USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -4.05 F(o=-6.1!,f=-4.1) USER MOD Single : A 11 ASN : amide:sc= -1.15 K(o=-1.2,f=-8.4!) USER MOD Single : A 13 ASN : amide:sc= 1.12 K(o=1.1,f=-0.096) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -98:sc= 0.822 USER MOD Single : A 18 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.9!) USER MOD Single : A 23 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.00416) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 33 TYR OH : rot 138:sc= 1.27 USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= -0.153 (180deg=-1.54!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -2.2! C(o=-2.2!,f=-5.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -3.44! C(o=-3.4!,f=-4.6!) USER MOD Single : A 67 MET CE :methyl 159:sc= -1.75 (180deg=-2.47!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.048) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -102:sc= 0.841 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.122 -12.981 4.329 1.00 0.00 N ATOM 2 CA MET A 1 -6.912 -12.703 5.155 1.00 0.00 C ATOM 3 C MET A 1 -5.774 -12.191 4.268 1.00 0.00 C ATOM 4 O MET A 1 -4.693 -12.745 4.249 1.00 0.00 O ATOM 5 CB MET A 1 -6.539 -14.051 5.775 1.00 0.00 C ATOM 6 CG MET A 1 -7.402 -14.308 7.010 1.00 0.00 C ATOM 7 SD MET A 1 -8.128 -15.963 6.907 1.00 0.00 S ATOM 8 CE MET A 1 -9.599 -15.631 7.906 1.00 0.00 C ATOM 0 H1 MET A 1 -8.888 -13.328 4.941 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.427 -12.107 3.855 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.896 -13.702 3.614 1.00 0.00 H new ATOM 0 HA MET A 1 -7.095 -11.941 5.912 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.683 -14.849 5.047 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.484 -14.056 6.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.798 -14.220 7.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.190 -13.558 7.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.203 -16.535 7.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.297 -15.319 8.906 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.184 -14.838 7.440 1.00 0.00 H new ATOM 20 N ARG A 2 -6.006 -11.139 3.529 1.00 0.00 N ATOM 21 CA ARG A 2 -4.930 -10.603 2.646 1.00 0.00 C ATOM 22 C ARG A 2 -4.648 -9.134 2.976 1.00 0.00 C ATOM 23 O ARG A 2 -5.418 -8.481 3.653 1.00 0.00 O ATOM 24 CB ARG A 2 -5.478 -10.741 1.226 1.00 0.00 C ATOM 25 CG ARG A 2 -5.537 -12.223 0.845 1.00 0.00 C ATOM 26 CD ARG A 2 -4.550 -12.500 -0.292 1.00 0.00 C ATOM 27 NE ARG A 2 -5.337 -13.255 -1.307 1.00 0.00 N ATOM 28 CZ ARG A 2 -4.727 -14.034 -2.157 1.00 0.00 C ATOM 29 NH1 ARG A 2 -3.533 -13.728 -2.581 1.00 0.00 N ATOM 30 NH2 ARG A 2 -5.312 -15.122 -2.581 1.00 0.00 N ATOM 0 H ARG A 2 -6.889 -10.630 3.498 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.989 -11.138 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.472 -10.298 1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.843 -10.199 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.295 -12.841 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.548 -12.490 0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.156 -11.573 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.697 -13.081 0.058 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.352 -13.163 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.076 -12.879 -2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.056 -14.337 -3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.246 -15.362 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.835 -15.731 -3.246 1.00 0.00 H new ATOM 44 N ARG A 3 -3.546 -8.614 2.508 1.00 0.00 N ATOM 45 CA ARG A 3 -3.208 -7.189 2.799 1.00 0.00 C ATOM 46 C ARG A 3 -3.176 -6.371 1.505 1.00 0.00 C ATOM 47 O ARG A 3 -2.569 -6.764 0.529 1.00 0.00 O ATOM 48 CB ARG A 3 -1.816 -7.240 3.431 1.00 0.00 C ATOM 49 CG ARG A 3 -1.945 -7.520 4.929 1.00 0.00 C ATOM 50 CD ARG A 3 -0.651 -8.158 5.440 1.00 0.00 C ATOM 51 NE ARG A 3 -0.937 -8.524 6.854 1.00 0.00 N ATOM 52 CZ ARG A 3 -0.275 -9.492 7.425 1.00 0.00 C ATOM 53 NH1 ARG A 3 -0.265 -10.681 6.888 1.00 0.00 N ATOM 54 NH2 ARG A 3 0.377 -9.271 8.534 1.00 0.00 N ATOM 0 H ARG A 3 -2.864 -9.113 1.937 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.942 -6.717 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.217 -8.017 2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.297 -6.295 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.144 -6.593 5.468 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.789 -8.184 5.115 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.384 -9.035 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.186 -7.462 5.373 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.651 -8.017 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.775 -10.854 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.253 -11.438 7.335 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.369 -8.341 8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.895 -10.028 8.981 1.00 0.00 H new ATOM 68 N TYR A 4 -3.822 -5.236 1.488 1.00 0.00 N ATOM 69 CA TYR A 4 -3.822 -4.402 0.261 1.00 0.00 C ATOM 70 C TYR A 4 -3.446 -2.962 0.602 1.00 0.00 C ATOM 71 O TYR A 4 -3.456 -2.559 1.747 1.00 0.00 O ATOM 72 CB TYR A 4 -5.250 -4.459 -0.260 1.00 0.00 C ATOM 73 CG TYR A 4 -5.578 -5.869 -0.690 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.015 -6.391 -1.860 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.445 -6.653 0.081 1.00 0.00 C ATOM 76 CE1 TYR A 4 -5.319 -7.698 -2.259 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.749 -7.959 -0.319 1.00 0.00 C ATOM 78 CZ TYR A 4 -6.186 -8.482 -1.489 1.00 0.00 C ATOM 79 OH TYR A 4 -6.485 -9.770 -1.884 1.00 0.00 O ATOM 0 H TYR A 4 -4.349 -4.854 2.273 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.102 -4.759 -0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.944 -4.134 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.368 -3.775 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.347 -5.786 -2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.879 -6.250 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.884 -8.102 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.418 -8.564 0.275 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.100 -10.176 -1.238 1.00 0.00 H new ATOM 89 N GLU A 5 -3.123 -2.185 -0.388 1.00 0.00 N ATOM 90 CA GLU A 5 -2.753 -0.765 -0.134 1.00 0.00 C ATOM 91 C GLU A 5 -3.807 0.162 -0.743 1.00 0.00 C ATOM 92 O GLU A 5 -4.256 -0.038 -1.855 1.00 0.00 O ATOM 93 CB GLU A 5 -1.400 -0.578 -0.825 1.00 0.00 C ATOM 94 CG GLU A 5 -1.587 -0.624 -2.342 1.00 0.00 C ATOM 95 CD GLU A 5 -1.502 0.792 -2.912 1.00 0.00 C ATOM 96 OE1 GLU A 5 -2.330 1.608 -2.543 1.00 0.00 O ATOM 97 OE2 GLU A 5 -0.610 1.036 -3.707 1.00 0.00 O ATOM 0 H GLU A 5 -3.098 -2.471 -1.367 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.697 -0.530 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.959 0.375 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.708 -1.359 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.822 -1.255 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.552 -1.068 -2.586 1.00 0.00 H new ATOM 104 N VAL A 6 -4.213 1.170 -0.023 1.00 0.00 N ATOM 105 CA VAL A 6 -5.242 2.103 -0.563 1.00 0.00 C ATOM 106 C VAL A 6 -4.590 3.410 -1.011 1.00 0.00 C ATOM 107 O VAL A 6 -4.150 4.206 -0.203 1.00 0.00 O ATOM 108 CB VAL A 6 -6.204 2.352 0.599 1.00 0.00 C ATOM 109 CG1 VAL A 6 -7.195 3.453 0.217 1.00 0.00 C ATOM 110 CG2 VAL A 6 -6.970 1.064 0.909 1.00 0.00 C ATOM 0 H VAL A 6 -3.878 1.388 0.915 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.754 1.691 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.639 2.662 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.880 3.629 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.651 4.371 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.761 3.144 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.657 1.239 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.534 0.756 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.265 0.278 1.182 1.00 0.00 H new ATOM 120 N ASN A 7 -4.526 3.643 -2.292 1.00 0.00 N ATOM 121 CA ASN A 7 -3.907 4.898 -2.790 1.00 0.00 C ATOM 122 C ASN A 7 -4.959 6.011 -2.833 1.00 0.00 C ATOM 123 O ASN A 7 -5.713 6.130 -3.778 1.00 0.00 O ATOM 124 CB ASN A 7 -3.418 4.551 -4.198 1.00 0.00 C ATOM 125 CG ASN A 7 -3.196 5.836 -4.993 1.00 0.00 C ATOM 126 OD1 ASN A 7 -2.937 6.942 -4.355 1.00 0.00 O flip ATOM 127 ND2 ASN A 7 -3.260 5.834 -6.207 1.00 0.00 N flip ATOM 0 H ASN A 7 -4.877 3.016 -3.016 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.096 5.255 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.491 3.981 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.150 3.920 -4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.463 4.968 -6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.111 6.699 -6.727 1.00 0.00 H new ATOM 134 N ILE A 8 -5.012 6.825 -1.816 1.00 0.00 N ATOM 135 CA ILE A 8 -6.016 7.928 -1.795 1.00 0.00 C ATOM 136 C ILE A 8 -5.374 9.230 -2.278 1.00 0.00 C ATOM 137 O ILE A 8 -4.396 9.693 -1.724 1.00 0.00 O ATOM 138 CB ILE A 8 -6.448 8.053 -0.331 1.00 0.00 C ATOM 139 CG1 ILE A 8 -6.620 6.658 0.279 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.779 8.803 -0.257 1.00 0.00 C ATOM 141 CD1 ILE A 8 -5.528 6.420 1.325 1.00 0.00 C ATOM 0 H ILE A 8 -4.404 6.775 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.864 7.726 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.685 8.599 0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.604 6.569 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.563 5.899 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.088 8.893 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.661 9.797 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.538 8.254 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.650 5.428 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.549 6.491 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.606 7.172 2.110 1.00 0.00 H new ATOM 153 N VAL A 9 -5.916 9.826 -3.304 1.00 0.00 N ATOM 154 CA VAL A 9 -5.334 11.099 -3.817 1.00 0.00 C ATOM 155 C VAL A 9 -6.268 12.268 -3.494 1.00 0.00 C ATOM 156 O VAL A 9 -7.396 12.317 -3.941 1.00 0.00 O ATOM 157 CB VAL A 9 -5.216 10.907 -5.331 1.00 0.00 C ATOM 158 CG1 VAL A 9 -6.523 10.333 -5.880 1.00 0.00 C ATOM 159 CG2 VAL A 9 -4.935 12.257 -5.996 1.00 0.00 C ATOM 0 H VAL A 9 -6.735 9.488 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.369 11.324 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.399 10.217 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.436 10.197 -6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.725 9.371 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.341 11.021 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.851 12.121 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.751 12.946 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.002 12.667 -5.608 1.00 0.00 H new ATOM 169 N LEU A 10 -5.807 13.205 -2.714 1.00 0.00 N ATOM 170 CA LEU A 10 -6.671 14.366 -2.357 1.00 0.00 C ATOM 171 C LEU A 10 -6.235 15.612 -3.132 1.00 0.00 C ATOM 172 O LEU A 10 -5.112 15.711 -3.585 1.00 0.00 O ATOM 173 CB LEU A 10 -6.465 14.567 -0.857 1.00 0.00 C ATOM 174 CG LEU A 10 -7.004 13.350 -0.103 1.00 0.00 C ATOM 175 CD1 LEU A 10 -6.058 13.001 1.047 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.391 13.672 0.458 1.00 0.00 C ATOM 0 H LEU A 10 -4.871 13.218 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.718 14.191 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.406 14.704 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.978 15.470 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.074 12.502 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.442 12.134 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.070 12.772 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.987 13.848 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.776 12.806 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.320 14.520 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.066 13.920 -0.361 1.00 0.00 H new ATOM 188 N ASN A 11 -7.116 16.560 -3.288 1.00 0.00 N ATOM 189 CA ASN A 11 -6.754 17.799 -4.037 1.00 0.00 C ATOM 190 C ASN A 11 -6.122 18.825 -3.095 1.00 0.00 C ATOM 191 O ASN A 11 -6.507 18.936 -1.948 1.00 0.00 O ATOM 192 CB ASN A 11 -8.079 18.329 -4.585 1.00 0.00 C ATOM 193 CG ASN A 11 -8.996 18.708 -3.422 1.00 0.00 C ATOM 194 OD1 ASN A 11 -8.923 18.121 -2.360 1.00 0.00 O ATOM 195 ND2 ASN A 11 -9.863 19.671 -3.575 1.00 0.00 N ATOM 0 H ASN A 11 -8.071 16.532 -2.930 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.029 17.604 -4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.901 19.197 -5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.557 17.572 -5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.478 19.930 -2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.925 20.164 -4.466 1.00 0.00 H new ATOM 202 N PRO A 12 -5.167 19.544 -3.617 1.00 0.00 N ATOM 203 CA PRO A 12 -4.468 20.576 -2.823 1.00 0.00 C ATOM 204 C PRO A 12 -5.285 21.868 -2.797 1.00 0.00 C ATOM 205 O PRO A 12 -4.773 22.948 -3.013 1.00 0.00 O ATOM 206 CB PRO A 12 -3.160 20.780 -3.579 1.00 0.00 C ATOM 207 CG PRO A 12 -3.449 20.375 -4.994 1.00 0.00 C ATOM 208 CD PRO A 12 -4.651 19.459 -4.983 1.00 0.00 C ATOM 0 HA PRO A 12 -4.315 20.289 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.834 21.819 -3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.361 20.173 -3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.645 21.253 -5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.588 19.868 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.399 19.777 -5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.373 18.437 -5.239 1.00 0.00 H new ATOM 216 N ASN A 13 -6.553 21.759 -2.531 1.00 0.00 N ATOM 217 CA ASN A 13 -7.417 22.972 -2.484 1.00 0.00 C ATOM 218 C ASN A 13 -7.636 23.401 -1.030 1.00 0.00 C ATOM 219 O ASN A 13 -8.381 24.317 -0.746 1.00 0.00 O ATOM 220 CB ASN A 13 -8.732 22.533 -3.123 1.00 0.00 C ATOM 221 CG ASN A 13 -9.405 23.735 -3.790 1.00 0.00 C ATOM 222 OD1 ASN A 13 -9.714 23.698 -4.965 1.00 0.00 O ATOM 223 ND2 ASN A 13 -9.643 24.808 -3.087 1.00 0.00 N ATOM 0 H ASN A 13 -7.033 20.879 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.977 23.824 -3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.547 21.752 -3.860 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.391 22.108 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.088 25.615 -3.523 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.384 24.840 -2.101 1.00 0.00 H new ATOM 230 N LEU A 14 -6.984 22.742 -0.109 1.00 0.00 N ATOM 231 CA LEU A 14 -7.144 23.106 1.328 1.00 0.00 C ATOM 232 C LEU A 14 -5.772 23.183 2.005 1.00 0.00 C ATOM 233 O LEU A 14 -4.779 22.738 1.466 1.00 0.00 O ATOM 234 CB LEU A 14 -7.995 21.984 1.931 1.00 0.00 C ATOM 235 CG LEU A 14 -7.205 20.676 1.945 1.00 0.00 C ATOM 236 CD1 LEU A 14 -7.608 19.857 3.170 1.00 0.00 C ATOM 237 CD2 LEU A 14 -7.520 19.875 0.678 1.00 0.00 C ATOM 0 H LEU A 14 -6.347 21.966 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.614 24.080 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.294 22.248 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.910 21.859 1.352 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.138 20.896 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.047 18.923 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.390 20.425 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.675 19.638 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.957 18.942 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.587 19.654 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.241 20.458 -0.200 1.00 0.00 H new ATOM 249 N ASP A 15 -5.709 23.750 3.177 1.00 0.00 N ATOM 250 CA ASP A 15 -4.398 23.863 3.881 1.00 0.00 C ATOM 251 C ASP A 15 -4.205 22.686 4.839 1.00 0.00 C ATOM 252 O ASP A 15 -5.077 21.855 5.000 1.00 0.00 O ATOM 253 CB ASP A 15 -4.476 25.179 4.655 1.00 0.00 C ATOM 254 CG ASP A 15 -5.451 25.027 5.823 1.00 0.00 C ATOM 255 OD1 ASP A 15 -6.585 24.657 5.576 1.00 0.00 O ATOM 256 OD2 ASP A 15 -5.045 25.281 6.944 1.00 0.00 O ATOM 0 H ASP A 15 -6.507 24.140 3.679 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.556 23.846 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.489 25.454 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.805 25.982 3.995 1.00 0.00 H new ATOM 261 N GLN A 16 -3.071 22.610 5.481 1.00 0.00 N ATOM 262 CA GLN A 16 -2.831 21.486 6.433 1.00 0.00 C ATOM 263 C GLN A 16 -3.857 21.534 7.563 1.00 0.00 C ATOM 264 O GLN A 16 -4.420 20.529 7.948 1.00 0.00 O ATOM 265 CB GLN A 16 -1.422 21.711 6.983 1.00 0.00 C ATOM 266 CG GLN A 16 -0.471 22.056 5.837 1.00 0.00 C ATOM 267 CD GLN A 16 0.652 21.018 5.773 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.416 19.872 5.445 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.871 21.374 6.072 1.00 0.00 N ATOM 0 H GLN A 16 -2.303 23.274 5.389 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.924 20.513 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.432 22.518 7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.075 20.816 7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.015 22.077 4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.052 23.051 5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.068 22.336 6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.627 20.690 6.031 1.00 0.00 H new ATOM 278 N SER A 17 -4.104 22.697 8.101 1.00 0.00 N ATOM 279 CA SER A 17 -5.090 22.806 9.207 1.00 0.00 C ATOM 280 C SER A 17 -6.432 22.218 8.769 1.00 0.00 C ATOM 281 O SER A 17 -7.033 21.431 9.474 1.00 0.00 O ATOM 282 CB SER A 17 -5.215 24.306 9.480 1.00 0.00 C ATOM 283 OG SER A 17 -6.489 24.763 9.042 1.00 0.00 O ATOM 0 H SER A 17 -3.665 23.574 7.821 1.00 0.00 H new ATOM 0 HA SER A 17 -4.781 22.260 10.098 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.092 24.504 10.545 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.424 24.848 8.961 1.00 0.00 H new ATOM 0 HG SER A 17 -6.403 25.170 8.155 1.00 0.00 H new ATOM 289 N GLN A 18 -6.895 22.570 7.602 1.00 0.00 N ATOM 290 CA GLN A 18 -8.184 22.001 7.121 1.00 0.00 C ATOM 291 C GLN A 18 -7.971 20.526 6.787 1.00 0.00 C ATOM 292 O GLN A 18 -8.757 19.672 7.147 1.00 0.00 O ATOM 293 CB GLN A 18 -8.533 22.798 5.865 1.00 0.00 C ATOM 294 CG GLN A 18 -9.009 24.196 6.262 1.00 0.00 C ATOM 295 CD GLN A 18 -10.327 24.088 7.029 1.00 0.00 C ATOM 296 OE1 GLN A 18 -10.993 23.073 6.979 1.00 0.00 O ATOM 297 NE2 GLN A 18 -10.734 25.100 7.745 1.00 0.00 N ATOM 0 H GLN A 18 -6.440 23.223 6.964 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.983 22.065 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.662 22.870 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.311 22.284 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.256 24.686 6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.143 24.812 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.175 25.952 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.611 25.039 8.262 1.00 0.00 H new ATOM 306 N LEU A 19 -6.899 20.226 6.109 1.00 0.00 N ATOM 307 CA LEU A 19 -6.607 18.809 5.754 1.00 0.00 C ATOM 308 C LEU A 19 -6.582 17.940 7.015 1.00 0.00 C ATOM 309 O LEU A 19 -6.984 16.793 6.997 1.00 0.00 O ATOM 310 CB LEU A 19 -5.221 18.844 5.108 1.00 0.00 C ATOM 311 CG LEU A 19 -4.718 17.414 4.903 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.162 17.267 3.486 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.611 17.111 5.916 1.00 0.00 C ATOM 0 H LEU A 19 -6.210 20.904 5.784 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.361 18.387 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.267 19.365 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.527 19.398 5.740 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.543 16.716 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.803 16.248 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.948 17.482 2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.337 17.966 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.253 16.092 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.786 17.809 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.004 17.216 6.927 1.00 0.00 H new ATOM 325 N ALA A 20 -6.106 18.474 8.109 1.00 0.00 N ATOM 326 CA ALA A 20 -6.048 17.677 9.362 1.00 0.00 C ATOM 327 C ALA A 20 -7.442 17.177 9.741 1.00 0.00 C ATOM 328 O ALA A 20 -7.607 16.083 10.240 1.00 0.00 O ATOM 329 CB ALA A 20 -5.519 18.644 10.421 1.00 0.00 C ATOM 0 H ALA A 20 -5.755 19.429 8.186 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.415 16.796 9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.447 18.130 11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.533 19.002 10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.200 19.490 10.514 1.00 0.00 H new ATOM 335 N LEU A 21 -8.444 17.978 9.515 1.00 0.00 N ATOM 336 CA LEU A 21 -9.824 17.559 9.868 1.00 0.00 C ATOM 337 C LEU A 21 -10.228 16.316 9.064 1.00 0.00 C ATOM 338 O LEU A 21 -11.021 15.509 9.506 1.00 0.00 O ATOM 339 CB LEU A 21 -10.701 18.777 9.531 1.00 0.00 C ATOM 340 CG LEU A 21 -11.290 18.654 8.121 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.627 17.913 8.187 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.514 20.053 7.540 1.00 0.00 C ATOM 0 H LEU A 21 -8.365 18.906 9.100 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.927 17.277 10.916 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.507 18.863 10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.108 19.688 9.603 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.598 18.100 7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.045 17.826 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.471 16.917 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.319 18.467 8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.933 19.968 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.206 20.605 8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.563 20.584 7.492 1.00 0.00 H new ATOM 354 N GLU A 22 -9.685 16.159 7.890 1.00 0.00 N ATOM 355 CA GLU A 22 -10.037 14.967 7.061 1.00 0.00 C ATOM 356 C GLU A 22 -9.349 13.724 7.624 1.00 0.00 C ATOM 357 O GLU A 22 -9.892 12.638 7.612 1.00 0.00 O ATOM 358 CB GLU A 22 -9.506 15.266 5.653 1.00 0.00 C ATOM 359 CG GLU A 22 -9.692 16.748 5.324 1.00 0.00 C ATOM 360 CD GLU A 22 -9.688 16.938 3.807 1.00 0.00 C ATOM 361 OE1 GLU A 22 -9.214 16.049 3.119 1.00 0.00 O ATOM 362 OE2 GLU A 22 -10.159 17.971 3.358 1.00 0.00 O ATOM 0 H GLU A 22 -9.014 16.801 7.467 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.111 14.780 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.450 15.001 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.032 14.654 4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.631 17.110 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.893 17.335 5.777 1.00 0.00 H new ATOM 369 N LYS A 23 -8.150 13.880 8.113 1.00 0.00 N ATOM 370 CA LYS A 23 -7.414 12.712 8.675 1.00 0.00 C ATOM 371 C LYS A 23 -8.158 12.143 9.886 1.00 0.00 C ATOM 372 O LYS A 23 -8.242 10.945 10.067 1.00 0.00 O ATOM 373 CB LYS A 23 -6.055 13.271 9.098 1.00 0.00 C ATOM 374 CG LYS A 23 -5.061 13.121 7.946 1.00 0.00 C ATOM 375 CD LYS A 23 -5.539 13.946 6.749 1.00 0.00 C ATOM 376 CE LYS A 23 -4.358 14.227 5.817 1.00 0.00 C ATOM 377 NZ LYS A 23 -4.175 12.970 5.039 1.00 0.00 N ATOM 0 H LYS A 23 -7.647 14.767 8.148 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.319 11.900 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.152 14.321 9.374 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.690 12.742 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.072 13.455 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.969 12.072 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.320 13.408 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.976 14.884 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.566 15.071 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.460 14.476 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.179 12.674 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.777 12.223 5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.441 13.134 4.047 1.00 0.00 H new ATOM 391 N GLU A 24 -8.695 12.991 10.720 1.00 0.00 N ATOM 392 CA GLU A 24 -9.427 12.489 11.921 1.00 0.00 C ATOM 393 C GLU A 24 -10.801 11.940 11.526 1.00 0.00 C ATOM 394 O GLU A 24 -11.215 10.891 11.979 1.00 0.00 O ATOM 395 CB GLU A 24 -9.582 13.709 12.828 1.00 0.00 C ATOM 396 CG GLU A 24 -8.565 13.632 13.968 1.00 0.00 C ATOM 397 CD GLU A 24 -9.276 13.222 15.259 1.00 0.00 C ATOM 398 OE1 GLU A 24 -9.778 12.112 15.307 1.00 0.00 O ATOM 399 OE2 GLU A 24 -9.306 14.025 16.176 1.00 0.00 O ATOM 0 H GLU A 24 -8.660 14.006 10.624 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.894 11.675 12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.432 14.623 12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.594 13.749 13.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.785 12.911 13.725 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.077 14.598 14.100 1.00 0.00 H new ATOM 406 N ILE A 25 -11.519 12.648 10.698 1.00 0.00 N ATOM 407 CA ILE A 25 -12.871 12.177 10.288 1.00 0.00 C ATOM 408 C ILE A 25 -12.771 10.939 9.389 1.00 0.00 C ATOM 409 O ILE A 25 -13.539 10.008 9.514 1.00 0.00 O ATOM 410 CB ILE A 25 -13.469 13.356 9.522 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.775 14.493 10.499 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.759 12.915 8.833 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.888 14.060 11.455 1.00 0.00 C ATOM 0 H ILE A 25 -11.226 13.534 10.287 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.482 11.882 11.141 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.758 13.701 8.772 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.879 14.754 11.062 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -14.078 15.385 9.951 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.186 13.756 8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.541 12.104 8.138 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.472 12.570 9.582 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.106 14.870 12.151 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.785 13.821 10.884 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.567 13.180 12.012 1.00 0.00 H new ATOM 425 N ILE A 26 -11.836 10.920 8.481 1.00 0.00 N ATOM 426 CA ILE A 26 -11.701 9.738 7.578 1.00 0.00 C ATOM 427 C ILE A 26 -11.426 8.468 8.391 1.00 0.00 C ATOM 428 O ILE A 26 -11.982 7.421 8.131 1.00 0.00 O ATOM 429 CB ILE A 26 -10.511 10.069 6.678 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.921 11.147 5.671 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.068 8.813 5.928 1.00 0.00 C ATOM 432 CD1 ILE A 26 -11.864 10.542 4.630 1.00 0.00 C ATOM 0 H ILE A 26 -11.160 11.668 8.323 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.610 9.550 7.006 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.685 10.434 7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.412 11.972 6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.038 11.557 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.219 9.052 5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.776 8.045 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.892 8.445 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.156 11.310 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.357 9.731 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.753 10.153 5.127 1.00 0.00 H new ATOM 444 N GLN A 27 -10.564 8.554 9.365 1.00 0.00 N ATOM 445 CA GLN A 27 -10.235 7.359 10.194 1.00 0.00 C ATOM 446 C GLN A 27 -11.491 6.752 10.832 1.00 0.00 C ATOM 447 O GLN A 27 -11.602 5.550 10.975 1.00 0.00 O ATOM 448 CB GLN A 27 -9.292 7.886 11.273 1.00 0.00 C ATOM 449 CG GLN A 27 -8.059 6.990 11.342 1.00 0.00 C ATOM 450 CD GLN A 27 -6.802 7.824 11.089 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.437 8.655 11.897 1.00 0.00 O ATOM 452 NE2 GLN A 27 -6.118 7.632 9.994 1.00 0.00 N ATOM 0 H GLN A 27 -10.069 9.407 9.625 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.789 6.565 9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.999 8.911 11.048 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.798 7.904 12.238 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.999 6.512 12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.134 6.194 10.602 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.425 6.934 9.316 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.276 8.180 9.816 1.00 0.00 H new ATOM 461 N ARG A 28 -12.427 7.566 11.233 1.00 0.00 N ATOM 462 CA ARG A 28 -13.659 7.034 11.878 1.00 0.00 C ATOM 463 C ARG A 28 -14.424 6.137 10.909 1.00 0.00 C ATOM 464 O ARG A 28 -14.831 5.041 11.234 1.00 0.00 O ATOM 465 CB ARG A 28 -14.448 8.301 12.239 1.00 0.00 C ATOM 466 CG ARG A 28 -15.568 8.580 11.233 1.00 0.00 C ATOM 467 CD ARG A 28 -16.503 9.651 11.798 1.00 0.00 C ATOM 468 NE ARG A 28 -17.749 9.538 10.991 1.00 0.00 N ATOM 469 CZ ARG A 28 -17.865 10.199 9.873 1.00 0.00 C ATOM 470 NH1 ARG A 28 -17.358 9.715 8.772 1.00 0.00 N ATOM 471 NH2 ARG A 28 -18.485 11.347 9.857 1.00 0.00 N ATOM 0 H ARG A 28 -12.391 8.581 11.141 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.462 6.411 12.751 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.874 8.192 13.236 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.770 9.154 12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.146 8.914 10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.125 7.666 11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.702 9.483 12.857 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.064 10.645 11.710 1.00 0.00 H new ATOM 0 HE ARG A 28 -18.512 8.943 11.313 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.871 8.819 8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.449 10.233 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.878 11.726 10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.576 11.865 8.983 1.00 0.00 H new ATOM 485 N ALA A 29 -14.635 6.615 9.727 1.00 0.00 N ATOM 486 CA ALA A 29 -15.391 5.821 8.723 1.00 0.00 C ATOM 487 C ALA A 29 -14.703 4.482 8.471 1.00 0.00 C ATOM 488 O ALA A 29 -15.350 3.476 8.261 1.00 0.00 O ATOM 489 CB ALA A 29 -15.397 6.676 7.456 1.00 0.00 C ATOM 0 H ALA A 29 -14.316 7.529 9.405 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.402 5.592 9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.939 6.154 6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.885 7.629 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.371 6.856 7.134 1.00 0.00 H new ATOM 495 N LEU A 30 -13.403 4.448 8.514 1.00 0.00 N ATOM 496 CA LEU A 30 -12.713 3.144 8.296 1.00 0.00 C ATOM 497 C LEU A 30 -13.258 2.171 9.324 1.00 0.00 C ATOM 498 O LEU A 30 -13.515 1.015 9.054 1.00 0.00 O ATOM 499 CB LEU A 30 -11.216 3.390 8.545 1.00 0.00 C ATOM 500 CG LEU A 30 -10.777 4.745 7.975 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.292 4.685 7.614 1.00 0.00 C ATOM 502 CD2 LEU A 30 -11.589 5.075 6.721 1.00 0.00 C ATOM 0 H LEU A 30 -12.795 5.249 8.687 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.867 2.745 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.012 3.359 9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.632 2.592 8.086 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.946 5.519 8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.977 5.647 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.709 4.459 8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.130 3.906 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.270 6.039 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.428 4.302 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.648 5.120 6.975 1.00 0.00 H new ATOM 514 N GLU A 31 -13.439 2.665 10.509 1.00 0.00 N ATOM 515 CA GLU A 31 -13.977 1.828 11.605 1.00 0.00 C ATOM 516 C GLU A 31 -15.446 1.480 11.346 1.00 0.00 C ATOM 517 O GLU A 31 -15.904 0.409 11.690 1.00 0.00 O ATOM 518 CB GLU A 31 -13.837 2.680 12.867 1.00 0.00 C ATOM 519 CG GLU A 31 -12.371 2.705 13.303 1.00 0.00 C ATOM 520 CD GLU A 31 -11.889 1.275 13.558 1.00 0.00 C ATOM 521 OE1 GLU A 31 -12.730 0.394 13.643 1.00 0.00 O ATOM 522 OE2 GLU A 31 -10.689 1.086 13.664 1.00 0.00 O ATOM 0 H GLU A 31 -13.233 3.630 10.769 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.444 0.881 11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.188 3.694 12.675 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.458 2.273 13.665 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.759 3.174 12.532 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.260 3.304 14.207 1.00 0.00 H new ATOM 529 N ASN A 32 -16.197 2.372 10.746 1.00 0.00 N ATOM 530 CA ASN A 32 -17.625 2.066 10.484 1.00 0.00 C ATOM 531 C ASN A 32 -17.726 0.803 9.632 1.00 0.00 C ATOM 532 O ASN A 32 -18.554 -0.056 9.866 1.00 0.00 O ATOM 533 CB ASN A 32 -18.156 3.280 9.723 1.00 0.00 C ATOM 534 CG ASN A 32 -19.679 3.336 9.848 1.00 0.00 C ATOM 535 OD1 ASN A 32 -20.374 2.462 9.370 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.232 4.337 10.478 1.00 0.00 N ATOM 0 H ASN A 32 -15.880 3.289 10.431 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.194 1.886 11.396 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.714 4.193 10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.869 3.218 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.247 4.385 10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.649 5.071 10.880 1.00 0.00 H new ATOM 543 N TYR A 33 -16.886 0.690 8.644 1.00 0.00 N ATOM 544 CA TYR A 33 -16.909 -0.490 7.770 1.00 0.00 C ATOM 545 C TYR A 33 -16.246 -1.684 8.463 1.00 0.00 C ATOM 546 O TYR A 33 -16.119 -2.751 7.897 1.00 0.00 O ATOM 547 CB TYR A 33 -16.101 -0.040 6.567 1.00 0.00 C ATOM 548 CG TYR A 33 -16.885 -0.316 5.318 1.00 0.00 C ATOM 549 CD1 TYR A 33 -17.977 0.496 5.006 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.534 -1.377 4.478 1.00 0.00 C ATOM 551 CE1 TYR A 33 -18.722 0.251 3.852 1.00 0.00 C ATOM 552 CE2 TYR A 33 -17.279 -1.626 3.321 1.00 0.00 C ATOM 553 CZ TYR A 33 -18.375 -0.812 3.006 1.00 0.00 C ATOM 554 OH TYR A 33 -19.112 -1.057 1.866 1.00 0.00 O ATOM 0 H TYR A 33 -16.176 1.383 8.409 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.915 -0.819 7.509 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.876 1.024 6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.147 -0.567 6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -18.245 1.314 5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -15.689 -2.003 4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -19.566 0.880 3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -17.010 -2.445 2.671 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.507 -1.263 1.123 1.00 0.00 H new ATOM 564 N GLY A 34 -15.819 -1.510 9.683 1.00 0.00 N ATOM 565 CA GLY A 34 -15.165 -2.625 10.410 1.00 0.00 C ATOM 566 C GLY A 34 -13.785 -2.887 9.805 1.00 0.00 C ATOM 567 O GLY A 34 -13.284 -3.993 9.833 1.00 0.00 O ATOM 0 H GLY A 34 -15.897 -0.638 10.207 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.070 -2.378 11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.778 -3.524 10.347 1.00 0.00 H new ATOM 571 N ALA A 35 -13.169 -1.875 9.258 1.00 0.00 N ATOM 572 CA ALA A 35 -11.819 -2.060 8.649 1.00 0.00 C ATOM 573 C ALA A 35 -10.739 -1.510 9.584 1.00 0.00 C ATOM 574 O ALA A 35 -10.855 -0.420 10.109 1.00 0.00 O ATOM 575 CB ALA A 35 -11.857 -1.257 7.349 1.00 0.00 C ATOM 0 H ALA A 35 -13.542 -0.927 9.206 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.586 -3.110 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.897 -1.343 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.645 -1.646 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.056 -0.209 7.574 1.00 0.00 H new ATOM 581 N ARG A 36 -9.692 -2.258 9.800 1.00 0.00 N ATOM 582 CA ARG A 36 -8.608 -1.782 10.703 1.00 0.00 C ATOM 583 C ARG A 36 -7.290 -1.680 9.935 1.00 0.00 C ATOM 584 O ARG A 36 -6.960 -2.525 9.128 1.00 0.00 O ATOM 585 CB ARG A 36 -8.483 -2.834 11.800 1.00 0.00 C ATOM 586 CG ARG A 36 -9.853 -3.439 12.122 1.00 0.00 C ATOM 587 CD ARG A 36 -9.770 -4.207 13.442 1.00 0.00 C ATOM 588 NE ARG A 36 -10.550 -3.389 14.411 1.00 0.00 N ATOM 589 CZ ARG A 36 -11.728 -3.789 14.803 1.00 0.00 C ATOM 590 NH1 ARG A 36 -12.653 -4.056 13.922 1.00 0.00 N ATOM 591 NH2 ARG A 36 -11.981 -3.922 16.076 1.00 0.00 N ATOM 0 H ARG A 36 -9.541 -3.179 9.389 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.834 -0.796 11.110 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.798 -3.620 11.482 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.058 -2.384 12.697 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.603 -2.651 12.193 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.166 -4.106 11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.189 -5.208 13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.736 -4.324 13.766 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.163 -2.516 14.768 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.455 -3.952 12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.574 -4.369 14.229 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.258 -3.713 16.764 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.902 -4.235 16.383 1.00 0.00 H new ATOM 605 N VAL A 37 -6.539 -0.654 10.188 1.00 0.00 N ATOM 606 CA VAL A 37 -5.234 -0.484 9.485 1.00 0.00 C ATOM 607 C VAL A 37 -4.166 -1.353 10.149 1.00 0.00 C ATOM 608 O VAL A 37 -3.853 -1.190 11.311 1.00 0.00 O ATOM 609 CB VAL A 37 -4.892 0.998 9.639 1.00 0.00 C ATOM 610 CG1 VAL A 37 -4.511 1.287 11.093 1.00 0.00 C ATOM 611 CG2 VAL A 37 -3.712 1.347 8.728 1.00 0.00 C ATOM 0 H VAL A 37 -6.769 0.083 10.855 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.284 -0.783 8.438 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.758 1.599 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.267 2.344 11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.349 1.039 11.745 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.645 0.685 11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.468 2.404 8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.847 0.744 9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.980 1.142 7.691 1.00 0.00 H new ATOM 621 N GLU A 38 -3.605 -2.274 9.418 1.00 0.00 N ATOM 622 CA GLU A 38 -2.556 -3.150 10.008 1.00 0.00 C ATOM 623 C GLU A 38 -1.199 -2.448 9.949 1.00 0.00 C ATOM 624 O GLU A 38 -0.325 -2.695 10.755 1.00 0.00 O ATOM 625 CB GLU A 38 -2.552 -4.405 9.136 1.00 0.00 C ATOM 626 CG GLU A 38 -3.868 -5.161 9.329 1.00 0.00 C ATOM 627 CD GLU A 38 -3.583 -6.659 9.455 1.00 0.00 C ATOM 628 OE1 GLU A 38 -3.293 -7.095 10.557 1.00 0.00 O ATOM 629 OE2 GLU A 38 -3.660 -7.343 8.448 1.00 0.00 O ATOM 0 H GLU A 38 -3.827 -2.458 8.440 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.749 -3.386 11.055 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.426 -4.133 8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.710 -5.044 9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.379 -4.801 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.533 -4.976 8.485 1.00 0.00 H new ATOM 636 N LYS A 39 -1.020 -1.572 9.000 1.00 0.00 N ATOM 637 CA LYS A 39 0.280 -0.850 8.888 1.00 0.00 C ATOM 638 C LYS A 39 0.144 0.352 7.949 1.00 0.00 C ATOM 639 O LYS A 39 -0.658 0.352 7.036 1.00 0.00 O ATOM 640 CB LYS A 39 1.252 -1.874 8.304 1.00 0.00 C ATOM 641 CG LYS A 39 2.098 -2.473 9.428 1.00 0.00 C ATOM 642 CD LYS A 39 1.673 -3.922 9.670 1.00 0.00 C ATOM 643 CE LYS A 39 1.911 -4.287 11.138 1.00 0.00 C ATOM 644 NZ LYS A 39 3.260 -3.740 11.458 1.00 0.00 N ATOM 0 H LYS A 39 -1.716 -1.324 8.297 1.00 0.00 H new ATOM 0 HA LYS A 39 0.619 -0.464 9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.701 -2.662 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.896 -1.399 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.155 -2.432 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.975 -1.890 10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.620 -4.050 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.239 -4.591 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.146 -3.852 11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.877 -5.366 11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.695 -4.309 12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.859 -3.774 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.168 -2.755 11.777 1.00 0.00 H new ATOM 658 N VAL A 40 0.926 1.374 8.163 1.00 0.00 N ATOM 659 CA VAL A 40 0.847 2.573 7.282 1.00 0.00 C ATOM 660 C VAL A 40 2.253 3.005 6.857 1.00 0.00 C ATOM 661 O VAL A 40 3.103 3.281 7.679 1.00 0.00 O ATOM 662 CB VAL A 40 0.194 3.654 8.140 1.00 0.00 C ATOM 663 CG1 VAL A 40 0.922 3.746 9.482 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.284 5.001 7.417 1.00 0.00 C ATOM 0 H VAL A 40 1.617 1.431 8.911 1.00 0.00 H new ATOM 0 HA VAL A 40 0.281 2.380 6.371 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.853 3.402 8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.457 4.517 10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.860 2.787 9.996 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.968 3.999 9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.182 5.774 8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.331 5.254 7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.233 4.935 6.460 1.00 0.00 H new ATOM 674 N GLU A 41 2.503 3.066 5.578 1.00 0.00 N ATOM 675 CA GLU A 41 3.854 3.481 5.104 1.00 0.00 C ATOM 676 C GLU A 41 3.790 4.881 4.493 1.00 0.00 C ATOM 677 O GLU A 41 2.941 5.173 3.675 1.00 0.00 O ATOM 678 CB GLU A 41 4.237 2.447 4.045 1.00 0.00 C ATOM 679 CG GLU A 41 5.720 2.594 3.701 1.00 0.00 C ATOM 680 CD GLU A 41 5.866 3.084 2.259 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.140 2.592 1.412 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.701 3.943 2.028 1.00 0.00 O ATOM 0 H GLU A 41 1.832 2.847 4.842 1.00 0.00 H new ATOM 0 HA GLU A 41 4.583 3.522 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.036 1.441 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.630 2.585 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.194 3.298 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.229 1.638 3.824 1.00 0.00 H new ATOM 689 N GLU A 42 4.681 5.752 4.882 1.00 0.00 N ATOM 690 CA GLU A 42 4.665 7.133 4.320 1.00 0.00 C ATOM 691 C GLU A 42 5.759 7.287 3.263 1.00 0.00 C ATOM 692 O GLU A 42 6.936 7.215 3.557 1.00 0.00 O ATOM 693 CB GLU A 42 4.939 8.052 5.510 1.00 0.00 C ATOM 694 CG GLU A 42 4.100 7.607 6.708 1.00 0.00 C ATOM 695 CD GLU A 42 2.624 7.552 6.308 1.00 0.00 C ATOM 696 OE1 GLU A 42 2.226 6.560 5.720 1.00 0.00 O ATOM 697 OE2 GLU A 42 1.916 8.503 6.598 1.00 0.00 O ATOM 0 H GLU A 42 5.418 5.568 5.563 1.00 0.00 H new ATOM 0 HA GLU A 42 3.718 7.367 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.998 8.026 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.699 9.083 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.431 6.627 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.237 8.300 7.538 1.00 0.00 H new ATOM 704 N LEU A 43 5.380 7.510 2.038 1.00 0.00 N ATOM 705 CA LEU A 43 6.401 7.681 0.962 1.00 0.00 C ATOM 706 C LEU A 43 6.772 9.165 0.828 1.00 0.00 C ATOM 707 O LEU A 43 7.493 9.704 1.645 1.00 0.00 O ATOM 708 CB LEU A 43 5.752 7.141 -0.322 1.00 0.00 C ATOM 709 CG LEU A 43 4.308 7.638 -0.439 1.00 0.00 C ATOM 710 CD1 LEU A 43 4.007 7.992 -1.897 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.353 6.536 0.026 1.00 0.00 C ATOM 0 H LEU A 43 4.410 7.582 1.732 1.00 0.00 H new ATOM 0 HA LEU A 43 7.326 7.146 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.326 7.463 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.769 6.051 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 43 4.175 8.523 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.979 8.346 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.689 8.775 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.138 7.108 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.324 6.887 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.486 5.652 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.568 6.283 1.064 1.00 0.00 H new ATOM 723 N GLY A 44 6.291 9.834 -0.186 1.00 0.00 N ATOM 724 CA GLY A 44 6.624 11.277 -0.350 1.00 0.00 C ATOM 725 C GLY A 44 5.670 11.904 -1.366 1.00 0.00 C ATOM 726 O GLY A 44 5.122 11.229 -2.215 1.00 0.00 O ATOM 0 H GLY A 44 5.683 9.444 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.543 11.792 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.655 11.388 -0.686 1.00 0.00 H new ATOM 730 N LEU A 45 5.462 13.188 -1.288 1.00 0.00 N ATOM 731 CA LEU A 45 4.539 13.850 -2.251 1.00 0.00 C ATOM 732 C LEU A 45 4.808 13.345 -3.668 1.00 0.00 C ATOM 733 O LEU A 45 5.866 13.557 -4.226 1.00 0.00 O ATOM 734 CB LEU A 45 4.850 15.341 -2.143 1.00 0.00 C ATOM 735 CG LEU A 45 3.601 16.075 -1.666 1.00 0.00 C ATOM 736 CD1 LEU A 45 3.891 16.772 -0.336 1.00 0.00 C ATOM 737 CD2 LEU A 45 3.189 17.118 -2.708 1.00 0.00 C ATOM 0 H LEU A 45 5.890 13.807 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 45 3.492 13.639 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.672 15.505 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.169 15.730 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 45 2.792 15.357 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.997 17.296 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.181 16.030 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.702 17.488 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.296 17.642 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.999 17.834 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.978 16.622 -3.655 1.00 0.00 H new ATOM 749 N ARG A 46 3.855 12.675 -4.253 1.00 0.00 N ATOM 750 CA ARG A 46 4.052 12.151 -5.635 1.00 0.00 C ATOM 751 C ARG A 46 3.536 13.160 -6.662 1.00 0.00 C ATOM 752 O ARG A 46 2.380 13.142 -7.039 1.00 0.00 O ATOM 753 CB ARG A 46 3.232 10.862 -5.690 1.00 0.00 C ATOM 754 CG ARG A 46 3.693 10.012 -6.877 1.00 0.00 C ATOM 755 CD ARG A 46 2.596 9.987 -7.943 1.00 0.00 C ATOM 756 NE ARG A 46 3.315 10.151 -9.238 1.00 0.00 N ATOM 757 CZ ARG A 46 3.017 9.381 -10.249 1.00 0.00 C ATOM 758 NH1 ARG A 46 1.770 9.102 -10.512 1.00 0.00 N ATOM 759 NH2 ARG A 46 3.967 8.892 -10.998 1.00 0.00 N ATOM 0 H ARG A 46 2.948 12.467 -3.835 1.00 0.00 H new ATOM 0 HA ARG A 46 5.103 11.975 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.351 10.303 -4.762 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.172 11.097 -5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.612 10.421 -7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.917 8.998 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.040 9.050 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.875 10.790 -7.787 1.00 0.00 H new ATOM 0 HE ARG A 46 4.039 10.864 -9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.027 9.486 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.538 8.500 -11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.942 9.111 -10.793 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.735 8.290 -11.788 1.00 0.00 H new ATOM 773 N ARG A 47 4.384 14.036 -7.122 1.00 0.00 N ATOM 774 CA ARG A 47 3.942 15.043 -8.127 1.00 0.00 C ATOM 775 C ARG A 47 4.264 14.552 -9.537 1.00 0.00 C ATOM 776 O ARG A 47 4.920 13.547 -9.723 1.00 0.00 O ATOM 777 CB ARG A 47 4.752 16.300 -7.821 1.00 0.00 C ATOM 778 CG ARG A 47 4.339 16.867 -6.463 1.00 0.00 C ATOM 779 CD ARG A 47 4.637 18.368 -6.420 1.00 0.00 C ATOM 780 NE ARG A 47 6.026 18.505 -6.947 1.00 0.00 N ATOM 781 CZ ARG A 47 6.894 19.251 -6.317 1.00 0.00 C ATOM 782 NH1 ARG A 47 6.664 20.524 -6.152 1.00 0.00 N ATOM 783 NH2 ARG A 47 7.993 18.721 -5.854 1.00 0.00 N ATOM 0 H ARG A 47 5.364 14.099 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 47 2.868 15.223 -8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.816 16.066 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.592 17.045 -8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.277 16.692 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.878 16.356 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.927 18.928 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.561 18.756 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 47 6.298 18.016 -7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.806 20.938 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.343 21.105 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.173 17.726 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.672 19.302 -5.362 1.00 0.00 H new ATOM 797 N LEU A 48 3.818 15.264 -10.533 1.00 0.00 N ATOM 798 CA LEU A 48 4.113 14.849 -11.930 1.00 0.00 C ATOM 799 C LEU A 48 5.577 15.150 -12.257 1.00 0.00 C ATOM 800 O LEU A 48 6.373 15.432 -11.384 1.00 0.00 O ATOM 801 CB LEU A 48 3.180 15.693 -12.799 1.00 0.00 C ATOM 802 CG LEU A 48 1.729 15.437 -12.382 1.00 0.00 C ATOM 803 CD1 LEU A 48 1.086 16.749 -11.932 1.00 0.00 C ATOM 804 CD2 LEU A 48 0.948 14.871 -13.571 1.00 0.00 C ATOM 0 H LEU A 48 3.263 16.114 -10.439 1.00 0.00 H new ATOM 0 HA LEU A 48 3.959 13.782 -12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.420 16.751 -12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.318 15.442 -13.851 1.00 0.00 H new ATOM 0 HG LEU A 48 1.711 14.722 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.053 16.565 -11.636 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.640 17.154 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.106 17.465 -12.754 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.085 14.689 -13.274 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.968 15.586 -14.393 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.404 13.935 -13.893 1.00 0.00 H new ATOM 816 N ALA A 49 5.934 15.100 -13.507 1.00 0.00 N ATOM 817 CA ALA A 49 7.344 15.393 -13.891 1.00 0.00 C ATOM 818 C ALA A 49 7.517 16.899 -14.075 1.00 0.00 C ATOM 819 O ALA A 49 6.867 17.684 -13.412 1.00 0.00 O ATOM 820 CB ALA A 49 7.560 14.659 -15.216 1.00 0.00 C ATOM 0 H ALA A 49 5.312 14.869 -14.282 1.00 0.00 H new ATOM 0 HA ALA A 49 8.061 15.072 -13.135 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.579 14.828 -15.564 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.398 13.591 -15.071 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.856 15.035 -15.959 1.00 0.00 H new ATOM 826 N TYR A 50 8.372 17.314 -14.971 1.00 0.00 N ATOM 827 CA TYR A 50 8.556 18.774 -15.189 1.00 0.00 C ATOM 828 C TYR A 50 7.186 19.453 -15.205 1.00 0.00 C ATOM 829 O TYR A 50 6.321 19.079 -15.971 1.00 0.00 O ATOM 830 CB TYR A 50 9.241 18.894 -16.551 1.00 0.00 C ATOM 831 CG TYR A 50 9.813 20.281 -16.704 1.00 0.00 C ATOM 832 CD1 TYR A 50 10.542 20.856 -15.656 1.00 0.00 C ATOM 833 CD2 TYR A 50 9.614 20.993 -17.892 1.00 0.00 C ATOM 834 CE1 TYR A 50 11.072 22.143 -15.798 1.00 0.00 C ATOM 835 CE2 TYR A 50 10.143 22.281 -18.033 1.00 0.00 C ATOM 836 CZ TYR A 50 10.873 22.856 -16.986 1.00 0.00 C ATOM 837 OH TYR A 50 11.394 24.127 -17.125 1.00 0.00 O ATOM 0 H TYR A 50 8.947 16.708 -15.557 1.00 0.00 H new ATOM 0 HA TYR A 50 9.148 19.249 -14.407 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.033 18.150 -16.639 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.526 18.694 -17.349 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.695 20.307 -14.739 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.052 20.549 -18.700 1.00 0.00 H new ATOM 0 HE1 TYR A 50 11.635 22.587 -14.990 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.988 22.831 -18.949 1.00 0.00 H new ATOM 0 HH TYR A 50 11.165 24.479 -18.010 1.00 0.00 H new ATOM 847 N PRO A 51 7.021 20.414 -14.338 1.00 0.00 N ATOM 848 CA PRO A 51 5.722 21.126 -14.240 1.00 0.00 C ATOM 849 C PRO A 51 5.433 21.919 -15.514 1.00 0.00 C ATOM 850 O PRO A 51 6.282 22.613 -16.038 1.00 0.00 O ATOM 851 CB PRO A 51 5.913 22.048 -13.035 1.00 0.00 C ATOM 852 CG PRO A 51 7.392 22.232 -12.929 1.00 0.00 C ATOM 853 CD PRO A 51 8.010 20.937 -13.388 1.00 0.00 C ATOM 0 HA PRO A 51 4.873 20.453 -14.123 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.405 23.001 -13.181 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.503 21.604 -12.128 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.726 23.064 -13.549 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.683 22.461 -11.904 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.978 21.098 -13.862 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.172 20.251 -12.557 1.00 0.00 H new ATOM 861 N ILE A 52 4.235 21.810 -16.016 1.00 0.00 N ATOM 862 CA ILE A 52 3.855 22.524 -17.242 1.00 0.00 C ATOM 863 C ILE A 52 2.762 23.551 -16.927 1.00 0.00 C ATOM 864 O ILE A 52 1.604 23.213 -16.780 1.00 0.00 O ATOM 865 CB ILE A 52 3.319 21.414 -18.141 1.00 0.00 C ATOM 866 CG1 ILE A 52 2.518 22.039 -19.261 1.00 0.00 C ATOM 867 CG2 ILE A 52 2.403 20.471 -17.349 1.00 0.00 C ATOM 868 CD1 ILE A 52 1.928 20.945 -20.150 1.00 0.00 C ATOM 0 H ILE A 52 3.494 21.239 -15.610 1.00 0.00 H new ATOM 0 HA ILE A 52 4.675 23.077 -17.701 1.00 0.00 H new ATOM 0 HB ILE A 52 4.159 20.843 -18.536 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.719 22.655 -18.849 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.155 22.697 -19.853 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.031 19.686 -18.008 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.964 20.021 -16.530 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.562 21.035 -16.945 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.352 21.402 -20.955 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.734 20.347 -20.575 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.276 20.305 -19.555 1.00 0.00 H new ATOM 880 N ALA A 53 3.120 24.800 -16.814 1.00 0.00 N ATOM 881 CA ALA A 53 2.101 25.842 -16.500 1.00 0.00 C ATOM 882 C ALA A 53 1.524 25.604 -15.103 1.00 0.00 C ATOM 883 O ALA A 53 1.903 26.253 -14.148 1.00 0.00 O ATOM 884 CB ALA A 53 1.014 25.677 -17.565 1.00 0.00 C ATOM 0 H ALA A 53 4.074 25.145 -16.925 1.00 0.00 H new ATOM 0 HA ALA A 53 2.523 26.847 -16.507 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.227 26.412 -17.399 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.448 25.827 -18.554 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.592 24.674 -17.502 1.00 0.00 H new ATOM 890 N LYS A 54 0.613 24.677 -14.976 1.00 0.00 N ATOM 891 CA LYS A 54 0.013 24.396 -13.640 1.00 0.00 C ATOM 892 C LYS A 54 -0.308 22.904 -13.505 1.00 0.00 C ATOM 893 O LYS A 54 -1.291 22.423 -14.030 1.00 0.00 O ATOM 894 CB LYS A 54 -1.270 25.226 -13.601 1.00 0.00 C ATOM 895 CG LYS A 54 -0.921 26.689 -13.322 1.00 0.00 C ATOM 896 CD LYS A 54 -1.660 27.164 -12.071 1.00 0.00 C ATOM 897 CE LYS A 54 -1.097 28.519 -11.635 1.00 0.00 C ATOM 898 NZ LYS A 54 -1.293 28.560 -10.160 1.00 0.00 N ATOM 0 H LYS A 54 0.258 24.102 -15.740 1.00 0.00 H new ATOM 0 HA LYS A 54 0.688 24.649 -12.823 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.800 25.142 -14.550 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.938 24.846 -12.828 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.155 26.797 -13.184 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.196 27.308 -14.176 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.727 27.249 -12.276 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.547 26.435 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.043 28.611 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.620 29.340 -12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.931 29.461 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.307 28.477 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.779 27.771 -9.719 1.00 0.00 H new ATOM 912 N ASP A 55 0.515 22.171 -12.805 1.00 0.00 N ATOM 913 CA ASP A 55 0.258 20.712 -12.637 1.00 0.00 C ATOM 914 C ASP A 55 -0.250 20.421 -11.221 1.00 0.00 C ATOM 915 O ASP A 55 0.430 20.690 -10.250 1.00 0.00 O ATOM 916 CB ASP A 55 1.616 20.044 -12.865 1.00 0.00 C ATOM 917 CG ASP A 55 1.611 19.312 -14.209 1.00 0.00 C ATOM 918 OD1 ASP A 55 0.575 19.303 -14.853 1.00 0.00 O ATOM 919 OD2 ASP A 55 2.644 18.774 -14.571 1.00 0.00 O ATOM 0 H ASP A 55 1.354 22.520 -12.342 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.501 20.345 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.408 20.793 -12.851 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.827 19.342 -12.058 1.00 0.00 H new ATOM 924 N PRO A 56 -1.437 19.877 -11.151 1.00 0.00 N ATOM 925 CA PRO A 56 -2.044 19.544 -9.840 1.00 0.00 C ATOM 926 C PRO A 56 -1.365 18.313 -9.234 1.00 0.00 C ATOM 927 O PRO A 56 -1.404 17.233 -9.790 1.00 0.00 O ATOM 928 CB PRO A 56 -3.501 19.246 -10.186 1.00 0.00 C ATOM 929 CG PRO A 56 -3.481 18.829 -11.623 1.00 0.00 C ATOM 930 CD PRO A 56 -2.314 19.527 -12.273 1.00 0.00 C ATOM 0 HA PRO A 56 -1.940 20.341 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.904 18.456 -9.552 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.129 20.125 -10.039 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.378 17.747 -11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.415 19.101 -12.116 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.808 18.877 -12.987 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.634 20.414 -12.820 1.00 0.00 H new ATOM 938 N GLN A 57 -0.742 18.465 -8.097 1.00 0.00 N ATOM 939 CA GLN A 57 -0.060 17.304 -7.456 1.00 0.00 C ATOM 940 C GLN A 57 -1.082 16.419 -6.737 1.00 0.00 C ATOM 941 O GLN A 57 -2.256 16.428 -7.053 1.00 0.00 O ATOM 942 CB GLN A 57 0.913 17.926 -6.454 1.00 0.00 C ATOM 943 CG GLN A 57 0.152 18.870 -5.520 1.00 0.00 C ATOM 944 CD GLN A 57 0.617 18.649 -4.081 1.00 0.00 C ATOM 945 OE1 GLN A 57 1.596 19.224 -3.652 1.00 0.00 O ATOM 946 NE2 GLN A 57 -0.050 17.833 -3.310 1.00 0.00 N ATOM 0 H GLN A 57 -0.676 19.344 -7.584 1.00 0.00 H new ATOM 0 HA GLN A 57 0.450 16.670 -8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.405 17.144 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.695 18.472 -6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.324 19.906 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.920 18.690 -5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.873 17.349 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.252 17.679 -2.348 1.00 0.00 H new ATOM 955 N GLY A 58 -0.649 15.653 -5.771 1.00 0.00 N ATOM 956 CA GLY A 58 -1.600 14.770 -5.037 1.00 0.00 C ATOM 957 C GLY A 58 -0.849 13.990 -3.957 1.00 0.00 C ATOM 958 O GLY A 58 0.335 13.743 -4.065 1.00 0.00 O ATOM 0 H GLY A 58 0.321 15.601 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.391 15.368 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.080 14.080 -5.731 1.00 0.00 H new ATOM 962 N TYR A 59 -1.529 13.598 -2.914 1.00 0.00 N ATOM 963 CA TYR A 59 -0.854 12.832 -1.828 1.00 0.00 C ATOM 964 C TYR A 59 -1.163 11.338 -1.965 1.00 0.00 C ATOM 965 O TYR A 59 -2.287 10.947 -2.208 1.00 0.00 O ATOM 966 CB TYR A 59 -1.448 13.380 -0.531 1.00 0.00 C ATOM 967 CG TYR A 59 -1.368 14.887 -0.536 1.00 0.00 C ATOM 968 CD1 TYR A 59 -0.232 15.528 -0.026 1.00 0.00 C ATOM 969 CD2 TYR A 59 -2.430 15.644 -1.047 1.00 0.00 C ATOM 970 CE1 TYR A 59 -0.159 16.926 -0.029 1.00 0.00 C ATOM 971 CE2 TYR A 59 -2.356 17.040 -1.050 1.00 0.00 C ATOM 972 CZ TYR A 59 -1.220 17.682 -0.540 1.00 0.00 C ATOM 973 OH TYR A 59 -1.146 19.060 -0.543 1.00 0.00 O ATOM 0 H TYR A 59 -2.523 13.775 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 59 0.230 12.939 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.485 13.061 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.907 12.980 0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.587 14.945 0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.306 15.149 -1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.717 17.421 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.174 17.623 -1.445 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.965 19.431 -0.933 1.00 0.00 H new ATOM 983 N PHE A 60 -0.174 10.501 -1.807 1.00 0.00 N ATOM 984 CA PHE A 60 -0.414 9.035 -1.926 1.00 0.00 C ATOM 985 C PHE A 60 -0.116 8.347 -0.589 1.00 0.00 C ATOM 986 O PHE A 60 0.951 8.497 -0.030 1.00 0.00 O ATOM 987 CB PHE A 60 0.560 8.562 -3.007 1.00 0.00 C ATOM 988 CG PHE A 60 0.471 7.063 -3.147 1.00 0.00 C ATOM 989 CD1 PHE A 60 0.955 6.236 -2.126 1.00 0.00 C ATOM 990 CD2 PHE A 60 -0.094 6.497 -4.296 1.00 0.00 C ATOM 991 CE1 PHE A 60 0.874 4.845 -2.254 1.00 0.00 C ATOM 992 CE2 PHE A 60 -0.175 5.105 -4.424 1.00 0.00 C ATOM 993 CZ PHE A 60 0.310 4.280 -3.403 1.00 0.00 C ATOM 0 H PHE A 60 0.788 10.769 -1.601 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.447 8.800 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.325 9.041 -3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.578 8.853 -2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.391 6.672 -1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.468 7.134 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.247 4.208 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.611 4.668 -5.310 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.249 3.206 -3.502 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.054 7.604 -0.067 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.821 6.920 1.242 1.00 0.00 C ATOM 1005 C LEU A 61 -0.882 5.398 1.070 1.00 0.00 C ATOM 1006 O LEU A 61 -1.628 4.881 0.262 1.00 0.00 O ATOM 1007 CB LEU A 61 -1.946 7.391 2.174 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.376 8.819 1.820 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -3.485 9.272 2.774 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.176 9.760 1.951 1.00 0.00 C ATOM 0 H LEU A 61 -1.969 7.440 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 61 0.162 7.162 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.799 6.718 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.608 7.353 3.210 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.747 8.842 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.790 10.288 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.340 8.603 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.115 9.249 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.481 10.776 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.805 9.736 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.386 9.439 1.271 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.107 4.683 1.836 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.111 3.192 1.739 1.00 0.00 C ATOM 1024 C TRP A 62 -0.603 2.592 3.059 1.00 0.00 C ATOM 1025 O TRP A 62 -0.030 2.827 4.104 1.00 0.00 O ATOM 1026 CB TRP A 62 1.349 2.809 1.488 1.00 0.00 C ATOM 1027 CG TRP A 62 1.409 1.560 0.667 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.128 1.485 -0.656 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.772 0.211 1.084 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.293 0.177 -1.074 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.690 -0.646 -0.039 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.160 -0.347 2.317 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 1.982 -2.008 0.058 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 2.455 -1.717 2.416 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.366 -2.545 1.289 1.00 0.00 C ATOM 0 H TRP A 62 0.534 5.067 2.530 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.768 2.824 0.951 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.864 3.620 0.972 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.863 2.657 2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.825 2.311 -1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.140 -0.141 -2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.231 0.282 3.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 1.911 -2.642 -0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 2.752 -2.135 3.367 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.594 -3.597 1.372 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.662 1.828 3.029 1.00 0.00 N ATOM 1047 CA TYR A 63 -2.177 1.235 4.292 1.00 0.00 C ATOM 1048 C TYR A 63 -2.404 -0.270 4.124 1.00 0.00 C ATOM 1049 O TYR A 63 -2.839 -0.731 3.088 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.507 1.947 4.535 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.247 3.357 5.012 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -2.788 3.583 6.314 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.470 4.439 4.151 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -2.548 4.891 6.755 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -3.231 5.746 4.592 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.771 5.973 5.894 1.00 0.00 C ATOM 1057 OH TYR A 63 -2.537 7.261 6.328 1.00 0.00 O ATOM 0 H TYR A 63 -2.189 1.591 2.188 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.480 1.357 5.121 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.094 1.965 3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.092 1.403 5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.619 2.749 6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.826 4.265 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.191 5.065 7.759 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.402 6.580 3.927 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.741 7.892 5.606 1.00 0.00 H new ATOM 1067 N GLN A 64 -2.131 -1.037 5.144 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.352 -2.507 5.047 1.00 0.00 C ATOM 1069 C GLN A 64 -3.751 -2.831 5.574 1.00 0.00 C ATOM 1070 O GLN A 64 -4.123 -2.423 6.656 1.00 0.00 O ATOM 1071 CB GLN A 64 -1.273 -3.136 5.929 1.00 0.00 C ATOM 1072 CG GLN A 64 -0.069 -3.519 5.066 1.00 0.00 C ATOM 1073 CD GLN A 64 1.057 -4.037 5.961 1.00 0.00 C ATOM 1074 OE1 GLN A 64 2.090 -3.408 6.083 1.00 0.00 O ATOM 1075 NE2 GLN A 64 0.902 -5.166 6.597 1.00 0.00 N ATOM 0 H GLN A 64 -1.765 -0.710 6.038 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.289 -2.883 4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.969 -2.435 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.668 -4.018 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.355 -4.284 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.273 -2.655 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.035 -5.694 6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.648 -5.520 7.196 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.540 -3.527 4.806 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.926 -3.832 5.253 1.00 0.00 C ATOM 1086 C VAL A 65 -6.186 -5.339 5.287 1.00 0.00 C ATOM 1087 O VAL A 65 -5.485 -6.117 4.675 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.795 -3.172 4.188 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.528 -1.670 4.180 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.434 -3.746 2.818 1.00 0.00 C ATOM 0 H VAL A 65 -4.286 -3.897 3.890 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.124 -3.473 6.263 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.846 -3.361 4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.148 -1.194 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.769 -1.252 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.477 -1.489 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.053 -3.277 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.383 -3.549 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.608 -4.822 2.817 1.00 0.00 H new ATOM 1100 N GLU A 66 -7.204 -5.751 5.992 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.534 -7.202 6.060 1.00 0.00 C ATOM 1102 C GLU A 66 -8.930 -7.436 5.477 1.00 0.00 C ATOM 1103 O GLU A 66 -9.904 -7.548 6.195 1.00 0.00 O ATOM 1104 CB GLU A 66 -7.507 -7.555 7.548 1.00 0.00 C ATOM 1105 CG GLU A 66 -8.209 -8.897 7.761 1.00 0.00 C ATOM 1106 CD GLU A 66 -7.349 -9.788 8.657 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -7.395 -9.605 9.863 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -6.659 -10.642 8.124 1.00 0.00 O ATOM 0 H GLU A 66 -7.824 -5.142 6.526 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.835 -7.816 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.478 -7.610 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.003 -6.776 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.186 -8.739 8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.380 -9.386 6.802 1.00 0.00 H new ATOM 1115 N MET A 67 -9.031 -7.501 4.181 1.00 0.00 N ATOM 1116 CA MET A 67 -10.361 -7.717 3.542 1.00 0.00 C ATOM 1117 C MET A 67 -10.241 -8.729 2.403 1.00 0.00 C ATOM 1118 O MET A 67 -9.175 -8.925 1.852 1.00 0.00 O ATOM 1119 CB MET A 67 -10.768 -6.346 3.000 1.00 0.00 C ATOM 1120 CG MET A 67 -11.458 -5.544 4.104 1.00 0.00 C ATOM 1121 SD MET A 67 -10.677 -3.917 4.240 1.00 0.00 S ATOM 1122 CE MET A 67 -10.132 -4.068 5.960 1.00 0.00 C ATOM 0 H MET A 67 -8.248 -7.414 3.533 1.00 0.00 H new ATOM 0 HA MET A 67 -11.096 -8.113 4.243 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.889 -5.810 2.642 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.439 -6.464 2.149 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.519 -5.433 3.880 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.387 -6.075 5.053 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.323 -3.363 6.148 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.966 -3.850 6.627 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.778 -5.083 6.142 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.347 -9.340 2.086 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.379 -10.345 0.997 1.00 0.00 C ATOM 1134 C PRO A 68 -11.137 -9.670 -0.356 1.00 0.00 C ATOM 1135 O PRO A 68 -11.254 -8.468 -0.491 1.00 0.00 O ATOM 1136 CB PRO A 68 -12.789 -10.926 1.087 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.596 -9.859 1.752 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.665 -9.149 2.698 1.00 0.00 C ATOM 0 HA PRO A 68 -10.609 -11.110 1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.184 -11.163 0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.801 -11.850 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.005 -9.166 1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.441 -10.289 2.289 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.916 -8.092 2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.708 -9.576 3.700 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.784 -10.433 -1.352 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.515 -9.838 -2.694 1.00 0.00 C ATOM 1148 C GLU A 69 -11.756 -9.127 -3.244 1.00 0.00 C ATOM 1149 O GLU A 69 -11.656 -8.274 -4.102 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.144 -11.026 -3.582 1.00 0.00 C ATOM 1151 CG GLU A 69 -11.403 -11.832 -3.912 1.00 0.00 C ATOM 1152 CD GLU A 69 -11.039 -12.990 -4.843 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -10.442 -12.729 -5.875 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -11.364 -14.118 -4.510 1.00 0.00 O ATOM 0 H GLU A 69 -10.669 -11.445 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.726 -9.087 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.674 -10.674 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.417 -11.660 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.852 -12.215 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.145 -11.190 -4.386 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.924 -9.473 -2.776 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.153 -8.807 -3.304 1.00 0.00 C ATOM 1163 C ASP A 70 -14.460 -7.520 -2.533 1.00 0.00 C ATOM 1164 O ASP A 70 -14.888 -6.536 -3.103 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.273 -9.830 -3.117 1.00 0.00 C ATOM 1166 CG ASP A 70 -15.509 -10.064 -1.625 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -14.572 -9.897 -0.864 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -16.625 -10.407 -1.268 1.00 0.00 O ATOM 0 H ASP A 70 -13.082 -10.180 -2.058 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.035 -8.514 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.188 -9.473 -3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.008 -10.768 -3.605 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.254 -7.515 -1.247 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.544 -6.296 -0.457 1.00 0.00 C ATOM 1175 C ARG A 71 -13.486 -5.225 -0.726 1.00 0.00 C ATOM 1176 O ARG A 71 -13.601 -4.100 -0.280 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.493 -6.746 1.003 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.708 -7.624 1.309 1.00 0.00 C ATOM 1179 CD ARG A 71 -16.919 -6.738 1.611 1.00 0.00 C ATOM 1180 NE ARG A 71 -17.897 -7.641 2.280 1.00 0.00 N ATOM 1181 CZ ARG A 71 -18.909 -7.139 2.932 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -18.717 -6.547 4.079 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -20.114 -7.231 2.438 1.00 0.00 N ATOM 0 H ARG A 71 -13.897 -8.306 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.509 -5.859 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.574 -7.300 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.483 -5.878 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.923 -8.274 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.497 -8.271 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.647 -5.903 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -17.335 -6.312 0.698 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.775 -8.652 2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.776 -6.477 4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.508 -6.154 4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.264 -7.695 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.906 -6.838 2.948 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.451 -5.561 -1.447 1.00 0.00 N ATOM 1198 CA VAL A 72 -11.391 -4.554 -1.733 1.00 0.00 C ATOM 1199 C VAL A 72 -11.923 -3.474 -2.675 1.00 0.00 C ATOM 1200 O VAL A 72 -11.718 -2.296 -2.464 1.00 0.00 O ATOM 1201 CB VAL A 72 -10.252 -5.342 -2.386 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -10.584 -5.635 -3.850 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -8.972 -4.516 -2.317 1.00 0.00 C ATOM 0 H VAL A 72 -12.294 -6.485 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.056 -4.041 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.119 -6.285 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.767 -6.196 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.501 -6.222 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.722 -4.696 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.156 -5.070 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.118 -3.574 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.726 -4.312 -1.275 1.00 0.00 H new ATOM 1213 N ASN A 73 -12.606 -3.867 -3.710 1.00 0.00 N ATOM 1214 CA ASN A 73 -13.154 -2.864 -4.664 1.00 0.00 C ATOM 1215 C ASN A 73 -14.279 -2.080 -3.991 1.00 0.00 C ATOM 1216 O ASN A 73 -14.505 -0.924 -4.282 1.00 0.00 O ATOM 1217 CB ASN A 73 -13.691 -3.688 -5.835 1.00 0.00 C ATOM 1218 CG ASN A 73 -14.368 -2.761 -6.845 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -15.567 -2.825 -7.037 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -13.647 -1.900 -7.508 1.00 0.00 N ATOM 0 H ASN A 73 -12.810 -4.840 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.408 -2.139 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.877 -4.232 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.402 -4.431 -5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -14.089 -1.281 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.641 -1.846 -7.347 1.00 0.00 H new ATOM 1227 N ASP A 74 -14.982 -2.709 -3.090 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.093 -2.023 -2.386 1.00 0.00 C ATOM 1229 C ASP A 74 -15.550 -0.909 -1.484 1.00 0.00 C ATOM 1230 O ASP A 74 -16.100 0.172 -1.415 1.00 0.00 O ATOM 1231 CB ASP A 74 -16.758 -3.118 -1.552 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.201 -2.718 -1.236 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.385 -1.715 -0.565 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.098 -3.421 -1.672 1.00 0.00 O ATOM 0 H ASP A 74 -14.830 -3.678 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 74 -16.792 -1.550 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.743 -4.063 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.202 -3.273 -0.627 1.00 0.00 H new ATOM 1239 N LEU A 75 -14.479 -1.168 -0.786 1.00 0.00 N ATOM 1240 CA LEU A 75 -13.901 -0.148 0.114 1.00 0.00 C ATOM 1241 C LEU A 75 -13.429 1.080 -0.673 1.00 0.00 C ATOM 1242 O LEU A 75 -13.741 2.206 -0.338 1.00 0.00 O ATOM 1243 CB LEU A 75 -12.710 -0.860 0.760 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.737 -0.628 2.267 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -13.042 0.841 2.521 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.830 -1.495 2.897 1.00 0.00 C ATOM 0 H LEU A 75 -13.978 -2.056 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.624 0.220 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.750 -1.928 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.777 -0.485 0.340 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.775 -0.893 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.066 1.027 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.269 1.458 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.010 1.092 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.850 -1.330 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.797 -1.228 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.622 -2.546 2.695 1.00 0.00 H new ATOM 1258 N ALA A 76 -12.687 0.865 -1.717 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.191 2.002 -2.546 1.00 0.00 C ATOM 1260 C ALA A 76 -13.378 2.692 -3.200 1.00 0.00 C ATOM 1261 O ALA A 76 -13.430 3.896 -3.347 1.00 0.00 O ATOM 1262 CB ALA A 76 -11.284 1.367 -3.599 1.00 0.00 C ATOM 0 H ALA A 76 -12.397 -0.059 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.654 2.750 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.881 2.144 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.464 0.844 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.859 0.659 -4.195 1.00 0.00 H new ATOM 1268 N ARG A 77 -14.322 1.904 -3.603 1.00 0.00 N ATOM 1269 CA ARG A 77 -15.534 2.428 -4.274 1.00 0.00 C ATOM 1270 C ARG A 77 -16.227 3.489 -3.410 1.00 0.00 C ATOM 1271 O ARG A 77 -16.700 4.490 -3.905 1.00 0.00 O ATOM 1272 CB ARG A 77 -16.404 1.183 -4.396 1.00 0.00 C ATOM 1273 CG ARG A 77 -16.392 0.685 -5.843 1.00 0.00 C ATOM 1274 CD ARG A 77 -17.597 1.259 -6.593 1.00 0.00 C ATOM 1275 NE ARG A 77 -17.880 0.272 -7.672 1.00 0.00 N ATOM 1276 CZ ARG A 77 -18.943 0.403 -8.417 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -20.104 0.625 -7.864 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -18.847 0.312 -9.716 1.00 0.00 N ATOM 0 H ARG A 77 -14.305 0.890 -3.493 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.326 2.915 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.035 0.403 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.425 1.409 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -15.467 0.987 -6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.423 -0.404 -5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.455 1.378 -5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -17.374 2.243 -7.006 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.242 -0.508 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.180 0.696 -6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.935 0.727 -8.446 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.940 0.138 -10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.679 0.415 -10.297 1.00 0.00 H new ATOM 1292 N GLU A 78 -16.297 3.275 -2.127 1.00 0.00 N ATOM 1293 CA GLU A 78 -16.966 4.274 -1.239 1.00 0.00 C ATOM 1294 C GLU A 78 -16.100 5.530 -1.091 1.00 0.00 C ATOM 1295 O GLU A 78 -16.595 6.639 -1.076 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.116 3.566 0.106 1.00 0.00 C ATOM 1297 CG GLU A 78 -17.624 2.144 -0.131 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.874 1.898 0.718 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -18.889 2.341 1.854 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.793 1.272 0.216 1.00 0.00 O ATOM 0 H GLU A 78 -15.922 2.454 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.925 4.602 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.159 3.541 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.811 4.112 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.855 2.001 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.849 1.422 0.127 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.813 5.360 -0.969 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.911 6.540 -0.806 1.00 0.00 C ATOM 1309 C LEU A 79 -13.948 7.433 -2.052 1.00 0.00 C ATOM 1310 O LEU A 79 -13.984 8.643 -1.957 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.515 5.942 -0.618 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.148 5.943 0.869 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -13.332 5.433 1.696 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -10.943 5.027 1.095 1.00 0.00 C ATOM 0 H LEU A 79 -14.344 4.454 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.210 7.168 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.489 4.924 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.783 6.519 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.902 6.959 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.066 5.436 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.193 6.082 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.581 4.418 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.680 5.026 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.193 4.013 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.097 5.388 0.511 1.00 0.00 H new ATOM 1326 N ARG A 80 -13.934 6.849 -3.220 1.00 0.00 N ATOM 1327 CA ARG A 80 -13.960 7.675 -4.463 1.00 0.00 C ATOM 1328 C ARG A 80 -15.254 8.491 -4.536 1.00 0.00 C ATOM 1329 O ARG A 80 -15.316 9.514 -5.189 1.00 0.00 O ATOM 1330 CB ARG A 80 -13.895 6.669 -5.615 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.147 5.792 -5.602 1.00 0.00 C ATOM 1332 CD ARG A 80 -15.855 5.888 -6.954 1.00 0.00 C ATOM 1333 NE ARG A 80 -16.476 4.549 -7.156 1.00 0.00 N ATOM 1334 CZ ARG A 80 -17.249 4.335 -8.185 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -18.394 4.955 -8.283 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -16.879 3.499 -9.117 1.00 0.00 N ATOM 0 H ARG A 80 -13.906 5.840 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.135 8.387 -4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.817 7.195 -6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.004 6.049 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.876 4.757 -5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.819 6.111 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.608 6.676 -6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.151 6.122 -7.753 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.297 3.799 -6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.685 5.607 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.998 4.787 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.985 3.013 -9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.483 3.332 -9.921 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.289 8.047 -3.880 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.575 8.795 -3.923 1.00 0.00 C ATOM 1352 C ILE A 81 -17.537 9.995 -2.970 1.00 0.00 C ATOM 1353 O ILE A 81 -18.341 10.900 -3.071 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.628 7.785 -3.475 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -18.851 6.761 -4.591 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.939 8.514 -3.175 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.124 5.959 -4.314 1.00 0.00 C ATOM 0 H ILE A 81 -16.300 7.198 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.784 9.196 -4.915 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.287 7.274 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.933 7.269 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.995 6.090 -4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.691 7.793 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.776 9.244 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.285 9.025 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.277 5.232 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.026 5.437 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.978 6.635 -4.271 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.619 10.010 -2.042 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.556 11.156 -1.088 1.00 0.00 C ATOM 1371 C ARG A 82 -16.130 12.434 -1.801 1.00 0.00 C ATOM 1372 O ARG A 82 -15.613 12.418 -2.901 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.523 10.765 -0.037 1.00 0.00 C ATOM 1374 CG ARG A 82 -15.292 11.930 0.928 1.00 0.00 C ATOM 1375 CD ARG A 82 -16.580 12.218 1.704 1.00 0.00 C ATOM 1376 NE ARG A 82 -16.523 13.673 2.019 1.00 0.00 N ATOM 1377 CZ ARG A 82 -17.318 14.176 2.924 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -17.146 13.876 4.183 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -18.286 14.977 2.572 1.00 0.00 N ATOM 0 H ARG A 82 -15.915 9.285 -1.903 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.531 11.354 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.866 9.889 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.585 10.491 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.485 11.688 1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.982 12.817 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.461 11.977 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.635 11.619 2.613 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.863 14.276 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.391 13.249 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.767 14.269 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.422 15.211 1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.906 15.369 3.280 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.358 13.540 -1.166 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.989 14.859 -1.765 1.00 0.00 C ATOM 1395 C ASP A 83 -14.471 15.077 -1.750 1.00 0.00 C ATOM 1396 O ASP A 83 -13.884 15.484 -2.732 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.687 15.895 -0.884 1.00 0.00 C ATOM 1398 CG ASP A 83 -16.871 17.195 -1.670 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -15.907 17.934 -1.789 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -17.973 17.431 -2.138 1.00 0.00 O ATOM 0 H ASP A 83 -16.790 13.595 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.292 14.925 -2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.655 15.516 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.097 16.081 0.014 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.836 14.835 -0.634 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.361 15.058 -0.545 1.00 0.00 C ATOM 1407 C ASN A 84 -11.591 14.035 -1.385 1.00 0.00 C ATOM 1408 O ASN A 84 -10.552 14.336 -1.937 1.00 0.00 O ATOM 1409 CB ASN A 84 -12.029 14.884 0.937 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.877 15.848 1.767 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.779 15.432 2.468 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -12.623 17.126 1.719 1.00 0.00 N ATOM 0 H ASN A 84 -14.274 14.492 0.221 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.079 16.040 -0.926 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.221 13.856 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.970 15.075 1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.181 17.778 2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.866 17.474 1.130 1.00 0.00 H new ATOM 1419 N VAL A 85 -12.078 12.832 -1.486 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.353 11.810 -2.288 1.00 0.00 C ATOM 1421 C VAL A 85 -11.827 11.846 -3.743 1.00 0.00 C ATOM 1422 O VAL A 85 -12.998 11.689 -4.029 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.704 10.476 -1.631 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.204 9.330 -2.506 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.034 10.395 -0.257 1.00 0.00 C ATOM 0 H VAL A 85 -12.943 12.513 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.277 11.981 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.785 10.401 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.454 8.378 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.677 9.387 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.123 9.405 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.283 9.444 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.953 10.470 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.388 11.214 0.369 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.926 12.051 -4.665 1.00 0.00 N ATOM 1436 CA ARG A 86 -11.325 12.096 -6.100 1.00 0.00 C ATOM 1437 C ARG A 86 -11.290 10.688 -6.702 1.00 0.00 C ATOM 1438 O ARG A 86 -12.111 10.333 -7.524 1.00 0.00 O ATOM 1439 CB ARG A 86 -10.283 12.991 -6.773 1.00 0.00 C ATOM 1440 CG ARG A 86 -10.959 14.253 -7.316 1.00 0.00 C ATOM 1441 CD ARG A 86 -9.938 15.079 -8.103 1.00 0.00 C ATOM 1442 NE ARG A 86 -10.296 16.498 -7.829 1.00 0.00 N ATOM 1443 CZ ARG A 86 -10.945 17.191 -8.724 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -12.112 16.784 -9.145 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -10.429 18.291 -9.198 1.00 0.00 N ATOM 0 H ARG A 86 -9.931 12.189 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.338 12.476 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.506 13.262 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.795 12.451 -7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.797 13.982 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.365 14.843 -6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.920 14.860 -7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.989 14.858 -9.169 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.034 16.928 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.516 15.924 -8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.619 17.326 -9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.518 18.610 -8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.937 18.832 -9.898 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.346 9.881 -6.297 1.00 0.00 N ATOM 1460 CA ARG A 87 -10.262 8.500 -6.846 1.00 0.00 C ATOM 1461 C ARG A 87 -9.350 7.637 -5.961 1.00 0.00 C ATOM 1462 O ARG A 87 -8.440 8.129 -5.323 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.689 8.684 -8.263 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.626 7.622 -8.568 1.00 0.00 C ATOM 1465 CD ARG A 87 -8.262 7.676 -10.052 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.949 8.378 -10.100 1.00 0.00 N ATOM 1467 CZ ARG A 87 -5.879 7.737 -10.482 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -5.175 7.068 -9.611 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -5.516 7.766 -11.735 1.00 0.00 N ATOM 0 H ARG A 87 -9.631 10.120 -5.610 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.223 7.987 -6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.493 8.619 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.252 9.678 -8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.739 7.795 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.002 6.632 -8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.191 6.675 -10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.018 8.213 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.887 9.361 -9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.461 7.046 -8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.338 6.566 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.069 8.289 -12.414 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.680 7.265 -12.035 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.592 6.356 -5.926 1.00 0.00 N ATOM 1484 CA VAL A 88 -8.747 5.456 -5.091 1.00 0.00 C ATOM 1485 C VAL A 88 -8.277 4.258 -5.921 1.00 0.00 C ATOM 1486 O VAL A 88 -9.068 3.556 -6.519 1.00 0.00 O ATOM 1487 CB VAL A 88 -9.659 4.996 -3.956 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -9.818 6.127 -2.939 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.033 4.619 -4.516 1.00 0.00 C ATOM 0 H VAL A 88 -10.340 5.892 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.854 5.956 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.217 4.126 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.469 5.799 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.841 6.393 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.257 6.997 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.680 4.291 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.477 5.486 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.922 3.811 -5.239 1.00 0.00 H new ATOM 1499 N MET A 89 -6.994 4.019 -5.963 1.00 0.00 N ATOM 1500 CA MET A 89 -6.474 2.867 -6.758 1.00 0.00 C ATOM 1501 C MET A 89 -6.193 1.670 -5.844 1.00 0.00 C ATOM 1502 O MET A 89 -5.507 1.785 -4.849 1.00 0.00 O ATOM 1503 CB MET A 89 -5.175 3.375 -7.383 1.00 0.00 C ATOM 1504 CG MET A 89 -4.966 2.705 -8.743 1.00 0.00 C ATOM 1505 SD MET A 89 -6.042 3.485 -9.972 1.00 0.00 S ATOM 1506 CE MET A 89 -6.655 1.962 -10.733 1.00 0.00 C ATOM 0 H MET A 89 -6.283 4.570 -5.482 1.00 0.00 H new ATOM 0 HA MET A 89 -7.189 2.531 -7.509 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.215 4.458 -7.502 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.333 3.157 -6.725 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.923 2.794 -9.048 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.188 1.640 -8.674 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.350 2.210 -11.535 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.817 1.396 -11.141 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.167 1.361 -9.982 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.717 0.521 -6.178 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.474 -0.683 -5.331 1.00 0.00 C ATOM 1518 C VAL A 90 -5.305 -1.497 -5.893 1.00 0.00 C ATOM 1519 O VAL A 90 -5.258 -1.803 -7.068 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.773 -1.486 -5.401 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.930 -2.086 -6.800 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -7.730 -2.613 -4.367 1.00 0.00 C ATOM 0 H VAL A 90 -7.302 0.364 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.213 -0.422 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.617 -0.829 -5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.856 -2.658 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.959 -1.285 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.086 -2.743 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.656 -3.187 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.885 -3.269 -4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.619 -2.188 -3.370 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.362 -1.849 -5.063 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.195 -2.644 -5.550 1.00 0.00 C ATOM 1534 C VAL A 91 -2.983 -3.863 -4.651 1.00 0.00 C ATOM 1535 O VAL A 91 -3.337 -3.857 -3.489 1.00 0.00 O ATOM 1536 CB VAL A 91 -1.987 -1.705 -5.462 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -0.897 -2.191 -6.419 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.399 -0.280 -5.847 1.00 0.00 C ATOM 0 H VAL A 91 -4.347 -1.622 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.347 -3.008 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.610 -1.704 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.036 -1.525 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.594 -3.201 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.283 -2.194 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.534 0.379 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.782 -0.275 -6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.175 0.071 -5.167 1.00 0.00 H new ATOM 1548 N LYS A 92 -2.405 -4.908 -5.176 1.00 0.00 N ATOM 1549 CA LYS A 92 -2.171 -6.123 -4.345 1.00 0.00 C ATOM 1550 C LYS A 92 -0.863 -5.979 -3.562 1.00 0.00 C ATOM 1551 O LYS A 92 0.085 -5.377 -4.026 1.00 0.00 O ATOM 1552 CB LYS A 92 -2.078 -7.278 -5.345 1.00 0.00 C ATOM 1553 CG LYS A 92 -0.734 -7.219 -6.074 1.00 0.00 C ATOM 1554 CD LYS A 92 -0.646 -8.369 -7.078 1.00 0.00 C ATOM 1555 CE LYS A 92 0.811 -8.817 -7.216 1.00 0.00 C ATOM 1556 NZ LYS A 92 0.917 -9.365 -8.598 1.00 0.00 N ATOM 0 H LYS A 92 -2.085 -4.973 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.963 -6.285 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.180 -8.231 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.896 -7.217 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.629 -6.264 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.084 -7.285 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.264 -9.203 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.033 -8.051 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.496 -7.982 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.064 -9.572 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.889 -9.693 -8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.258 -10.163 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.677 -8.622 -9.285 1.00 0.00 H new ATOM 1570 N SER A 93 -0.802 -6.525 -2.378 1.00 0.00 N ATOM 1571 CA SER A 93 0.448 -6.413 -1.572 1.00 0.00 C ATOM 1572 C SER A 93 1.404 -7.559 -1.915 1.00 0.00 C ATOM 1573 O SER A 93 1.182 -8.310 -2.843 1.00 0.00 O ATOM 1574 CB SER A 93 -0.008 -6.513 -0.117 1.00 0.00 C ATOM 1575 OG SER A 93 -0.521 -7.817 0.126 1.00 0.00 O ATOM 0 H SER A 93 -1.561 -7.042 -1.935 1.00 0.00 H new ATOM 0 HA SER A 93 0.983 -5.484 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.827 -6.308 0.553 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.773 -5.764 0.089 1.00 0.00 H new ATOM 0 HG SER A 93 -1.501 -7.787 0.132 1.00 0.00 H new ATOM 1581 N GLN A 94 2.470 -7.696 -1.173 1.00 0.00 N ATOM 1582 CA GLN A 94 3.441 -8.791 -1.457 1.00 0.00 C ATOM 1583 C GLN A 94 2.797 -10.154 -1.183 1.00 0.00 C ATOM 1584 O GLN A 94 1.813 -10.255 -0.479 1.00 0.00 O ATOM 1585 CB GLN A 94 4.605 -8.546 -0.495 1.00 0.00 C ATOM 1586 CG GLN A 94 4.138 -8.787 0.942 1.00 0.00 C ATOM 1587 CD GLN A 94 5.251 -8.393 1.915 1.00 0.00 C ATOM 1588 OE1 GLN A 94 6.274 -9.045 1.981 1.00 0.00 O ATOM 1589 NE2 GLN A 94 5.095 -7.345 2.677 1.00 0.00 N ATOM 0 H GLN A 94 2.710 -7.097 -0.383 1.00 0.00 H new ATOM 0 HA GLN A 94 3.765 -8.796 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.435 -9.210 -0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.972 -7.525 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.240 -8.204 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.876 -9.836 1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.236 -6.798 2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.832 -7.073 3.328 1.00 0.00 H new ATOM 1598 N GLU A 95 3.346 -11.202 -1.735 1.00 0.00 N ATOM 1599 CA GLU A 95 2.764 -12.557 -1.506 1.00 0.00 C ATOM 1600 C GLU A 95 2.820 -12.913 -0.018 1.00 0.00 C ATOM 1601 O GLU A 95 3.616 -12.370 0.722 1.00 0.00 O ATOM 1602 CB GLU A 95 3.643 -13.509 -2.319 1.00 0.00 C ATOM 1603 CG GLU A 95 3.554 -13.147 -3.803 1.00 0.00 C ATOM 1604 CD GLU A 95 4.796 -13.667 -4.530 1.00 0.00 C ATOM 1605 OE1 GLU A 95 5.876 -13.186 -4.231 1.00 0.00 O ATOM 1606 OE2 GLU A 95 4.645 -14.537 -5.371 1.00 0.00 O ATOM 0 H GLU A 95 4.171 -11.179 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 95 1.718 -12.612 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.677 -13.445 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.321 -14.539 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.655 -13.581 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.476 -12.066 -3.921 1.00 0.00 H new ATOM 1613 N PRO A 96 1.966 -13.822 0.369 1.00 0.00 N ATOM 1614 CA PRO A 96 1.910 -14.263 1.784 1.00 0.00 C ATOM 1615 C PRO A 96 3.125 -15.131 2.124 1.00 0.00 C ATOM 1616 O PRO A 96 3.931 -15.451 1.271 1.00 0.00 O ATOM 1617 CB PRO A 96 0.621 -15.078 1.855 1.00 0.00 C ATOM 1618 CG PRO A 96 0.384 -15.548 0.456 1.00 0.00 C ATOM 1619 CD PRO A 96 0.982 -14.517 -0.466 1.00 0.00 C ATOM 0 HA PRO A 96 1.924 -13.434 2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.722 -15.918 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.210 -14.471 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.844 -16.523 0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.683 -15.664 0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.451 -14.982 -1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.223 -13.831 -0.843 1.00 0.00 H new ATOM 1627 N PHE A 97 3.263 -15.512 3.363 1.00 0.00 N ATOM 1628 CA PHE A 97 4.425 -16.357 3.763 1.00 0.00 C ATOM 1629 C PHE A 97 4.216 -17.803 3.305 1.00 0.00 C ATOM 1630 O PHE A 97 3.142 -18.356 3.434 1.00 0.00 O ATOM 1631 CB PHE A 97 4.460 -16.281 5.289 1.00 0.00 C ATOM 1632 CG PHE A 97 5.846 -15.892 5.747 1.00 0.00 C ATOM 1633 CD1 PHE A 97 6.548 -14.883 5.077 1.00 0.00 C ATOM 1634 CD2 PHE A 97 6.427 -16.541 6.843 1.00 0.00 C ATOM 1635 CE1 PHE A 97 7.832 -14.524 5.504 1.00 0.00 C ATOM 1636 CE2 PHE A 97 7.711 -16.182 7.269 1.00 0.00 C ATOM 1637 CZ PHE A 97 8.413 -15.172 6.600 1.00 0.00 C ATOM 0 H PHE A 97 2.620 -15.275 4.119 1.00 0.00 H new ATOM 0 HA PHE A 97 5.357 -16.015 3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.731 -15.552 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.182 -17.244 5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.100 -14.382 4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.884 -17.319 7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 97 8.375 -13.746 4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 97 8.160 -16.684 8.113 1.00 0.00 H new ATOM 0 HZ PHE A 97 9.403 -14.893 6.930 1.00 0.00 H new ATOM 1647 N LEU A 98 5.236 -18.420 2.774 1.00 0.00 N ATOM 1648 CA LEU A 98 5.100 -19.832 2.313 1.00 0.00 C ATOM 1649 C LEU A 98 3.919 -19.965 1.347 1.00 0.00 C ATOM 1650 O LEU A 98 2.772 -19.934 1.743 1.00 0.00 O ATOM 1651 CB LEU A 98 4.845 -20.638 3.586 1.00 0.00 C ATOM 1652 CG LEU A 98 6.178 -21.100 4.176 1.00 0.00 C ATOM 1653 CD1 LEU A 98 6.834 -22.109 3.231 1.00 0.00 C ATOM 1654 CD2 LEU A 98 7.103 -19.893 4.351 1.00 0.00 C ATOM 0 H LEU A 98 6.159 -18.007 2.639 1.00 0.00 H new ATOM 0 HA LEU A 98 5.984 -20.179 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.306 -20.029 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.216 -21.500 3.363 1.00 0.00 H new ATOM 0 HG LEU A 98 6.002 -21.569 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.784 -22.438 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.177 -22.969 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.009 -21.640 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.054 -20.221 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.277 -19.425 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.638 -19.173 5.024 1.00 0.00 H new ATOM 1666 N ALA A 99 4.194 -20.117 0.080 1.00 0.00 N ATOM 1667 CA ALA A 99 3.089 -20.256 -0.911 1.00 0.00 C ATOM 1668 C ALA A 99 2.585 -21.702 -0.936 1.00 0.00 C ATOM 1669 O ALA A 99 3.077 -22.552 -0.221 1.00 0.00 O ATOM 1670 CB ALA A 99 3.714 -19.884 -2.256 1.00 0.00 C ATOM 0 H ALA A 99 5.135 -20.151 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 99 2.235 -19.624 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.962 -19.962 -3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.089 -18.861 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.538 -20.563 -2.475 1.00 0.00 H new ATOM 1676 N ASN A 100 1.610 -21.987 -1.754 1.00 0.00 N ATOM 1677 CA ASN A 100 1.082 -23.379 -1.822 1.00 0.00 C ATOM 1678 C ASN A 100 2.235 -24.371 -1.996 1.00 0.00 C ATOM 1679 O ASN A 100 2.642 -25.035 -1.063 1.00 0.00 O ATOM 1680 CB ASN A 100 0.168 -23.394 -3.049 1.00 0.00 C ATOM 1681 CG ASN A 100 -1.289 -23.512 -2.599 1.00 0.00 C ATOM 1682 OD1 ASN A 100 -1.977 -22.520 -2.462 1.00 0.00 O ATOM 1683 ND2 ASN A 100 -1.792 -24.693 -2.361 1.00 0.00 N ATOM 0 H ASN A 100 1.157 -21.318 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 100 0.550 -23.667 -0.915 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.307 -22.483 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.428 -24.230 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -2.762 -24.783 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.215 -25.526 -2.476 1.00 0.00 H new ATOM 1690 N ALA A 101 2.766 -24.472 -3.183 1.00 0.00 N ATOM 1691 CA ALA A 101 3.895 -25.418 -3.417 1.00 0.00 C ATOM 1692 C ALA A 101 5.072 -25.072 -2.501 1.00 0.00 C ATOM 1693 O ALA A 101 5.294 -25.807 -1.553 1.00 0.00 O ATOM 1694 CB ALA A 101 4.280 -25.216 -4.883 1.00 0.00 C ATOM 1695 OXT ALA A 101 5.732 -24.080 -2.764 1.00 0.00 O ATOM 0 H ALA A 101 2.468 -23.941 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 101 3.621 -26.451 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.108 -25.878 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.425 -25.445 -5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.583 -24.181 -5.040 1.00 0.00 H new TER 1701 ALA A 101