 0.48 O ATOM 224 CB PRO A 15 11.921 -10.227 2.667 1.00 0.48 C ATOM 225 CG PRO A 15 11.429 -11.410 3.451 1.00 0.57 C ATOM 226 CD PRO A 15 10.252 -11.977 2.703 1.00 0.60 C ATOM 0 HA PRO A 15 10.498 -8.849 1.687 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.858 -10.459 2.161 1.00 0.48 H new ATOM 0 HB3 PRO A 15 12.115 -9.379 3.324 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.216 -12.157 3.555 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.138 -11.111 4.458 1.00 0.57 H new ATOM 0 HD2 PRO A 15 10.550 -12.769 2.016 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.509 -12.403 3.377 1.00 0.60 H new ATOM 234 N SER A 16 11.315 -9.063 -0.567 1.00 0.42 N ATOM 235 CA SER A 16 11.713 -9.158 -1.967 1.00 0.47 C ATOM 236 C SER A 16 12.275 -7.820 -2.443 1.00 0.45 C ATOM 237 O SER A 16 12.018 -6.790 -1.823 1.00 0.43 O ATOM 238 CB SER A 16 10.517 -9.591 -2.825 1.00 0.59 C ATOM 239 OG SER A 16 10.029 -10.860 -2.416 1.00 0.77 O ATOM 0 H SER A 16 11.042 -8.126 -0.269 1.00 0.42 H new ATOM 0 HA SER A 16 12.495 -9.911 -2.069 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.722 -8.850 -2.747 1.00 0.59 H new ATOM 0 HB3 SER A 16 10.813 -9.632 -3.873 1.00 0.59 H new ATOM 0 HG SER A 16 9.266 -11.113 -2.977 1.00 0.77 H new ATOM 245 N PRO A 17 13.055 -7.814 -3.540 1.00 0.52 N ATOM 246 CA PRO A 17 13.740 -6.609 -4.026 1.00 0.52 C ATOM 247 C PRO A 17 12.780 -5.477 -4.400 1.00 0.48 C ATOM 248 O PRO A 17 11.597 -5.703 -4.658 1.00 0.58 O ATOM 249 CB PRO A 17 14.509 -7.096 -5.260 1.00 0.60 C ATOM 250 CG PRO A 17 13.835 -8.358 -5.664 1.00 0.83 C ATOM 251 CD PRO A 17 13.336 -8.981 -4.394 1.00 0.63 C ATOM 0 HA PRO A 17 14.377 -6.180 -3.253 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.476 -6.358 -6.061 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.560 -7.268 -5.027 1.00 0.60 H new ATOM 0 HG2 PRO A 17 13.013 -8.159 -6.351 1.00 0.83 H new ATOM 0 HG3 PRO A 17 14.528 -9.023 -6.180 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.442 -9.582 -4.563 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.082 -9.638 -3.947 1.00 0.63 H new ATOM 259 N PHE A 18 13.313 -4.261 -4.424 1.00 0.41 N ATOM 260 CA PHE A 18 12.529 -3.066 -4.710 1.00 0.37 C ATOM 261 C PHE A 18 11.910 -3.108 -6.104 1.00 0.36 C ATOM 262 O PHE A 18 10.789 -2.644 -6.301 1.00 0.37 O ATOM 263 CB PHE A 18 13.399 -1.814 -4.551 1.00 0.38 C ATOM 264 CG PHE A 18 12.831 -0.598 -5.222 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.806 0.124 -4.635 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.317 -0.187 -6.452 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.274 1.231 -5.267 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.795 0.919 -7.085 1.00 0.36 C ATOM 269 CZ PHE A 18 11.769 1.630 -6.494 1.00 0.37 C ATOM 0 H PHE A 18 14.300 -4.076 -4.246 1.00 0.41 H new ATOM 0 HA PHE A 18 11.710 -3.030 -3.992 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.530 -1.605 -3.489 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.389 -2.015 -4.960 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.419 -0.181 -3.674 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.116 -0.741 -6.921 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.471 1.785 -4.802 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.187 1.230 -8.042 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.355 2.496 -6.989 1.00 0.37 H new ATOM 279 N TYR A 19 12.624 -3.674 -7.067 1.00 0.38 N ATOM 280 CA TYR A 19 12.122 -3.718 -8.436 1.00 0.41 C ATOM 281 C TYR A 19 11.154 -4.872 -8.641 1.00 0.44 C ATOM 282 O TYR A 19 10.816 -5.224 -9.769 1.00 0.52 O ATOM 283 CB TYR A 19 13.268 -3.781 -9.445 1.00 0.45 C ATOM 284 CG TYR A 19 13.925 -2.439 -9.664 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.371 -1.516 -10.542 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.082 -2.085 -8.987 1.00 0.58 C ATOM 287 CE1 TYR A 19 13.951 -0.280 -10.738 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.667 -0.847 -9.175 1.00 0.64 C ATOM 289 CZ TYR A 19 15.098 0.050 -10.053 1.00 0.57 C ATOM 290 OH TYR A 19 15.676 1.287 -10.241 1.00 0.65 O ATOM 0 H TYR A 19 13.539 -4.103 -6.931 1.00 0.38 H new ATOM 0 HA TYR A 19 11.573 -2.792 -8.608 1.00 0.41 H new ATOM 0 HB2 TYR A 19 14.015 -4.494 -9.096 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.889 -4.155 -10.396 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.470 -1.771 -11.081 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.533 -2.788 -8.302 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.507 0.425 -11.425 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.565 -0.584 -8.637 1.00 0.64 H new ATOM 0 HH TYR A 19 16.478 1.362 -9.683 1.00 0.65 H new ATOM 300 N ASN A 20 10.713 -5.462 -7.545 1.00 0.44 N ATOM 301 CA ASN A 20 9.632 -6.425 -7.592 1.00 0.48 C ATOM 302 C ASN A 20 8.334 -5.699 -7.254 1.00 0.42 C ATOM 303 O ASN A 20 8.321 -4.802 -6.410 1.00 0.52 O ATOM 304 CB ASN A 20 9.916 -7.597 -6.637 1.00 0.61 C ATOM 305 CG ASN A 20 8.916 -7.732 -5.502 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.910 -8.428 -5.626 1.00 2.07 O ATOM 307 ND2 ASN A 20 9.197 -7.088 -4.382 1.00 0.69 N ATOM 0 H ASN A 20 11.088 -5.290 -6.612 1.00 0.44 H new ATOM 0 HA ASN A 20 9.541 -6.857 -8.589 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.925 -8.524 -7.210 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.913 -7.473 -6.215 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.569 -7.159 -3.582 1.00 0.69 H new ATOM 0 HD22 ASN A 20 10.042 -6.520 -4.318 1.00 0.69 H new ATOM 314 N PRO A 21 7.238 -6.032 -7.934 1.00 0.41 N ATOM 315 CA PRO A 21 5.967 -5.334 -7.756 1.00 0.38 C ATOM 316 C PRO A 21 5.314 -5.632 -6.408 1.00 0.35 C ATOM 317 O PRO A 21 5.351 -6.764 -5.932 1.00 0.42 O ATOM 318 CB PRO A 21 5.099 -5.860 -8.898 1.00 0.44 C ATOM 319 CG PRO A 21 5.688 -7.177 -9.276 1.00 0.62 C ATOM 320 CD PRO A 21 7.149 -7.124 -8.919 1.00 0.57 C ATOM 0 HA PRO A 21 6.101 -4.252 -7.770 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.061 -5.971 -8.583 1.00 0.44 H new ATOM 0 HB3 PRO A 21 5.104 -5.172 -9.743 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.190 -7.989 -8.745 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.558 -7.366 -10.342 1.00 0.62 H new ATOM 0 HD2 PRO A 21 7.491 -8.069 -8.498 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.766 -6.923 -9.794 1.00 0.57 H new ATOM 328 N PHE A 22 4.734 -4.603 -5.791 1.00 0.33 N ATOM 329 CA PHE A 22 3.986 -4.776 -4.552 1.00 0.34 C ATOM 330 C PHE A 22 2.830 -5.740 -4.780 1.00 0.33 C ATOM 331 O PHE A 22 2.102 -5.627 -5.770 1.00 0.41 O ATOM 332 CB PHE A 22 3.460 -3.433 -4.032 1.00 0.37 C ATOM 333 CG PHE A 22 4.511 -2.582 -3.370 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.781 -2.724 -2.018 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.224 -1.639 -4.095 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.743 -1.946 -1.404 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.186 -0.858 -3.485 1.00 0.57 C ATOM 338 CZ PHE A 22 6.446 -1.012 -2.138 1.00 0.58 C ATOM 0 H PHE A 22 4.769 -3.642 -6.131 1.00 0.33 H new ATOM 0 HA PHE A 22 4.658 -5.188 -3.799 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.027 -2.877 -4.863 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.656 -3.620 -3.320 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.233 -3.451 -1.438 1.00 0.43 H new ATOM 0 HD2 PHE A 22 5.025 -1.514 -5.149 1.00 0.49 H new ATOM 0 HE1 PHE A 22 5.945 -2.068 -0.350 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.734 -0.127 -4.061 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.198 -0.403 -1.659 1.00 0.58 H new ATOM 348 N GLN A 23 2.683 -6.689 -3.872 1.00 0.31 N ATOM 349 CA GLN A 23 1.685 -7.733 -3.998 1.00 0.34 C ATOM 350 C GLN A 23 0.798 -7.752 -2.767 1.00 0.33 C ATOM 351 O GLN A 23 1.236 -8.138 -1.682 1.00 0.38 O ATOM 352 CB GLN A 23 2.356 -9.101 -4.166 1.00 0.45 C ATOM 353 CG GLN A 23 3.284 -9.181 -5.357 1.00 0.97 C ATOM 354 CD GLN A 23 3.934 -10.542 -5.508 1.00 0.90 C ATOM 355 OE1 GLN A 23 3.384 -11.444 -6.139 1.00 1.41 O ATOM 356 NE2 GLN A 23 5.128 -10.685 -4.955 1.00 1.13 N ATOM 0 H GLN A 23 3.252 -6.756 -3.028 1.00 0.31 H new ATOM 0 HA GLN A 23 1.079 -7.526 -4.880 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.919 -9.333 -3.262 1.00 0.45 H new ATOM 0 HB3 GLN A 23 1.584 -9.864 -4.266 1.00 0.45 H new ATOM 0 HG2 GLN A 23 2.725 -8.949 -6.263 1.00 0.97 H new ATOM 0 HG3 GLN A 23 4.060 -8.422 -5.258 1.00 0.97 H new ATOM 0 HE21 GLN A 23 5.548 -9.911 -4.440 1.00 1.13 H new ATOM 0 HE22 GLN A 23 5.629 -11.569 -5.044 1.00 1.13 H new ATOM 365 N PHE A 24 -0.439 -7.335 -2.935 1.00 0.31 N ATOM 366 CA PHE A 24 -1.385 -7.316 -1.838 1.00 0.33 C ATOM 367 C PHE A 24 -2.588 -8.188 -2.146 1.00 0.36 C ATOM 368 O PHE A 24 -3.285 -7.973 -3.134 1.00 0.50 O ATOM 369 CB PHE A 24 -1.856 -5.892 -1.562 1.00 0.31 C ATOM 370 CG PHE A 24 -0.788 -4.997 -1.011 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.542 -4.966 0.348 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.041 -4.183 -1.843 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.429 -4.138 0.871 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.934 -3.352 -1.329 1.00 0.32 C ATOM 375 CZ PHE A 24 1.170 -3.327 0.030 1.00 0.30 C ATOM 0 H PHE A 24 -0.814 -7.003 -3.824 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.877 -7.707 -0.956 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.237 -5.460 -2.487 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.688 -5.925 -0.859 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -1.117 -5.598 1.009 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.223 -4.198 -2.908 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.611 -4.123 1.935 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.511 -2.722 -1.990 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.931 -2.677 0.436 1.00 0.30 H new ATOM 385 N GLU A 25 -2.832 -9.165 -1.296 1.00 0.31 N ATOM 386 CA GLU A 25 -4.028 -9.977 -1.415 1.00 0.34 C ATOM 387 C GLU A 25 -5.092 -9.400 -0.510 1.00 0.32 C ATOM 388 O GLU A 25 -5.085 -9.616 0.706 1.00 0.35 O ATOM 389 CB GLU A 25 -3.770 -11.444 -1.068 1.00 0.43 C ATOM 390 CG GLU A 25 -2.959 -12.187 -2.117 1.00 0.97 C ATOM 391 CD GLU A 25 -2.937 -13.682 -1.880 1.00 1.43 C ATOM 392 OE1 GLU A 25 -2.200 -14.135 -0.985 1.00 1.72 O ATOM 393 OE2 GLU A 25 -3.661 -14.415 -2.594 1.00 1.98 O ATOM 0 H GLU A 25 -2.222 -9.416 -0.518 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.359 -9.957 -2.453 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -3.247 -11.496 -0.113 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -4.726 -11.950 -0.935 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -3.375 -11.985 -3.104 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -1.937 -11.807 -2.118 1.00 0.97 H new ATOM 400 N ILE A 26 -5.976 -8.630 -1.109 1.00 0.30 N ATOM 401 CA ILE A 26 -6.973 -7.889 -0.367 1.00 0.30 C ATOM 402 C ILE A 26 -8.305 -8.628 -0.352 1.00 0.29 C ATOM 403 O ILE A 26 -8.962 -8.776 -1.383 1.00 0.32 O ATOM 404 CB ILE A 26 -7.164 -6.489 -0.977 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.836 -5.728 -0.979 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.225 -5.713 -0.209 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.876 -4.444 -1.778 1.00 0.29 C ATOM 0 H ILE A 26 -6.024 -8.501 -2.120 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.620 -7.789 0.659 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.502 -6.600 -2.007 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.557 -5.498 0.049 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.057 -6.374 -1.384 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.347 -4.725 -0.654 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.172 -6.250 -0.253 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.916 -5.607 0.831 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.901 -3.958 -1.735 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.124 -4.669 -2.815 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.632 -3.779 -1.360 1.00 0.29 H new ATOM 419 N THR A 27 -8.684 -9.107 0.820 1.00 0.31 N ATOM 420 CA THR A 27 -9.962 -9.766 1.002 1.00 0.30 C ATOM 421 C THR A 27 -10.933 -8.830 1.713 1.00 0.27 C ATOM 422 O THR A 27 -10.831 -8.611 2.928 1.00 0.29 O ATOM 423 CB THR A 27 -9.794 -11.046 1.839 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.702 -11.815 1.330 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.062 -11.887 1.825 1.00 0.34 C ATOM 0 H THR A 27 -8.117 -9.050 1.666 1.00 0.31 H new ATOM 0 HA THR A 27 -10.355 -10.029 0.020 1.00 0.30 H new ATOM 0 HB THR A 27 -9.592 -10.753 2.869 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.597 -12.629 1.866 1.00 0.46 H new ATOM 0 HG21 THR A 27 -10.910 -12.784 2.425 1.00 0.34 H new ATOM 0 HG22 THR A 27 -11.887 -11.308 2.240 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.298 -12.172 0.800 1.00 0.34 H new ATOM 433 N PHE A 28 -11.880 -8.291 0.964 1.00 0.23 N ATOM 434 CA PHE A 28 -12.852 -7.373 1.518 1.00 0.22 C ATOM 435 C PHE A 28 -14.252 -7.913 1.292 1.00 0.21 C ATOM 436 O PHE A 28 -14.584 -8.387 0.208 1.00 0.20 O ATOM 437 CB PHE A 28 -12.695 -5.978 0.904 1.00 0.21 C ATOM 438 CG PHE A 28 -13.053 -5.891 -0.554 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.156 -6.283 -1.536 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.290 -5.406 -0.941 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.491 -6.192 -2.873 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.628 -5.310 -2.272 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.729 -5.704 -3.242 1.00 0.28 C ATOM 0 H PHE A 28 -11.994 -8.476 -0.033 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.681 -7.281 2.591 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.319 -5.278 1.460 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.662 -5.654 1.031 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.186 -6.663 -1.253 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -15.000 -5.098 -0.188 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.785 -6.502 -3.629 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.597 -4.926 -2.557 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.993 -5.631 -4.287 1.00 0.28 H new ATOM 453 N GLU A 29 -15.065 -7.858 2.320 1.00 0.22 N ATOM 454 CA GLU A 29 -16.399 -8.407 2.251 1.00 0.23 C ATOM 455 C GLU A 29 -17.415 -7.289 2.119 1.00 0.25 C ATOM 456 O GLU A 29 -17.528 -6.431 2.996 1.00 0.29 O ATOM 457 CB GLU A 29 -16.681 -9.254 3.489 1.00 0.26 C ATOM 458 CG GLU A 29 -18.014 -9.982 3.460 1.00 0.33 C ATOM 459 CD GLU A 29 -18.176 -10.916 4.640 1.00 0.41 C ATOM 460 OE1 GLU A 29 -17.694 -12.061 4.561 1.00 0.67 O ATOM 461 OE2 GLU A 29 -18.804 -10.512 5.645 1.00 0.77 O ATOM 0 H GLU A 29 -14.825 -7.437 3.218 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.477 -9.047 1.372 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.883 -9.987 3.602 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.651 -8.611 4.369 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.825 -9.254 3.460 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.096 -10.551 2.534 1.00 0.33 H new ATOM 468 N CYS A 30 -18.119 -7.282 1.004 1.00 0.24 N ATOM 469 CA CYS A 30 -19.176 -6.322 0.790 1.00 0.28 C ATOM 470 C CYS A 30 -20.386 -6.720 1.612 1.00 0.33 C ATOM 471 O CYS A 30 -21.043 -7.722 1.325 1.00 0.35 O ATOM 472 CB CYS A 30 -19.539 -6.246 -0.690 1.00 0.29 C ATOM 473 SG CYS A 30 -18.141 -5.863 -1.764 1.00 0.51 S ATOM 0 H CYS A 30 -17.975 -7.933 0.232 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.834 -5.336 1.104 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.971 -7.198 -0.998 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.309 -5.487 -0.827 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.167 -4.601 -2.076 1.00 0.51 H new ATOM 479 N ILE A 31 -20.645 -5.961 2.658 1.00 0.39 N ATOM 480 CA ILE A 31 -21.775 -6.223 3.532 1.00 0.45 C ATOM 481 C ILE A 31 -23.058 -5.794 2.829 1.00 0.48 C ATOM 482 O ILE A 31 -24.149 -6.288 3.115 1.00 0.53 O ATOM 483 CB ILE A 31 -21.627 -5.467 4.871 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.181 -5.557 5.377 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.581 -6.045 5.908 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.928 -4.783 6.655 1.00 0.52 C ATOM 0 H ILE A 31 -20.085 -5.152 2.926 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.811 -7.290 3.752 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.876 -4.418 4.708 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.929 -6.604 5.542 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.511 -5.187 4.601 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.468 -5.504 6.848 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.607 -5.946 5.554 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.352 -7.099 6.066 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.884 -4.896 6.948 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.147 -3.728 6.491 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.571 -5.168 7.447 1.00 0.52 H new ATOM 498 N GLU A 32 -22.891 -4.887 1.878 1.00 0.49 N ATOM 499 CA GLU A 32 -23.990 -4.351 1.092 1.00 0.53 C ATOM 500 C GLU A 32 -23.569 -4.269 -0.368 1.00 0.52 C ATOM 501 O GLU A 32 -22.417 -4.553 -0.697 1.00 0.51 O ATOM 502 CB GLU A 32 -24.350 -2.951 1.581 1.00 0.60 C ATOM 503 CG GLU A 32 -24.883 -2.893 2.999 1.00 0.84 C ATOM 504 CD GLU A 32 -26.318 -3.356 3.094 1.00 1.25 C ATOM 505 OE1 GLU A 32 -27.168 -2.801 2.368 1.00 1.53 O ATOM 506 OE2 GLU A 32 -26.607 -4.253 3.909 1.00 1.83 O ATOM 0 H GLU A 32 -21.981 -4.500 1.629 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.855 -5.005 1.199 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.465 -2.319 1.514 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.096 -2.527 0.909 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -24.260 -3.513 3.644 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.808 -1.871 3.371 1.00 0.84 H new ATOM 513 N ASP A 33 -24.491 -3.880 -1.232 1.00 0.62 N ATOM 514 CA ASP A 33 -24.158 -3.620 -2.625 1.00 0.65 C ATOM 515 C ASP A 33 -23.802 -2.150 -2.785 1.00 0.65 C ATOM 516 O ASP A 33 -24.482 -1.274 -2.245 1.00 0.79 O ATOM 517 CB ASP A 33 -25.322 -3.982 -3.552 1.00 0.76 C ATOM 518 CG ASP A 33 -25.649 -5.462 -3.535 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.923 -6.240 -4.190 1.00 2.01 O ATOM 520 OD2 ASP A 33 -26.620 -5.858 -2.851 1.00 2.18 O ATOM 0 H ASP A 33 -25.473 -3.737 -0.996 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.307 -4.242 -2.903 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -26.205 -3.416 -3.256 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.077 -3.681 -4.570 1.00 0.76 H new ATOM 525 N LEU A 34 -22.730 -1.873 -3.509 1.00 0.57 N ATOM 526 CA LEU A 34 -22.256 -0.508 -3.650 1.00 0.57 C ATOM 527 C LEU A 34 -22.686 0.088 -4.982 1.00 0.64 C ATOM 528 O LEU A 34 -22.701 -0.594 -6.010 1.00 0.71 O ATOM 529 CB LEU A 34 -20.730 -0.435 -3.498 1.00 0.55 C ATOM 530 CG LEU A 34 -20.187 -0.785 -2.105 1.00 0.81 C ATOM 531 CD1 LEU A 34 -20.199 -2.286 -1.864 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.786 -0.233 -1.928 1.00 1.41 C ATOM 0 H LEU A 34 -22.175 -2.571 -4.005 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.708 0.081 -2.852 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.277 -1.109 -4.225 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.405 0.574 -3.753 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.844 -0.324 -1.367 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.808 -2.498 -0.869 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -21.221 -2.658 -1.940 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.577 -2.779 -2.611 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.416 -0.490 -0.935 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.128 -0.663 -2.683 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.806 0.851 -2.038 1.00 1.41 H new ATOM 544 N SER A 35 -23.039 1.367 -4.950 1.00 0.75 N ATOM 545 CA SER A 35 -23.499 2.071 -6.134 1.00 0.89 C ATOM 546 C SER A 35 -22.315 2.494 -6.990 1.00 0.75 C ATOM 547 O SER A 35 -22.314 2.315 -8.209 1.00 0.92 O ATOM 548 CB SER A 35 -24.313 3.305 -5.722 1.00 1.14 C ATOM 549 OG SER A 35 -24.726 4.058 -6.851 1.00 1.55 O ATOM 0 H SER A 35 -23.014 1.940 -4.107 1.00 0.75 H new ATOM 0 HA SER A 35 -24.131 1.402 -6.717 1.00 0.89 H new ATOM 0 HB2 SER A 35 -25.188 2.991 -5.153 1.00 1.14 H new ATOM 0 HB3 SER A 35 -23.714 3.934 -5.064 1.00 1.14 H new ATOM 0 HG SER A 35 -24.010 4.674 -7.113 1.00 1.55 H new ATOM 555 N GLU A 36 -21.300 3.039 -6.336 1.00 0.61 N ATOM 556 CA GLU A 36 -20.160 3.596 -7.035 1.00 0.51 C ATOM 557 C GLU A 36 -19.033 2.581 -7.136 1.00 0.44 C ATOM 558 O GLU A 36 -19.114 1.483 -6.579 1.00 0.53 O ATOM 559 CB GLU A 36 -19.673 4.850 -6.315 1.00 0.63 C ATOM 560 CG GLU A 36 -20.786 5.834 -6.012 1.00 1.48 C ATOM 561 CD GLU A 36 -21.520 6.308 -7.247 1.00 2.16 C ATOM 562 OE1 GLU A 36 -20.971 7.161 -7.979 1.00 2.95 O ATOM 563 OE2 GLU A 36 -22.641 5.817 -7.501 1.00 2.46 O ATOM 0 H GLU A 36 -21.246 3.106 -5.320 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.472 3.858 -8.046 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -19.188 4.561 -5.382 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -18.918 5.343 -6.927 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -21.498 5.368 -5.331 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -20.367 6.697 -5.493 1.00 1.48 H new ATOM 570 N ASP A 37 -17.992 2.956 -7.854 1.00 0.37 N ATOM 571 CA ASP A 37 -16.815 2.120 -7.995 1.00 0.36 C ATOM 572 C ASP A 37 -15.799 2.455 -6.914 1.00 0.35 C ATOM 573 O ASP A 37 -15.587 3.622 -6.587 1.00 0.50 O ATOM 574 CB ASP A 37 -16.199 2.285 -9.393 1.00 0.49 C ATOM 575 CG ASP A 37 -16.000 3.733 -9.801 1.00 0.92 C ATOM 576 OD1 ASP A 37 -17.010 4.426 -10.066 1.00 1.88 O ATOM 577 OD2 ASP A 37 -14.842 4.176 -9.904 1.00 1.30 O ATOM 0 H ASP A 37 -17.938 3.844 -8.354 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.112 1.078 -7.878 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.237 1.773 -9.420 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -16.842 1.795 -10.124 1.00 0.49 H new ATOM 582 N LEU A 38 -15.185 1.425 -6.349 1.00 0.30 N ATOM 583 CA LEU A 38 -14.212 1.619 -5.282 1.00 0.31 C ATOM 584 C LEU A 38 -12.858 1.976 -5.848 1.00 0.28 C ATOM 585 O LEU A 38 -12.301 1.230 -6.651 1.00 0.29 O ATOM 586 CB LEU A 38 -14.051 0.367 -4.422 1.00 0.39 C ATOM 587 CG LEU A 38 -15.230 0.001 -3.530 1.00 0.42 C ATOM 588 CD1 LEU A 38 -14.782 -0.912 -2.404 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.892 1.249 -2.972 1.00 1.32 C ATOM 0 H LEU A 38 -15.342 0.451 -6.609 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.591 2.433 -4.664 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -13.847 -0.476 -5.082 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -13.172 0.497 -3.790 1.00 0.39 H new ATOM 0 HG LEU A 38 -15.963 -0.531 -4.136 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -15.637 -1.163 -1.777 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -14.358 -1.825 -2.823 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -14.028 -0.405 -1.802 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -16.731 0.963 -2.338 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.168 1.813 -2.383 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.252 1.868 -3.794 1.00 1.32 H new ATOM 601 N GLU A 39 -12.328 3.102 -5.414 1.00 0.30 N ATOM 602 CA GLU A 39 -11.003 3.521 -5.828 1.00 0.32 C ATOM 603 C GLU A 39 -9.960 2.974 -4.861 1.00 0.31 C ATOM 604 O GLU A 39 -9.764 3.518 -3.772 1.00 0.43 O ATOM 605 CB GLU A 39 -10.916 5.045 -5.896 1.00 0.42 C ATOM 606 CG GLU A 39 -9.566 5.556 -6.372 1.00 0.50 C ATOM 607 CD GLU A 39 -9.483 7.066 -6.371 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.108 7.644 -5.331 1.00 0.73 O ATOM 609 OE2 GLU A 39 -9.772 7.683 -7.417 1.00 0.92 O ATOM 0 H GLU A 39 -12.795 3.744 -4.774 1.00 0.30 H new ATOM 0 HA GLU A 39 -10.807 3.124 -6.824 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.692 5.416 -6.566 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.124 5.457 -4.908 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.782 5.152 -5.731 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.376 5.186 -7.380 1.00 0.50 H new ATOM 616 N TRP A 40 -9.330 1.877 -5.247 1.00 0.24 N ATOM 617 CA TRP A 40 -8.267 1.281 -4.453 1.00 0.23 C ATOM 618 C TRP A 40 -6.922 1.801 -4.936 1.00 0.24 C ATOM 619 O TRP A 40 -6.506 1.513 -6.055 1.00 0.28 O ATOM 620 CB TRP A 40 -8.299 -0.253 -4.556 1.00 0.24 C ATOM 621 CG TRP A 40 -9.590 -0.873 -4.096 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.772 -0.920 -4.781 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.822 -1.560 -2.861 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.719 -1.577 -4.041 1.00 0.27 N ATOM 625 CE2 TRP A 40 -11.168 -1.974 -2.861 1.00 0.25 C ATOM 626 CE3 TRP A 40 -9.032 -1.855 -1.748 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.737 -2.670 -1.806 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.599 -2.549 -0.695 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.942 -2.946 -0.727 1.00 0.40 C ATOM 0 H TRP A 40 -9.538 1.378 -6.112 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.416 1.557 -3.409 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.119 -0.541 -5.592 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.480 -0.663 -3.965 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.935 -0.500 -5.763 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.684 -1.743 -4.328 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.998 -1.547 -1.710 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.770 -2.983 -1.835 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.995 -2.789 0.168 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.357 -3.480 0.115 1.00 0.40 H new ATOM 640 N LYS A 41 -6.256 2.588 -4.113 1.00 0.25 N ATOM 641 CA LYS A 41 -4.959 3.139 -4.477 1.00 0.25 C ATOM 642 C LYS A 41 -3.860 2.608 -3.579 1.00 0.23 C ATOM 643 O LYS A 41 -4.070 2.392 -2.389 1.00 0.27 O ATOM 644 CB LYS A 41 -4.964 4.662 -4.378 1.00 0.37 C ATOM 645 CG LYS A 41 -5.581 5.379 -5.564 1.00 0.63 C ATOM 646 CD LYS A 41 -5.466 6.884 -5.389 1.00 0.65 C ATOM 647 CE LYS A 41 -6.134 7.647 -6.520 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.150 9.110 -6.257 1.00 1.23 N ATOM 0 H LYS A 41 -6.589 2.862 -3.188 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.767 2.834 -5.506 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -5.504 4.951 -3.477 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -3.937 5.007 -4.258 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.080 5.074 -6.483 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.629 5.097 -5.663 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -5.919 7.173 -4.441 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.413 7.162 -5.337 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.607 7.450 -7.454 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.155 7.288 -6.648 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -6.613 9.600 -7.049 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.674 9.299 -5.379 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.174 9.456 -6.159 1.00 1.23 H new ATOM 662 N ILE A 42 -2.684 2.407 -4.150 1.00 0.22 N ATOM 663 CA ILE A 42 -1.503 2.138 -3.355 1.00 0.24 C ATOM 664 C ILE A 42 -0.629 3.380 -3.327 1.00 0.25 C ATOM 665 O ILE A 42 0.113 3.652 -4.272 1.00 0.31 O ATOM 666 CB ILE A 42 -0.673 0.945 -3.877 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.500 -0.342 -3.853 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.592 0.779 -3.046 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.678 -1.593 -4.074 1.00 0.46 C ATOM 0 H ILE A 42 -2.524 2.425 -5.157 1.00 0.22 H new ATOM 0 HA ILE A 42 -1.846 1.872 -2.355 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.389 1.149 -4.909 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.011 -0.418 -2.893 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.271 -0.283 -4.621 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.168 -0.065 -3.425 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.192 1.686 -3.112 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.323 0.597 -2.006 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.329 -2.466 -4.044 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.188 -1.539 -5.046 1.00 0.46 H new ATOM 0 HD13 ILE A 42 0.076 -1.676 -3.291 1.00 0.46 H new ATOM 681 N ILE A 43 -0.752 4.147 -2.263 1.00 0.24 N ATOM 682 CA ILE A 43 0.030 5.353 -2.102 1.00 0.27 C ATOM 683 C ILE A 43 1.319 5.025 -1.369 1.00 0.26 C ATOM 684 O ILE A 43 1.311 4.733 -0.171 1.00 0.30 O ATOM 685 CB ILE A 43 -0.744 6.437 -1.323 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.089 6.720 -1.999 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.082 7.711 -1.221 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.932 7.748 -1.275 1.00 0.69 C ATOM 0 H ILE A 43 -1.391 3.953 -1.492 1.00 0.24 H new ATOM 0 HA ILE A 43 0.249 5.746 -3.095 1.00 0.27 H new ATOM 0 HB ILE A 43 -0.935 6.071 -0.314 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.908 7.064 -3.017 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.651 5.789 -2.072 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.479 8.465 -0.669 1.00 0.39 H new ATOM 0 HG22 ILE A 43 1.015 7.499 -0.700 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.302 8.083 -2.222 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.868 7.895 -1.813 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.145 7.398 -0.265 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.390 8.693 -1.225 1.00 0.69 H new ATOM 700 N TYR A 44 2.417 5.029 -2.095 1.00 0.29 N ATOM 701 CA TYR A 44 3.707 4.746 -1.503 1.00 0.29 C ATOM 702 C TYR A 44 4.390 6.053 -1.127 1.00 0.28 C ATOM 703 O TYR A 44 4.388 7.006 -1.909 1.00 0.33 O ATOM 704 CB TYR A 44 4.570 3.933 -2.479 1.00 0.32 C ATOM 705 CG TYR A 44 5.907 3.497 -1.916 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.992 2.424 -1.039 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.081 4.153 -2.262 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.207 2.016 -0.524 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.302 3.748 -1.753 1.00 0.45 C ATOM 710 CZ TYR A 44 8.359 2.681 -0.884 1.00 0.49 C ATOM 711 OH TYR A 44 9.572 2.272 -0.375 1.00 0.59 O ATOM 0 H TYR A 44 2.442 5.225 -3.096 1.00 0.29 H new ATOM 0 HA TYR A 44 3.572 4.151 -0.600 1.00 0.29 H new ATOM 0 HB2 TYR A 44 4.013 3.048 -2.787 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.743 4.529 -3.375 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.092 1.899 -0.754 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.040 4.993 -2.940 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.254 1.180 0.158 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.206 4.266 -2.036 1.00 0.45 H new ATOM 0 HH TYR A 44 10.285 2.845 -0.728 1.00 0.59 H new ATOM 721 N VAL A 45 4.932 6.111 0.084 1.00 0.27 N ATOM 722 CA VAL A 45 5.650 7.294 0.544 1.00 0.28 C ATOM 723 C VAL A 45 6.798 7.621 -0.400 1.00 0.30 C ATOM 724 O VAL A 45 7.694 6.806 -0.605 1.00 0.36 O ATOM 725 CB VAL A 45 6.204 7.104 1.975 1.00 0.32 C ATOM 726 CG1 VAL A 45 7.097 8.265 2.387 1.00 0.37 C ATOM 727 CG2 VAL A 45 5.073 6.936 2.971 1.00 0.34 C ATOM 0 H VAL A 45 4.888 5.353 0.765 1.00 0.27 H new ATOM 0 HA VAL A 45 4.938 8.119 0.556 1.00 0.28 H new ATOM 0 HB VAL A 45 6.809 6.197 1.973 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.468 8.097 3.398 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.939 8.338 1.699 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.524 9.192 2.360 1.00 0.37 H new ATOM 0 HG21 VAL A 45 5.486 6.804 3.971 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.439 7.822 2.954 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.480 6.061 2.704 1.00 0.34 H new ATOM 737 N GLY A 46 6.738 8.801 -0.995 1.00 0.32 N ATOM 738 CA GLY A 46 7.798 9.235 -1.877 1.00 0.39 C ATOM 739 C GLY A 46 9.068 9.533 -1.120 1.00 0.41 C ATOM 740 O GLY A 46 10.048 8.808 -1.240 1.00 0.47 O ATOM 0 H GLY A 46 5.973 9.466 -0.883 1.00 0.32 H new ATOM 0 HA2 GLY A 46 7.991 8.462 -2.621 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.479 10.126 -2.418 1.00 0.39 H new ATOM 744 N SER A 47 9.040 10.583 -0.316 1.00 0.43 N ATOM 745 CA SER A 47 10.202 10.994 0.438 1.00 0.48 C ATOM 746 C SER A 47 9.860 11.126 1.917 1.00 0.51 C ATOM 747 O SER A 47 8.730 11.453 2.272 1.00 0.49 O ATOM 748 CB SER A 47 10.733 12.325 -0.106 1.00 0.53 C ATOM 749 OG SER A 47 11.891 12.756 0.594 1.00 1.23 O ATOM 0 H SER A 47 8.216 11.167 -0.171 1.00 0.43 H new ATOM 0 HA SER A 47 10.976 10.234 0.332 1.00 0.48 H new ATOM 0 HB2 SER A 47 10.967 12.217 -1.165 1.00 0.53 H new ATOM 0 HB3 SER A 47 9.956 13.086 -0.027 1.00 0.53 H new ATOM 0 HG SER A 47 12.534 13.135 -0.040 1.00 1.23 H new ATOM 755 N ALA A 48 10.831 10.840 2.772 1.00 0.62 N ATOM 756 CA ALA A 48 10.699 11.109 4.194 1.00 0.70 C ATOM 757 C ALA A 48 11.088 12.550 4.468 1.00 0.75 C ATOM 758 O ALA A 48 10.656 13.156 5.449 1.00 0.82 O ATOM 759 CB ALA A 48 11.573 10.168 5.001 1.00 0.81 C ATOM 0 H ALA A 48 11.721 10.420 2.503 1.00 0.62 H new ATOM 0 HA ALA A 48 9.663 10.947 4.492 1.00 0.70 H new ATOM 0 HB1 ALA A 48 11.459 10.386 6.063 1.00 0.81 H new ATOM 0 HB2 ALA A 48 11.273 9.138 4.808 1.00 0.81 H new ATOM 0 HB3 ALA A 48 12.616 10.303 4.713 1.00 0.81 H new ATOM 765 N GLU A 49 11.913 13.086 3.577 1.00 0.75 N ATOM 766 CA GLU A 49 12.335 14.469 3.652 1.00 0.83 C ATOM 767 C GLU A 49 11.112 15.358 3.481 1.00 0.82 C ATOM 768 O GLU A 49 10.937 16.353 4.183 1.00 0.93 O ATOM 769 CB GLU A 49 13.372 14.752 2.565 1.00 0.90 C ATOM 770 CG GLU A 49 13.974 16.140 2.638 1.00 1.06 C ATOM 771 CD GLU A 49 14.869 16.330 3.843 1.00 1.48 C ATOM 772 OE1 GLU A 49 16.057 15.958 3.766 1.00 1.96 O ATOM 773 OE2 GLU A 49 14.387 16.843 4.874 1.00 1.99 O ATOM 0 H GLU A 49 12.304 12.572 2.787 1.00 0.75 H new ATOM 0 HA GLU A 49 12.795 14.674 4.618 1.00 0.83 H new ATOM 0 HB2 GLU A 49 14.172 14.015 2.639 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.906 14.620 1.589 1.00 0.90 H new ATOM 0 HG2 GLU A 49 14.548 16.330 1.731 1.00 1.06 H new ATOM 0 HG3 GLU A 49 13.172 16.878 2.667 1.00 1.06 H new ATOM 780 N SER A 50 10.264 14.966 2.544 1.00 0.74 N ATOM 781 CA SER A 50 8.957 15.559 2.391 1.00 0.79 C ATOM 782 C SER A 50 7.969 14.473 1.996 1.00 0.75 C ATOM 783 O SER A 50 8.003 13.966 0.872 1.00 1.26 O ATOM 784 CB SER A 50 8.981 16.682 1.354 1.00 0.96 C ATOM 785 OG SER A 50 7.692 17.242 1.171 1.00 1.72 O ATOM 0 H SER A 50 10.468 14.227 1.871 1.00 0.74 H new ATOM 0 HA SER A 50 8.648 16.003 3.337 1.00 0.79 H new ATOM 0 HB2 SER A 50 9.676 17.459 1.673 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.350 16.295 0.404 1.00 0.96 H new ATOM 0 HG SER A 50 7.738 17.958 0.504 1.00 1.72 H new ATOM 791 N GLU A 51 7.100 14.108 2.926 1.00 0.78 N ATOM 792 CA GLU A 51 6.136 13.040 2.697 1.00 0.71 C ATOM 793 C GLU A 51 4.993 13.512 1.803 1.00 0.74 C ATOM 794 O GLU A 51 4.044 12.773 1.542 1.00 0.80 O ATOM 795 CB GLU A 51 5.608 12.463 4.023 1.00 0.85 C ATOM 796 CG GLU A 51 5.572 13.440 5.196 1.00 1.46 C ATOM 797 CD GLU A 51 4.644 14.617 4.982 1.00 1.68 C ATOM 798 OE1 GLU A 51 3.429 14.480 5.248 1.00 2.09 O ATOM 799 OE2 GLU A 51 5.128 15.694 4.580 1.00 2.02 O ATOM 0 H GLU A 51 7.042 14.537 3.850 1.00 0.78 H new ATOM 0 HA GLU A 51 6.655 12.235 2.176 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.600 12.083 3.858 1.00 0.85 H new ATOM 0 HB3 GLU A 51 6.228 11.611 4.301 1.00 0.85 H new ATOM 0 HG2 GLU A 51 5.263 12.904 6.094 1.00 1.46 H new ATOM 0 HG3 GLU A 51 6.580 13.812 5.378 1.00 1.46 H new ATOM 806 N GLU A 52 5.109 14.740 1.320 1.00 0.78 N ATOM 807 CA GLU A 52 4.168 15.278 0.354 1.00 0.89 C ATOM 808 C GLU A 52 4.525 14.781 -1.048 1.00 0.78 C ATOM 809 O GLU A 52 3.769 14.961 -2.001 1.00 0.85 O ATOM 810 CB GLU A 52 4.183 16.804 0.408 1.00 1.09 C ATOM 811 CG GLU A 52 3.072 17.457 -0.376 1.00 1.70 C ATOM 812 CD GLU A 52 3.115 18.964 -0.292 1.00 2.16 C ATOM 813 OE1 GLU A 52 2.585 19.525 0.690 1.00 2.83 O ATOM 814 OE2 GLU A 52 3.671 19.596 -1.210 1.00 2.43 O ATOM 0 H GLU A 52 5.853 15.386 1.585 1.00 0.78 H new ATOM 0 HA GLU A 52 3.162 14.935 0.597 1.00 0.89 H new ATOM 0 HB2 GLU A 52 4.114 17.121 1.449 1.00 1.09 H new ATOM 0 HB3 GLU A 52 5.140 17.161 0.028 1.00 1.09 H new ATOM 0 HG2 GLU A 52 3.141 17.152 -1.420 1.00 1.70 H new ATOM 0 HG3 GLU A 52 2.111 17.103 -0.003 1.00 1.70 H new ATOM 821 N TYR A 53 5.681 14.126 -1.162 1.00 0.65 N ATOM 822 CA TYR A 53 6.112 13.551 -2.432 1.00 0.61 C ATOM 823 C TYR A 53 5.544 12.154 -2.592 1.00 0.52 C ATOM 824 O TYR A 53 6.116 11.320 -3.293 1.00 0.52 O ATOM 825 CB TYR A 53 7.640 13.489 -2.521 1.00 0.62 C ATOM 826 CG TYR A 53 8.306 14.835 -2.687 1.00 0.82 C ATOM 827 CD1 TYR A 53 7.878 15.723 -3.660 1.00 1.23 C ATOM 828 CD2 TYR A 53 9.348 15.225 -1.856 1.00 0.83 C ATOM 829 CE1 TYR A 53 8.468 16.958 -3.810 1.00 1.44 C ATOM 830 CE2 TYR A 53 9.943 16.462 -1.996 1.00 1.01 C ATOM 831 CZ TYR A 53 9.561 17.292 -3.008 1.00 1.25 C ATOM 832 OH TYR A 53 10.087 18.564 -3.115 1.00 1.48 O ATOM 0 H TYR A 53 6.333 13.982 -0.391 1.00 0.65 H new ATOM 0 HA TYR A 53 5.742 14.193 -3.231 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.026 13.014 -1.619 1.00 0.62 H new ATOM 0 HB3 TYR A 53 7.918 12.852 -3.361 1.00 0.62 H new ATOM 0 HD1 TYR A 53 7.066 15.441 -4.314 1.00 1.23 H new ATOM 0 HD2 TYR A 53 9.698 14.550 -1.089 1.00 0.83 H new ATOM 0 HE1 TYR A 53 8.090 17.660 -4.539 1.00 1.44 H new ATOM 0 HE2 TYR A 53 10.712 16.773 -1.304 1.00 1.01 H new ATOM 0 HH TYR A 53 10.843 18.658 -2.498 1.00 1.48 H new ATOM 842 N ASP A 54 4.417 11.908 -1.936 1.00 0.52 N ATOM 843 CA ASP A 54 3.769 10.610 -1.995 1.00 0.52 C ATOM 844 C ASP A 54 3.455 10.245 -3.439 1.00 0.57 C ATOM 845 O ASP A 54 3.123 11.108 -4.257 1.00 0.68 O ATOM 846 CB ASP A 54 2.492 10.590 -1.146 1.00 0.65 C ATOM 847 CG ASP A 54 1.337 11.366 -1.762 1.00 0.88 C ATOM 848 OD1 ASP A 54 0.572 10.776 -2.554 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.175 12.563 -1.436 1.00 1.22 O ATOM 0 H ASP A 54 3.934 12.594 -1.356 1.00 0.52 H new ATOM 0 HA ASP A 54 4.455 9.868 -1.585 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.183 9.556 -0.994 1.00 0.65 H new ATOM 0 HB3 ASP A 54 2.713 11.005 -0.163 1.00 0.65 H new ATOM 854 N GLN A 55 3.586 8.973 -3.758 1.00 0.54 N ATOM 855 CA GLN A 55 3.393 8.517 -5.118 1.00 0.60 C ATOM 856 C GLN A 55 2.436 7.337 -5.179 1.00 0.46 C ATOM 857 O GLN A 55 2.742 6.235 -4.713 1.00 0.57 O ATOM 858 CB GLN A 55 4.740 8.167 -5.760 1.00 0.78 C ATOM 859 CG GLN A 55 5.640 7.309 -4.883 1.00 0.87 C ATOM 860 CD GLN A 55 6.991 7.048 -5.518 1.00 0.88 C ATOM 861 OE1 GLN A 55 7.114 6.983 -6.739 1.00 1.85 O ATOM 862 NE2 GLN A 55 8.014 6.887 -4.692 1.00 0.81 N ATOM 0 H GLN A 55 3.825 8.237 -3.093 1.00 0.54 H new ATOM 0 HA GLN A 55 2.941 9.331 -5.685 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.558 7.643 -6.698 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.264 9.090 -6.007 1.00 0.78 H new ATOM 0 HG2 GLN A 55 5.783 7.803 -3.922 1.00 0.87 H new ATOM 0 HG3 GLN A 55 5.147 6.358 -4.682 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.870 6.949 -3.684 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.945 6.702 -5.064 1.00 0.81 H new ATOM 871 N VAL A 56 1.260 7.593 -5.725 1.00 0.41 N ATOM 872 CA VAL A 56 0.297 6.543 -5.992 1.00 0.37 C ATOM 873 C VAL A 56 0.813 5.655 -7.113 1.00 0.36 C ATOM 874 O VAL A 56 1.060 6.122 -8.225 1.00 0.44 O ATOM 875 CB VAL A 56 -1.083 7.112 -6.386 1.00 0.50 C ATOM 876 CG1 VAL A 56 -2.066 5.988 -6.684 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.619 8.015 -5.289 1.00 1.08 C ATOM 0 H VAL A 56 0.949 8.527 -5.993 1.00 0.41 H new ATOM 0 HA VAL A 56 0.172 5.966 -5.076 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.962 7.706 -7.292 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -3.031 6.412 -6.959 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.688 5.383 -7.508 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.184 5.363 -5.799 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.592 8.407 -5.584 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.722 7.444 -4.366 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.928 8.842 -5.129 1.00 1.08 H new ATOM 887 N LEU A 57 0.993 4.387 -6.805 1.00 0.34 N ATOM 888 CA LEU A 57 1.514 3.434 -7.769 1.00 0.39 C ATOM 889 C LEU A 57 0.480 3.123 -8.835 1.00 0.36 C ATOM 890 O LEU A 57 0.705 3.341 -10.026 1.00 0.48 O ATOM 891 CB LEU A 57 1.927 2.149 -7.057 1.00 0.44 C ATOM 892 CG LEU A 57 3.106 2.302 -6.102 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.420 0.985 -5.419 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.317 2.809 -6.856 1.00 0.77 C ATOM 0 H LEU A 57 0.785 3.989 -5.889 1.00 0.34 H new ATOM 0 HA LEU A 57 2.385 3.876 -8.253 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.072 1.768 -6.499 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.179 1.399 -7.807 1.00 0.44 H new ATOM 0 HG LEU A 57 2.839 3.026 -5.332 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.264 1.118 -4.743 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.550 0.652 -4.853 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.672 0.236 -6.170 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.156 2.916 -6.168 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.580 2.100 -7.641 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.089 3.777 -7.303 1.00 0.77 H new ATOM 906 N ASP A 58 -0.660 2.631 -8.389 1.00 0.31 N ATOM 907 CA ASP A 58 -1.722 2.225 -9.289 1.00 0.35 C ATOM 908 C ASP A 58 -3.065 2.410 -8.593 1.00 0.33 C ATOM 909 O ASP A 58 -3.117 2.510 -7.363 1.00 0.33 O ATOM 910 CB ASP A 58 -1.514 0.762 -9.697 1.00 0.43 C ATOM 911 CG ASP A 58 -2.465 0.301 -10.781 1.00 0.71 C ATOM 912 OD1 ASP A 58 -2.223 0.616 -11.963 1.00 0.92 O ATOM 913 OD2 ASP A 58 -3.468 -0.364 -10.452 1.00 1.31 O ATOM 0 H ASP A 58 -0.875 2.502 -7.400 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.707 2.839 -10.190 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.489 0.631 -10.043 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.638 0.126 -8.820 1.00 0.43 H new ATOM 918 N SER A 59 -4.135 2.483 -9.367 1.00 0.42 N ATOM 919 CA SER A 59 -5.463 2.646 -8.812 1.00 0.43 C ATOM 920 C SER A 59 -6.430 1.667 -9.459 1.00 0.46 C ATOM 921 O SER A 59 -6.705 1.738 -10.658 1.00 0.58 O ATOM 922 CB SER A 59 -5.950 4.088 -8.982 1.00 0.52 C ATOM 923 OG SER A 59 -5.714 4.566 -10.298 1.00 1.09 O ATOM 0 H SER A 59 -4.107 2.431 -10.385 1.00 0.42 H new ATOM 0 HA SER A 59 -5.420 2.431 -7.744 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.016 4.142 -8.760 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.442 4.732 -8.264 1.00 0.52 H new ATOM 0 HG SER A 59 -5.961 3.874 -10.947 1.00 1.09 H new ATOM 929 N VAL A 60 -6.930 0.747 -8.659 1.00 0.39 N ATOM 930 CA VAL A 60 -7.865 -0.257 -9.130 1.00 0.45 C ATOM 931 C VAL A 60 -9.274 0.114 -8.689 1.00 0.38 C ATOM 932 O VAL A 60 -9.584 0.104 -7.500 1.00 0.39 O ATOM 933 CB VAL A 60 -7.497 -1.659 -8.596 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.472 -2.715 -9.103 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.072 -2.022 -8.984 1.00 1.11 C ATOM 0 H VAL A 60 -6.701 0.673 -7.668 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.817 -0.289 -10.218 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.566 -1.631 -7.509 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.187 -3.691 -8.711 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.480 -2.470 -8.769 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.447 -2.740 -10.192 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.831 -3.013 -8.599 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -5.980 -2.022 -10.070 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.382 -1.291 -8.561 1.00 1.11 H new ATOM 945 N LEU A 61 -10.113 0.471 -9.645 1.00 0.40 N ATOM 946 CA LEU A 61 -11.465 0.909 -9.345 1.00 0.39 C ATOM 947 C LEU A 61 -12.476 -0.111 -9.840 1.00 0.38 C ATOM 948 O LEU A 61 -12.652 -0.287 -11.046 1.00 0.57 O ATOM 949 CB LEU A 61 -11.743 2.281 -9.960 1.00 0.51 C ATOM 950 CG LEU A 61 -11.018 3.451 -9.290 1.00 0.62 C ATOM 951 CD1 LEU A 61 -9.548 3.485 -9.669 1.00 1.31 C ATOM 952 CD2 LEU A 61 -11.692 4.756 -9.650 1.00 1.34 C ATOM 0 H LEU A 61 -9.881 0.466 -10.638 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.562 0.997 -8.263 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.461 2.254 -11.013 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -12.816 2.469 -9.922 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.075 3.310 -8.211 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -9.064 4.328 -9.176 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -9.070 2.557 -9.355 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -9.453 3.594 -10.749 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -11.168 5.581 -9.168 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -11.667 4.892 -10.731 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -12.728 4.736 -9.311 1.00 1.34 H new ATOM 964 N VAL A 62 -13.132 -0.799 -8.912 1.00 0.27 N ATOM 965 CA VAL A 62 -14.080 -1.837 -9.293 1.00 0.27 C ATOM 966 C VAL A 62 -15.514 -1.322 -9.197 1.00 0.26 C ATOM 967 O VAL A 62 -16.062 -1.159 -8.104 1.00 0.30 O ATOM 968 CB VAL A 62 -13.925 -3.082 -8.388 1.00 0.34 C ATOM 969 CG1 VAL A 62 -14.922 -4.170 -8.773 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.501 -3.620 -8.451 1.00 0.59 C ATOM 0 H VAL A 62 -13.027 -0.660 -7.907 1.00 0.27 H new ATOM 0 HA VAL A 62 -13.866 -2.115 -10.325 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.136 -2.777 -7.363 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.789 -5.033 -8.120 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -15.937 -3.787 -8.667 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.753 -4.469 -9.808 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.414 -4.495 -7.807 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.263 -3.899 -9.477 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -11.806 -2.851 -8.113 1.00 0.59 H new ATOM 980 N GLY A 63 -16.088 -1.021 -10.354 1.00 0.28 N ATOM 981 CA GLY A 63 -17.481 -0.650 -10.441 1.00 0.33 C ATOM 982 C GLY A 63 -18.344 -1.771 -11.020 1.00 0.36 C ATOM 983 O GLY A 63 -17.969 -2.361 -12.033 1.00 0.42 O ATOM 0 H GLY A 63 -15.599 -1.029 -11.249 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.848 -0.388 -9.449 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.580 0.240 -11.063 1.00 0.33 H new ATOM 987 N PRO A 64 -19.477 -2.139 -10.400 1.00 0.39 N ATOM 988 CA PRO A 64 -19.804 -1.845 -9.015 1.00 0.39 C ATOM 989 C PRO A 64 -19.467 -3.046 -8.138 1.00 0.38 C ATOM 990 O PRO A 64 -19.226 -4.144 -8.650 1.00 0.41 O ATOM 991 CB PRO A 64 -21.310 -1.622 -9.076 1.00 0.48 C ATOM 992 CG PRO A 64 -21.789 -2.528 -10.166 1.00 0.55 C ATOM 993 CD PRO A 64 -20.599 -2.830 -11.056 1.00 0.48 C ATOM 0 HA PRO A 64 -19.260 -0.999 -8.596 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.784 -1.863 -8.125 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.547 -0.581 -9.295 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.200 -3.447 -9.749 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.586 -2.053 -10.738 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.418 -3.902 -11.130 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.756 -2.462 -12.070 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.438 -2.858 -6.837 1.00 0.39 N ATOM 1002 CA VAL A 65 -19.061 -3.940 -5.948 1.00 0.40 C ATOM 1003 C VAL A 65 -20.295 -4.546 -5.283 1.00 0.41 C ATOM 1004 O VAL A 65 -20.945 -3.903 -4.459 1.00 0.48 O ATOM 1005 CB VAL A 65 -18.052 -3.473 -4.878 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.924 -4.482 -4.756 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.504 -2.093 -5.211 1.00 0.95 C ATOM 0 H VAL A 65 -19.667 -1.979 -6.373 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.575 -4.705 -6.553 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.569 -3.404 -3.921 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.215 -4.146 -3.999 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.332 -5.451 -4.467 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.414 -4.575 -5.715 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.795 -1.787 -4.441 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.999 -2.125 -6.177 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -18.324 -1.376 -5.254 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.655 -5.781 -5.673 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.813 -6.492 -5.129 1.00 0.48 C ATOM 1019 C PRO A 66 -21.515 -7.169 -3.802 1.00 0.39 C ATOM 1020 O PRO A 66 -20.373 -7.549 -3.531 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.131 -7.548 -6.200 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.129 -7.347 -7.297 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.984 -6.585 -6.694 1.00 0.46 C ATOM 0 HA PRO A 66 -22.637 -5.809 -4.923 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.060 -8.554 -5.787 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.148 -7.428 -6.575 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.792 -8.304 -7.694 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.568 -6.794 -8.127 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.235 -7.249 -6.263 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.474 -5.965 -7.431 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.562 -7.330 -2.997 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.451 -7.932 -1.675 1.00 0.36 C ATOM 1033 C ALA A 67 -21.770 -9.294 -1.737 1.00 0.34 C ATOM 1034 O ALA A 67 -22.129 -10.146 -2.553 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.824 -8.061 -1.037 1.00 0.40 C ATOM 0 H ALA A 67 -23.510 -7.046 -3.244 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.833 -7.276 -1.062 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.725 -8.512 -0.050 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.275 -7.073 -0.941 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.458 -8.690 -1.662 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.776 -9.477 -0.887 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.039 -10.718 -0.849 1.00 0.33 C ATOM 1043 C GLY A 68 -18.574 -10.467 -0.597 1.00 0.27 C ATOM 1044 O GLY A 68 -18.083 -9.364 -0.848 1.00 0.26 O ATOM 0 H GLY A 68 -20.463 -8.777 -0.214 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.442 -11.361 -0.066 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.164 -11.249 -1.793 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.867 -11.460 -0.090 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.456 -11.286 0.191 1.00 0.26 C ATOM 1050 C ARG A 69 -15.630 -11.521 -1.065 1.00 0.26 C ATOM 1051 O ARG A 69 -15.599 -12.622 -1.610 1.00 0.37 O ATOM 1052 CB ARG A 69 -15.991 -12.204 1.320 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.652 -11.775 1.896 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.393 -12.385 3.261 1.00 0.48 C ATOM 1055 NE ARG A 69 -13.974 -13.781 3.184 1.00 1.24 N ATOM 1056 CZ ARG A 69 -13.756 -14.548 4.248 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -14.051 -14.103 5.462 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -13.265 -15.772 4.099 1.00 2.78 N ATOM 0 H ARG A 69 -18.241 -12.383 0.133 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.308 -10.258 0.520 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.740 -12.210 2.112 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -15.913 -13.225 0.947 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -13.854 -12.066 1.213 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.624 -10.688 1.974 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -13.624 -11.807 3.773 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -15.298 -12.314 3.864 1.00 0.48 H new ATOM 0 HE ARG A 69 -13.841 -14.192 2.260 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -14.446 -13.170 5.581 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -13.883 -14.694 6.276 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -13.054 -16.127 3.166 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -13.099 -16.358 4.917 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.985 -10.463 -1.527 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.152 -10.523 -2.716 1.00 0.24 C ATOM 1074 C HIS A 70 -12.687 -10.485 -2.312 1.00 0.25 C ATOM 1075 O HIS A 70 -12.311 -9.767 -1.386 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.449 -9.345 -3.650 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.886 -9.228 -4.066 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.412 -9.861 -5.172 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.905 -8.531 -3.515 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.693 -9.561 -5.281 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.017 -8.754 -4.287 1.00 0.47 N ATOM 0 H HIS A 70 -15.024 -9.542 -1.090 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.371 -11.451 -3.244 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.151 -8.421 -3.155 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.832 -9.441 -4.543 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.853 -7.913 -2.631 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.362 -9.915 -6.052 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.943 -8.361 -4.120 1.00 0.47 H new ATOM 1090 N MET A 71 -11.866 -11.256 -2.998 1.00 0.33 N ATOM 1091 CA MET A 71 -10.442 -11.289 -2.717 1.00 0.38 C ATOM 1092 C MET A 71 -9.654 -11.065 -3.999 1.00 0.38 C ATOM 1093 O MET A 71 -9.592 -11.945 -4.860 1.00 0.48 O ATOM 1094 CB MET A 71 -10.057 -12.631 -2.093 1.00 0.47 C ATOM 1095 CG MET A 71 -8.609 -12.698 -1.646 1.00 0.60 C ATOM 1096 SD MET A 71 -8.159 -14.310 -0.971 1.00 0.80 S ATOM 1097 CE MET A 71 -6.486 -13.979 -0.421 1.00 1.80 C ATOM 0 H MET A 71 -12.161 -11.870 -3.757 1.00 0.33 H new ATOM 0 HA MET A 71 -10.205 -10.493 -2.011 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.703 -12.823 -1.236 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.243 -13.425 -2.816 1.00 0.47 H new ATOM 0 HG2 MET A 71 -7.961 -12.470 -2.493 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.430 -11.931 -0.892 1.00 0.60 H new ATOM 0 HE1 MET A 71 -6.160 -14.774 0.250 1.00 1.80 H new ATOM 0 HE2 MET A 71 -5.821 -13.936 -1.284 1.00 1.80 H new ATOM 0 HE3 MET A 71 -6.458 -13.025 0.106 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.071 -9.884 -4.139 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.334 -9.555 -5.346 1.00 0.31 C ATOM 1109 C PHE A 72 -6.883 -9.231 -5.019 1.00 0.29 C ATOM 1110 O PHE A 72 -6.566 -8.775 -3.916 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.001 -8.391 -6.100 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.759 -7.022 -5.514 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.406 -6.612 -4.359 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -7.886 -6.141 -6.135 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.185 -5.352 -3.836 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.661 -4.880 -5.615 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.312 -4.487 -4.465 1.00 0.29 C ATOM 0 H PHE A 72 -9.094 -9.144 -3.437 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.348 -10.427 -5.999 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.645 -8.395 -7.130 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.076 -8.569 -6.133 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.090 -7.284 -3.862 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.375 -6.444 -7.037 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.695 -5.044 -2.935 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -6.977 -4.205 -6.108 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.139 -3.502 -4.056 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.008 -9.476 -5.982 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.586 -9.250 -5.799 1.00 0.29 C ATOM 1129 C VAL A 73 -4.182 -7.932 -6.441 1.00 0.30 C ATOM 1130 O VAL A 73 -4.106 -7.821 -7.666 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.739 -10.388 -6.409 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.268 -10.211 -6.061 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.241 -11.747 -5.946 1.00 1.00 C ATOM 0 H VAL A 73 -6.262 -9.834 -6.903 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.398 -9.220 -4.726 1.00 0.29 H new ATOM 0 HB VAL A 73 -3.842 -10.341 -7.493 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -1.690 -11.024 -6.501 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -1.913 -9.259 -6.455 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.146 -10.224 -4.978 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.628 -12.532 -6.389 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.178 -11.807 -4.860 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.278 -11.877 -6.257 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.949 -6.937 -5.609 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.514 -5.636 -6.075 1.00 0.25 C ATOM 1145 C PHE A 74 -2.005 -5.659 -6.256 1.00 0.25 C ATOM 1146 O PHE A 74 -1.263 -5.942 -5.314 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.909 -4.562 -5.058 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.846 -3.146 -5.574 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.797 -2.753 -6.385 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.834 -2.221 -5.271 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.734 -1.468 -6.882 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.778 -0.934 -5.768 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.735 -0.520 -6.472 1.00 0.31 C ATOM 0 H PHE A 74 -4.055 -7.006 -4.597 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.991 -5.404 -7.027 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.924 -4.763 -4.714 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.256 -4.646 -4.190 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -2.019 -3.460 -6.632 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.659 -2.511 -4.637 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.949 -1.179 -7.565 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.596 -0.255 -5.580 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.637 0.523 -6.736 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.558 -5.390 -7.470 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.136 -5.385 -7.767 1.00 0.27 C ATOM 1165 C GLN A 75 0.256 -4.109 -8.498 1.00 0.32 C ATOM 1166 O GLN A 75 -0.509 -3.578 -9.306 1.00 0.41 O ATOM 1167 CB GLN A 75 0.242 -6.605 -8.607 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.118 -7.927 -7.952 1.00 0.49 C ATOM 1169 CD GLN A 75 0.261 -9.117 -8.804 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.528 -9.587 -9.624 1.00 1.14 O ATOM 1171 NE2 GLN A 75 1.471 -9.614 -8.613 1.00 1.12 N ATOM 0 H GLN A 75 -2.158 -5.172 -8.266 1.00 0.24 H new ATOM 0 HA GLN A 75 0.406 -5.427 -6.823 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.258 -6.540 -9.574 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.314 -6.585 -8.801 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.385 -8.000 -6.988 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.190 -7.952 -7.755 1.00 0.49 H new ATOM 0 HE21 GLN A 75 2.092 -9.193 -7.922 1.00 1.12 H new ATOM 0 HE22 GLN A 75 1.783 -10.419 -9.156 1.00 1.12 H new ATOM 1180 N ALA A 76 1.447 -3.617 -8.197 1.00 0.36 N ATOM 1181 CA ALA A 76 1.972 -2.425 -8.843 1.00 0.46 C ATOM 1182 C ALA A 76 3.491 -2.479 -8.887 1.00 0.40 C ATOM 1183 O ALA A 76 4.126 -2.888 -7.915 1.00 0.48 O ATOM 1184 CB ALA A 76 1.506 -1.177 -8.112 1.00 0.56 C ATOM 0 H ALA A 76 2.072 -4.028 -7.504 1.00 0.36 H new ATOM 0 HA ALA A 76 1.595 -2.386 -9.865 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.908 -0.293 -8.608 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.417 -1.135 -8.122 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.859 -1.206 -7.081 1.00 0.56 H new ATOM 1190 N ASP A 77 4.063 -2.071 -10.013 1.00 0.56 N ATOM 1191 CA ASP A 77 5.510 -2.128 -10.210 1.00 0.61 C ATOM 1192 C ASP A 77 6.224 -1.094 -9.340 1.00 0.43 C ATOM 1193 O ASP A 77 5.581 -0.258 -8.702 1.00 0.47 O ATOM 1194 CB ASP A 77 5.864 -1.923 -11.691 1.00 0.95 C ATOM 1195 CG ASP A 77 5.395 -0.588 -12.240 1.00 1.54 C ATOM 1196 OD1 ASP A 77 4.178 -0.311 -12.190 1.00 2.13 O ATOM 1197 OD2 ASP A 77 6.243 0.197 -12.719 1.00 2.06 O ATOM 0 H ASP A 77 3.546 -1.695 -10.808 1.00 0.56 H new ATOM 0 HA ASP A 77 5.851 -3.118 -9.907 1.00 0.61 H new ATOM 0 HB2 ASP A 77 6.944 -1.999 -11.813 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.419 -2.726 -12.278 1.00 0.95 H new ATOM 1202 N ALA A 78 7.554 -1.165 -9.323 1.00 0.45 N ATOM 1203 CA ALA A 78 8.374 -0.342 -8.445 1.00 0.36 C ATOM 1204 C ALA A 78 8.111 1.150 -8.632 1.00 0.37 C ATOM 1205 O ALA A 78 8.055 1.645 -9.761 1.00 0.46 O ATOM 1206 CB ALA A 78 9.846 -0.647 -8.680 1.00 0.40 C ATOM 0 H ALA A 78 8.090 -1.796 -9.919 1.00 0.45 H new ATOM 0 HA ALA A 78 8.103 -0.589 -7.418 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.455 -0.029 -8.021 1.00 0.40 H new ATOM 0 HB2 ALA A 78 10.038 -1.699 -8.470 1.00 0.40 H new ATOM 0 HB3 ALA A 78 10.101 -0.432 -9.718 1.00 0.40 H new ATOM 1212 N PRO A 79 7.935 1.873 -7.512 1.00 0.34 N ATOM 1213 CA PRO A 79 7.756 3.329 -7.514 1.00 0.43 C ATOM 1214 C PRO A 79 8.941 4.065 -8.131 1.00 0.41 C ATOM 1215 O PRO A 79 9.929 3.452 -8.542 1.00 0.47 O ATOM 1216 CB PRO A 79 7.627 3.688 -6.028 1.00 0.47 C ATOM 1217 CG PRO A 79 8.151 2.510 -5.288 1.00 0.53 C ATOM 1218 CD PRO A 79 7.870 1.319 -6.153 1.00 0.33 C ATOM 0 HA PRO A 79 6.893 3.621 -8.113 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.197 4.586 -5.790 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.589 3.889 -5.761 1.00 0.47 H new ATOM 0 HG2 PRO A 79 9.220 2.612 -5.100 1.00 0.53 H new ATOM 0 HG3 PRO A 79 7.664 2.411 -4.318 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.606 0.529 -6.004 1.00 0.33 H new ATOM 0 HD3 PRO A 79 6.892 0.887 -5.940 1.00 0.33 H new ATOM 1226 N ASN A 80 8.843 5.382 -8.187 1.00 0.43 N ATOM 1227 CA ASN A 80 9.885 6.201 -8.784 1.00 0.46 C ATOM 1228 C ASN A 80 11.051 6.368 -7.806 1.00 0.40 C ATOM 1229 O ASN A 80 10.888 6.931 -6.724 1.00 0.39 O ATOM 1230 CB ASN A 80 9.312 7.569 -9.178 1.00 0.56 C ATOM 1231 CG ASN A 80 10.243 8.371 -10.070 1.00 1.33 C ATOM 1232 OD1 ASN A 80 11.462 8.291 -9.953 1.00 2.19 O ATOM 1233 ND2 ASN A 80 9.670 9.138 -10.984 1.00 1.59 N ATOM 0 H ASN A 80 8.049 5.909 -7.825 1.00 0.43 H new ATOM 0 HA ASN A 80 10.257 5.706 -9.681 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.362 7.424 -9.692 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.101 8.142 -8.275 1.00 0.56 H new ATOM 0 HD21 ASN A 80 10.245 9.688 -11.621 1.00 1.59 H new ATOM 0 HD22 ASN A 80 8.653 9.179 -11.051 1.00 1.59 H new ATOM 1240 N PRO A 81 12.244 5.866 -8.175 1.00 0.41 N ATOM 1241 CA PRO A 81 13.443 5.952 -7.335 1.00 0.41 C ATOM 1242 C PRO A 81 13.946 7.384 -7.201 1.00 0.43 C ATOM 1243 O PRO A 81 14.766 7.685 -6.340 1.00 0.48 O ATOM 1244 CB PRO A 81 14.478 5.090 -8.074 1.00 0.47 C ATOM 1245 CG PRO A 81 13.703 4.318 -9.084 1.00 0.54 C ATOM 1246 CD PRO A 81 12.520 5.169 -9.436 1.00 0.48 C ATOM 0 HA PRO A 81 13.247 5.615 -6.317 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.237 5.710 -8.551 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.998 4.424 -7.385 1.00 0.47 H new ATOM 0 HG2 PRO A 81 14.310 4.110 -9.965 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.386 3.356 -8.681 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.747 5.865 -10.243 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.671 4.569 -9.762 1.00 0.48 H new ATOM 1254 N GLY A 82 13.443 8.261 -8.059 1.00 0.45 N ATOM 1255 CA GLY A 82 13.825 9.655 -8.008 1.00 0.49 C ATOM 1256 C GLY A 82 13.021 10.425 -6.982 1.00 0.48 C ATOM 1257 O GLY A 82 13.296 11.595 -6.721 1.00 0.51 O ATOM 0 H GLY A 82 12.774 8.028 -8.793 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.886 9.732 -7.770 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.686 10.106 -8.991 1.00 0.49 H new ATOM 1261 N LEU A 83 12.009 9.778 -6.419 1.00 0.46 N ATOM 1262 CA LEU A 83 11.227 10.378 -5.346 1.00 0.49 C ATOM 1263 C LEU A 83 11.678 9.850 -3.993 1.00 0.46 C ATOM 1264 O LEU A 83 11.604 10.557 -2.989 1.00 0.52 O ATOM 1265 CB LEU A 83 9.730 10.113 -5.543 1.00 0.52 C ATOM 1266 CG LEU A 83 9.044 11.005 -6.579 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.600 10.576 -6.783 1.00 1.60 C ATOM 1268 CD2 LEU A 83 9.111 12.463 -6.153 1.00 1.34 C ATOM 0 H LEU A 83 11.711 8.840 -6.687 1.00 0.46 H new ATOM 0 HA LEU A 83 11.393 11.455 -5.375 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.597 9.072 -5.838 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.225 10.240 -4.585 1.00 0.52 H new ATOM 0 HG LEU A 83 9.571 10.897 -7.527 1.00 0.58 H new ATOM 0 HD11 LEU A 83 7.129 11.223 -7.524 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.573 9.544 -7.133 1.00 1.60 H new ATOM 0 HD13 LEU A 83 7.061 10.653 -5.839 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.618 13.084 -6.901 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.609 12.585 -5.193 1.00 1.34 H new ATOM 0 HD23 LEU A 83 10.154 12.767 -6.059 1.00 1.34 H new ATOM 1280 N ILE A 84 12.148 8.605 -3.973 1.00 0.41 N ATOM 1281 CA ILE A 84 12.591 7.983 -2.734 1.00 0.40 C ATOM 1282 C ILE A 84 13.929 8.568 -2.283 1.00 0.46 C ATOM 1283 O ILE A 84 14.919 8.514 -3.012 1.00 0.52 O ATOM 1284 CB ILE A 84 12.706 6.450 -2.882 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.372 5.873 -3.359 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.122 5.813 -1.562 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.391 4.373 -3.558 1.00 0.33 C ATOM 0 H ILE A 84 12.231 8.012 -4.798 1.00 0.41 H new ATOM 0 HA ILE A 84 11.839 8.196 -1.974 1.00 0.40 H new ATOM 0 HB ILE A 84 13.473 6.225 -3.623 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.598 6.124 -2.634 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.095 6.351 -4.299 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.197 4.733 -1.687 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.089 6.211 -1.255 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.378 6.039 -0.799 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.410 4.038 -3.896 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.141 4.115 -4.306 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.636 3.884 -2.615 1.00 0.33 H new ATOM 1299 N PRO A 85 13.963 9.132 -1.068 1.00 0.48 N ATOM 1300 CA PRO A 85 15.139 9.813 -0.542 1.00 0.57 C ATOM 1301 C PRO A 85 16.237 8.844 -0.133 1.00 0.56 C ATOM 1302 O PRO A 85 15.967 7.741 0.349 1.00 0.55 O ATOM 1303 CB PRO A 85 14.608 10.568 0.677 1.00 0.68 C ATOM 1304 CG PRO A 85 13.386 9.826 1.102 1.00 0.81 C ATOM 1305 CD PRO A 85 12.847 9.124 -0.113 1.00 0.50 C ATOM 0 HA PRO A 85 15.597 10.461 -1.290 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.349 10.595 1.476 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.372 11.602 0.426 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.625 9.108 1.887 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.643 10.511 1.512 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.534 8.107 0.123 1.00 0.50 H new ATOM 0 HD3 PRO A 85 11.976 9.641 -0.516 1.00 0.50 H new ATOM 1313 N ASP A 86 17.474 9.285 -0.301 1.00 0.67 N ATOM 1314 CA ASP A 86 18.647 8.464 -0.023 1.00 0.76 C ATOM 1315 C ASP A 86 18.667 8.015 1.431 1.00 0.78 C ATOM 1316 O ASP A 86 19.097 6.908 1.748 1.00 0.86 O ATOM 1317 CB ASP A 86 19.928 9.245 -0.329 1.00 0.98 C ATOM 1318 CG ASP A 86 19.973 9.771 -1.750 1.00 1.52 C ATOM 1319 OD1 ASP A 86 20.305 8.989 -2.669 1.00 1.92 O ATOM 1320 OD2 ASP A 86 19.674 10.960 -1.961 1.00 2.29 O ATOM 0 H ASP A 86 17.695 10.223 -0.634 1.00 0.67 H new ATOM 0 HA ASP A 86 18.595 7.583 -0.663 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.012 10.081 0.365 1.00 0.98 H new ATOM 0 HB3 ASP A 86 20.790 8.600 -0.158 1.00 0.98 H new ATOM 1325 N ALA A 87 18.181 8.880 2.306 1.00 0.83 N ATOM 1326 CA ALA A 87 18.194 8.613 3.735 1.00 0.99 C ATOM 1327 C ALA A 87 17.153 7.567 4.128 1.00 0.90 C ATOM 1328 O ALA A 87 17.411 6.727 4.989 1.00 1.07 O ATOM 1329 CB ALA A 87 17.970 9.901 4.509 1.00 1.25 C ATOM 0 H ALA A 87 17.770 9.778 2.050 1.00 0.83 H new ATOM 0 HA ALA A 87 19.174 8.208 3.988 1.00 0.99 H new ATOM 0 HB1 ALA A 87 17.982 9.690 5.578 1.00 1.25 H new ATOM 0 HB2 ALA A 87 18.762 10.611 4.271 1.00 1.25 H new ATOM 0 HB3 ALA A 87 17.005 10.328 4.234 1.00 1.25 H new ATOM 1335 N ASP A 88 15.981 7.604 3.500 1.00 0.76 N ATOM 1336 CA ASP A 88 14.898 6.696 3.882 1.00 0.78 C ATOM 1337 C ASP A 88 14.961 5.390 3.097 1.00 0.62 C ATOM 1338 O ASP A 88 14.415 4.374 3.523 1.00 0.64 O ATOM 1339 CB ASP A 88 13.537 7.363 3.681 1.00 0.99 C ATOM 1340 CG ASP A 88 12.404 6.553 4.285 1.00 1.41 C ATOM 1341 OD1 ASP A 88 12.291 6.514 5.527 1.00 1.68 O ATOM 1342 OD2 ASP A 88 11.635 5.945 3.507 1.00 1.94 O ATOM 0 H ASP A 88 15.756 8.241 2.736 1.00 0.76 H new ATOM 0 HA ASP A 88 15.025 6.463 4.939 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.551 8.356 4.131 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.355 7.499 2.615 1.00 0.99 H new ATOM 1347 N ALA A 89 15.648 5.415 1.960 1.00 0.54 N ATOM 1348 CA ALA A 89 15.808 4.221 1.135 1.00 0.49 C ATOM 1349 C ALA A 89 16.501 3.107 1.915 1.00 0.44 C ATOM 1350 O ALA A 89 16.267 1.928 1.678 1.00 0.51 O ATOM 1351 CB ALA A 89 16.590 4.549 -0.127 1.00 0.48 C ATOM 0 H ALA A 89 16.103 6.248 1.588 1.00 0.54 H new ATOM 0 HA ALA A 89 14.816 3.870 0.851 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.701 3.648 -0.731 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.055 5.307 -0.700 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.576 4.927 0.144 1.00 0.48 H new ATOM 1357 N VAL A 90 17.354 3.488 2.851 1.00 0.41 N ATOM 1358 CA VAL A 90 18.042 2.523 3.696 1.00 0.43 C ATOM 1359 C VAL A 90 17.338 2.444 5.060 1.00 0.43 C ATOM 1360 O VAL A 90 17.971 2.234 6.096 1.00 0.49 O ATOM 1361 CB VAL A 90 19.523 2.921 3.897 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.342 1.741 4.405 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.115 3.464 2.606 1.00 0.54 C ATOM 0 H VAL A 90 17.588 4.461 3.046 1.00 0.41 H new ATOM 0 HA VAL A 90 18.012 1.550 3.207 1.00 0.43 H new ATOM 0 HB VAL A 90 19.559 3.708 4.650 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.379 2.048 4.538 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.939 1.402 5.359 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.294 0.927 3.682 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.157 3.738 2.770 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.058 2.700 1.830 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.554 4.344 2.290 1.00 0.54 H new ATOM 1373 N GLY A 91 16.019 2.588 5.050 1.00 0.42 N ATOM 1374 CA GLY A 91 15.276 2.713 6.294 1.00 0.46 C ATOM 1375 C GLY A 91 13.879 2.125 6.218 1.00 0.43 C ATOM 1376 O GLY A 91 13.702 0.996 5.766 1.00 0.62 O ATOM 0 H GLY A 91 15.449 2.621 4.205 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.829 2.217 7.091 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.205 3.767 6.563 1.00 0.46 H new ATOM 1380 N VAL A 92 12.883 2.894 6.654 1.00 0.40 N ATOM 1381 CA VAL A 92 11.515 2.398 6.724 1.00 0.38 C ATOM 1382 C VAL A 92 10.530 3.353 6.044 1.00 0.36 C ATOM 1383 O VAL A 92 10.245 4.445 6.538 1.00 0.55 O ATOM 1384 CB VAL A 92 11.078 2.134 8.188 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.324 3.350 9.071 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.614 1.719 8.251 1.00 1.23 C ATOM 0 H VAL A 92 12.999 3.859 6.963 1.00 0.40 H new ATOM 0 HA VAL A 92 11.498 1.451 6.185 1.00 0.38 H new ATOM 0 HB VAL A 92 11.688 1.314 8.568 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.006 3.130 10.090 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.386 3.594 9.067 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.756 4.198 8.689 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.331 1.539 9.288 1.00 1.23 H new ATOM 0 HG22 VAL A 92 8.993 2.513 7.838 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.469 0.807 7.672 1.00 1.23 H new ATOM 1396 N THR A 93 10.017 2.921 4.909 1.00 0.28 N ATOM 1397 CA THR A 93 9.039 3.682 4.166 1.00 0.28 C ATOM 1398 C THR A 93 7.645 3.114 4.437 1.00 0.27 C ATOM 1399 O THR A 93 7.513 2.011 4.971 1.00 0.41 O ATOM 1400 CB THR A 93 9.357 3.614 2.660 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.775 3.665 2.460 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.707 4.765 1.910 1.00 0.59 C ATOM 0 H THR A 93 10.268 2.031 4.478 1.00 0.28 H new ATOM 0 HA THR A 93 9.070 4.725 4.483 1.00 0.28 H new ATOM 0 HB THR A 93 8.959 2.676 2.274 1.00 0.35 H new ATOM 0 HG1 THR A 93 11.171 4.305 3.088 1.00 0.63 H new ATOM 0 HG21 THR A 93 8.949 4.691 0.850 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.626 4.719 2.040 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.080 5.711 2.302 1.00 0.59 H new ATOM 1410 N VAL A 94 6.607 3.856 4.094 1.00 0.25 N ATOM 1411 CA VAL A 94 5.248 3.389 4.308 1.00 0.25 C ATOM 1412 C VAL A 94 4.542 3.179 2.973 1.00 0.24 C ATOM 1413 O VAL A 94 4.703 3.972 2.042 1.00 0.28 O ATOM 1414 CB VAL A 94 4.434 4.381 5.173 1.00 0.30 C ATOM 1415 CG1 VAL A 94 3.047 3.827 5.482 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.182 4.704 6.459 1.00 0.32 C ATOM 0 H VAL A 94 6.678 4.780 3.668 1.00 0.25 H new ATOM 0 HA VAL A 94 5.310 2.441 4.842 1.00 0.25 H new ATOM 0 HB VAL A 94 4.308 5.303 4.605 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.496 4.544 6.091 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.509 3.653 4.550 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.143 2.887 6.026 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.595 5.403 7.055 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.342 3.787 7.027 1.00 0.32 H new ATOM 0 HG23 VAL A 94 6.145 5.153 6.217 1.00 0.32 H new ATOM 1426 N VAL A 95 3.787 2.099 2.873 1.00 0.22 N ATOM 1427 CA VAL A 95 2.981 1.835 1.704 1.00 0.22 C ATOM 1428 C VAL A 95 1.533 1.670 2.143 1.00 0.24 C ATOM 1429 O VAL A 95 1.189 0.726 2.858 1.00 0.34 O ATOM 1430 CB VAL A 95 3.483 0.595 0.919 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.633 -0.619 1.822 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.557 0.283 -0.245 1.00 0.60 C ATOM 0 H VAL A 95 3.718 1.386 3.599 1.00 0.22 H new ATOM 0 HA VAL A 95 3.062 2.677 1.017 1.00 0.22 H new ATOM 0 HB VAL A 95 4.470 0.837 0.524 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.986 -1.467 1.236 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.352 -0.399 2.611 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.668 -0.863 2.267 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.928 -0.590 -0.781 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.555 0.078 0.132 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.523 1.137 -0.922 1.00 0.60 H new ATOM 1442 N LEU A 96 0.696 2.614 1.758 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.652 2.665 2.285 1.00 0.26 C ATOM 1444 C LEU A 96 -1.700 2.567 1.186 1.00 0.24 C ATOM 1445 O LEU A 96 -1.659 3.291 0.194 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.843 3.927 3.142 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.477 5.259 2.477 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.719 5.956 1.955 1.00 1.13 C ATOM 1449 CD2 LEU A 96 0.262 6.157 3.455 1.00 1.21 C ATOM 0 H LEU A 96 0.923 3.349 1.088 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.794 1.793 2.924 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.886 3.975 3.453 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.245 3.820 4.047 1.00 0.44 H new ATOM 0 HG LEU A 96 0.180 5.050 1.633 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.437 6.899 1.487 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.212 5.319 1.220 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.402 6.151 2.782 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.514 7.098 2.966 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -0.373 6.355 4.318 1.00 1.21 H new ATOM 0 HD23 LEU A 96 1.176 5.663 3.783 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.627 1.647 1.376 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.715 1.443 0.438 1.00 0.24 C ATOM 1463 C ILE A 97 -4.940 2.213 0.889 1.00 0.26 C ATOM 1464 O ILE A 97 -5.522 1.917 1.933 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.074 -0.052 0.308 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.842 -0.858 -0.107 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.205 -0.244 -0.700 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.088 -2.347 -0.161 1.00 0.30 C ATOM 0 H ILE A 97 -2.647 1.022 2.182 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.385 1.806 -0.536 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.415 -0.414 1.278 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.507 -0.517 -1.087 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.032 -0.656 0.594 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.446 -1.304 -0.779 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.086 0.304 -0.367 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.892 0.131 -1.674 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.173 -2.856 -0.462 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.393 -2.701 0.824 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.876 -2.560 -0.884 1.00 0.30 H new ATOM 1480 N THR A 98 -5.309 3.210 0.114 1.00 0.29 N ATOM 1481 CA THR A 98 -6.465 4.017 0.425 1.00 0.33 C ATOM 1482 C THR A 98 -7.644 3.611 -0.446 1.00 0.28 C ATOM 1483 O THR A 98 -7.475 3.242 -1.610 1.00 0.37 O ATOM 1484 CB THR A 98 -6.167 5.512 0.228 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.635 5.738 -1.083 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.182 6.011 1.270 1.00 1.07 C ATOM 0 H THR A 98 -4.821 3.481 -0.740 1.00 0.29 H new ATOM 0 HA THR A 98 -6.716 3.849 1.472 1.00 0.33 H new ATOM 0 HB THR A 98 -7.101 6.062 0.342 1.00 0.43 H new ATOM 0 HG1 THR A 98 -5.599 6.701 -1.260 1.00 1.42 H new ATOM 0 HG21 THR A 98 -4.988 7.071 1.109 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.601 5.866 2.266 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.249 5.454 1.185 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.827 3.644 0.133 1.00 0.28 N ATOM 1495 CA CYS A 99 -10.037 3.309 -0.596 1.00 0.29 C ATOM 1496 C CYS A 99 -10.998 4.490 -0.602 1.00 0.31 C ATOM 1497 O CYS A 99 -11.528 4.880 0.442 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.693 2.082 0.026 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.565 0.690 0.224 1.00 1.32 S ATOM 0 H CYS A 99 -8.978 3.900 1.109 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.777 3.079 -1.629 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.100 2.352 1.001 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.533 1.774 -0.596 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.760 -0.166 -0.735 1.00 1.32 H new ATOM 1505 N THR A 100 -11.207 5.058 -1.779 1.00 0.34 N ATOM 1506 CA THR A 100 -12.007 6.262 -1.929 1.00 0.38 C ATOM 1507 C THR A 100 -13.454 5.942 -2.309 1.00 0.37 C ATOM 1508 O THR A 100 -13.702 5.138 -3.212 1.00 0.41 O ATOM 1509 CB THR A 100 -11.396 7.164 -3.017 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.976 7.241 -2.846 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.989 8.561 -2.964 1.00 0.50 C ATOM 0 H THR A 100 -10.828 4.698 -2.655 1.00 0.34 H new ATOM 0 HA THR A 100 -12.009 6.773 -0.966 1.00 0.38 H new ATOM 0 HB THR A 100 -11.626 6.726 -3.988 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.566 7.591 -3.665 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.540 9.177 -3.743 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.066 8.505 -3.122 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.787 9.005 -1.989 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.401 6.556 -1.597 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.814 6.497 -1.957 1.00 0.40 C ATOM 1521 C TYR A 101 -16.413 7.897 -1.825 1.00 0.44 C ATOM 1522 O TYR A 101 -16.427 8.459 -0.733 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.568 5.523 -1.043 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.873 5.005 -1.618 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -18.881 5.886 -1.986 1.00 0.68 C ATOM 1526 CD2 TYR A 101 -18.098 3.648 -1.801 1.00 0.53 C ATOM 1527 CE1 TYR A 101 -20.073 5.431 -2.514 1.00 0.73 C ATOM 1528 CE2 TYR A 101 -19.288 3.183 -2.330 1.00 0.58 C ATOM 1529 CZ TYR A 101 -20.262 4.031 -2.665 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.460 3.625 -3.219 1.00 0.65 O ATOM 0 H TYR A 101 -14.209 7.105 -0.759 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.908 6.142 -2.983 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.920 4.675 -0.823 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.775 6.020 -0.095 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -18.730 6.948 -1.857 1.00 0.68 H new ATOM 0 HD2 TYR A 101 -17.329 2.942 -1.525 1.00 0.53 H new ATOM 0 HE1 TYR A 101 -20.846 6.126 -2.806 1.00 0.73 H new ATOM 0 HE2 TYR A 101 -19.430 2.122 -2.474 1.00 0.58 H new ATOM 0 HH TYR A 101 -22.001 4.411 -3.440 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.877 8.466 -2.940 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.441 9.825 -2.961 1.00 0.59 C ATOM 1542 C ARG A 102 -16.351 10.856 -2.695 1.00 0.57 C ATOM 1543 O ARG A 102 -16.627 11.971 -2.253 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.561 9.990 -1.919 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.780 9.117 -2.159 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.467 9.458 -3.469 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.692 8.682 -3.662 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.434 8.737 -4.766 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -22.067 9.517 -5.771 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -23.538 8.007 -4.868 1.00 2.45 N ATOM 0 H ARG A 102 -16.874 8.005 -3.850 1.00 0.52 H new ATOM 0 HA ARG A 102 -17.865 9.985 -3.952 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.157 9.764 -0.932 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -18.875 11.034 -1.904 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.481 8.069 -2.167 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.484 9.241 -1.336 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -20.705 10.522 -3.488 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -19.784 9.269 -4.297 1.00 0.86 H new ATOM 0 HE ARG A 102 -21.995 8.064 -2.909 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -21.216 10.075 -5.699 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -22.635 9.560 -6.617 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -23.821 7.400 -4.098 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -24.103 8.053 -5.716 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.108 10.476 -2.967 1.00 0.52 N ATOM 1565 CA GLY A 103 -13.984 11.336 -2.650 1.00 0.53 C ATOM 1566 C GLY A 103 -13.558 11.170 -1.207 1.00 0.49 C ATOM 1567 O GLY A 103 -12.480 11.603 -0.800 1.00 0.57 O ATOM 0 H GLY A 103 -14.859 9.587 -3.401 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.147 11.103 -3.308 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.255 12.376 -2.835 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.414 10.511 -0.443 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.195 10.296 0.970 1.00 0.44 C ATOM 1573 C GLN A 104 -13.586 8.919 1.189 1.00 0.37 C ATOM 1574 O GLN A 104 -14.213 7.899 0.908 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.528 10.421 1.712 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.279 11.698 1.365 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.692 11.745 1.913 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.584 12.338 1.302 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -17.912 11.143 3.071 1.00 0.98 N ATOM 0 H GLN A 104 -15.284 10.110 -0.792 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.504 11.045 1.357 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.153 9.561 1.473 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.345 10.393 2.786 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.722 12.552 1.749 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.316 11.803 0.281 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.150 10.662 3.549 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.844 11.160 3.486 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.351 8.893 1.646 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.671 7.639 1.924 1.00 0.32 C ATOM 1590 C GLU A 105 -12.238 7.010 3.193 1.00 0.32 C ATOM 1591 O GLU A 105 -12.393 7.688 4.206 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.168 7.890 2.048 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.546 8.359 0.740 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.183 8.994 0.913 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -7.352 8.425 1.656 1.00 1.59 O ATOM 1596 OE2 GLU A 105 -7.936 10.067 0.327 1.00 1.28 O ATOM 0 H GLU A 105 -11.794 9.727 1.834 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.834 6.940 1.104 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.990 8.639 2.820 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.675 6.974 2.373 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.459 7.509 0.063 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.215 9.077 0.266 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.578 5.727 3.124 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.226 5.055 4.249 1.00 0.27 C ATOM 1605 C PHE A 106 -12.281 4.107 4.979 1.00 0.26 C ATOM 1606 O PHE A 106 -12.580 3.643 6.075 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.481 4.302 3.787 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.277 3.398 2.600 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.822 2.101 2.773 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.520 3.851 1.313 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.612 1.273 1.687 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.315 3.026 0.223 1.00 0.29 C ATOM 1613 CZ PHE A 106 -13.948 1.722 0.407 1.00 0.31 C ATOM 0 H PHE A 106 -12.418 5.134 2.309 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.518 5.833 4.954 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.856 3.706 4.619 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.254 5.030 3.542 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.629 1.732 3.770 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.874 4.860 1.160 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.192 0.288 1.826 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.445 3.413 -0.777 1.00 0.29 H new ATOM 0 HZ PHE A 106 -13.918 1.043 -0.432 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.162 3.793 4.361 1.00 0.24 N ATOM 1624 CA ILE A 107 -10.158 2.962 4.999 1.00 0.24 C ATOM 1625 C ILE A 107 -8.792 3.227 4.384 1.00 0.22 C ATOM 1626 O ILE A 107 -8.690 3.616 3.216 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.499 1.453 4.930 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.568 0.663 5.857 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.406 0.936 3.501 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.771 -0.838 5.803 1.00 0.37 C ATOM 0 H ILE A 107 -10.923 4.100 3.418 1.00 0.24 H new ATOM 0 HA ILE A 107 -10.141 3.232 6.055 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.527 1.315 5.265 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.534 0.889 5.595 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.719 1.003 6.882 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.650 -0.126 3.482 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -11.108 1.481 2.870 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.393 1.082 3.126 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -9.075 -1.324 6.487 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.793 -1.078 6.095 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.591 -1.193 4.788 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.755 3.038 5.176 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.397 3.194 4.717 1.00 0.24 C ATOM 1644 C ARG A 108 -5.496 2.161 5.388 1.00 0.24 C ATOM 1645 O ARG A 108 -5.380 2.130 6.617 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.921 4.600 5.042 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.456 4.833 4.756 1.00 0.34 C ATOM 1648 CD ARG A 108 -4.003 6.115 5.408 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.263 6.104 6.846 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.991 7.132 7.648 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.589 8.288 7.128 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -4.150 7.014 8.961 1.00 0.95 N ATOM 0 H ARG A 108 -7.835 2.771 6.157 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.355 3.038 3.639 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.511 5.314 4.468 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -6.112 4.803 6.096 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.866 3.996 5.130 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.290 4.884 3.680 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.937 6.258 5.231 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.518 6.959 4.950 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.674 5.266 7.257 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.490 8.386 6.118 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -3.380 9.077 7.740 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.481 6.135 9.358 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.941 7.803 9.573 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.879 1.314 4.580 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.992 0.272 5.086 1.00 0.22 C ATOM 1668 C VAL A 109 -2.536 0.713 5.010 1.00 0.24 C ATOM 1669 O VAL A 109 -1.964 0.783 3.930 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.153 -1.042 4.294 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.084 -2.048 4.698 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.547 -1.623 4.495 1.00 0.27 C ATOM 0 H VAL A 109 -4.975 1.326 3.565 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.270 0.098 6.126 1.00 0.22 H new ATOM 0 HB VAL A 109 -4.027 -0.821 3.234 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.216 -2.968 4.128 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.097 -1.632 4.494 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.173 -2.265 5.762 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.640 -2.549 3.928 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.707 -1.828 5.554 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.293 -0.908 4.147 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.945 1.002 6.157 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.557 1.412 6.196 1.00 0.25 C ATOM 1684 C GLY A 110 0.375 0.262 6.513 1.00 0.21 C ATOM 1685 O GLY A 110 0.328 -0.298 7.606 1.00 0.27 O ATOM 0 H GLY A 110 -2.404 0.960 7.067 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.282 1.845 5.234 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.433 2.194 6.945 1.00 0.25 H new ATOM 1689 N TYR A 111 1.202 -0.113 5.553 1.00 0.23 N ATOM 1690 CA TYR A 111 2.222 -1.126 5.781 1.00 0.24 C ATOM 1691 C TYR A 111 3.602 -0.486 5.840 1.00 0.23 C ATOM 1692 O TYR A 111 3.941 0.362 5.019 1.00 0.27 O ATOM 1693 CB TYR A 111 2.175 -2.207 4.699 1.00 0.32 C ATOM 1694 CG TYR A 111 1.184 -3.307 5.002 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.330 -4.120 6.115 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.096 -3.526 4.168 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.420 -5.123 6.390 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.819 -4.523 4.435 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.623 -5.340 5.569 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.563 -6.311 5.820 1.00 0.40 O ATOM 0 H TYR A 111 1.189 0.268 4.607 1.00 0.23 H new ATOM 0 HA TYR A 111 2.019 -1.603 6.740 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.917 -1.747 3.745 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.168 -2.642 4.585 1.00 0.32 H new ATOM 0 HD1 TYR A 111 2.169 -3.967 6.778 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.036 -2.905 3.295 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.547 -5.736 7.270 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.670 -4.676 3.788 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.649 -6.441 6.788 1.00 0.40 H new ATOM 1710 N TYR A 112 4.389 -0.883 6.823 1.00 0.25 N ATOM 1711 CA TYR A 112 5.710 -0.306 7.016 1.00 0.25 C ATOM 1712 C TYR A 112 6.775 -1.216 6.424 1.00 0.27 C ATOM 1713 O TYR A 112 7.002 -2.320 6.911 1.00 0.33 O ATOM 1714 CB TYR A 112 5.976 -0.080 8.506 1.00 0.29 C ATOM 1715 CG TYR A 112 4.940 0.792 9.177 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.781 0.241 9.705 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.115 2.166 9.274 1.00 0.48 C ATOM 1718 CE1 TYR A 112 2.826 1.032 10.310 1.00 0.62 C ATOM 1719 CE2 TYR A 112 4.165 2.964 9.878 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.021 2.393 10.394 1.00 0.64 C ATOM 1721 OH TYR A 112 2.071 3.183 10.999 1.00 0.78 O ATOM 0 H TYR A 112 4.138 -1.603 7.501 1.00 0.25 H new ATOM 0 HA TYR A 112 5.749 0.655 6.504 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.010 -1.045 9.012 1.00 0.29 H new ATOM 0 HB3 TYR A 112 6.958 0.378 8.627 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.624 -0.826 9.641 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.009 2.617 8.870 1.00 0.48 H new ATOM 0 HE1 TYR A 112 1.930 0.586 10.716 1.00 0.62 H new ATOM 0 HE2 TYR A 112 4.317 4.031 9.946 1.00 0.60 H new ATOM 0 HH TYR A 112 2.361 4.119 10.976 1.00 0.78 H new ATOM 1731 N VAL A 113 7.425 -0.749 5.374 1.00 0.27 N ATOM 1732 CA VAL A 113 8.431 -1.541 4.695 1.00 0.31 C ATOM 1733 C VAL A 113 9.832 -1.082 5.077 1.00 0.28 C ATOM 1734 O VAL A 113 10.184 0.084 4.912 1.00 0.31 O ATOM 1735 CB VAL A 113 8.259 -1.494 3.158 1.00 0.42 C ATOM 1736 CG1 VAL A 113 8.088 -0.067 2.655 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.442 -2.160 2.477 1.00 1.19 C ATOM 0 H VAL A 113 7.273 0.177 4.973 1.00 0.27 H new ATOM 0 HA VAL A 113 8.296 -2.574 5.017 1.00 0.31 H new ATOM 0 HB VAL A 113 7.350 -2.041 2.907 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.970 -0.075 1.571 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.204 0.377 3.113 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.967 0.520 2.920 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.309 -2.120 1.396 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.360 -1.638 2.749 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.508 -3.200 2.797 1.00 1.19 H new ATOM 1747 N ASN A 114 10.617 -1.999 5.618 1.00 0.29 N ATOM 1748 CA ASN A 114 12.008 -1.708 5.934 1.00 0.32 C ATOM 1749 C ASN A 114 12.886 -2.133 4.772 1.00 0.32 C ATOM 1750 O ASN A 114 12.911 -3.307 4.400 1.00 0.35 O ATOM 1751 CB ASN A 114 12.461 -2.413 7.224 1.00 0.42 C ATOM 1752 CG ASN A 114 11.835 -1.835 8.486 1.00 0.84 C ATOM 1753 OD1 ASN A 114 12.472 -1.783 9.536 1.00 1.63 O ATOM 1754 ND2 ASN A 114 10.585 -1.410 8.403 1.00 1.28 N ATOM 0 H ASN A 114 10.318 -2.947 5.847 1.00 0.29 H new ATOM 0 HA ASN A 114 12.102 -0.635 6.099 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.211 -3.472 7.157 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.546 -2.346 7.303 1.00 0.42 H new ATOM 0 HD21 ASN A 114 10.122 -1.025 9.226 1.00 1.28 H new ATOM 0 HD22 ASN A 114 10.085 -1.467 7.516 1.00 1.28 H new ATOM 1761 N ASN A 115 13.584 -1.178 4.187 1.00 0.34 N ATOM 1762 CA ASN A 115 14.408 -1.454 3.027 1.00 0.39 C ATOM 1763 C ASN A 115 15.876 -1.505 3.419 1.00 0.43 C ATOM 1764 O ASN A 115 16.415 -0.563 4.006 1.00 0.50 O ATOM 1765 CB ASN A 115 14.203 -0.407 1.927 1.00 0.48 C ATOM 1766 CG ASN A 115 12.757 -0.276 1.485 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.276 -1.051 0.659 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.063 0.725 2.004 1.00 0.60 N ATOM 0 H ASN A 115 13.597 -0.206 4.496 1.00 0.34 H new ATOM 0 HA ASN A 115 14.104 -2.424 2.634 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.555 0.560 2.285 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.817 -0.670 1.065 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.094 0.875 1.721 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.497 1.347 2.687 1.00 0.60 H new ATOM 1775 N GLU A 116 16.506 -2.620 3.106 1.00 0.42 N ATOM 1776 CA GLU A 116 17.925 -2.810 3.349 1.00 0.50 C ATOM 1777 C GLU A 116 18.512 -3.678 2.248 1.00 0.45 C ATOM 1778 O GLU A 116 17.798 -4.458 1.627 1.00 0.54 O ATOM 1779 CB GLU A 116 18.169 -3.447 4.721 1.00 0.69 C ATOM 1780 CG GLU A 116 17.425 -4.756 4.935 1.00 1.26 C ATOM 1781 CD GLU A 116 17.757 -5.400 6.265 1.00 1.58 C ATOM 1782 OE1 GLU A 116 18.488 -4.782 7.062 1.00 1.97 O ATOM 1783 OE2 GLU A 116 17.275 -6.523 6.526 1.00 1.87 O ATOM 0 H GLU A 116 16.048 -3.423 2.675 1.00 0.42 H new ATOM 0 HA GLU A 116 18.416 -1.837 3.345 1.00 0.50 H new ATOM 0 HB2 GLU A 116 19.238 -3.624 4.843 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.872 -2.741 5.496 1.00 0.69 H new ATOM 0 HG2 GLU A 116 16.352 -4.573 4.881 1.00 1.26 H new ATOM 0 HG3 GLU A 116 17.672 -5.447 4.129 1.00 1.26 H new ATOM 1790 N TYR A 117 19.802 -3.526 2.001 1.00 0.46 N ATOM 1791 CA TYR A 117 20.479 -4.236 0.930 1.00 0.46 C ATOM 1792 C TYR A 117 20.377 -5.750 1.095 1.00 0.52 C ATOM 1793 O TYR A 117 20.345 -6.268 2.211 1.00 0.60 O ATOM 1794 CB TYR A 117 21.940 -3.813 0.884 1.00 0.48 C ATOM 1795 CG TYR A 117 22.122 -2.319 0.766 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.957 -1.675 -0.452 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.453 -1.551 1.875 1.00 0.54 C ATOM 1798 CE1 TYR A 117 22.120 -0.314 -0.562 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.616 -0.185 1.773 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.448 0.430 0.551 1.00 0.60 C ATOM 1801 OH TYR A 117 22.604 1.790 0.440 1.00 0.69 O ATOM 0 H TYR A 117 20.409 -2.907 2.538 1.00 0.46 H new ATOM 0 HA TYR A 117 19.988 -3.977 -0.008 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.442 -4.164 1.786 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.426 -4.300 0.039 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.697 -2.252 -1.327 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.585 -2.031 2.833 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.991 0.171 -1.518 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.873 0.398 2.645 1.00 0.59 H new ATOM 0 HH TYR A 117 22.833 2.166 1.316 1.00 0.69 H new ATOM 1811 N THR A 118 20.332 -6.440 -0.034 1.00 0.54 N ATOM 1812 CA THR A 118 20.205 -7.886 -0.065 1.00 0.65 C ATOM 1813 C THR A 118 21.549 -8.547 0.200 1.00 0.74 C ATOM 1814 O THR A 118 21.644 -9.542 0.924 1.00 0.84 O ATOM 1815 CB THR A 118 19.677 -8.352 -1.435 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.425 -7.712 -2.480 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.202 -8.027 -1.594 1.00 0.77 C ATOM 0 H THR A 118 20.383 -6.010 -0.957 1.00 0.54 H new ATOM 0 HA THR A 118 19.500 -8.177 0.714 1.00 0.65 H new ATOM 0 HB THR A 118 19.798 -9.433 -1.499 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.090 -8.010 -3.352 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.858 -8.368 -2.570 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.632 -8.530 -0.813 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.056 -6.950 -1.513 1.00 0.77 H new ATOM 1825 N GLU A 119 22.588 -7.972 -0.387 1.00 0.78 N ATOM 1826 CA GLU A 119 23.929 -8.515 -0.270 1.00 0.92 C ATOM 1827 C GLU A 119 24.546 -8.145 1.065 1.00 0.95 C ATOM 1828 O GLU A 119 24.431 -7.003 1.521 1.00 0.90 O ATOM 1829 CB GLU A 119 24.816 -8.014 -1.408 1.00 1.00 C ATOM 1830 CG GLU A 119 24.428 -8.568 -2.765 1.00 1.29 C ATOM 1831 CD GLU A 119 25.396 -8.162 -3.854 1.00 1.50 C ATOM 1832 OE1 GLU A 119 26.540 -8.654 -3.851 1.00 1.67 O ATOM 1833 OE2 GLU A 119 25.018 -7.347 -4.717 1.00 2.24 O ATOM 0 H GLU A 119 22.525 -7.125 -0.952 1.00 0.78 H new ATOM 0 HA GLU A 119 23.856 -9.601 -0.333 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.770 -6.926 -1.442 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.851 -8.283 -1.197 1.00 1.00 H new ATOM 0 HG2 GLU A 119 24.383 -9.656 -2.710 1.00 1.29 H new ATOM 0 HG3 GLU A 119 23.428 -8.220 -3.024 1.00 1.29 H new ATOM 1840 N THR A 120 25.205 -9.117 1.681 1.00 1.07 N ATOM 1841 CA THR A 120 25.849 -8.916 2.966 1.00 1.14 C ATOM 1842 C THR A 120 26.831 -7.749 2.913 1.00 1.12 C ATOM 1843 O THR A 120 26.826 -6.901 3.799 1.00 1.13 O ATOM 1844 CB THR A 120 26.584 -10.190 3.422 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.672 -11.298 3.443 1.00 1.36 O ATOM 1846 CG2 THR A 120 27.189 -10.003 4.806 1.00 1.41 C ATOM 0 H THR A 120 25.306 -10.060 1.305 1.00 1.07 H new ATOM 0 HA THR A 120 25.066 -8.683 3.688 1.00 1.14 H new ATOM 0 HB THR A 120 27.389 -10.391 2.715 1.00 1.31 H new ATOM 0 HG1 THR A 120 26.145 -12.106 3.732 1.00 1.36 H new ATOM 0 HG21 THR A 120 27.702 -10.917 5.105 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.901 -9.178 4.784 1.00 1.41 H new ATOM 0 HG23 THR A 120 26.398 -9.780 5.522 1.00 1.41 H new ATOM 1854 N GLU A 121 27.637 -7.685 1.854 1.00 1.13 N ATOM 1855 CA GLU A 121 28.644 -6.634 1.726 1.00 1.14 C ATOM 1856 C GLU A 121 27.998 -5.251 1.690 1.00 1.03 C ATOM 1857 O GLU A 121 28.550 -4.291 2.223 1.00 1.09 O ATOM 1858 CB GLU A 121 29.491 -6.827 0.468 1.00 1.18 C ATOM 1859 CG GLU A 121 30.613 -5.807 0.348 1.00 1.27 C ATOM 1860 CD GLU A 121 31.293 -5.827 -1.002 1.00 1.56 C ATOM 1861 OE1 GLU A 121 32.237 -6.624 -1.181 1.00 2.05 O ATOM 1862 OE2 GLU A 121 30.872 -5.066 -1.896 1.00 2.21 O ATOM 0 H GLU A 121 27.612 -8.345 1.077 1.00 1.13 H new ATOM 0 HA GLU A 121 29.289 -6.704 2.602 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.918 -7.830 0.474 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.849 -6.759 -0.410 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.211 -4.811 0.530 1.00 1.27 H new ATOM 0 HG3 GLU A 121 31.354 -5.998 1.124 1.00 1.27 H new ATOM 1869 N LEU A 122 26.818 -5.149 1.089 1.00 0.90 N ATOM 1870 CA LEU A 122 26.163 -3.862 0.966 1.00 0.82 C ATOM 1871 C LEU A 122 25.550 -3.458 2.299 1.00 0.82 C ATOM 1872 O LEU A 122 25.294 -2.283 2.542 1.00 0.83 O ATOM 1873 CB LEU A 122 25.107 -3.908 -0.132 1.00 0.75 C ATOM 1874 CG LEU A 122 25.653 -4.176 -1.533 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.520 -4.244 -2.538 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.657 -3.102 -1.929 1.00 0.87 C ATOM 0 H LEU A 122 26.305 -5.933 0.686 1.00 0.90 H new ATOM 0 HA LEU A 122 26.903 -3.111 0.690 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.380 -4.682 0.114 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.571 -2.959 -0.141 1.00 0.75 H new ATOM 0 HG LEU A 122 26.166 -5.138 -1.526 1.00 0.82 H new ATOM 0 HD11 LEU A 122 24.926 -4.436 -3.531 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.838 -5.049 -2.263 1.00 0.88 H new ATOM 0 HD13 LEU A 122 23.981 -3.297 -2.543 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.036 -3.309 -2.930 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.170 -2.127 -1.920 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.486 -3.100 -1.221 1.00 0.87 H new ATOM 1888 N ARG A 123 25.319 -4.442 3.158 1.00 0.86 N ATOM 1889 CA ARG A 123 24.873 -4.173 4.519 1.00 0.94 C ATOM 1890 C ARG A 123 26.076 -3.846 5.393 1.00 1.11 C ATOM 1891 O ARG A 123 25.980 -3.066 6.340 1.00 1.19 O ATOM 1892 CB ARG A 123 24.122 -5.371 5.090 1.00 0.98 C ATOM 1893 CG ARG A 123 23.029 -5.885 4.176 1.00 0.89 C ATOM 1894 CD ARG A 123 22.192 -6.953 4.856 1.00 1.00 C ATOM 1895 NE ARG A 123 21.310 -6.389 5.880 1.00 1.20 N ATOM 1896 CZ ARG A 123 21.464 -6.573 7.192 1.00 1.56 C ATOM 1897 NH1 ARG A 123 22.463 -7.316 7.657 1.00 1.82 N ATOM 1898 NH2 ARG A 123 20.607 -6.020 8.040 1.00 2.03 N ATOM 0 H ARG A 123 25.433 -5.431 2.938 1.00 0.86 H new ATOM 0 HA ARG A 123 24.193 -3.322 4.503 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.831 -6.176 5.285 1.00 0.98 H new ATOM 0 HB3 ARG A 123 23.684 -5.093 6.048 1.00 0.98 H new ATOM 0 HG2 ARG A 123 22.388 -5.057 3.872 1.00 0.89 H new ATOM 0 HG3 ARG A 123 23.474 -6.293 3.268 1.00 0.89 H new ATOM 0 HD2 ARG A 123 21.593 -7.475 4.109 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.849 -7.693 5.312 1.00 1.00 H new ATOM 0 HE ARG A 123 20.525 -5.817 5.569 1.00 1.20 H new ATOM 0 HH11 ARG A 123 23.120 -7.751 7.009 1.00 1.82 H new ATOM 0 HH12 ARG A 123 22.573 -7.451 8.662 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.833 -5.456 7.688 1.00 2.03 H new ATOM 0 HH22 ARG A 123 20.722 -6.159 9.044 1.00 2.03 H new ATOM 1912 N GLU A 124 27.206 -4.468 5.066 1.00 1.20 N ATOM 1913 CA GLU A 124 28.478 -4.172 5.717 1.00 1.39 C ATOM 1914 C GLU A 124 28.821 -2.701 5.543 1.00 1.37 C ATOM 1915 O GLU A 124 29.201 -2.021 6.500 1.00 1.49 O ATOM 1916 CB GLU A 124 29.602 -5.022 5.113 1.00 1.53 C ATOM 1917 CG GLU A 124 29.407 -6.522 5.273 1.00 1.66 C ATOM 1918 CD GLU A 124 29.777 -7.028 6.648 1.00 2.03 C ATOM 1919 OE1 GLU A 124 29.249 -6.486 7.642 1.00 2.06 O ATOM 1920 OE2 GLU A 124 30.598 -7.958 6.748 1.00 2.84 O ATOM 0 H GLU A 124 27.265 -5.188 4.346 1.00 1.20 H new ATOM 0 HA GLU A 124 28.381 -4.406 6.777 1.00 1.39 H new ATOM 0 HB2 GLU A 124 29.687 -4.790 4.051 1.00 1.53 H new ATOM 0 HB3 GLU A 124 30.546 -4.738 5.578 1.00 1.53 H new ATOM 0 HG2 GLU A 124 28.365 -6.770 5.070 1.00 1.66 H new ATOM 0 HG3 GLU A 124 30.009 -7.042 4.528 1.00 1.66 H new ATOM 1927 N ASN A 125 28.687 -2.216 4.315 1.00 1.27 N ATOM 1928 CA ASN A 125 28.971 -0.826 4.005 1.00 1.30 C ATOM 1929 C ASN A 125 27.964 -0.284 2.999 1.00 1.14 C ATOM 1930 O ASN A 125 28.084 -0.511 1.795 1.00 1.10 O ATOM 1931 CB ASN A 125 30.413 -0.656 3.489 1.00 1.45 C ATOM 1932 CG ASN A 125 30.833 -1.721 2.482 1.00 1.58 C ATOM 1933 OD1 ASN A 125 30.634 -1.579 1.276 1.00 2.19 O ATOM 1934 ND2 ASN A 125 31.447 -2.787 2.975 1.00 1.62 N ATOM 0 H ASN A 125 28.381 -2.771 3.515 1.00 1.27 H new ATOM 0 HA ASN A 125 28.878 -0.248 4.925 1.00 1.30 H new ATOM 0 HB2 ASN A 125 30.511 0.327 3.027 1.00 1.45 H new ATOM 0 HB3 ASN A 125 31.098 -0.680 4.337 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.772 -3.524 2.349 1.00 1.62 H new ATOM 0 HD22 ASN A 125 31.595 -2.871 3.981 1.00 1.62 H new ATOM 1941 N PRO A 126 26.919 0.400 3.492 1.00 1.13 N ATOM 1942 CA PRO A 126 25.942 1.064 2.633 1.00 1.06 C ATOM 1943 C PRO A 126 26.607 2.100 1.739 1.00 1.09 C ATOM 1944 O PRO A 126 27.236 3.043 2.226 1.00 1.19 O ATOM 1945 CB PRO A 126 24.984 1.742 3.618 1.00 1.15 C ATOM 1946 CG PRO A 126 25.147 0.975 4.883 1.00 1.23 C ATOM 1947 CD PRO A 126 26.592 0.564 4.917 1.00 1.24 C ATOM 0 HA PRO A 126 25.441 0.366 1.962 1.00 1.06 H new ATOM 0 HB2 PRO A 126 25.235 2.794 3.756 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.955 1.704 3.261 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.892 1.586 5.749 1.00 1.23 H new ATOM 0 HG3 PRO A 126 24.491 0.105 4.902 1.00 1.23 H new ATOM 0 HD2 PRO A 126 27.217 1.321 5.391 1.00 1.24 H new ATOM 0 HD3 PRO A 126 26.736 -0.362 5.474 1.00 1.24 H new ATOM 1955 N PRO A 127 26.494 1.923 0.420 1.00 1.05 N ATOM 1956 CA PRO A 127 27.104 2.827 -0.558 1.00 1.13 C ATOM 1957 C PRO A 127 26.583 4.254 -0.420 1.00 1.19 C ATOM 1958 O PRO A 127 25.550 4.483 0.215 1.00 1.14 O ATOM 1959 CB PRO A 127 26.696 2.223 -1.908 1.00 1.11 C ATOM 1960 CG PRO A 127 26.356 0.805 -1.600 1.00 1.01 C ATOM 1961 CD PRO A 127 25.765 0.826 -0.226 1.00 0.97 C ATOM 0 HA PRO A 127 28.183 2.906 -0.430 1.00 1.13 H new ATOM 0 HB2 PRO A 127 25.844 2.751 -2.337 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.508 2.287 -2.632 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.648 0.404 -2.326 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.243 0.172 -1.636 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.691 1.012 -0.250 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.914 -0.121 0.294 1.00 0.97 H new ATOM 1969 N VAL A 128 27.310 5.198 -1.011 1.00 1.34 N ATOM 1970 CA VAL A 128 26.960 6.620 -0.944 1.00 1.44 C ATOM 1971 C VAL A 128 25.522 6.827 -1.359 1.00 1.22 C ATOM 1972 O VAL A 128 24.731 7.441 -0.641 1.00 1.28 O ATOM 1973 CB VAL A 128 27.838 7.462 -1.882 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.827 8.930 -1.482 1.00 1.92 C ATOM 1975 CG2 VAL A 128 29.240 6.908 -1.921 1.00 2.16 C ATOM 0 H VAL A 128 28.155 5.004 -1.548 1.00 1.34 H new ATOM 0 HA VAL A 128 27.117 6.936 0.087 1.00 1.44 H new ATOM 0 HB VAL A 128 27.422 7.404 -2.888 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.458 9.498 -2.166 1.00 1.92 H new ATOM 0 HG12 VAL A 128 26.807 9.312 -1.527 1.00 1.92 H new ATOM 0 HG13 VAL A 128 28.208 9.033 -0.466 1.00 1.92 H new ATOM 0 HG21 VAL A 128 29.852 7.514 -2.589 1.00 2.16 H new ATOM 0 HG22 VAL A 128 29.668 6.929 -0.919 1.00 2.16 H new ATOM 0 HG23 VAL A 128 29.215 5.880 -2.283 1.00 2.16 H new ATOM 1985 N LYS A 129 25.196 6.317 -2.533 1.00 1.07 N ATOM 1986 CA LYS A 129 23.844 6.374 -3.014 1.00 0.88 C ATOM 1987 C LYS A 129 23.187 5.010 -2.864 1.00 0.76 C ATOM 1988 O LYS A 129 23.629 4.035 -3.482 1.00 0.80 O ATOM 1989 CB LYS A 129 23.799 6.840 -4.472 1.00 1.00 C ATOM 1990 CG LYS A 129 24.166 8.303 -4.648 1.00 1.12 C ATOM 1991 CD LYS A 129 23.210 9.200 -3.880 1.00 1.29 C ATOM 1992 CE LYS A 129 23.607 10.663 -3.968 1.00 1.46 C ATOM 1993 NZ LYS A 129 22.648 11.535 -3.240 1.00 1.96 N ATOM 0 H LYS A 129 25.855 5.861 -3.164 1.00 1.07 H new ATOM 0 HA LYS A 129 23.292 7.101 -2.418 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.481 6.228 -5.063 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.797 6.674 -4.868 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.186 8.470 -4.301 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.143 8.563 -5.706 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.201 9.074 -4.272 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.186 8.893 -2.834 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.606 10.795 -3.554 1.00 1.46 H new ATOM 0 HE3 LYS A 129 23.653 10.966 -5.014 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 22.950 12.527 -3.321 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 21.699 11.427 -3.652 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 22.623 11.262 -2.237 1.00 1.96 H new ATOM 2007 N PRO A 130 22.136 4.922 -2.028 1.00 0.66 N ATOM 2008 CA PRO A 130 21.422 3.673 -1.770 1.00 0.57 C ATOM 2009 C PRO A 130 21.005 2.989 -3.058 1.00 0.52 C ATOM 2010 O PRO A 130 20.745 3.640 -4.072 1.00 0.64 O ATOM 2011 CB PRO A 130 20.191 4.102 -0.964 1.00 0.55 C ATOM 2012 CG PRO A 130 20.132 5.585 -1.097 1.00 0.64 C ATOM 2013 CD PRO A 130 21.549 6.035 -1.280 1.00 0.71 C ATOM 0 HA PRO A 130 22.045 2.951 -1.242 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.285 3.636 -1.351 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.281 3.804 0.081 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.516 5.877 -1.947 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.689 6.040 -0.211 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.610 6.973 -1.832 1.00 0.71 H new ATOM 0 HD3 PRO A 130 22.052 6.194 -0.326 1.00 0.71 H new ATOM 2021 N ASP A 131 20.923 1.679 -3.012 1.00 0.45 N ATOM 2022 CA ASP A 131 20.762 0.907 -4.226 1.00 0.45 C ATOM 2023 C ASP A 131 19.413 0.223 -4.241 1.00 0.39 C ATOM 2024 O ASP A 131 19.161 -0.687 -3.458 1.00 0.39 O ATOM 2025 CB ASP A 131 21.879 -0.124 -4.363 1.00 0.53 C ATOM 2026 CG ASP A 131 22.054 -0.574 -5.794 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.294 -1.445 -6.250 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.952 -0.041 -6.476 1.00 1.06 O ATOM 0 H ASP A 131 20.965 1.128 -2.155 1.00 0.45 H new ATOM 0 HA ASP A 131 20.818 1.589 -5.074 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.814 0.302 -3.999 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.656 -0.987 -3.735 1.00 0.53 H new ATOM 2033 N PHE A 132 18.559 0.670 -5.142 1.00 0.38 N ATOM 2034 CA PHE A 132 17.198 0.171 -5.230 1.00 0.35 C ATOM 2035 C PHE A 132 17.186 -1.190 -5.908 1.00 0.37 C ATOM 2036 O PHE A 132 16.279 -1.997 -5.707 1.00 0.38 O ATOM 2037 CB PHE A 132 16.332 1.168 -6.004 1.00 0.38 C ATOM 2038 CG PHE A 132 16.290 2.537 -5.385 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.330 3.435 -5.578 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.214 2.927 -4.604 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.298 4.690 -5.006 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.177 4.183 -4.029 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.221 5.066 -4.230 1.00 0.46 C ATOM 0 H PHE A 132 18.787 1.386 -5.831 1.00 0.38 H new ATOM 0 HA PHE A 132 16.788 0.058 -4.226 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.711 1.251 -7.023 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.316 0.778 -6.072 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.176 3.148 -6.184 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.395 2.242 -4.443 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.115 5.378 -5.166 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.332 4.475 -3.423 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.194 6.048 -3.781 1.00 0.46 H new ATOM 2053 N SER A 133 18.218 -1.443 -6.696 1.00 0.42 N ATOM 2054 CA SER A 133 18.369 -2.710 -7.390 1.00 0.47 C ATOM 2055 C SER A 133 18.760 -3.808 -6.405 1.00 0.48 C ATOM 2056 O SER A 133 18.460 -4.985 -6.617 1.00 0.62 O ATOM 2057 CB SER A 133 19.426 -2.579 -8.491 1.00 0.54 C ATOM 2058 OG SER A 133 19.555 -3.778 -9.235 1.00 1.46 O ATOM 0 H SER A 133 18.972 -0.778 -6.872 1.00 0.42 H new ATOM 0 HA SER A 133 17.417 -2.979 -7.847 1.00 0.47 H new ATOM 0 HB2 SER A 133 19.156 -1.762 -9.160 1.00 0.54 H new ATOM 0 HB3 SER A 133 20.387 -2.322 -8.045 1.00 0.54 H new ATOM 0 HG SER A 133 20.236 -3.660 -9.930 1.00 1.46 H new ATOM 2064 N LYS A 134 19.390 -3.408 -5.309 1.00 0.40 N ATOM 2065 CA LYS A 134 19.895 -4.349 -4.323 1.00 0.43 C ATOM 2066 C LYS A 134 19.155 -4.167 -3.024 1.00 0.39 C ATOM 2067 O LYS A 134 19.606 -4.600 -1.968 1.00 0.46 O ATOM 2068 CB LYS A 134 21.389 -4.129 -4.091 1.00 0.48 C ATOM 2069 CG LYS A 134 22.255 -4.537 -5.273 1.00 0.65 C ATOM 2070 CD LYS A 134 22.051 -5.997 -5.641 1.00 0.78 C ATOM 2071 CE LYS A 134 22.800 -6.363 -6.914 1.00 1.00 C ATOM 2072 NZ LYS A 134 22.314 -5.597 -8.093 1.00 1.87 N ATOM 0 H LYS A 134 19.564 -2.429 -5.081 1.00 0.40 H new ATOM 0 HA LYS A 134 19.741 -5.362 -4.696 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.563 -3.076 -3.870 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.699 -4.694 -3.212 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.018 -3.909 -6.132 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.304 -4.365 -5.032 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.392 -6.630 -4.822 1.00 0.78 H new ATOM 0 HD3 LYS A 134 20.987 -6.194 -5.774 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.864 -6.174 -6.774 1.00 1.00 H new ATOM 0 HE3 LYS A 134 22.688 -7.430 -7.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 22.632 -6.065 -8.966 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 21.275 -5.560 -8.079 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 22.695 -4.630 -8.060 1.00 1.87 H new ATOM 2086 N LEU A 135 18.014 -3.522 -3.111 1.00 0.41 N ATOM 2087 CA LEU A 135 17.257 -3.186 -1.935 1.00 0.40 C ATOM 2088 C LEU A 135 16.161 -4.205 -1.705 1.00 0.41 C ATOM 2089 O LEU A 135 15.370 -4.495 -2.599 1.00 0.46 O ATOM 2090 CB LEU A 135 16.673 -1.790 -2.072 1.00 0.41 C ATOM 2091 CG LEU A 135 16.668 -0.986 -0.788 1.00 0.36 C ATOM 2092 CD1 LEU A 135 18.081 -0.864 -0.233 1.00 0.79 C ATOM 2093 CD2 LEU A 135 16.061 0.382 -1.032 1.00 0.74 C ATOM 0 H LEU A 135 17.592 -3.220 -3.989 1.00 0.41 H new ATOM 0 HA LEU A 135 17.922 -3.200 -1.071 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.240 -1.244 -2.826 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.650 -1.872 -2.440 1.00 0.41 H new ATOM 0 HG LEU A 135 16.058 -1.505 -0.048 1.00 0.36 H new ATOM 0 HD11 LEU A 135 18.061 -0.284 0.689 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.478 -1.858 -0.028 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.717 -0.363 -0.963 1.00 0.79 H new ATOM 0 HD21 LEU A 135 16.062 0.952 -0.103 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.647 0.912 -1.783 1.00 0.74 H new ATOM 0 HD23 LEU A 135 15.036 0.268 -1.386 1.00 0.74 H new ATOM 2105 N GLN A 136 16.132 -4.751 -0.509 1.00 0.40 N ATOM 2106 CA GLN A 136 15.160 -5.757 -0.144 1.00 0.41 C ATOM 2107 C GLN A 136 14.085 -5.139 0.731 1.00 0.38 C ATOM 2108 O GLN A 136 14.383 -4.535 1.764 1.00 0.44 O ATOM 2109 CB GLN A 136 15.835 -6.903 0.605 1.00 0.46 C ATOM 2110 CG GLN A 136 14.986 -8.155 0.677 1.00 0.58 C ATOM 2111 CD GLN A 136 15.576 -9.202 1.595 1.00 0.79 C ATOM 2112 OE1 GLN A 136 16.342 -10.062 1.164 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.229 -9.128 2.870 1.00 0.72 N ATOM 0 H GLN A 136 16.783 -4.509 0.238 1.00 0.40 H new ATOM 0 HA GLN A 136 14.706 -6.150 -1.054 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.780 -7.141 0.116 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.074 -6.576 1.617 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.987 -7.893 1.025 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.876 -8.574 -0.323 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.590 -8.397 3.183 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.600 -9.802 3.540 1.00 0.72 H new ATOM 2122 N ARG A 137 12.843 -5.283 0.312 1.00 0.36 N ATOM 2123 CA ARG A 137 11.722 -4.751 1.059 1.00 0.35 C ATOM 2124 C ARG A 137 11.241 -5.759 2.086 1.00 0.35 C ATOM 2125 O ARG A 137 10.711 -6.816 1.734 1.00 0.39 O ATOM 2126 CB ARG A 137 10.567 -4.385 0.129 1.00 0.43 C ATOM 2127 CG ARG A 137 10.949 -3.397 -0.956 1.00 1.02 C ATOM 2128 CD ARG A 137 9.722 -2.782 -1.605 1.00 1.29 C ATOM 2129 NE ARG A 137 8.773 -3.795 -2.070 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.421 -3.948 -3.342 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.997 -3.220 -4.287 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.489 -4.826 -3.666 1.00 2.05 N ATOM 0 H ARG A 137 12.585 -5.767 -0.548 1.00 0.36 H new ATOM 0 HA ARG A 137 12.063 -3.850 1.569 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.185 -5.293 -0.337 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.754 -3.965 0.721 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.570 -2.609 -0.530 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.549 -3.901 -1.714 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.227 -2.124 -0.891 1.00 1.29 H new ATOM 0 HD3 ARG A 137 10.031 -2.163 -2.447 1.00 1.29 H new ATOM 0 HE ARG A 137 8.358 -4.419 -1.378 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.714 -2.538 -4.040 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.723 -3.341 -5.262 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.041 -5.385 -2.940 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.217 -4.945 -4.642 1.00 2.05 H new ATOM 2146 N ASN A 138 11.457 -5.439 3.350 1.00 0.35 N ATOM 2147 CA ASN A 138 10.917 -6.225 4.443 1.00 0.39 C ATOM 2148 C ASN A 138 9.696 -5.509 5.004 1.00 0.39 C ATOM 2149 O ASN A 138 9.809 -4.663 5.896 1.00 0.49 O ATOM 2150 CB ASN A 138 11.971 -6.437 5.540 1.00 0.45 C ATOM 2151 CG ASN A 138 11.488 -7.347 6.660 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.676 -8.561 6.612 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.869 -6.767 7.678 1.00 0.67 N ATOM 0 H ASN A 138 12.008 -4.633 3.645 1.00 0.35 H new ATOM 0 HA ASN A 138 10.628 -7.209 4.073 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.870 -6.863 5.095 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.250 -5.471 5.959 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.530 -7.331 8.457 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.731 -5.756 7.682 1.00 0.67 H new ATOM 2160 N ILE A 139 8.542 -5.801 4.428 1.00 0.37 N ATOM 2161 CA ILE A 139 7.298 -5.180 4.846 1.00 0.36 C ATOM 2162 C ILE A 139 6.765 -5.845 6.103 1.00 0.37 C ATOM 2163 O ILE A 139 6.514 -7.047 6.126 1.00 0.46 O ATOM 2164 CB ILE A 139 6.237 -5.247 3.728 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.798 -4.614 2.454 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.953 -4.549 4.161 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.827 -4.583 1.291 1.00 0.48 C ATOM 0 H ILE A 139 8.442 -6.469 3.664 1.00 0.37 H new ATOM 0 HA ILE A 139 7.508 -4.132 5.059 1.00 0.36 H new ATOM 0 HB ILE A 139 5.995 -6.291 3.528 1.00 0.39 H new ATOM 0 HG12 ILE A 139 7.112 -3.594 2.677 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.690 -5.163 2.152 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.218 -4.608 3.358 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.557 -5.036 5.052 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.165 -3.503 4.383 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.306 -4.118 0.429 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.531 -5.601 1.037 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.944 -4.008 1.569 1.00 0.48 H new ATOM 2179 N LEU A 140 6.603 -5.052 7.144 1.00 0.35 N ATOM 2180 CA LEU A 140 6.131 -5.552 8.424 1.00 0.39 C ATOM 2181 C LEU A 140 4.638 -5.836 8.374 1.00 0.36 C ATOM 2182 O LEU A 140 3.822 -5.001 8.760 1.00 0.37 O ATOM 2183 CB LEU A 140 6.440 -4.545 9.534 1.00 0.47 C ATOM 2184 CG LEU A 140 7.923 -4.214 9.714 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.103 -3.134 10.766 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.708 -5.460 10.096 1.00 0.99 C ATOM 0 H LEU A 140 6.793 -4.050 7.129 1.00 0.35 H new ATOM 0 HA LEU A 140 6.652 -6.485 8.640 1.00 0.39 H new ATOM 0 HB2 LEU A 140 5.900 -3.621 9.326 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.054 -4.935 10.476 1.00 0.47 H new ATOM 0 HG LEU A 140 8.308 -3.842 8.765 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.164 -2.911 10.881 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.574 -2.233 10.456 1.00 0.88 H new ATOM 0 HD13 LEU A 140 7.700 -3.482 11.717 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.760 -5.204 10.219 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.320 -5.862 11.032 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.607 -6.209 9.310 1.00 0.99 H new ATOM 2198 N ALA A 141 4.285 -7.011 7.869 1.00 0.39 N ATOM 2199 CA ALA A 141 2.890 -7.426 7.795 1.00 0.42 C ATOM 2200 C ALA A 141 2.375 -7.830 9.169 1.00 0.49 C ATOM 2201 O ALA A 141 1.170 -7.879 9.406 1.00 0.55 O ATOM 2202 CB ALA A 141 2.733 -8.569 6.807 1.00 0.48 C ATOM 0 H ALA A 141 4.947 -7.695 7.504 1.00 0.39 H new ATOM 0 HA ALA A 141 2.296 -6.581 7.446 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.686 -8.869 6.761 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.061 -8.244 5.820 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.339 -9.415 7.130 1.00 0.48 H new ATOM 2208 N SER A 142 3.304 -8.109 10.077 1.00 0.52 N ATOM 2209 CA SER A 142 2.959 -8.470 11.445 1.00 0.62 C ATOM 2210 C SER A 142 2.574 -7.227 12.248 1.00 0.61 C ATOM 2211 O SER A 142 2.066 -7.325 13.365 1.00 0.70 O ATOM 2212 CB SER A 142 4.136 -9.193 12.102 1.00 0.72 C ATOM 2213 OG SER A 142 4.547 -10.298 11.313 1.00 1.42 O ATOM 0 H SER A 142 4.306 -8.092 9.888 1.00 0.52 H new ATOM 0 HA SER A 142 2.099 -9.140 11.428 1.00 0.62 H new ATOM 0 HB2 SER A 142 4.969 -8.501 12.230 1.00 0.72 H new ATOM 0 HB3 SER A 142 3.850 -9.536 13.096 1.00 0.72 H new ATOM 0 HG SER A 142 5.302 -10.748 11.748 1.00 1.42 H new ATOM 2219 N ASN A 143 2.813 -6.057 11.666 1.00 0.56 N ATOM 2220 CA ASN A 143 2.440 -4.797 12.295 1.00 0.60 C ATOM 2221 C ASN A 143 1.824 -3.862 11.264 1.00 0.49 C ATOM 2222 O ASN A 143 2.518 -3.049 10.649 1.00 0.49 O ATOM 2223 CB ASN A 143 3.650 -4.130 12.962 1.00 0.74 C ATOM 2224 CG ASN A 143 3.294 -2.821 13.651 1.00 1.25 C ATOM 2225 OD1 ASN A 143 2.885 -2.807 14.810 1.00 1.87 O ATOM 2226 ND2 ASN A 143 3.450 -1.710 12.946 1.00 1.91 N ATOM 0 H ASN A 143 3.265 -5.956 10.757 1.00 0.56 H new ATOM 0 HA ASN A 143 1.704 -5.009 13.071 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.080 -4.815 13.693 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.417 -3.943 12.210 1.00 0.74 H new ATOM 0 HD21 ASN A 143 3.228 -0.806 13.363 1.00 1.91 H new ATOM 0 HD22 ASN A 143 3.792 -1.759 11.986 1.00 1.91 H new ATOM 2233 N PRO A 144 0.514 -3.998 11.028 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.205 -3.157 10.093 1.00 0.43 C ATOM 2235 C PRO A 144 -0.767 -1.903 10.755 1.00 0.39 C ATOM 2236 O PRO A 144 -0.932 -1.848 11.977 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.329 -4.077 9.625 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.619 -4.962 10.793 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.372 -4.999 11.648 1.00 0.60 C ATOM 0 HA PRO A 144 0.428 -2.781 9.289 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.211 -3.506 9.335 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.025 -4.659 8.755 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.465 -4.580 11.364 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -1.886 -5.965 10.459 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.592 -4.749 12.686 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.083 -5.990 11.648 1.00 0.60 H new ATOM 2247 N ARG A 145 -1.029 -0.894 9.945 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.671 0.320 10.419 1.00 0.33 C ATOM 2249 C ARG A 145 -3.021 0.483 9.738 1.00 0.30 C ATOM 2250 O ARG A 145 -3.116 1.070 8.659 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.792 1.543 10.143 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.297 2.825 10.787 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.286 2.724 12.305 1.00 1.21 C ATOM 2254 NE ARG A 145 0.057 2.484 12.832 1.00 1.63 N ATOM 2255 CZ ARG A 145 0.315 1.729 13.899 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -0.678 1.112 14.532 1.00 3.00 N ATOM 2257 NH2 ARG A 145 1.566 1.581 14.323 1.00 3.15 N ATOM 0 H ARG A 145 -0.806 -0.891 8.950 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.816 0.241 11.496 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.217 1.341 10.502 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.723 1.692 9.066 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.674 3.662 10.472 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -2.310 3.033 10.442 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.683 3.645 12.732 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -1.947 1.916 12.619 1.00 1.21 H new ATOM 0 HE ARG A 145 0.844 2.921 12.353 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -1.637 1.217 14.201 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -0.481 0.534 15.349 1.00 3.00 H new ATOM 0 HH21 ARG A 145 2.329 2.046 13.831 1.00 3.15 H new ATOM 0 HH22 ARG A 145 1.763 1.003 15.140 1.00 3.15 H new ATOM 2271 N VAL A 146 -4.054 -0.064 10.349 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.380 -0.010 9.766 1.00 0.39 C ATOM 2273 C VAL A 146 -6.155 1.176 10.323 1.00 0.40 C ATOM 2274 O VAL A 146 -6.608 1.161 11.467 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.173 -1.310 10.013 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.553 -1.231 9.372 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.406 -2.510 9.478 1.00 1.11 C ATOM 0 H VAL A 146 -4.001 -0.549 11.245 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.254 0.107 8.690 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.303 -1.432 11.088 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -8.095 -2.158 9.559 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -8.106 -0.395 9.801 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.447 -1.083 8.297 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.979 -3.419 9.660 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.246 -2.391 8.406 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.443 -2.581 9.983 1.00 1.11 H new ATOM 2287 N THR A 147 -6.275 2.215 9.519 1.00 0.40 N ATOM 2288 CA THR A 147 -7.064 3.370 9.893 1.00 0.42 C ATOM 2289 C THR A 147 -8.301 3.446 9.028 1.00 0.35 C ATOM 2290 O THR A 147 -8.214 3.739 7.837 1.00 0.33 O ATOM 2291 CB THR A 147 -6.266 4.677 9.736 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.938 4.511 10.247 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.954 5.822 10.468 1.00 0.52 C ATOM 0 H THR A 147 -5.835 2.282 8.601 1.00 0.40 H new ATOM 0 HA THR A 147 -7.339 3.256 10.941 1.00 0.42 H new ATOM 0 HB THR A 147 -6.217 4.918 8.674 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.785 5.150 10.974 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.372 6.735 10.343 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.953 5.969 10.057 1.00 0.52 H new ATOM 0 HG23 THR A 147 -7.030 5.582 11.529 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.447 3.157 9.609 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.683 3.276 8.875 1.00 0.34 C ATOM 2303 C ARG A 148 -11.404 4.549 9.279 1.00 0.37 C ATOM 2304 O ARG A 148 -11.325 4.994 10.425 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.582 2.049 9.065 1.00 0.42 C ATOM 2306 CG ARG A 148 -12.042 1.822 10.497 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.989 0.636 10.590 1.00 0.88 C ATOM 2308 NE ARG A 148 -13.626 0.535 11.905 1.00 1.48 N ATOM 2309 CZ ARG A 148 -14.673 -0.251 12.166 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -15.184 -1.022 11.212 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -15.204 -0.274 13.380 1.00 3.00 N ATOM 0 H ARG A 148 -9.546 2.842 10.574 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.441 3.328 7.813 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.459 2.154 8.427 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -11.045 1.164 8.724 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -11.176 1.650 11.137 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.540 2.718 10.868 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.758 0.727 9.822 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.439 -0.282 10.384 1.00 0.88 H new ATOM 0 HE ARG A 148 -13.247 1.098 12.666 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -14.776 -1.014 10.277 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -15.984 -1.621 11.415 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -14.813 0.310 14.119 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -16.004 -0.876 13.575 1.00 3.00 H new ATOM 2325 N PHE A 149 -12.085 5.126 8.320 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.746 6.400 8.487 1.00 0.36 C ATOM 2327 C PHE A 149 -14.254 6.203 8.444 1.00 0.38 C ATOM 2328 O PHE A 149 -14.748 5.268 7.814 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.306 7.350 7.371 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.815 7.395 7.168 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -10.026 8.217 7.954 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.206 6.620 6.195 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.659 8.269 7.775 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.837 6.668 6.012 1.00 0.34 C ATOM 2335 CZ PHE A 149 -8.065 7.457 6.781 1.00 0.40 C ATOM 0 H PHE A 149 -12.198 4.721 7.391 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.474 6.831 9.451 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.782 7.046 6.439 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.663 8.354 7.599 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.487 8.826 8.718 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.806 5.972 5.574 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -8.051 8.921 8.385 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.381 6.064 5.241 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.994 7.470 6.640 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.982 7.072 9.119 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.432 7.004 9.108 1.00 0.51 C ATOM 2347 C HIS A 150 -16.980 8.008 8.111 1.00 0.52 C ATOM 2348 O HIS A 150 -16.904 9.217 8.328 1.00 0.60 O ATOM 2349 CB HIS A 150 -17.003 7.268 10.504 1.00 0.64 C ATOM 2350 CG HIS A 150 -16.647 6.211 11.505 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -15.554 6.298 12.336 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -17.248 5.033 11.799 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -15.493 5.222 13.096 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -16.509 4.438 12.792 1.00 2.73 N ATOM 0 H HIS A 150 -14.596 7.831 9.680 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.734 6.000 8.809 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.639 8.232 10.860 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -18.088 7.342 10.436 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.141 4.636 11.339 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -14.739 5.017 13.841 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -16.713 3.537 13.224 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.525 7.502 7.014 1.00 0.48 N ATOM 2364 CA ILE A 151 -18.007 8.346 5.940 1.00 0.50 C ATOM 2365 C ILE A 151 -19.419 7.953 5.552 1.00 0.49 C ATOM 2366 O ILE A 151 -20.023 7.075 6.163 1.00 0.55 O ATOM 2367 CB ILE A 151 -17.123 8.247 4.676 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -17.167 6.828 4.098 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.690 8.651 4.991 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.714 6.748 2.656 1.00 0.64 C ATOM 0 H ILE A 151 -17.643 6.503 6.848 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.977 9.369 6.315 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.517 8.935 3.928 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.537 6.178 4.705 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.185 6.446 4.172 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -15.084 8.575 4.088 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.673 9.679 5.354 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -15.285 7.989 5.757 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.771 5.715 2.313 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.359 7.372 2.037 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.685 7.100 2.578 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.926 8.594 4.522 1.00 0.50 N ATOM 2383 CA ASN A 152 -21.228 8.268 3.991 1.00 0.51 C ATOM 2384 C ASN A 152 -21.084 7.575 2.644 1.00 0.49 C ATOM 2385 O ASN A 152 -20.662 8.171 1.656 1.00 0.52 O ATOM 2386 CB ASN A 152 -22.098 9.525 3.896 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.429 10.673 3.159 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -20.650 11.426 3.745 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.745 10.831 1.885 1.00 1.33 N ATOM 0 H ASN A 152 -19.449 9.351 4.032 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.729 7.577 4.669 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -23.031 9.274 3.391 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -22.359 9.853 4.902 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.339 11.599 1.350 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -22.395 10.185 1.437 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.417 6.295 2.630 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.281 5.467 1.436 1.00 0.59 C ATOM 2398 C TRP A 153 -22.402 5.750 0.445 1.00 0.72 C ATOM 2399 O TRP A 153 -22.498 5.115 -0.603 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.311 3.986 1.818 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.238 3.574 2.782 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.083 3.990 4.072 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.184 2.637 2.534 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.993 3.379 4.639 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.423 2.543 3.715 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.806 1.876 1.427 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.314 1.710 3.820 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.707 1.050 1.531 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -16.971 0.975 2.721 1.00 0.53 C ATOM 0 H TRP A 153 -21.788 5.799 3.441 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.327 5.708 0.967 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.283 3.755 2.254 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.218 3.387 0.912 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.725 4.698 4.574 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.661 3.524 5.593 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.365 1.933 0.505 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.745 1.647 4.736 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.409 0.452 0.683 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.113 0.321 2.770 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.249 6.701 0.787 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.395 7.036 -0.024 1.00 0.99 C ATOM 2422 C GLU A 154 -24.433 8.534 -0.219 1.00 0.96 C ATOM 2423 O GLU A 154 -23.842 9.279 0.566 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.681 6.544 0.641 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.677 5.048 0.891 1.00 1.48 C ATOM 2426 CD GLU A 154 -26.931 4.552 1.575 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -28.042 4.890 1.116 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -26.810 3.799 2.565 1.00 2.32 O ATOM 0 H GLU A 154 -23.159 7.261 1.635 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.314 6.547 -0.995 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.818 7.066 1.588 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.532 6.800 0.010 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.560 4.528 -0.060 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -24.812 4.791 1.503 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.123 8.969 -1.252 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.189 10.380 -1.577 1.00 1.07 C ATOM 2437 C ASP A 155 -26.203 11.075 -0.677 1.00 1.02 C ATOM 2438 O ASP A 155 -27.328 11.358 -1.081 1.00 1.15 O ATOM 2439 CB ASP A 155 -25.548 10.568 -3.051 1.00 1.41 C ATOM 2440 CG ASP A 155 -25.276 11.976 -3.553 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -26.058 12.899 -3.235 1.00 1.86 O ATOM 2442 OD2 ASP A 155 -24.268 12.171 -4.266 1.00 2.49 O ATOM 0 H ASP A 155 -25.648 8.364 -1.884 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.211 10.831 -1.406 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -24.979 9.858 -3.651 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -26.603 10.334 -3.195 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.814 11.272 0.571 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.626 12.006 1.529 1.00 1.31 C ATOM 2449 C ASN A 156 -25.822 13.161 2.101 1.00 1.59 C ATOM 2450 O ASN A 156 -26.334 14.299 2.111 1.00 2.09 O ATOM 2451 CB ASN A 156 -27.118 11.093 2.661 1.00 1.55 C ATOM 2452 CG ASN A 156 -28.204 10.128 2.216 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -29.390 10.459 2.228 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -27.810 8.922 1.835 1.00 2.27 N ATOM 2455 OXT ASN A 156 -24.661 12.933 2.504 1.00 2.05 O ATOM 0 H ASN A 156 -24.930 10.930 0.949 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.502 12.393 1.009 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -26.275 10.526 3.055 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -27.498 11.708 3.477 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -28.499 8.231 1.538 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -26.818 8.685 1.839 1.00 2.27 H new TER 2462 ASN A 156