USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -6.06! C(o=-8.6!,f=-8.7!) USER MOD Set 1.2: A 96 GLN : amide:sc= -2.54! C(o=-8.6!,f=-8.2!) USER MOD Single : A 19 LYS NZ :NH3+ -152:sc=-0.00923 (180deg=-0.298) USER MOD Single : A 25 LYS NZ :NH3+ -111:sc= -0.14 (180deg=-3.45!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 61:sc= 0.569 USER MOD Single : A 42 SER OG : rot 87:sc= -0.307 USER MOD Single : A 46 THR OG1 : rot -179:sc= -0.927 USER MOD Single : A 51 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.2!) USER MOD Single : A 52 MET CE :methyl -174:sc= -1.18 (180deg=-1.45) USER MOD Single : A 53 MET CE :methyl 177:sc= -7.12! (180deg=-7.2!) USER MOD Single : A 54 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-2.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -59:sc= -1.47 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.051) USER MOD Single : A 69 GLN : amide:sc= -7.87 K(o=-7.9,f=-19!) USER MOD Single : A 71 MET CE :methyl 179:sc= -10.2! (180deg=-10.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -110:sc= -1.06 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 175:sc= -1.04 USER MOD Single : A 86 CYS SG : rot 87:sc= -3.06! USER MOD Single : A 87 GLN : amide:sc= -4.89! K(o=-4.9!,f=-4.1) USER MOD Single : A 88 SER OG : rot 180:sc= -0.572 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc=-0.000622 (180deg=-0.178) USER MOD Single : A 95 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.4) USER MOD Single : A 97 SER OG : rot 10:sc= 0.506 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.71 K(o=-1.7,f=-0.26) USER MOD Single : B -1 TYR OH : rot 180:sc= -0.354 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.735 -9.201 -9.503 1.00 0.00 N ATOM 2 CA GLU A 17 -14.757 -8.798 -10.508 1.00 0.00 C ATOM 3 C GLU A 17 -13.849 -7.691 -9.978 1.00 0.00 C ATOM 4 O GLU A 17 -14.316 -6.732 -9.365 1.00 0.00 O ATOM 5 CB GLU A 17 -15.466 -8.327 -11.780 1.00 0.00 C ATOM 6 CG GLU A 17 -16.314 -7.083 -11.579 1.00 0.00 C ATOM 7 CD GLU A 17 -17.675 -7.192 -12.238 1.00 0.00 C ATOM 8 OE1 GLU A 17 -18.234 -8.308 -12.266 1.00 0.00 O ATOM 9 OE2 GLU A 17 -18.184 -6.160 -12.725 1.00 0.00 O ATOM 0 HA GLU A 17 -14.140 -9.665 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.720 -8.127 -12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.100 -9.132 -12.152 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.445 -6.905 -10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.787 -6.219 -11.984 1.00 0.00 H new ATOM 16 N PHE A 18 -12.552 -7.832 -10.225 1.00 0.00 N ATOM 17 CA PHE A 18 -11.573 -6.844 -9.780 1.00 0.00 C ATOM 18 C PHE A 18 -11.807 -5.505 -10.467 1.00 0.00 C ATOM 19 O PHE A 18 -12.358 -5.451 -11.566 1.00 0.00 O ATOM 20 CB PHE A 18 -10.155 -7.334 -10.072 1.00 0.00 C ATOM 21 CG PHE A 18 -9.480 -7.952 -8.885 1.00 0.00 C ATOM 22 CD1 PHE A 18 -10.054 -9.026 -8.226 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.266 -7.461 -8.431 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.431 -9.599 -7.138 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.638 -8.030 -7.342 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.222 -9.101 -6.696 1.00 0.00 C ATOM 0 H PHE A 18 -12.152 -8.622 -10.732 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.691 -6.710 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.191 -8.064 -10.881 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.555 -6.496 -10.426 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.000 -9.419 -8.568 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.806 -6.624 -8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.888 -10.436 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.693 -7.639 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.733 -9.550 -5.844 1.00 0.00 H new ATOM 36 N LYS A 19 -11.383 -4.424 -9.818 1.00 0.00 N ATOM 37 CA LYS A 19 -11.554 -3.095 -10.386 1.00 0.00 C ATOM 38 C LYS A 19 -10.622 -2.078 -9.739 1.00 0.00 C ATOM 39 O LYS A 19 -10.583 -1.933 -8.513 1.00 0.00 O ATOM 40 CB LYS A 19 -13.005 -2.640 -10.241 1.00 0.00 C ATOM 41 CG LYS A 19 -13.515 -2.688 -8.810 1.00 0.00 C ATOM 42 CD LYS A 19 -13.868 -1.302 -8.292 1.00 0.00 C ATOM 43 CE LYS A 19 -14.907 -0.622 -9.172 1.00 0.00 C ATOM 44 NZ LYS A 19 -14.375 0.617 -9.804 1.00 0.00 N ATOM 0 H LYS A 19 -10.923 -4.443 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.297 -3.156 -11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.097 -1.621 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.639 -3.269 -10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.394 -3.331 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.756 -3.134 -8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.248 -1.380 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.968 -0.688 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.234 -1.314 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.784 -0.376 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.157 1.279 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.683 1.062 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.913 0.377 -10.704 1.00 0.00 H new ATOM 58 N ASP A 20 -9.881 -1.367 -10.583 1.00 0.00 N ATOM 59 CA ASP A 20 -8.950 -0.343 -10.126 1.00 0.00 C ATOM 60 C ASP A 20 -9.701 0.921 -9.724 1.00 0.00 C ATOM 61 O ASP A 20 -10.124 1.703 -10.576 1.00 0.00 O ATOM 62 CB ASP A 20 -7.934 -0.020 -11.224 1.00 0.00 C ATOM 63 CG ASP A 20 -6.869 0.952 -10.757 1.00 0.00 C ATOM 64 OD1 ASP A 20 -7.126 2.173 -10.783 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.775 0.491 -10.365 1.00 0.00 O ATOM 0 H ASP A 20 -9.909 -1.484 -11.596 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.419 -0.726 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.459 -0.942 -11.559 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.454 0.401 -12.084 1.00 0.00 H new ATOM 70 N VAL A 21 -9.864 1.109 -8.421 1.00 0.00 N ATOM 71 CA VAL A 21 -10.567 2.271 -7.897 1.00 0.00 C ATOM 72 C VAL A 21 -9.642 3.480 -7.818 1.00 0.00 C ATOM 73 O VAL A 21 -8.501 3.374 -7.370 1.00 0.00 O ATOM 74 CB VAL A 21 -11.148 1.995 -6.497 1.00 0.00 C ATOM 75 CG1 VAL A 21 -12.019 3.154 -6.037 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.936 0.693 -6.495 1.00 0.00 C ATOM 0 H VAL A 21 -9.517 0.469 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.385 2.482 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.320 1.896 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.419 2.938 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.421 4.065 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.842 3.291 -6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.339 0.513 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.755 0.762 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.279 -0.131 -6.774 1.00 0.00 H new ATOM 86 N PHE A 22 -10.142 4.629 -8.257 1.00 0.00 N ATOM 87 CA PHE A 22 -9.361 5.857 -8.235 1.00 0.00 C ATOM 88 C PHE A 22 -10.123 6.972 -7.530 1.00 0.00 C ATOM 89 O PHE A 22 -11.062 7.546 -8.085 1.00 0.00 O ATOM 90 CB PHE A 22 -9.000 6.283 -9.663 1.00 0.00 C ATOM 91 CG PHE A 22 -7.551 6.643 -9.847 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.558 5.960 -9.160 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.184 7.662 -10.709 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.230 6.288 -9.329 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.854 7.994 -10.882 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.876 7.306 -10.191 1.00 0.00 C ATOM 0 H PHE A 22 -11.085 4.735 -8.632 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.442 5.667 -7.680 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.252 5.473 -10.347 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.615 7.139 -9.942 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.829 5.162 -8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.945 8.203 -11.252 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.467 5.749 -8.787 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.579 8.791 -11.557 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.836 7.564 -10.325 1.00 0.00 H new ATOM 106 N ILE A 23 -9.713 7.273 -6.305 1.00 0.00 N ATOM 107 CA ILE A 23 -10.353 8.317 -5.521 1.00 0.00 C ATOM 108 C ILE A 23 -9.491 9.573 -5.474 1.00 0.00 C ATOM 109 O ILE A 23 -8.545 9.662 -4.690 1.00 0.00 O ATOM 110 CB ILE A 23 -10.637 7.842 -4.082 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.457 6.551 -4.107 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.357 8.926 -3.290 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.910 6.757 -4.485 1.00 0.00 C ATOM 0 H ILE A 23 -8.938 6.807 -5.833 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.299 8.550 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.687 7.640 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.002 5.856 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.410 6.082 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.548 8.571 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.735 9.821 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.303 9.164 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.427 5.797 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.382 7.426 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.968 7.196 -5.481 1.00 0.00 H new ATOM 125 N GLU A 24 -9.829 10.543 -6.314 1.00 0.00 N ATOM 126 CA GLU A 24 -9.095 11.800 -6.365 1.00 0.00 C ATOM 127 C GLU A 24 -9.707 12.804 -5.396 1.00 0.00 C ATOM 128 O GLU A 24 -10.814 13.296 -5.613 1.00 0.00 O ATOM 129 CB GLU A 24 -9.109 12.370 -7.785 1.00 0.00 C ATOM 130 CG GLU A 24 -8.770 11.344 -8.854 1.00 0.00 C ATOM 131 CD GLU A 24 -9.861 11.211 -9.902 1.00 0.00 C ATOM 132 OE1 GLU A 24 -10.998 10.856 -9.531 1.00 0.00 O ATOM 133 OE2 GLU A 24 -9.575 11.464 -11.092 1.00 0.00 O ATOM 0 H GLU A 24 -10.608 10.483 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.062 11.610 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.095 12.786 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.397 13.193 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.836 11.626 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.604 10.375 -8.383 1.00 0.00 H new ATOM 140 N LYS A 25 -8.986 13.096 -4.319 1.00 0.00 N ATOM 141 CA LYS A 25 -9.468 14.032 -3.312 1.00 0.00 C ATOM 142 C LYS A 25 -8.372 15.005 -2.898 1.00 0.00 C ATOM 143 O LYS A 25 -7.344 15.120 -3.565 1.00 0.00 O ATOM 144 CB LYS A 25 -9.987 13.264 -2.091 1.00 0.00 C ATOM 145 CG LYS A 25 -8.892 12.590 -1.278 1.00 0.00 C ATOM 146 CD LYS A 25 -8.344 11.360 -1.987 1.00 0.00 C ATOM 147 CE LYS A 25 -6.859 11.501 -2.287 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.017 11.079 -1.133 1.00 0.00 N ATOM 0 H LYS A 25 -8.068 12.699 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.284 14.611 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.534 13.952 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.697 12.507 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.083 13.298 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.286 12.303 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.508 10.479 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.890 11.202 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.606 10.899 -3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.636 12.538 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.547 11.911 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.617 10.630 -0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.299 10.400 -1.457 1.00 0.00 H new ATOM 162 N GLN A 26 -8.598 15.701 -1.792 1.00 0.00 N ATOM 163 CA GLN A 26 -7.632 16.661 -1.283 1.00 0.00 C ATOM 164 C GLN A 26 -6.936 16.109 -0.046 1.00 0.00 C ATOM 165 O GLN A 26 -7.421 15.165 0.578 1.00 0.00 O ATOM 166 CB GLN A 26 -8.323 17.985 -0.950 1.00 0.00 C ATOM 167 CG GLN A 26 -8.377 18.954 -2.120 1.00 0.00 C ATOM 168 CD GLN A 26 -9.597 18.743 -2.997 1.00 0.00 C ATOM 169 OE1 GLN A 26 -10.727 19.007 -2.583 1.00 0.00 O ATOM 170 NE2 GLN A 26 -9.374 18.265 -4.215 1.00 0.00 N ATOM 0 H GLN A 26 -9.445 15.617 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.884 16.840 -2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.339 17.780 -0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.800 18.460 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.379 19.976 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.476 18.840 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.421 18.060 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.155 18.102 -4.850 1.00 0.00 H new ATOM 179 N LYS A 27 -5.802 16.699 0.305 1.00 0.00 N ATOM 180 CA LYS A 27 -5.048 16.257 1.471 1.00 0.00 C ATOM 181 C LYS A 27 -5.875 16.425 2.735 1.00 0.00 C ATOM 182 O LYS A 27 -6.833 17.196 2.764 1.00 0.00 O ATOM 183 CB LYS A 27 -3.735 17.035 1.595 1.00 0.00 C ATOM 184 CG LYS A 27 -3.088 17.351 0.258 1.00 0.00 C ATOM 185 CD LYS A 27 -1.623 16.951 0.230 1.00 0.00 C ATOM 186 CE LYS A 27 -1.247 16.315 -1.098 1.00 0.00 C ATOM 187 NZ LYS A 27 0.093 16.763 -1.570 1.00 0.00 N ATOM 0 H LYS A 27 -5.385 17.482 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.814 15.200 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.923 17.967 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.036 16.458 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.622 16.829 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.177 18.418 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.001 17.829 0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.420 16.251 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.251 15.230 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.998 16.567 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.312 16.306 -2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.090 17.796 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.814 16.500 -0.868 1.00 0.00 H new ATOM 201 N GLY A 28 -5.509 15.686 3.771 1.00 0.00 N ATOM 202 CA GLY A 28 -6.242 15.759 5.017 1.00 0.00 C ATOM 203 C GLY A 28 -7.697 15.371 4.841 1.00 0.00 C ATOM 204 O GLY A 28 -8.538 15.698 5.677 1.00 0.00 O ATOM 0 H GLY A 28 -4.720 15.039 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.777 15.101 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.182 16.772 5.415 1.00 0.00 H new ATOM 208 N GLU A 29 -7.995 14.662 3.751 1.00 0.00 N ATOM 209 CA GLU A 29 -9.353 14.222 3.476 1.00 0.00 C ATOM 210 C GLU A 29 -9.384 12.716 3.284 1.00 0.00 C ATOM 211 O GLU A 29 -10.229 12.184 2.565 1.00 0.00 O ATOM 212 CB GLU A 29 -9.914 14.932 2.242 1.00 0.00 C ATOM 213 CG GLU A 29 -11.322 15.472 2.440 1.00 0.00 C ATOM 214 CD GLU A 29 -11.382 16.579 3.473 1.00 0.00 C ATOM 215 OE1 GLU A 29 -11.300 16.270 4.680 1.00 0.00 O ATOM 216 OE2 GLU A 29 -11.511 17.757 3.076 1.00 0.00 O ATOM 0 H GLU A 29 -7.311 14.383 3.048 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.981 14.480 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.252 15.755 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.915 14.237 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.700 15.847 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.979 14.658 2.746 1.00 0.00 H new ATOM 223 N ILE A 30 -8.447 12.052 3.957 1.00 0.00 N ATOM 224 CA ILE A 30 -8.300 10.592 3.927 1.00 0.00 C ATOM 225 C ILE A 30 -9.056 9.928 2.779 1.00 0.00 C ATOM 226 O ILE A 30 -8.473 9.598 1.747 1.00 0.00 O ATOM 227 CB ILE A 30 -8.736 9.955 5.264 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.859 10.759 5.919 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.551 9.842 6.208 1.00 0.00 C ATOM 230 CD1 ILE A 30 -11.001 9.895 6.397 1.00 0.00 C ATOM 0 H ILE A 30 -7.757 12.516 4.548 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.237 10.414 3.764 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.115 8.955 5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.454 11.317 6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.238 11.491 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.875 9.391 7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.781 9.219 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.146 10.835 6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.767 10.523 6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.429 9.357 5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.633 9.180 7.133 1.00 0.00 H new ATOM 242 N LEU A 31 -10.351 9.735 2.975 1.00 0.00 N ATOM 243 CA LEU A 31 -11.206 9.105 1.972 1.00 0.00 C ATOM 244 C LEU A 31 -12.598 8.894 2.542 1.00 0.00 C ATOM 245 O LEU A 31 -13.602 9.253 1.926 1.00 0.00 O ATOM 246 CB LEU A 31 -10.627 7.757 1.532 1.00 0.00 C ATOM 247 CG LEU A 31 -10.878 7.393 0.069 1.00 0.00 C ATOM 248 CD1 LEU A 31 -9.738 7.889 -0.805 1.00 0.00 C ATOM 249 CD2 LEU A 31 -11.058 5.890 -0.083 1.00 0.00 C ATOM 0 H LEU A 31 -10.840 10.008 3.828 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.258 9.763 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.552 7.765 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.048 6.974 2.163 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.796 7.881 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.933 7.621 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.658 8.973 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.804 7.429 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.236 5.649 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.158 5.379 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.910 5.563 0.514 1.00 0.00 H new ATOM 261 N GLY A 32 -12.640 8.317 3.736 1.00 0.00 N ATOM 262 CA GLY A 32 -13.905 8.068 4.400 1.00 0.00 C ATOM 263 C GLY A 32 -14.470 6.684 4.132 1.00 0.00 C ATOM 264 O GLY A 32 -15.511 6.550 3.489 1.00 0.00 O ATOM 0 H GLY A 32 -11.817 8.016 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.773 8.196 5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.629 8.816 4.077 1.00 0.00 H new ATOM 268 N VAL A 33 -13.797 5.655 4.640 1.00 0.00 N ATOM 269 CA VAL A 33 -14.258 4.280 4.465 1.00 0.00 C ATOM 270 C VAL A 33 -13.786 3.394 5.615 1.00 0.00 C ATOM 271 O VAL A 33 -12.798 3.700 6.278 1.00 0.00 O ATOM 272 CB VAL A 33 -13.823 3.667 3.103 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.702 4.747 2.036 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.520 2.882 3.215 1.00 0.00 C ATOM 0 H VAL A 33 -12.933 5.746 5.175 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.347 4.320 4.468 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.603 2.965 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.397 4.294 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.665 5.240 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.957 5.481 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.257 2.473 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.725 3.544 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.646 2.067 3.928 1.00 0.00 H new ATOM 284 N VAL A 34 -14.502 2.303 5.848 1.00 0.00 N ATOM 285 CA VAL A 34 -14.149 1.378 6.917 1.00 0.00 C ATOM 286 C VAL A 34 -13.876 -0.014 6.372 1.00 0.00 C ATOM 287 O VAL A 34 -14.722 -0.613 5.708 1.00 0.00 O ATOM 288 CB VAL A 34 -15.253 1.293 7.982 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.835 0.378 9.124 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.595 2.680 8.503 1.00 0.00 C ATOM 0 H VAL A 34 -15.329 2.037 5.313 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.243 1.768 7.380 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.144 0.868 7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.633 0.334 9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.644 -0.623 8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.929 0.767 9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.379 2.603 9.257 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.708 3.131 8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.944 3.302 7.679 1.00 0.00 H new ATOM 300 N ILE A 35 -12.689 -0.522 6.663 1.00 0.00 N ATOM 301 CA ILE A 35 -12.286 -1.840 6.216 1.00 0.00 C ATOM 302 C ILE A 35 -12.186 -2.803 7.392 1.00 0.00 C ATOM 303 O ILE A 35 -11.728 -2.432 8.472 1.00 0.00 O ATOM 304 CB ILE A 35 -10.937 -1.787 5.489 1.00 0.00 C ATOM 305 CG1 ILE A 35 -9.936 -0.942 6.273 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.113 -1.239 4.080 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.539 -1.508 6.250 1.00 0.00 C ATOM 0 H ILE A 35 -11.983 -0.033 7.213 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.048 -2.196 5.523 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.545 -2.802 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.920 0.067 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.271 -0.859 7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.146 -1.208 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.791 -1.884 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.528 -0.232 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.875 -0.862 6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.543 -2.506 6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.187 -1.566 5.220 1.00 0.00 H new ATOM 319 N VAL A 36 -12.618 -4.039 7.178 1.00 0.00 N ATOM 320 CA VAL A 36 -12.578 -5.053 8.223 1.00 0.00 C ATOM 321 C VAL A 36 -12.000 -6.361 7.697 1.00 0.00 C ATOM 322 O VAL A 36 -11.836 -6.535 6.491 1.00 0.00 O ATOM 323 CB VAL A 36 -13.983 -5.321 8.797 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.544 -4.065 9.446 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.918 -5.830 7.711 1.00 0.00 C ATOM 0 H VAL A 36 -13.000 -4.363 6.290 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.936 -4.667 9.015 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.899 -6.092 9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.536 -4.274 9.845 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.886 -3.749 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.612 -3.271 8.703 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.905 -6.013 8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.997 -5.084 6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.524 -6.758 7.297 1.00 0.00 H new ATOM 335 N GLU A 37 -11.695 -7.279 8.608 1.00 0.00 N ATOM 336 CA GLU A 37 -11.140 -8.573 8.229 1.00 0.00 C ATOM 337 C GLU A 37 -12.083 -9.312 7.286 1.00 0.00 C ATOM 338 O GLU A 37 -13.286 -9.399 7.534 1.00 0.00 O ATOM 339 CB GLU A 37 -10.868 -9.421 9.473 1.00 0.00 C ATOM 340 CG GLU A 37 -9.471 -9.235 10.041 1.00 0.00 C ATOM 341 CD GLU A 37 -9.433 -9.382 11.550 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.656 -8.371 12.250 1.00 0.00 O ATOM 343 OE2 GLU A 37 -9.179 -10.505 12.031 1.00 0.00 O ATOM 0 H GLU A 37 -11.822 -7.151 9.612 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.198 -8.399 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.600 -9.170 10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.014 -10.472 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.799 -9.966 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.099 -8.248 9.766 1.00 0.00 H new ATOM 350 N SER A 38 -11.527 -9.835 6.199 1.00 0.00 N ATOM 351 CA SER A 38 -12.312 -10.559 5.208 1.00 0.00 C ATOM 352 C SER A 38 -12.736 -11.931 5.725 1.00 0.00 C ATOM 353 O SER A 38 -12.085 -12.939 5.453 1.00 0.00 O ATOM 354 CB SER A 38 -11.508 -10.709 3.915 1.00 0.00 C ATOM 355 OG SER A 38 -10.514 -11.712 4.042 1.00 0.00 O ATOM 0 H SER A 38 -10.532 -9.770 5.982 1.00 0.00 H new ATOM 0 HA SER A 38 -13.216 -9.984 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.179 -10.960 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.039 -9.758 3.663 1.00 0.00 H new ATOM 0 HG SER A 38 -10.941 -12.574 4.229 1.00 0.00 H new ATOM 361 N GLY A 39 -13.836 -11.963 6.471 1.00 0.00 N ATOM 362 CA GLY A 39 -14.333 -13.218 7.010 1.00 0.00 C ATOM 363 C GLY A 39 -15.194 -13.986 6.027 1.00 0.00 C ATOM 364 O GLY A 39 -15.551 -15.137 6.274 1.00 0.00 O ATOM 0 H GLY A 39 -14.393 -11.143 6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.488 -13.839 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.912 -13.016 7.911 1.00 0.00 H new ATOM 368 N TRP A 40 -15.517 -13.350 4.906 1.00 0.00 N ATOM 369 CA TRP A 40 -16.324 -13.975 3.864 1.00 0.00 C ATOM 370 C TRP A 40 -15.689 -15.293 3.413 1.00 0.00 C ATOM 371 O TRP A 40 -14.834 -15.848 4.104 1.00 0.00 O ATOM 372 CB TRP A 40 -16.431 -13.018 2.677 1.00 0.00 C ATOM 373 CG TRP A 40 -15.107 -12.761 2.028 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.877 -12.858 2.616 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.872 -12.369 0.674 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.896 -12.563 1.707 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.479 -12.255 0.511 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.700 -12.104 -0.417 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.899 -11.894 -0.693 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -15.123 -11.739 -1.618 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.732 -11.637 -1.749 1.00 0.00 C ATOM 0 H TRP A 40 -15.230 -12.394 4.695 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.317 -14.189 4.259 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.119 -13.433 1.940 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.857 -12.073 3.014 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.704 -13.128 3.647 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.893 -12.572 1.893 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.773 -12.183 -0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.827 -11.818 -0.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.754 -11.529 -2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.309 -11.350 -2.700 1.00 0.00 H new ATOM 392 N GLY A 41 -16.088 -15.785 2.240 1.00 0.00 N ATOM 393 CA GLY A 41 -15.517 -17.019 1.727 1.00 0.00 C ATOM 394 C GLY A 41 -13.998 -16.997 1.765 1.00 0.00 C ATOM 395 O GLY A 41 -13.353 -18.044 1.847 1.00 0.00 O ATOM 0 H GLY A 41 -16.792 -15.354 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.883 -17.861 2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.853 -17.176 0.702 1.00 0.00 H new ATOM 399 N SER A 42 -13.434 -15.792 1.708 1.00 0.00 N ATOM 400 CA SER A 42 -11.988 -15.592 1.740 1.00 0.00 C ATOM 401 C SER A 42 -11.375 -15.818 0.376 1.00 0.00 C ATOM 402 O SER A 42 -10.352 -16.489 0.235 1.00 0.00 O ATOM 403 CB SER A 42 -11.315 -16.485 2.778 1.00 0.00 C ATOM 404 OG SER A 42 -12.218 -16.854 3.807 1.00 0.00 O ATOM 0 H SER A 42 -13.968 -14.926 1.638 1.00 0.00 H new ATOM 0 HA SER A 42 -11.817 -14.555 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.928 -17.381 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.462 -15.963 3.211 1.00 0.00 H new ATOM 0 HG SER A 42 -12.708 -17.659 3.539 1.00 0.00 H new ATOM 410 N ILE A 43 -11.997 -15.218 -0.619 1.00 0.00 N ATOM 411 CA ILE A 43 -11.527 -15.303 -1.980 1.00 0.00 C ATOM 412 C ILE A 43 -10.077 -14.824 -2.062 1.00 0.00 C ATOM 413 O ILE A 43 -9.238 -15.433 -2.725 1.00 0.00 O ATOM 414 CB ILE A 43 -12.421 -14.449 -2.875 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.849 -14.983 -2.828 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.901 -14.409 -4.292 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.852 -14.065 -3.479 1.00 0.00 C ATOM 0 H ILE A 43 -12.842 -14.659 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.568 -16.339 -2.317 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.414 -13.425 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.882 -15.954 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.135 -15.144 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.560 -13.793 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.897 -13.985 -4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.870 -15.420 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.847 -14.505 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.846 -13.101 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.589 -13.924 -4.527 1.00 0.00 H new ATOM 429 N LEU A 44 -9.801 -13.737 -1.351 1.00 0.00 N ATOM 430 CA LEU A 44 -8.464 -13.157 -1.288 1.00 0.00 C ATOM 431 C LEU A 44 -8.296 -12.416 0.039 1.00 0.00 C ATOM 432 O LEU A 44 -8.589 -11.226 0.135 1.00 0.00 O ATOM 433 CB LEU A 44 -8.201 -12.202 -2.461 1.00 0.00 C ATOM 434 CG LEU A 44 -9.264 -12.172 -3.566 1.00 0.00 C ATOM 435 CD1 LEU A 44 -10.531 -11.489 -3.077 1.00 0.00 C ATOM 436 CD2 LEU A 44 -8.719 -11.467 -4.795 1.00 0.00 C ATOM 0 H LEU A 44 -10.497 -13.233 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.738 -13.967 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.093 -11.193 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.246 -12.470 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.515 -13.199 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.271 -11.479 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.930 -12.032 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.302 -10.465 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.482 -11.451 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.444 -10.445 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.840 -11.998 -5.159 1.00 0.00 H new ATOM 448 N PRO A 45 -7.844 -13.125 1.087 1.00 0.00 N ATOM 449 CA PRO A 45 -7.660 -12.550 2.425 1.00 0.00 C ATOM 450 C PRO A 45 -7.028 -11.161 2.425 1.00 0.00 C ATOM 451 O PRO A 45 -5.835 -11.011 2.166 1.00 0.00 O ATOM 452 CB PRO A 45 -6.732 -13.557 3.097 1.00 0.00 C ATOM 453 CG PRO A 45 -7.086 -14.863 2.477 1.00 0.00 C ATOM 454 CD PRO A 45 -7.496 -14.562 1.058 1.00 0.00 C ATOM 0 HA PRO A 45 -8.616 -12.399 2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.685 -13.307 2.926 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.883 -13.576 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.237 -15.547 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.898 -15.345 3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.686 -14.763 0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.344 -15.173 0.749 1.00 0.00 H new ATOM 462 N THR A 46 -7.835 -10.152 2.753 1.00 0.00 N ATOM 463 CA THR A 46 -7.358 -8.772 2.830 1.00 0.00 C ATOM 464 C THR A 46 -8.239 -7.955 3.782 1.00 0.00 C ATOM 465 O THR A 46 -7.989 -7.919 4.986 1.00 0.00 O ATOM 466 CB THR A 46 -7.299 -8.117 1.444 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.402 -6.710 1.555 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.384 -8.580 0.498 1.00 0.00 C ATOM 0 H THR A 46 -8.825 -10.266 2.970 1.00 0.00 H new ATOM 0 HA THR A 46 -6.342 -8.791 3.225 1.00 0.00 H new ATOM 0 HB THR A 46 -6.337 -8.420 1.030 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.372 -6.308 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.273 -8.071 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.301 -9.657 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.361 -8.347 0.922 1.00 0.00 H new ATOM 476 N VAL A 47 -9.277 -7.313 3.242 1.00 0.00 N ATOM 477 CA VAL A 47 -10.191 -6.513 4.055 1.00 0.00 C ATOM 478 C VAL A 47 -11.518 -6.298 3.333 1.00 0.00 C ATOM 479 O VAL A 47 -11.635 -6.574 2.138 1.00 0.00 O ATOM 480 CB VAL A 47 -9.596 -5.139 4.425 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.786 -5.233 5.709 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.751 -4.586 3.289 1.00 0.00 C ATOM 0 H VAL A 47 -9.504 -7.332 2.248 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.356 -7.077 4.973 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.421 -4.447 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.375 -4.253 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.430 -5.568 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.972 -5.945 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.344 -3.617 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.933 -5.274 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.369 -4.470 2.399 1.00 0.00 H new ATOM 492 N ILE A 48 -12.519 -5.811 4.062 1.00 0.00 N ATOM 493 CA ILE A 48 -13.838 -5.572 3.482 1.00 0.00 C ATOM 494 C ILE A 48 -14.387 -4.200 3.847 1.00 0.00 C ATOM 495 O ILE A 48 -14.432 -3.832 5.021 1.00 0.00 O ATOM 496 CB ILE A 48 -14.878 -6.625 3.938 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.233 -7.726 4.780 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.580 -7.225 2.738 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.243 -8.590 5.504 1.00 0.00 C ATOM 0 H ILE A 48 -12.443 -5.575 5.051 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.689 -5.639 2.404 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.612 -6.116 4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.621 -8.356 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.563 -7.271 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.308 -7.963 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.091 -6.438 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.847 -7.707 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.721 -9.352 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.839 -7.970 6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.897 -9.072 4.777 1.00 0.00 H new ATOM 511 N ILE A 49 -14.848 -3.459 2.842 1.00 0.00 N ATOM 512 CA ILE A 49 -15.436 -2.161 3.071 1.00 0.00 C ATOM 513 C ILE A 49 -16.760 -2.339 3.784 1.00 0.00 C ATOM 514 O ILE A 49 -17.790 -2.601 3.163 1.00 0.00 O ATOM 515 CB ILE A 49 -15.645 -1.416 1.749 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.308 -1.273 1.033 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.277 -0.058 1.992 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.416 -0.593 -0.307 1.00 0.00 C ATOM 0 H ILE A 49 -14.821 -3.744 1.863 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.761 -1.567 3.687 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.326 -1.988 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.624 -0.707 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.870 -2.262 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.416 0.454 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.243 -0.188 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.626 0.537 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.427 -0.525 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.074 -1.171 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.825 0.409 -0.175 1.00 0.00 H new ATOM 530 N ALA A 50 -16.707 -2.239 5.097 1.00 0.00 N ATOM 531 CA ALA A 50 -17.878 -2.430 5.928 1.00 0.00 C ATOM 532 C ALA A 50 -18.564 -1.112 6.280 1.00 0.00 C ATOM 533 O ALA A 50 -19.599 -1.104 6.945 1.00 0.00 O ATOM 534 CB ALA A 50 -17.468 -3.179 7.178 1.00 0.00 C ATOM 0 H ALA A 50 -15.855 -2.024 5.616 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.610 -3.011 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.340 -3.330 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.048 -4.146 6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.720 -2.600 7.720 1.00 0.00 H new ATOM 540 N ASN A 51 -17.995 0.002 5.828 1.00 0.00 N ATOM 541 CA ASN A 51 -18.576 1.312 6.103 1.00 0.00 C ATOM 542 C ASN A 51 -17.945 2.387 5.223 1.00 0.00 C ATOM 543 O ASN A 51 -16.848 2.204 4.694 1.00 0.00 O ATOM 544 CB ASN A 51 -18.408 1.671 7.581 1.00 0.00 C ATOM 545 CG ASN A 51 -19.733 1.853 8.291 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.770 2.048 7.655 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.707 1.791 9.617 1.00 0.00 N ATOM 0 H ASN A 51 -17.139 0.024 5.274 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.640 1.264 5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.838 0.887 8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.826 2.589 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.569 1.907 10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.825 1.628 10.103 1.00 0.00 H new ATOM 554 N MET A 52 -18.648 3.506 5.062 1.00 0.00 N ATOM 555 CA MET A 52 -18.155 4.602 4.235 1.00 0.00 C ATOM 556 C MET A 52 -18.739 5.943 4.674 1.00 0.00 C ATOM 557 O MET A 52 -19.940 6.058 4.916 1.00 0.00 O ATOM 558 CB MET A 52 -18.491 4.345 2.767 1.00 0.00 C ATOM 559 CG MET A 52 -17.345 4.643 1.816 1.00 0.00 C ATOM 560 SD MET A 52 -17.828 4.516 0.083 1.00 0.00 S ATOM 561 CE MET A 52 -18.956 3.126 0.142 1.00 0.00 C ATOM 0 H MET A 52 -19.557 3.676 5.492 1.00 0.00 H new ATOM 0 HA MET A 52 -17.073 4.650 4.358 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.788 3.303 2.649 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.350 4.955 2.488 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.968 5.647 2.011 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.526 3.951 2.012 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.256 2.858 -0.871 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.461 2.275 0.611 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.838 3.398 0.722 1.00 0.00 H new ATOM 571 N MET A 53 -17.881 6.955 4.758 1.00 0.00 N ATOM 572 CA MET A 53 -18.312 8.293 5.148 1.00 0.00 C ATOM 573 C MET A 53 -19.119 8.937 4.029 1.00 0.00 C ATOM 574 O MET A 53 -18.554 9.451 3.064 1.00 0.00 O ATOM 575 CB MET A 53 -17.105 9.172 5.485 1.00 0.00 C ATOM 576 CG MET A 53 -16.311 8.693 6.689 1.00 0.00 C ATOM 577 SD MET A 53 -15.597 10.054 7.637 1.00 0.00 S ATOM 578 CE MET A 53 -13.938 10.117 6.961 1.00 0.00 C ATOM 0 H MET A 53 -16.883 6.874 4.561 1.00 0.00 H new ATOM 0 HA MET A 53 -18.940 8.202 6.034 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.444 9.212 4.619 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.449 10.189 5.671 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.961 8.105 7.337 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.513 8.031 6.353 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.393 10.946 7.412 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.421 9.182 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.990 10.262 5.882 1.00 0.00 H new ATOM 588 N HIS A 54 -20.439 8.905 4.160 1.00 0.00 N ATOM 589 CA HIS A 54 -21.322 9.483 3.154 1.00 0.00 C ATOM 590 C HIS A 54 -21.130 10.994 3.067 1.00 0.00 C ATOM 591 O HIS A 54 -21.946 11.764 3.574 1.00 0.00 O ATOM 592 CB HIS A 54 -22.782 9.156 3.481 1.00 0.00 C ATOM 593 CG HIS A 54 -23.379 8.121 2.582 1.00 0.00 C ATOM 594 ND1 HIS A 54 -23.944 8.421 1.360 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.500 6.780 2.729 1.00 0.00 C ATOM 596 CE1 HIS A 54 -24.386 7.311 0.797 1.00 0.00 C ATOM 597 NE2 HIS A 54 -24.129 6.302 1.608 1.00 0.00 N ATOM 0 H HIS A 54 -20.923 8.485 4.954 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.069 9.048 2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.846 8.810 4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.374 10.069 3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.164 6.196 3.573 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.875 7.241 -0.164 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.361 5.325 1.430 1.00 0.00 H new ATOM 606 N GLY A 55 -20.046 11.415 2.420 1.00 0.00 N ATOM 607 CA GLY A 55 -19.775 12.833 2.283 1.00 0.00 C ATOM 608 C GLY A 55 -18.395 13.097 1.723 1.00 0.00 C ATOM 609 O GLY A 55 -18.195 14.037 0.955 1.00 0.00 O ATOM 0 H GLY A 55 -19.354 10.801 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.523 13.283 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.869 13.315 3.256 1.00 0.00 H new ATOM 613 N GLY A 56 -17.442 12.254 2.105 1.00 0.00 N ATOM 614 CA GLY A 56 -16.087 12.408 1.623 1.00 0.00 C ATOM 615 C GLY A 56 -15.951 11.997 0.171 1.00 0.00 C ATOM 616 O GLY A 56 -16.953 11.762 -0.505 1.00 0.00 O ATOM 0 H GLY A 56 -17.586 11.468 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.778 13.447 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.414 11.807 2.235 1.00 0.00 H new ATOM 620 N PRO A 57 -14.717 11.898 -0.342 1.00 0.00 N ATOM 621 CA PRO A 57 -14.467 11.505 -1.731 1.00 0.00 C ATOM 622 C PRO A 57 -14.811 10.042 -1.996 1.00 0.00 C ATOM 623 O PRO A 57 -14.930 9.623 -3.148 1.00 0.00 O ATOM 624 CB PRO A 57 -12.966 11.742 -1.905 1.00 0.00 C ATOM 625 CG PRO A 57 -12.407 11.617 -0.531 1.00 0.00 C ATOM 626 CD PRO A 57 -13.464 12.154 0.393 1.00 0.00 C ATOM 0 HA PRO A 57 -15.085 12.070 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.524 11.010 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.766 12.727 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.174 10.578 -0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.479 12.181 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.452 11.646 1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.323 13.217 0.591 1.00 0.00 H new ATOM 634 N ALA A 58 -14.964 9.262 -0.926 1.00 0.00 N ATOM 635 CA ALA A 58 -15.286 7.851 -1.059 1.00 0.00 C ATOM 636 C ALA A 58 -16.671 7.665 -1.656 1.00 0.00 C ATOM 637 O ALA A 58 -16.856 6.907 -2.609 1.00 0.00 O ATOM 638 CB ALA A 58 -15.192 7.159 0.293 1.00 0.00 C ATOM 0 H ALA A 58 -14.870 9.586 0.036 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.562 7.397 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.436 6.103 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.179 7.258 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.894 7.620 0.987 1.00 0.00 H new ATOM 644 N GLU A 59 -17.641 8.367 -1.089 1.00 0.00 N ATOM 645 CA GLU A 59 -19.018 8.296 -1.558 1.00 0.00 C ATOM 646 C GLU A 59 -19.204 9.116 -2.832 1.00 0.00 C ATOM 647 O GLU A 59 -19.926 8.712 -3.744 1.00 0.00 O ATOM 648 CB GLU A 59 -19.973 8.797 -0.473 1.00 0.00 C ATOM 649 CG GLU A 59 -21.265 8.004 -0.386 1.00 0.00 C ATOM 650 CD GLU A 59 -22.177 8.241 -1.573 1.00 0.00 C ATOM 651 OE1 GLU A 59 -22.169 9.368 -2.113 1.00 0.00 O ATOM 652 OE2 GLU A 59 -22.899 7.300 -1.967 1.00 0.00 O ATOM 0 H GLU A 59 -17.499 8.996 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.245 7.254 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.467 8.757 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.211 9.843 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.031 6.942 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.791 8.273 0.530 1.00 0.00 H new ATOM 659 N LYS A 60 -18.550 10.273 -2.882 1.00 0.00 N ATOM 660 CA LYS A 60 -18.642 11.159 -4.036 1.00 0.00 C ATOM 661 C LYS A 60 -18.210 10.448 -5.315 1.00 0.00 C ATOM 662 O LYS A 60 -18.887 10.526 -6.340 1.00 0.00 O ATOM 663 CB LYS A 60 -17.780 12.403 -3.816 1.00 0.00 C ATOM 664 CG LYS A 60 -18.415 13.429 -2.892 1.00 0.00 C ATOM 665 CD LYS A 60 -17.719 14.777 -2.994 1.00 0.00 C ATOM 666 CE LYS A 60 -18.477 15.855 -2.238 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.581 16.956 -1.797 1.00 0.00 N ATOM 0 H LYS A 60 -17.949 10.619 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.684 11.457 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.818 12.100 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.579 12.870 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.470 13.543 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.369 13.072 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.707 14.696 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.628 15.062 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.264 16.260 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -18.965 15.414 -1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.136 17.671 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.845 16.574 -1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.134 17.394 -2.628 1.00 0.00 H new ATOM 681 N SER A 61 -17.076 9.758 -5.247 1.00 0.00 N ATOM 682 CA SER A 61 -16.548 9.036 -6.399 1.00 0.00 C ATOM 683 C SER A 61 -17.566 8.031 -6.929 1.00 0.00 C ATOM 684 O SER A 61 -18.036 8.147 -8.061 1.00 0.00 O ATOM 685 CB SER A 61 -15.254 8.314 -6.022 1.00 0.00 C ATOM 686 OG SER A 61 -15.507 7.247 -5.124 1.00 0.00 O ATOM 0 H SER A 61 -16.505 9.684 -4.405 1.00 0.00 H new ATOM 0 HA SER A 61 -16.339 9.762 -7.185 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.773 7.930 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.560 9.020 -5.566 1.00 0.00 H new ATOM 0 HG SER A 61 -15.937 7.595 -4.315 1.00 0.00 H new ATOM 692 N GLY A 62 -17.896 7.040 -6.107 1.00 0.00 N ATOM 693 CA GLY A 62 -18.847 6.026 -6.516 1.00 0.00 C ATOM 694 C GLY A 62 -18.168 4.734 -6.935 1.00 0.00 C ATOM 695 O GLY A 62 -18.829 3.718 -7.147 1.00 0.00 O ATOM 0 H GLY A 62 -17.521 6.922 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.534 5.823 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.445 6.405 -7.345 1.00 0.00 H new ATOM 699 N LYS A 63 -16.842 4.773 -7.052 1.00 0.00 N ATOM 700 CA LYS A 63 -16.073 3.600 -7.443 1.00 0.00 C ATOM 701 C LYS A 63 -16.018 2.591 -6.301 1.00 0.00 C ATOM 702 O LYS A 63 -15.962 1.382 -6.528 1.00 0.00 O ATOM 703 CB LYS A 63 -14.653 4.005 -7.850 1.00 0.00 C ATOM 704 CG LYS A 63 -14.597 5.239 -8.741 1.00 0.00 C ATOM 705 CD LYS A 63 -14.560 4.865 -10.212 1.00 0.00 C ATOM 706 CE LYS A 63 -13.286 4.114 -10.564 1.00 0.00 C ATOM 707 NZ LYS A 63 -13.012 4.139 -12.028 1.00 0.00 N ATOM 0 H LYS A 63 -16.280 5.607 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.567 3.136 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.066 4.191 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.182 3.171 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.465 5.868 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.714 5.828 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.426 4.248 -10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.632 5.767 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.445 4.556 -10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.369 3.080 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.135 3.616 -12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.803 3.694 -12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.907 5.124 -12.345 1.00 0.00 H new ATOM 721 N LEU A 64 -16.039 3.098 -5.073 1.00 0.00 N ATOM 722 CA LEU A 64 -15.996 2.247 -3.890 1.00 0.00 C ATOM 723 C LEU A 64 -17.400 2.002 -3.348 1.00 0.00 C ATOM 724 O LEU A 64 -18.175 2.938 -3.158 1.00 0.00 O ATOM 725 CB LEU A 64 -15.125 2.885 -2.807 1.00 0.00 C ATOM 726 CG LEU A 64 -13.644 3.019 -3.163 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.922 3.874 -2.134 1.00 0.00 C ATOM 728 CD2 LEU A 64 -12.996 1.646 -3.266 1.00 0.00 C ATOM 0 H LEU A 64 -16.086 4.097 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.562 1.289 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.520 3.876 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.212 2.292 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.566 3.511 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.869 3.958 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.370 4.867 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.008 3.411 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.942 1.759 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.085 1.129 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.496 1.065 -4.041 1.00 0.00 H new ATOM 740 N ASN A 65 -17.720 0.737 -3.100 1.00 0.00 N ATOM 741 CA ASN A 65 -19.030 0.369 -2.577 1.00 0.00 C ATOM 742 C ASN A 65 -18.903 -0.722 -1.519 1.00 0.00 C ATOM 743 O ASN A 65 -18.184 -1.702 -1.710 1.00 0.00 O ATOM 744 CB ASN A 65 -19.939 -0.106 -3.711 1.00 0.00 C ATOM 745 CG ASN A 65 -20.271 1.004 -4.689 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.949 1.970 -4.343 1.00 0.00 O ATOM 747 ND2 ASN A 65 -19.793 0.868 -5.921 1.00 0.00 N ATOM 0 H ASN A 65 -17.090 -0.051 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.472 1.251 -2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.453 -0.923 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.862 -0.504 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.984 1.582 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.235 0.050 -6.164 1.00 0.00 H new ATOM 754 N ILE A 66 -19.602 -0.545 -0.401 1.00 0.00 N ATOM 755 CA ILE A 66 -19.567 -1.508 0.688 1.00 0.00 C ATOM 756 C ILE A 66 -19.729 -2.937 0.185 1.00 0.00 C ATOM 757 O ILE A 66 -20.462 -3.196 -0.770 1.00 0.00 O ATOM 758 CB ILE A 66 -20.657 -1.186 1.718 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.429 0.223 2.250 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.656 -2.195 2.861 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.075 0.414 2.889 1.00 0.00 C ATOM 0 H ILE A 66 -20.202 0.262 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.589 -1.432 1.162 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.632 -1.246 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.539 0.934 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.203 0.456 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.440 -1.938 3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -20.839 -3.194 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.689 -2.175 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.982 1.440 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -18.969 -0.273 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.295 0.213 2.155 1.00 0.00 H new ATOM 773 N GLY A 67 -19.033 -3.861 0.835 1.00 0.00 N ATOM 774 CA GLY A 67 -19.100 -5.255 0.445 1.00 0.00 C ATOM 775 C GLY A 67 -18.019 -5.635 -0.551 1.00 0.00 C ATOM 776 O GLY A 67 -18.080 -6.702 -1.160 1.00 0.00 O ATOM 0 H GLY A 67 -18.421 -3.668 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.008 -5.882 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.078 -5.460 0.010 1.00 0.00 H new ATOM 780 N ASP A 68 -17.024 -4.764 -0.717 1.00 0.00 N ATOM 781 CA ASP A 68 -15.930 -5.024 -1.645 1.00 0.00 C ATOM 782 C ASP A 68 -14.642 -5.328 -0.888 1.00 0.00 C ATOM 783 O ASP A 68 -14.510 -4.990 0.288 1.00 0.00 O ATOM 784 CB ASP A 68 -15.721 -3.827 -2.573 1.00 0.00 C ATOM 785 CG ASP A 68 -16.961 -3.499 -3.382 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.814 -4.395 -3.548 1.00 0.00 O ATOM 787 OD2 ASP A 68 -17.077 -2.348 -3.852 1.00 0.00 O ATOM 0 H ASP A 68 -16.955 -3.875 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.194 -5.894 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.436 -2.957 -1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.893 -4.036 -3.251 1.00 0.00 H new ATOM 792 N GLN A 69 -13.697 -5.971 -1.566 1.00 0.00 N ATOM 793 CA GLN A 69 -12.421 -6.319 -0.946 1.00 0.00 C ATOM 794 C GLN A 69 -11.268 -5.575 -1.612 1.00 0.00 C ATOM 795 O GLN A 69 -11.021 -5.735 -2.808 1.00 0.00 O ATOM 796 CB GLN A 69 -12.185 -7.827 -1.032 1.00 0.00 C ATOM 797 CG GLN A 69 -13.049 -8.631 -0.076 1.00 0.00 C ATOM 798 CD GLN A 69 -12.271 -9.163 1.109 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.585 -8.860 2.259 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.247 -9.961 0.834 1.00 0.00 N ATOM 0 H GLN A 69 -13.788 -6.261 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.463 -6.022 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.379 -8.160 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.136 -8.035 -0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.866 -8.005 0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.499 -9.465 -0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.022 -10.186 -0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.685 -10.349 1.592 1.00 0.00 H new ATOM 809 N ILE A 70 -10.563 -4.762 -0.831 1.00 0.00 N ATOM 810 CA ILE A 70 -9.435 -3.993 -1.348 1.00 0.00 C ATOM 811 C ILE A 70 -8.131 -4.770 -1.211 1.00 0.00 C ATOM 812 O ILE A 70 -7.664 -5.023 -0.104 1.00 0.00 O ATOM 813 CB ILE A 70 -9.289 -2.641 -0.621 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.652 -1.954 -0.479 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.305 -1.745 -1.364 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.991 -1.581 0.948 1.00 0.00 C ATOM 0 H ILE A 70 -10.752 -4.619 0.161 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.640 -3.809 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 70 -8.898 -2.825 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.663 -1.054 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.426 -2.615 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.212 -0.794 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.331 -2.232 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.668 -1.567 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.968 -1.099 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.012 -2.480 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.237 -0.895 1.334 1.00 0.00 H new ATOM 828 N MET A 71 -7.551 -5.149 -2.345 1.00 0.00 N ATOM 829 CA MET A 71 -6.302 -5.905 -2.350 1.00 0.00 C ATOM 830 C MET A 71 -5.113 -5.032 -1.966 1.00 0.00 C ATOM 831 O MET A 71 -4.492 -5.236 -0.924 1.00 0.00 O ATOM 832 CB MET A 71 -6.057 -6.521 -3.727 1.00 0.00 C ATOM 833 CG MET A 71 -7.072 -7.579 -4.117 1.00 0.00 C ATOM 834 SD MET A 71 -7.246 -8.872 -2.874 1.00 0.00 S ATOM 835 CE MET A 71 -9.019 -8.868 -2.626 1.00 0.00 C ATOM 0 H MET A 71 -7.925 -4.946 -3.272 1.00 0.00 H new ATOM 0 HA MET A 71 -6.400 -6.696 -1.607 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.067 -5.729 -4.476 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.061 -6.963 -3.744 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.040 -7.105 -4.279 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.775 -8.029 -5.064 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.286 -9.631 -1.894 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.333 -7.890 -2.262 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.519 -9.081 -3.571 1.00 0.00 H new ATOM 845 N SER A 72 -4.789 -4.069 -2.823 1.00 0.00 N ATOM 846 CA SER A 72 -3.660 -3.181 -2.575 1.00 0.00 C ATOM 847 C SER A 72 -4.029 -1.727 -2.844 1.00 0.00 C ATOM 848 O SER A 72 -4.996 -1.440 -3.548 1.00 0.00 O ATOM 849 CB SER A 72 -2.473 -3.584 -3.453 1.00 0.00 C ATOM 850 OG SER A 72 -2.745 -3.338 -4.822 1.00 0.00 O ATOM 0 H SER A 72 -5.290 -3.884 -3.692 1.00 0.00 H new ATOM 0 HA SER A 72 -3.385 -3.274 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.586 -3.027 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.251 -4.641 -3.307 1.00 0.00 H new ATOM 0 HG SER A 72 -1.971 -3.602 -5.362 1.00 0.00 H new ATOM 856 N ILE A 73 -3.244 -0.813 -2.280 1.00 0.00 N ATOM 857 CA ILE A 73 -3.473 0.607 -2.457 1.00 0.00 C ATOM 858 C ILE A 73 -2.280 1.265 -3.146 1.00 0.00 C ATOM 859 O ILE A 73 -1.199 1.372 -2.567 1.00 0.00 O ATOM 860 CB ILE A 73 -3.731 1.297 -1.105 1.00 0.00 C ATOM 861 CG1 ILE A 73 -4.983 0.717 -0.443 1.00 0.00 C ATOM 862 CG2 ILE A 73 -3.868 2.798 -1.291 1.00 0.00 C ATOM 863 CD1 ILE A 73 -4.733 0.178 0.947 1.00 0.00 C ATOM 0 H ILE A 73 -2.440 -1.039 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.356 0.722 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.879 1.111 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.749 1.490 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.378 -0.083 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.050 3.269 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.950 3.197 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.703 3.007 -1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.663 -0.217 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.990 -0.618 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.366 0.980 1.588 1.00 0.00 H new ATOM 875 N ASN A 74 -2.487 1.699 -4.386 1.00 0.00 N ATOM 876 CA ASN A 74 -1.437 2.346 -5.168 1.00 0.00 C ATOM 877 C ASN A 74 -0.115 1.585 -5.077 1.00 0.00 C ATOM 878 O ASN A 74 0.958 2.176 -5.198 1.00 0.00 O ATOM 879 CB ASN A 74 -1.246 3.796 -4.712 1.00 0.00 C ATOM 880 CG ASN A 74 -0.676 3.904 -3.311 1.00 0.00 C ATOM 881 OD1 ASN A 74 0.339 3.286 -2.990 1.00 0.00 O ATOM 882 ND2 ASN A 74 -1.329 4.694 -2.467 1.00 0.00 N ATOM 0 H ASN A 74 -3.379 1.614 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.753 2.340 -6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.582 4.306 -5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -2.205 4.313 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.993 4.807 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.167 5.188 -2.775 1.00 0.00 H new ATOM 889 N GLY A 75 -0.199 0.272 -4.875 1.00 0.00 N ATOM 890 CA GLY A 75 1.002 -0.540 -4.787 1.00 0.00 C ATOM 891 C GLY A 75 1.127 -1.283 -3.469 1.00 0.00 C ATOM 892 O GLY A 75 1.712 -2.364 -3.417 1.00 0.00 O ATOM 0 H GLY A 75 -1.074 -0.242 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.006 -1.261 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.875 0.099 -4.921 1.00 0.00 H new ATOM 896 N THR A 76 0.585 -0.706 -2.401 1.00 0.00 N ATOM 897 CA THR A 76 0.653 -1.330 -1.084 1.00 0.00 C ATOM 898 C THR A 76 -0.371 -2.450 -0.944 1.00 0.00 C ATOM 899 O THR A 76 -1.549 -2.200 -0.689 1.00 0.00 O ATOM 900 CB THR A 76 0.434 -0.294 0.011 1.00 0.00 C ATOM 901 OG1 THR A 76 1.222 0.861 -0.219 1.00 0.00 O ATOM 902 CG2 THR A 76 0.767 -0.811 1.394 1.00 0.00 C ATOM 0 H THR A 76 0.096 0.189 -2.421 1.00 0.00 H new ATOM 0 HA THR A 76 1.649 -1.761 -0.978 1.00 0.00 H new ATOM 0 HB THR A 76 -0.629 -0.055 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.064 1.513 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.590 -0.025 2.129 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.137 -1.670 1.623 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.815 -1.110 1.428 1.00 0.00 H new ATOM 910 N SER A 77 0.087 -3.687 -1.103 1.00 0.00 N ATOM 911 CA SER A 77 -0.788 -4.847 -0.986 1.00 0.00 C ATOM 912 C SER A 77 -0.927 -5.270 0.471 1.00 0.00 C ATOM 913 O SER A 77 0.053 -5.295 1.215 1.00 0.00 O ATOM 914 CB SER A 77 -0.245 -6.009 -1.819 1.00 0.00 C ATOM 915 OG SER A 77 -0.311 -5.719 -3.205 1.00 0.00 O ATOM 0 H SER A 77 1.059 -3.912 -1.313 1.00 0.00 H new ATOM 0 HA SER A 77 -1.773 -4.572 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.788 -6.212 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.817 -6.912 -1.606 1.00 0.00 H new ATOM 0 HG SER A 77 -0.994 -6.282 -3.625 1.00 0.00 H new ATOM 921 N LEU A 78 -2.148 -5.601 0.875 1.00 0.00 N ATOM 922 CA LEU A 78 -2.406 -6.022 2.247 1.00 0.00 C ATOM 923 C LEU A 78 -3.175 -7.337 2.276 1.00 0.00 C ATOM 924 O LEU A 78 -3.871 -7.640 3.246 1.00 0.00 O ATOM 925 CB LEU A 78 -3.185 -4.947 3.007 1.00 0.00 C ATOM 926 CG LEU A 78 -4.138 -4.103 2.156 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.522 -4.061 2.783 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.589 -2.695 1.976 1.00 0.00 C ATOM 0 H LEU A 78 -2.972 -5.586 0.274 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.443 -6.170 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.761 -5.429 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.472 -4.281 3.493 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.222 -4.567 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.184 -3.456 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.919 -5.074 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.457 -3.623 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.280 -2.110 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.473 -2.222 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.620 -2.743 1.479 1.00 0.00 H new ATOM 940 N VAL A 79 -3.045 -8.118 1.211 1.00 0.00 N ATOM 941 CA VAL A 79 -3.726 -9.402 1.125 1.00 0.00 C ATOM 942 C VAL A 79 -3.036 -10.446 1.996 1.00 0.00 C ATOM 943 O VAL A 79 -2.099 -11.112 1.555 1.00 0.00 O ATOM 944 CB VAL A 79 -3.781 -9.915 -0.327 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.662 -11.152 -0.423 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.279 -8.823 -1.260 1.00 0.00 C ATOM 0 H VAL A 79 -2.476 -7.885 0.397 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.743 -9.246 1.484 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.772 -10.191 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.689 -11.500 -1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.257 -11.938 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.672 -10.905 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.311 -9.203 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.279 -8.513 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.604 -7.968 -1.212 1.00 0.00 H new ATOM 956 N GLY A 80 -3.506 -10.590 3.233 1.00 0.00 N ATOM 957 CA GLY A 80 -2.915 -11.558 4.139 1.00 0.00 C ATOM 958 C GLY A 80 -2.594 -10.978 5.506 1.00 0.00 C ATOM 959 O GLY A 80 -2.418 -11.721 6.471 1.00 0.00 O ATOM 0 H GLY A 80 -4.283 -10.055 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.599 -12.398 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.001 -11.952 3.694 1.00 0.00 H new ATOM 963 N LEU A 81 -2.514 -9.652 5.596 1.00 0.00 N ATOM 964 CA LEU A 81 -2.209 -8.996 6.869 1.00 0.00 C ATOM 965 C LEU A 81 -3.486 -8.693 7.652 1.00 0.00 C ATOM 966 O LEU A 81 -4.583 -8.704 7.097 1.00 0.00 O ATOM 967 CB LEU A 81 -1.406 -7.701 6.657 1.00 0.00 C ATOM 968 CG LEU A 81 -1.470 -7.090 5.254 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.087 -5.618 5.297 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.560 -7.853 4.300 1.00 0.00 C ATOM 0 H LEU A 81 -2.654 -9.015 4.812 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.598 -9.689 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.759 -6.957 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.362 -7.902 6.896 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.494 -7.168 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.138 -5.199 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.777 -5.082 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.072 -5.517 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.617 -7.406 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.467 -7.805 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.878 -8.894 4.248 1.00 0.00 H new ATOM 982 N PRO A 82 -3.351 -8.418 8.962 1.00 0.00 N ATOM 983 CA PRO A 82 -4.494 -8.112 9.833 1.00 0.00 C ATOM 984 C PRO A 82 -5.236 -6.852 9.398 1.00 0.00 C ATOM 985 O PRO A 82 -4.876 -6.217 8.407 1.00 0.00 O ATOM 986 CB PRO A 82 -3.855 -7.903 11.210 1.00 0.00 C ATOM 987 CG PRO A 82 -2.425 -7.592 10.925 1.00 0.00 C ATOM 988 CD PRO A 82 -2.077 -8.385 9.701 1.00 0.00 C ATOM 0 HA PRO A 82 -5.240 -8.906 9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.337 -7.088 11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.950 -8.795 11.829 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.282 -6.525 10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.788 -7.869 11.766 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.286 -7.909 9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.729 -9.387 9.953 1.00 0.00 H new ATOM 996 N LEU A 83 -6.276 -6.498 10.145 1.00 0.00 N ATOM 997 CA LEU A 83 -7.074 -5.317 9.839 1.00 0.00 C ATOM 998 C LEU A 83 -6.369 -4.041 10.291 1.00 0.00 C ATOM 999 O LEU A 83 -6.329 -3.053 9.559 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.451 -5.420 10.503 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.246 -4.113 10.563 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.321 -3.466 9.189 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.641 -4.364 11.113 1.00 0.00 C ATOM 0 H LEU A 83 -6.586 -7.014 10.969 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.201 -5.269 8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.042 -6.161 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.320 -5.794 11.519 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.729 -3.427 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.890 -2.539 9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.314 -3.249 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.813 -4.146 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.192 -3.424 11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.165 -5.068 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.567 -4.780 12.118 1.00 0.00 H new ATOM 1015 N SER A 84 -5.818 -4.066 11.502 1.00 0.00 N ATOM 1016 CA SER A 84 -5.121 -2.903 12.046 1.00 0.00 C ATOM 1017 C SER A 84 -4.052 -2.415 11.075 1.00 0.00 C ATOM 1018 O SER A 84 -3.899 -1.212 10.851 1.00 0.00 O ATOM 1019 CB SER A 84 -4.482 -3.249 13.392 1.00 0.00 C ATOM 1020 OG SER A 84 -3.774 -2.141 13.921 1.00 0.00 O ATOM 0 H SER A 84 -5.840 -4.875 12.123 1.00 0.00 H new ATOM 0 HA SER A 84 -5.850 -2.106 12.193 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.254 -3.560 14.095 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.803 -4.093 13.270 1.00 0.00 H new ATOM 0 HG SER A 84 -3.376 -2.388 14.782 1.00 0.00 H new ATOM 1026 N THR A 85 -3.322 -3.356 10.495 1.00 0.00 N ATOM 1027 CA THR A 85 -2.276 -3.025 9.543 1.00 0.00 C ATOM 1028 C THR A 85 -2.865 -2.357 8.305 1.00 0.00 C ATOM 1029 O THR A 85 -2.373 -1.325 7.856 1.00 0.00 O ATOM 1030 CB THR A 85 -1.503 -4.281 9.148 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.877 -4.864 10.279 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.430 -4.029 8.110 1.00 0.00 C ATOM 0 H THR A 85 -3.436 -4.355 10.668 1.00 0.00 H new ATOM 0 HA THR A 85 -1.589 -2.324 10.018 1.00 0.00 H new ATOM 0 HB THR A 85 -2.249 -4.950 8.719 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.456 -5.710 10.020 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.078 -4.965 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.886 -3.629 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.292 -3.311 8.500 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.924 -2.952 7.759 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.579 -2.414 6.569 1.00 0.00 C ATOM 1042 C CYS A 86 -5.013 -0.968 6.780 1.00 0.00 C ATOM 1043 O CYS A 86 -4.611 -0.074 6.030 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.788 -3.273 6.201 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.380 -4.989 5.813 1.00 0.00 S ATOM 0 H CYS A 86 -4.346 -3.807 8.122 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.858 -2.435 5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.497 -3.257 7.029 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.290 -2.827 5.343 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.361 -5.689 6.908 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.835 -0.731 7.803 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.304 0.619 8.095 1.00 0.00 C ATOM 1053 C GLN A 87 -5.122 1.579 8.137 1.00 0.00 C ATOM 1054 O GLN A 87 -5.199 2.702 7.637 1.00 0.00 O ATOM 1055 CB GLN A 87 -7.067 0.658 9.422 1.00 0.00 C ATOM 1056 CG GLN A 87 -6.314 0.023 10.577 1.00 0.00 C ATOM 1057 CD GLN A 87 -7.149 -0.052 11.841 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -6.911 0.681 12.801 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -8.133 -0.943 11.846 1.00 0.00 N ATOM 0 H GLN A 87 -6.185 -1.450 8.436 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.987 0.927 7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.291 1.695 9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.022 0.147 9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.999 -0.981 10.293 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.409 0.597 10.776 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.294 -1.530 11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.728 -1.041 12.668 1.00 0.00 H new ATOM 1068 N SER A 88 -4.019 1.117 8.719 1.00 0.00 N ATOM 1069 CA SER A 88 -2.813 1.920 8.805 1.00 0.00 C ATOM 1070 C SER A 88 -2.289 2.239 7.406 1.00 0.00 C ATOM 1071 O SER A 88 -1.779 3.331 7.150 1.00 0.00 O ATOM 1072 CB SER A 88 -1.739 1.186 9.609 1.00 0.00 C ATOM 1073 OG SER A 88 -0.640 2.037 9.888 1.00 0.00 O ATOM 0 H SER A 88 -3.940 0.190 9.137 1.00 0.00 H new ATOM 0 HA SER A 88 -3.056 2.853 9.314 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.166 0.820 10.543 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.396 0.314 9.052 1.00 0.00 H new ATOM 0 HG SER A 88 0.032 1.545 10.404 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.426 1.271 6.504 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.973 1.426 5.125 1.00 0.00 C ATOM 1081 C ILE A 89 -2.658 2.607 4.445 1.00 0.00 C ATOM 1082 O ILE A 89 -2.002 3.444 3.827 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.252 0.153 4.295 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.646 -1.078 4.983 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.722 0.309 2.876 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.254 -1.437 4.511 1.00 0.00 C ATOM 0 H ILE A 89 -2.850 0.365 6.705 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.899 1.604 5.169 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.330 0.008 4.232 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.617 -0.901 6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.304 -1.932 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.929 -0.598 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.211 1.157 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.646 0.481 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.097 -2.318 5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.276 -1.650 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.421 -0.603 4.701 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.981 2.658 4.549 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.754 3.719 3.931 1.00 0.00 C ATOM 1100 C ILE A 90 -4.527 5.067 4.611 1.00 0.00 C ATOM 1101 O ILE A 90 -4.242 6.060 3.945 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.250 3.377 3.955 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.484 1.992 3.346 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.033 4.432 3.204 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.897 1.481 3.522 1.00 0.00 C ATOM 0 H ILE A 90 -4.539 1.972 5.058 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.413 3.802 2.899 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.596 3.360 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.250 2.029 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.792 1.283 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.094 4.182 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.879 5.403 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.691 4.472 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.987 0.495 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.129 1.411 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.595 2.168 3.043 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.650 5.102 5.933 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.450 6.346 6.670 1.00 0.00 C ATOM 1119 C LYS A 91 -3.053 6.904 6.425 1.00 0.00 C ATOM 1120 O LYS A 91 -2.809 8.098 6.595 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.680 6.137 8.166 1.00 0.00 C ATOM 1122 CG LYS A 91 -3.902 4.971 8.740 1.00 0.00 C ATOM 1123 CD LYS A 91 -2.643 5.433 9.457 1.00 0.00 C ATOM 1124 CE LYS A 91 -2.477 4.735 10.800 1.00 0.00 C ATOM 1125 NZ LYS A 91 -1.846 5.624 11.813 1.00 0.00 N ATOM 0 H LYS A 91 -4.884 4.295 6.511 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.180 7.069 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.402 7.046 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.743 5.976 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.534 4.418 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.633 4.283 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.773 5.233 8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.685 6.512 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.452 4.407 11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.867 3.841 10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.751 5.112 12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.905 5.917 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.441 6.465 11.955 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.143 6.030 6.016 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.781 6.446 5.743 1.00 0.00 C ATOM 1141 C GLY A 92 -0.657 7.204 4.433 1.00 0.00 C ATOM 1142 O GLY A 92 0.205 8.070 4.292 1.00 0.00 O ATOM 0 H GLY A 92 -2.324 5.037 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.426 7.076 6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.135 5.568 5.714 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.520 6.876 3.473 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.499 7.535 2.171 1.00 0.00 C ATOM 1148 C LEU A 93 -2.643 8.533 2.044 1.00 0.00 C ATOM 1149 O LEU A 93 -3.211 8.710 0.965 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.567 6.502 1.044 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.790 5.587 1.078 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -3.699 5.863 -0.112 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.361 4.127 1.096 1.00 0.00 C ATOM 0 H LEU A 93 -2.240 6.160 3.573 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.560 8.082 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.552 7.027 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.669 5.885 1.083 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.349 5.793 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.564 5.201 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.033 6.900 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.151 5.685 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.244 3.489 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.779 3.908 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.752 3.938 1.980 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.975 9.187 3.152 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.049 10.173 3.168 1.00 0.00 C ATOM 1167 C LYS A 94 -3.539 11.567 2.798 1.00 0.00 C ATOM 1168 O LYS A 94 -4.325 12.506 2.668 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.715 10.206 4.547 1.00 0.00 C ATOM 1170 CG LYS A 94 -3.889 10.905 5.614 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.611 12.127 6.160 1.00 0.00 C ATOM 1172 CE LYS A 94 -3.768 12.856 7.193 1.00 0.00 C ATOM 1173 NZ LYS A 94 -3.450 11.990 8.363 1.00 0.00 N ATOM 0 H LYS A 94 -2.515 9.052 4.052 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.784 9.876 2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.679 10.707 4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.914 9.184 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.679 10.210 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.928 11.205 5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.852 12.805 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.556 11.822 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.841 13.196 6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.299 13.745 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.055 12.572 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.318 11.524 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.755 11.269 8.082 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.224 11.703 2.644 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.627 12.991 2.306 1.00 0.00 C ATOM 1189 C ASN A 95 -1.389 13.127 0.804 1.00 0.00 C ATOM 1190 O ASN A 95 -0.408 13.735 0.376 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.311 13.178 3.063 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.490 13.959 4.350 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -0.279 15.171 4.388 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -0.880 13.267 5.415 1.00 0.00 N ATOM 0 H ASN A 95 -1.555 10.940 2.747 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.330 13.769 2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.116 12.201 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.403 13.697 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.016 13.740 6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.044 12.263 5.339 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.295 12.570 0.006 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.177 12.646 -1.449 1.00 0.00 C ATOM 1203 C GLN A 96 -3.489 13.113 -2.074 1.00 0.00 C ATOM 1204 O GLN A 96 -4.510 13.215 -1.393 1.00 0.00 O ATOM 1205 CB GLN A 96 -1.760 11.297 -2.047 1.00 0.00 C ATOM 1206 CG GLN A 96 -2.206 10.085 -1.242 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.225 8.934 -1.347 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -0.142 8.970 -0.761 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -1.600 7.904 -2.096 1.00 0.00 N ATOM 0 H GLN A 96 -3.115 12.063 0.339 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.399 13.375 -1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.169 11.219 -3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.674 11.276 -2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.320 10.368 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.185 9.759 -1.593 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.506 7.917 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.982 7.100 -2.204 1.00 0.00 H new ATOM 1218 N SER A 97 -3.452 13.406 -3.371 1.00 0.00 N ATOM 1219 CA SER A 97 -4.638 13.875 -4.081 1.00 0.00 C ATOM 1220 C SER A 97 -5.319 12.748 -4.858 1.00 0.00 C ATOM 1221 O SER A 97 -6.418 12.923 -5.382 1.00 0.00 O ATOM 1222 CB SER A 97 -4.267 15.015 -5.031 1.00 0.00 C ATOM 1223 OG SER A 97 -5.292 15.239 -5.985 1.00 0.00 O ATOM 0 H SER A 97 -2.616 13.327 -3.950 1.00 0.00 H new ATOM 0 HA SER A 97 -5.345 14.238 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.093 15.927 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.335 14.777 -5.543 1.00 0.00 H new ATOM 0 HG SER A 97 -6.085 14.718 -5.741 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.665 11.594 -4.929 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.219 10.446 -5.641 1.00 0.00 C ATOM 1231 C ARG A 98 -4.958 9.157 -4.871 1.00 0.00 C ATOM 1232 O ARG A 98 -3.884 8.971 -4.300 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.622 10.349 -7.044 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.602 9.832 -8.084 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.483 10.590 -9.396 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.530 12.037 -9.198 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.160 12.925 -10.120 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.715 12.516 -11.302 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -5.234 14.223 -9.860 1.00 0.00 N ATOM 0 H ARG A 98 -3.753 11.428 -4.504 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.296 10.587 -5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.267 11.334 -7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.753 9.691 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.421 8.771 -8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.619 9.923 -7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.547 10.321 -9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.291 10.289 -10.063 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.866 12.388 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.655 11.519 -11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.433 13.199 -12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.574 14.543 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.950 14.902 -10.567 1.00 0.00 H new ATOM 1253 N VAL A 99 -5.949 8.272 -4.851 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.823 7.006 -4.140 1.00 0.00 C ATOM 1255 C VAL A 99 -6.234 5.826 -5.015 1.00 0.00 C ATOM 1256 O VAL A 99 -7.420 5.604 -5.260 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.676 6.999 -2.858 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.333 5.796 -1.994 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.488 8.293 -2.082 1.00 0.00 C ATOM 0 H VAL A 99 -6.846 8.408 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.771 6.901 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.725 6.924 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.946 5.809 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.527 4.880 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.280 5.836 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.099 8.268 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.439 8.403 -1.807 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.791 9.137 -2.702 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.244 5.063 -5.474 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.498 3.899 -6.312 1.00 0.00 C ATOM 1271 C LYS A 100 -5.728 2.661 -5.453 1.00 0.00 C ATOM 1272 O LYS A 100 -4.960 2.386 -4.531 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.317 3.664 -7.254 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.729 3.174 -8.629 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.673 3.492 -9.676 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.293 3.701 -11.047 1.00 0.00 C ATOM 1277 NZ LYS A 100 -3.289 3.564 -12.139 1.00 0.00 N ATOM 0 H LYS A 100 -4.258 5.233 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.395 4.087 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.757 4.593 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.643 2.935 -6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.898 2.098 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.674 3.637 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.126 4.388 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.949 2.678 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.094 2.977 -11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.746 4.691 -11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.753 3.714 -13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.538 4.272 -12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.874 2.611 -12.112 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.789 1.918 -5.752 1.00 0.00 N ATOM 1292 CA LEU A 101 -7.105 0.712 -4.991 1.00 0.00 C ATOM 1293 C LEU A 101 -7.634 -0.388 -5.890 1.00 0.00 C ATOM 1294 O LEU A 101 -8.692 -0.255 -6.495 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.146 0.993 -3.906 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.246 2.443 -3.445 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.699 2.898 -3.427 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.610 2.596 -2.072 1.00 0.00 C ATOM 0 H LEU A 101 -7.440 2.126 -6.509 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.174 0.387 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.123 0.680 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.919 0.371 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.706 3.077 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.751 3.935 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.118 2.816 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.269 2.269 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.685 3.635 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.128 1.956 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.560 2.307 -2.123 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.914 -1.490 -5.942 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.341 -2.630 -6.739 1.00 0.00 C ATOM 1312 C ASN A 102 -8.218 -3.536 -5.892 1.00 0.00 C ATOM 1313 O ASN A 102 -7.728 -4.432 -5.207 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.138 -3.400 -7.288 1.00 0.00 C ATOM 1315 CG ASN A 102 -6.303 -3.744 -8.755 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -6.003 -4.860 -9.181 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.786 -2.784 -9.538 1.00 0.00 N ATOM 0 H ASN A 102 -6.033 -1.624 -5.445 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.915 -2.269 -7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.235 -2.804 -7.155 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.002 -4.317 -6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.921 -2.958 -10.534 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.021 -1.874 -9.143 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.518 -3.268 -5.916 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.465 -4.035 -5.118 1.00 0.00 C ATOM 1326 C ILE A 103 -11.383 -4.888 -5.988 1.00 0.00 C ATOM 1327 O ILE A 103 -11.465 -4.698 -7.201 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.304 -3.099 -4.209 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.565 -2.590 -4.912 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.464 -1.915 -3.751 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.601 -2.068 -3.946 1.00 0.00 C ATOM 0 H ILE A 103 -9.939 -2.528 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.883 -4.709 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.616 -3.687 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.292 -1.798 -5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.998 -3.398 -5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.066 -1.267 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.602 -2.276 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.122 -1.353 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.473 -1.721 -4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.898 -2.866 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.181 -1.240 -3.374 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.077 -5.825 -5.350 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.998 -6.707 -6.050 1.00 0.00 C ATOM 1345 C VAL A 104 -14.443 -6.363 -5.700 1.00 0.00 C ATOM 1346 O VAL A 104 -14.825 -6.363 -4.528 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.718 -8.190 -5.722 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.204 -8.548 -4.325 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -13.356 -9.097 -6.763 1.00 0.00 C ATOM 0 H VAL A 104 -12.017 -5.992 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.845 -6.558 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.639 -8.341 -5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.993 -9.598 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.690 -7.928 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.278 -8.375 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.148 -10.138 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.434 -8.935 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.944 -8.869 -7.746 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.239 -6.060 -6.720 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.638 -5.705 -6.520 1.00 0.00 C ATOM 1361 C ARG A 105 -17.540 -6.927 -6.648 1.00 0.00 C ATOM 1362 O ARG A 105 -17.176 -7.917 -7.280 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.061 -4.635 -7.529 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.849 -3.495 -6.908 1.00 0.00 C ATOM 1365 CD ARG A 105 -17.915 -2.293 -7.835 1.00 0.00 C ATOM 1366 NE ARG A 105 -18.356 -2.660 -9.177 1.00 0.00 N ATOM 1367 CZ ARG A 105 -19.627 -2.902 -9.500 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -20.580 -2.817 -8.582 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -19.942 -3.229 -10.746 1.00 0.00 N ATOM 0 H ARG A 105 -14.938 -6.053 -7.695 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.743 -5.308 -5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.172 -4.231 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.664 -5.100 -8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -18.859 -3.833 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.387 -3.203 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.598 -1.552 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -16.932 -1.825 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 105 -17.651 -2.736 -9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.343 -2.565 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -21.550 -3.003 -8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -19.213 -3.295 -11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -20.914 -3.414 -10.994 1.00 0.00 H new TER 1383 ARG A 105 ATOM 1384 N PRO B -3 -16.382 1.887 13.953 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.116 1.348 13.452 1.00 0.00 C ATOM 1386 C PRO B -3 -14.201 2.435 12.898 1.00 0.00 C ATOM 1387 O PRO B -3 -14.650 3.539 12.587 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.564 0.407 12.337 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.815 1.024 11.813 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.486 1.678 12.993 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.277 2.884 14.139 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.614 1.441 14.841 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.534 0.864 14.236 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.806 0.324 11.559 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.745 -0.599 12.715 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.593 1.756 11.036 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.463 0.271 11.365 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -17.958 2.620 12.714 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.266 1.043 13.412 1.00 0.00 H new ATOM 1398 N VAL B -2 -12.916 2.117 12.776 1.00 0.00 N ATOM 1399 CA VAL B -2 -11.940 3.069 12.257 1.00 0.00 C ATOM 1400 C VAL B -2 -12.325 3.535 10.857 1.00 0.00 C ATOM 1401 O VAL B -2 -12.835 2.756 10.051 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.525 2.461 12.213 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -9.930 2.393 13.610 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.556 1.083 11.570 1.00 0.00 C ATOM 0 H VAL B -2 -12.527 1.209 13.029 1.00 0.00 H new ATOM 0 HA VAL B -2 -11.936 3.921 12.936 1.00 0.00 H new ATOM 0 HB VAL B -2 -9.891 3.106 11.605 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -8.931 1.961 13.559 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.870 3.397 14.029 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.562 1.772 14.245 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.548 0.669 11.548 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -11.205 0.426 12.149 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.937 1.165 10.552 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.082 4.811 10.574 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.411 5.379 9.270 1.00 0.00 C ATOM 1416 C TYR B -1 -11.163 5.909 8.571 1.00 0.00 C ATOM 1417 O TYR B -1 -10.526 6.852 9.041 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.442 6.500 9.427 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.814 6.137 8.908 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.042 5.966 7.549 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.883 5.963 9.778 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.295 5.636 7.071 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.140 5.631 9.308 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.341 5.469 7.953 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.590 5.139 7.482 1.00 0.00 O ATOM 0 H TYR B -1 -11.660 5.470 11.228 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.836 4.587 8.653 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.520 6.765 10.481 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.086 7.386 8.901 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.225 6.093 6.854 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.729 6.089 10.840 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.455 5.509 6.010 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.960 5.499 9.998 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.213 5.058 8.235 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.826 5.298 7.440 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.661 5.709 6.663 1.00 0.00 C ATOM 1437 C ILE B 0 -10.062 6.659 5.545 1.00 0.00 C ATOM 1438 O ILE B 0 -11.226 7.115 5.548 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.922 4.495 6.062 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.838 3.709 5.122 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.401 3.594 7.172 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.054 4.372 3.778 1.00 0.00 C ATOM 1443 OXT ILE B 0 -9.214 6.937 4.672 1.00 0.00 O ATOM 0 H ILE B 0 -11.344 4.515 7.040 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.986 6.222 7.348 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.076 4.862 5.481 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.414 2.718 4.963 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.804 3.568 5.606 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.882 2.741 6.735 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.711 4.155 7.802 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.237 3.239 7.775 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.714 3.754 3.169 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.508 5.352 3.925 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.096 4.488 3.271 1.00 0.00 H new TER 1455 ILE B 0