USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1010 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 103 GLN : amide:sc= -2.82 K(o=-10,f=-17!) USER MOD Set 1.2: A 104 GLN : amide:sc= -7.57! C(o=-10!,f=-13!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0.86 USER MOD Set 2.2: A 64 THR OG1 : rot -72:sc= 0.982 USER MOD Single : A 1 SER N :NH3+ 135:sc= 0.166 (180deg=0.00298) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0904 USER MOD Single : A 8 SER OG : rot 150:sc= -0.95 USER MOD Single : A 13 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 14 ASN : amide:sc= -1.69 K(o=-1.7,f=-14!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.118 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0.191 (180deg=0.156) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -17:sc= 0.77 USER MOD Single : A 39 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.28) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -132:sc= -5.29! (180deg=-6.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0933 X(o=-0.093,f=-0.22) USER MOD Single : A 63 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.34) USER MOD Single : A 67 TYR OH : rot 39:sc= 0.368 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.634 USER MOD Single : A 84 ASN :FLIP amide:sc= -4.26 F(o=-5.1,f=-4.3) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000719) USER MOD Single : A 92 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.13) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 91:sc= 0.0742 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 95:sc= 0.639 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -177:sc= -0.0339 (180deg=-0.0523) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.234 4.408 -16.318 1.00 0.00 N ATOM 2 CA SER A 1 8.056 4.372 -15.413 1.00 0.00 C ATOM 3 C SER A 1 8.468 4.600 -13.962 1.00 0.00 C ATOM 4 O SER A 1 9.587 5.033 -13.685 1.00 0.00 O ATOM 5 CB SER A 1 7.371 3.012 -15.559 1.00 0.00 C ATOM 6 OG SER A 1 7.267 2.636 -16.922 1.00 0.00 O ATOM 0 H1 SER A 1 9.180 3.616 -16.990 1.00 0.00 H new ATOM 0 H2 SER A 1 9.242 5.306 -16.842 1.00 0.00 H new ATOM 0 H3 SER A 1 10.106 4.327 -15.757 1.00 0.00 H new ATOM 0 HA SER A 1 7.368 5.172 -15.689 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.935 2.257 -15.012 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.377 3.052 -15.113 1.00 0.00 H new ATOM 0 HG SER A 1 6.827 1.763 -16.988 1.00 0.00 H new ATOM 14 N ARG A 2 7.558 4.306 -13.041 1.00 0.00 N ATOM 15 CA ARG A 2 7.825 4.478 -11.618 1.00 0.00 C ATOM 16 C ARG A 2 7.252 3.315 -10.815 1.00 0.00 C ATOM 17 O ARG A 2 6.728 2.357 -11.384 1.00 0.00 O ATOM 18 CB ARG A 2 7.236 5.802 -11.121 1.00 0.00 C ATOM 19 CG ARG A 2 5.745 5.948 -11.386 1.00 0.00 C ATOM 20 CD ARG A 2 5.473 6.457 -12.793 1.00 0.00 C ATOM 21 NE ARG A 2 6.265 7.644 -13.109 1.00 0.00 N ATOM 22 CZ ARG A 2 6.464 8.093 -14.345 1.00 0.00 C ATOM 23 NH1 ARG A 2 5.934 7.458 -15.384 1.00 0.00 N ATOM 24 NH2 ARG A 2 7.196 9.181 -14.545 1.00 0.00 N ATOM 0 H ARG A 2 6.627 3.947 -13.254 1.00 0.00 H new ATOM 0 HA ARG A 2 8.905 4.497 -11.475 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.415 5.889 -10.049 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.763 6.626 -11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.254 4.985 -11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.312 6.636 -10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.697 5.670 -13.513 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.413 6.691 -12.895 1.00 0.00 H new ATOM 0 HE ARG A 2 6.690 8.158 -12.337 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.370 6.621 -15.237 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.090 7.808 -16.329 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.606 9.673 -13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.349 9.526 -15.493 1.00 0.00 H new ATOM 38 N LEU A 3 7.353 3.404 -9.490 1.00 0.00 N ATOM 39 CA LEU A 3 6.841 2.357 -8.610 1.00 0.00 C ATOM 40 C LEU A 3 5.430 1.955 -9.017 1.00 0.00 C ATOM 41 O LEU A 3 4.489 2.736 -8.881 1.00 0.00 O ATOM 42 CB LEU A 3 6.841 2.842 -7.160 1.00 0.00 C ATOM 43 CG LEU A 3 7.025 1.750 -6.106 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.382 1.080 -6.260 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.868 2.332 -4.708 1.00 0.00 C ATOM 0 H LEU A 3 7.784 4.190 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 3 7.492 1.487 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.637 3.577 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.900 3.356 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 3 6.254 0.994 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.494 0.306 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.456 0.630 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.170 1.823 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.002 1.543 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.617 3.108 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.872 2.763 -4.603 1.00 0.00 H new ATOM 57 N GLU A 4 5.286 0.740 -9.529 1.00 0.00 N ATOM 58 CA GLU A 4 3.986 0.252 -9.960 1.00 0.00 C ATOM 59 C GLU A 4 3.933 -1.270 -9.947 1.00 0.00 C ATOM 60 O GLU A 4 4.965 -1.941 -9.929 1.00 0.00 O ATOM 61 CB GLU A 4 3.671 0.773 -11.364 1.00 0.00 C ATOM 62 CG GLU A 4 4.553 0.175 -12.449 1.00 0.00 C ATOM 63 CD GLU A 4 4.149 0.621 -13.841 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.469 1.662 -13.956 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.515 -0.069 -14.815 1.00 0.00 O ATOM 0 H GLU A 4 6.051 0.077 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 4 3.238 0.622 -9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.628 0.558 -11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.783 1.857 -11.373 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.589 0.459 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.506 -0.912 -12.392 1.00 0.00 H new ATOM 72 N GLY A 5 2.719 -1.803 -9.956 1.00 0.00 N ATOM 73 CA GLY A 5 2.532 -3.239 -9.947 1.00 0.00 C ATOM 74 C GLY A 5 1.239 -3.628 -9.269 1.00 0.00 C ATOM 75 O GLY A 5 0.287 -2.850 -9.252 1.00 0.00 O ATOM 0 H GLY A 5 1.855 -1.261 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.533 -3.613 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.369 -3.712 -9.434 1.00 0.00 H new ATOM 79 N TRP A 6 1.200 -4.825 -8.701 1.00 0.00 N ATOM 80 CA TRP A 6 0.004 -5.290 -8.015 1.00 0.00 C ATOM 81 C TRP A 6 0.302 -5.605 -6.559 1.00 0.00 C ATOM 82 O TRP A 6 1.177 -6.415 -6.253 1.00 0.00 O ATOM 83 CB TRP A 6 -0.573 -6.524 -8.701 1.00 0.00 C ATOM 84 CG TRP A 6 -0.783 -6.323 -10.161 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.170 -6.379 -11.123 1.00 0.00 C ATOM 86 CD2 TRP A 6 -2.015 -6.022 -10.825 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.381 -6.120 -12.350 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.725 -5.903 -12.195 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.333 -5.840 -10.395 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.705 -5.611 -13.142 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.305 -5.552 -11.334 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.987 -5.440 -12.694 1.00 0.00 C ATOM 0 H TRP A 6 1.976 -5.487 -8.701 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.733 -4.488 -8.058 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.099 -7.368 -8.547 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.523 -6.784 -8.234 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.213 -6.596 -10.947 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.126 -6.093 -13.235 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.587 -5.923 -9.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.462 -5.523 -14.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.327 -5.411 -11.014 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.769 -5.214 -13.403 1.00 0.00 H new ATOM 103 N LEU A 7 -0.447 -4.977 -5.668 1.00 0.00 N ATOM 104 CA LEU A 7 -0.283 -5.205 -4.244 1.00 0.00 C ATOM 105 C LEU A 7 -1.585 -5.726 -3.674 1.00 0.00 C ATOM 106 O LEU A 7 -2.661 -5.388 -4.159 1.00 0.00 O ATOM 107 CB LEU A 7 0.142 -3.930 -3.530 1.00 0.00 C ATOM 108 CG LEU A 7 1.518 -3.395 -3.930 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.650 -1.934 -3.546 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.617 -4.221 -3.281 1.00 0.00 C ATOM 0 H LEU A 7 -1.176 -4.304 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 7 0.504 -5.943 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.602 -3.157 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.138 -4.114 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 7 1.621 -3.476 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.635 -1.569 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.882 -1.353 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.529 -1.829 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.590 -3.828 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.518 -4.170 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.532 -5.258 -3.605 1.00 0.00 H new ATOM 122 N SER A 8 -1.483 -6.572 -2.670 1.00 0.00 N ATOM 123 CA SER A 8 -2.665 -7.178 -2.071 1.00 0.00 C ATOM 124 C SER A 8 -3.213 -6.350 -0.916 1.00 0.00 C ATOM 125 O SER A 8 -2.463 -5.718 -0.173 1.00 0.00 O ATOM 126 CB SER A 8 -2.343 -8.595 -1.593 1.00 0.00 C ATOM 127 OG SER A 8 -2.780 -9.561 -2.533 1.00 0.00 O ATOM 0 H SER A 8 -0.599 -6.858 -2.249 1.00 0.00 H new ATOM 0 HA SER A 8 -3.437 -7.217 -2.840 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.269 -8.694 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.823 -8.776 -0.631 1.00 0.00 H new ATOM 0 HG SER A 8 -2.195 -10.346 -2.491 1.00 0.00 H new ATOM 133 N LEU A 9 -4.534 -6.369 -0.778 1.00 0.00 N ATOM 134 CA LEU A 9 -5.211 -5.630 0.278 1.00 0.00 C ATOM 135 C LEU A 9 -6.256 -6.511 0.961 1.00 0.00 C ATOM 136 O LEU A 9 -6.767 -7.456 0.360 1.00 0.00 O ATOM 137 CB LEU A 9 -5.882 -4.381 -0.298 1.00 0.00 C ATOM 138 CG LEU A 9 -4.942 -3.416 -1.020 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.835 -3.776 -2.494 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.421 -1.981 -0.854 1.00 0.00 C ATOM 0 H LEU A 9 -5.160 -6.893 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.469 -5.327 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.661 -4.694 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.375 -3.845 0.513 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.951 -3.502 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.162 -3.078 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.446 -4.789 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.821 -3.719 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.740 -1.308 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.422 -1.881 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.445 -1.726 0.205 1.00 0.00 H new ATOM 152 N PRO A 10 -6.591 -6.212 2.227 1.00 0.00 N ATOM 153 CA PRO A 10 -7.583 -6.985 2.982 1.00 0.00 C ATOM 154 C PRO A 10 -8.949 -6.980 2.304 1.00 0.00 C ATOM 155 O PRO A 10 -9.610 -5.944 2.223 1.00 0.00 O ATOM 156 CB PRO A 10 -7.652 -6.272 4.339 1.00 0.00 C ATOM 157 CG PRO A 10 -7.058 -4.924 4.106 1.00 0.00 C ATOM 158 CD PRO A 10 -6.037 -5.103 3.020 1.00 0.00 C ATOM 0 HA PRO A 10 -7.304 -8.036 3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.681 -6.193 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.097 -6.820 5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.823 -4.207 3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.597 -4.539 5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.920 -4.199 2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.055 -5.347 3.425 1.00 0.00 H new ATOM 166 N VAL A 11 -9.366 -8.145 1.814 1.00 0.00 N ATOM 167 CA VAL A 11 -10.652 -8.272 1.137 1.00 0.00 C ATOM 168 C VAL A 11 -11.531 -9.324 1.808 1.00 0.00 C ATOM 169 O VAL A 11 -11.229 -10.517 1.768 1.00 0.00 O ATOM 170 CB VAL A 11 -10.465 -8.641 -0.347 1.00 0.00 C ATOM 171 CG1 VAL A 11 -9.783 -9.994 -0.487 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.801 -8.629 -1.075 1.00 0.00 C ATOM 0 H VAL A 11 -8.833 -9.012 1.873 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.144 -7.302 1.206 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.821 -7.891 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.662 -10.233 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.804 -9.959 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.394 -10.760 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.647 -8.892 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.473 -9.353 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.241 -7.634 -1.012 1.00 0.00 H new ATOM 182 N ARG A 12 -12.623 -8.873 2.417 1.00 0.00 N ATOM 183 CA ARG A 12 -13.549 -9.774 3.091 1.00 0.00 C ATOM 184 C ARG A 12 -14.167 -10.754 2.099 1.00 0.00 C ATOM 185 O ARG A 12 -15.035 -10.386 1.307 1.00 0.00 O ATOM 186 CB ARG A 12 -14.650 -8.977 3.794 1.00 0.00 C ATOM 187 CG ARG A 12 -14.122 -7.887 4.712 1.00 0.00 C ATOM 188 CD ARG A 12 -15.250 -7.027 5.259 1.00 0.00 C ATOM 189 NE ARG A 12 -15.002 -6.612 6.639 1.00 0.00 N ATOM 190 CZ ARG A 12 -15.624 -5.593 7.229 1.00 0.00 C ATOM 191 NH1 ARG A 12 -16.532 -4.887 6.567 1.00 0.00 N ATOM 192 NH2 ARG A 12 -15.337 -5.281 8.485 1.00 0.00 N ATOM 0 H ARG A 12 -12.888 -7.889 2.457 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.991 -10.341 3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.296 -8.525 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.268 -9.662 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.574 -8.339 5.538 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.416 -7.260 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.370 -6.144 4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.186 -7.583 5.210 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.313 -7.133 7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.757 -5.124 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.005 -4.108 7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.640 -5.821 8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.813 -4.501 8.938 1.00 0.00 H new ATOM 206 N ASN A 13 -13.713 -12.002 2.146 1.00 0.00 N ATOM 207 CA ASN A 13 -14.220 -13.034 1.248 1.00 0.00 C ATOM 208 C ASN A 13 -15.623 -13.476 1.655 1.00 0.00 C ATOM 209 O ASN A 13 -16.469 -13.746 0.803 1.00 0.00 O ATOM 210 CB ASN A 13 -13.278 -14.239 1.239 1.00 0.00 C ATOM 211 CG ASN A 13 -12.064 -14.015 0.358 1.00 0.00 C ATOM 212 OD1 ASN A 13 -11.935 -14.620 -0.706 1.00 0.00 O ATOM 213 ND2 ASN A 13 -11.164 -13.143 0.800 1.00 0.00 N ATOM 0 H ASN A 13 -12.995 -12.323 2.796 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.271 -12.610 0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.951 -14.449 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.820 -15.118 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.326 -12.953 0.251 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.312 -12.664 1.688 1.00 0.00 H new ATOM 220 N ASN A 14 -15.863 -13.550 2.960 1.00 0.00 N ATOM 221 CA ASN A 14 -17.164 -13.963 3.472 1.00 0.00 C ATOM 222 C ASN A 14 -17.971 -12.761 3.955 1.00 0.00 C ATOM 223 O ASN A 14 -19.102 -12.548 3.518 1.00 0.00 O ATOM 224 CB ASN A 14 -16.995 -14.971 4.613 1.00 0.00 C ATOM 225 CG ASN A 14 -15.921 -14.562 5.601 1.00 0.00 C ATOM 226 OD1 ASN A 14 -14.797 -14.241 5.217 1.00 0.00 O ATOM 227 ND2 ASN A 14 -16.262 -14.572 6.885 1.00 0.00 N ATOM 0 H ASN A 14 -15.175 -13.330 3.680 1.00 0.00 H new ATOM 0 HA ASN A 14 -17.709 -14.437 2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -17.944 -15.081 5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -16.747 -15.947 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.580 -14.307 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.206 -14.845 7.160 1.00 0.00 H new ATOM 234 N THR A 15 -17.385 -11.979 4.857 1.00 0.00 N ATOM 235 CA THR A 15 -18.056 -10.798 5.395 1.00 0.00 C ATOM 236 C THR A 15 -17.229 -10.157 6.507 1.00 0.00 C ATOM 237 O THR A 15 -17.227 -8.937 6.665 1.00 0.00 O ATOM 238 CB THR A 15 -19.444 -11.165 5.926 1.00 0.00 C ATOM 239 OG1 THR A 15 -19.962 -10.125 6.737 1.00 0.00 O ATOM 240 CG2 THR A 15 -19.455 -12.436 6.749 1.00 0.00 C ATOM 0 H THR A 15 -16.450 -12.140 5.230 1.00 0.00 H new ATOM 0 HA THR A 15 -18.164 -10.077 4.584 1.00 0.00 H new ATOM 0 HB THR A 15 -20.059 -11.320 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.850 -10.378 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.469 -12.637 7.094 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.108 -13.269 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.796 -12.318 7.609 1.00 0.00 H new ATOM 248 N LYS A 16 -16.531 -10.986 7.276 1.00 0.00 N ATOM 249 CA LYS A 16 -15.704 -10.495 8.374 1.00 0.00 C ATOM 250 C LYS A 16 -14.222 -10.720 8.088 1.00 0.00 C ATOM 251 O LYS A 16 -13.396 -9.835 8.311 1.00 0.00 O ATOM 252 CB LYS A 16 -16.086 -11.170 9.692 1.00 0.00 C ATOM 253 CG LYS A 16 -16.688 -12.554 9.530 1.00 0.00 C ATOM 254 CD LYS A 16 -17.363 -13.011 10.807 1.00 0.00 C ATOM 255 CE LYS A 16 -18.690 -13.693 10.523 1.00 0.00 C ATOM 256 NZ LYS A 16 -18.913 -14.868 11.411 1.00 0.00 N ATOM 0 H LYS A 16 -16.521 -11.999 7.160 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.883 -9.424 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.198 -11.243 10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.798 -10.535 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -17.413 -12.545 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.907 -13.263 9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.707 -13.698 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.526 -12.154 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.502 -12.978 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.717 -14.015 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -19.829 -15.305 11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -18.153 -15.563 11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.913 -14.558 12.404 1.00 0.00 H new ATOM 270 N LYS A 17 -13.893 -11.909 7.594 1.00 0.00 N ATOM 271 CA LYS A 17 -12.510 -12.252 7.279 1.00 0.00 C ATOM 272 C LYS A 17 -11.918 -11.270 6.271 1.00 0.00 C ATOM 273 O LYS A 17 -12.492 -10.213 6.009 1.00 0.00 O ATOM 274 CB LYS A 17 -12.431 -13.679 6.732 1.00 0.00 C ATOM 275 CG LYS A 17 -11.307 -14.502 7.340 1.00 0.00 C ATOM 276 CD LYS A 17 -11.071 -15.784 6.556 1.00 0.00 C ATOM 277 CE LYS A 17 -10.094 -15.564 5.412 1.00 0.00 C ATOM 278 NZ LYS A 17 -10.478 -16.336 4.199 1.00 0.00 N ATOM 0 H LYS A 17 -14.565 -12.652 7.403 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.927 -12.190 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.380 -14.183 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.296 -13.638 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.391 -13.912 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.551 -14.746 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.684 -16.554 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.019 -16.150 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.053 -14.502 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.093 -15.858 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.787 -16.159 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.493 -17.351 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.423 -16.038 3.882 1.00 0.00 H new ATOM 292 N PHE A 18 -10.768 -11.627 5.710 1.00 0.00 N ATOM 293 CA PHE A 18 -10.098 -10.778 4.731 1.00 0.00 C ATOM 294 C PHE A 18 -8.845 -11.459 4.188 1.00 0.00 C ATOM 295 O PHE A 18 -7.837 -11.573 4.885 1.00 0.00 O ATOM 296 CB PHE A 18 -9.728 -9.432 5.358 1.00 0.00 C ATOM 297 CG PHE A 18 -9.072 -9.555 6.704 1.00 0.00 C ATOM 298 CD1 PHE A 18 -9.835 -9.602 7.859 1.00 0.00 C ATOM 299 CD2 PHE A 18 -7.692 -9.622 6.812 1.00 0.00 C ATOM 300 CE1 PHE A 18 -9.234 -9.714 9.098 1.00 0.00 C ATOM 301 CE2 PHE A 18 -7.086 -9.734 8.049 1.00 0.00 C ATOM 302 CZ PHE A 18 -7.858 -9.780 9.193 1.00 0.00 C ATOM 0 H PHE A 18 -10.280 -12.499 5.916 1.00 0.00 H new ATOM 0 HA PHE A 18 -10.787 -10.608 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.058 -8.899 4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.629 -8.827 5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.912 -9.551 7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.084 -9.586 5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.840 -9.750 9.991 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.010 -9.786 8.121 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.386 -9.867 10.161 1.00 0.00 H new ATOM 312 N GLY A 19 -8.915 -11.905 2.938 1.00 0.00 N ATOM 313 CA GLY A 19 -7.779 -12.564 2.323 1.00 0.00 C ATOM 314 C GLY A 19 -6.819 -11.574 1.699 1.00 0.00 C ATOM 315 O GLY A 19 -6.287 -10.701 2.385 1.00 0.00 O ATOM 0 H GLY A 19 -9.738 -11.822 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.253 -13.155 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.132 -13.258 1.560 1.00 0.00 H new ATOM 319 N TRP A 20 -6.599 -11.701 0.395 1.00 0.00 N ATOM 320 CA TRP A 20 -5.700 -10.798 -0.311 1.00 0.00 C ATOM 321 C TRP A 20 -6.084 -10.672 -1.779 1.00 0.00 C ATOM 322 O TRP A 20 -6.331 -11.667 -2.460 1.00 0.00 O ATOM 323 CB TRP A 20 -4.253 -11.276 -0.200 1.00 0.00 C ATOM 324 CG TRP A 20 -3.742 -11.314 1.209 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.304 -12.410 1.894 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.613 -10.202 2.102 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.910 -12.048 3.160 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.092 -10.699 3.313 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.887 -8.836 1.997 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.840 -9.876 4.407 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.637 -8.021 3.085 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.118 -8.543 4.276 1.00 0.00 C ATOM 0 H TRP A 20 -7.029 -12.417 -0.191 1.00 0.00 H new ATOM 0 HA TRP A 20 -5.790 -9.818 0.158 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.174 -12.273 -0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.615 -10.619 -0.792 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.272 -13.415 1.499 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.542 -12.681 3.870 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.287 -8.424 1.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.439 -10.276 5.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.846 -6.964 3.015 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.933 -7.880 5.108 1.00 0.00 H new ATOM 343 N VAL A 21 -6.114 -9.436 -2.260 1.00 0.00 N ATOM 344 CA VAL A 21 -6.447 -9.154 -3.651 1.00 0.00 C ATOM 345 C VAL A 21 -5.476 -8.124 -4.212 1.00 0.00 C ATOM 346 O VAL A 21 -5.502 -6.960 -3.814 1.00 0.00 O ATOM 347 CB VAL A 21 -7.890 -8.628 -3.791 1.00 0.00 C ATOM 348 CG1 VAL A 21 -8.077 -7.354 -2.981 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.237 -8.396 -5.254 1.00 0.00 C ATOM 0 H VAL A 21 -5.910 -8.606 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.368 -10.086 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.570 -9.383 -3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.101 -6.999 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.877 -7.559 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.387 -6.590 -3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.259 -8.025 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.552 -7.662 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.149 -9.334 -5.802 1.00 0.00 H new ATOM 359 N LYS A 22 -4.600 -8.553 -5.116 1.00 0.00 N ATOM 360 CA LYS A 22 -3.618 -7.650 -5.682 1.00 0.00 C ATOM 361 C LYS A 22 -4.246 -6.658 -6.657 1.00 0.00 C ATOM 362 O LYS A 22 -4.667 -7.022 -7.754 1.00 0.00 O ATOM 363 CB LYS A 22 -2.502 -8.434 -6.369 1.00 0.00 C ATOM 364 CG LYS A 22 -2.928 -9.093 -7.666 1.00 0.00 C ATOM 365 CD LYS A 22 -1.851 -10.015 -8.195 1.00 0.00 C ATOM 366 CE LYS A 22 -1.452 -9.621 -9.603 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.884 -10.765 -10.367 1.00 0.00 N ATOM 0 H LYS A 22 -4.554 -9.510 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.195 -7.076 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.669 -7.761 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.135 -9.200 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.846 -9.658 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.151 -8.327 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.980 -9.977 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.211 -11.044 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.323 -9.231 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.719 -8.816 -9.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.625 -10.449 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.038 -11.122 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.592 -11.524 -10.433 1.00 0.00 H new ATOM 381 N LYS A 23 -4.276 -5.395 -6.254 1.00 0.00 N ATOM 382 CA LYS A 23 -4.811 -4.335 -7.094 1.00 0.00 C ATOM 383 C LYS A 23 -3.652 -3.577 -7.721 1.00 0.00 C ATOM 384 O LYS A 23 -2.575 -3.490 -7.131 1.00 0.00 O ATOM 385 CB LYS A 23 -5.688 -3.384 -6.281 1.00 0.00 C ATOM 386 CG LYS A 23 -6.906 -4.053 -5.667 1.00 0.00 C ATOM 387 CD LYS A 23 -8.059 -4.124 -6.656 1.00 0.00 C ATOM 388 CE LYS A 23 -8.874 -5.395 -6.477 1.00 0.00 C ATOM 389 NZ LYS A 23 -8.815 -6.266 -7.683 1.00 0.00 N ATOM 0 H LYS A 23 -3.934 -5.080 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.433 -4.774 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.088 -2.941 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.018 -2.568 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.644 -5.059 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.218 -3.500 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.705 -3.256 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.670 -4.081 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.503 -5.946 -5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.912 -5.135 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.383 -7.122 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.193 -5.750 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.828 -6.536 -7.869 1.00 0.00 H new ATOM 403 N TYR A 24 -3.856 -3.047 -8.915 1.00 0.00 N ATOM 404 CA TYR A 24 -2.792 -2.324 -9.593 1.00 0.00 C ATOM 405 C TYR A 24 -2.503 -0.990 -8.918 1.00 0.00 C ATOM 406 O TYR A 24 -3.257 -0.029 -9.061 1.00 0.00 O ATOM 407 CB TYR A 24 -3.124 -2.106 -11.067 1.00 0.00 C ATOM 408 CG TYR A 24 -1.896 -2.092 -11.949 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.892 -3.040 -11.784 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.733 -1.129 -12.934 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.237 -3.029 -12.578 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.605 -1.111 -13.733 1.00 0.00 C ATOM 413 CZ TYR A 24 0.377 -2.063 -13.551 1.00 0.00 C ATOM 414 OH TYR A 24 1.500 -2.047 -14.344 1.00 0.00 O ATOM 0 H TYR A 24 -4.735 -3.102 -9.430 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.895 -2.940 -9.527 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.798 -2.894 -11.403 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.657 -1.162 -11.179 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.997 -3.798 -11.022 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.499 -0.382 -13.079 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.007 -3.773 -12.438 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.493 -0.355 -14.496 1.00 0.00 H new ATOM 0 HH TYR A 24 1.441 -1.303 -14.979 1.00 0.00 H new ATOM 424 N VAL A 25 -1.393 -0.945 -8.191 1.00 0.00 N ATOM 425 CA VAL A 25 -0.976 0.265 -7.498 1.00 0.00 C ATOM 426 C VAL A 25 0.198 0.911 -8.220 1.00 0.00 C ATOM 427 O VAL A 25 1.142 0.229 -8.618 1.00 0.00 O ATOM 428 CB VAL A 25 -0.562 -0.027 -6.042 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.389 1.268 -5.264 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.578 -0.934 -5.365 1.00 0.00 C ATOM 0 H VAL A 25 -0.763 -1.738 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.831 0.942 -7.491 1.00 0.00 H new ATOM 0 HB VAL A 25 0.397 -0.545 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.097 1.040 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.384 1.875 -5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.330 1.818 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.266 -1.127 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.554 -0.449 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.643 -1.877 -5.908 1.00 0.00 H new ATOM 440 N ILE A 26 0.139 2.225 -8.388 1.00 0.00 N ATOM 441 CA ILE A 26 1.208 2.946 -9.063 1.00 0.00 C ATOM 442 C ILE A 26 1.507 4.263 -8.362 1.00 0.00 C ATOM 443 O ILE A 26 0.671 5.167 -8.329 1.00 0.00 O ATOM 444 CB ILE A 26 0.856 3.225 -10.538 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.182 2.003 -11.167 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.103 3.611 -11.321 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.193 2.198 -12.620 1.00 0.00 C ATOM 0 H ILE A 26 -0.633 2.810 -8.068 1.00 0.00 H new ATOM 0 HA ILE A 26 2.092 2.310 -9.026 1.00 0.00 H new ATOM 0 HB ILE A 26 0.157 4.061 -10.574 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.852 1.147 -11.085 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.716 1.761 -10.598 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.835 3.804 -12.360 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.542 4.509 -10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.826 2.797 -11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.666 1.292 -12.999 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.888 3.033 -12.708 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.704 2.410 -13.202 1.00 0.00 H new ATOM 459 N VAL A 27 2.708 4.369 -7.803 1.00 0.00 N ATOM 460 CA VAL A 27 3.121 5.577 -7.105 1.00 0.00 C ATOM 461 C VAL A 27 3.752 6.569 -8.074 1.00 0.00 C ATOM 462 O VAL A 27 4.893 6.394 -8.500 1.00 0.00 O ATOM 463 CB VAL A 27 4.133 5.266 -5.986 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.361 6.492 -5.114 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.661 4.086 -5.150 1.00 0.00 C ATOM 0 H VAL A 27 3.412 3.631 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 27 2.225 6.011 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 27 5.083 4.996 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.079 6.252 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.750 7.306 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.417 6.797 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.389 3.882 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.697 4.322 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.558 3.207 -5.787 1.00 0.00 H new ATOM 475 N SER A 28 3.005 7.610 -8.419 1.00 0.00 N ATOM 476 CA SER A 28 3.496 8.626 -9.339 1.00 0.00 C ATOM 477 C SER A 28 4.562 9.491 -8.673 1.00 0.00 C ATOM 478 O SER A 28 4.786 9.399 -7.466 1.00 0.00 O ATOM 479 CB SER A 28 2.343 9.497 -9.838 1.00 0.00 C ATOM 480 OG SER A 28 2.772 10.371 -10.868 1.00 0.00 O ATOM 0 H SER A 28 2.058 7.772 -8.076 1.00 0.00 H new ATOM 0 HA SER A 28 3.948 8.121 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.537 8.862 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.937 10.078 -9.010 1.00 0.00 H new ATOM 0 HG SER A 28 2.016 10.916 -11.171 1.00 0.00 H new ATOM 486 N SER A 29 5.220 10.325 -9.471 1.00 0.00 N ATOM 487 CA SER A 29 6.271 11.203 -8.968 1.00 0.00 C ATOM 488 C SER A 29 5.787 12.054 -7.795 1.00 0.00 C ATOM 489 O SER A 29 6.590 12.510 -6.982 1.00 0.00 O ATOM 490 CB SER A 29 6.781 12.110 -10.090 1.00 0.00 C ATOM 491 OG SER A 29 6.960 11.383 -11.292 1.00 0.00 O ATOM 0 H SER A 29 5.044 10.412 -10.472 1.00 0.00 H new ATOM 0 HA SER A 29 7.083 10.571 -8.610 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.073 12.923 -10.255 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.726 12.565 -9.793 1.00 0.00 H new ATOM 0 HG SER A 29 7.285 11.985 -11.993 1.00 0.00 H new ATOM 497 N LYS A 30 4.477 12.269 -7.710 1.00 0.00 N ATOM 498 CA LYS A 30 3.909 13.071 -6.632 1.00 0.00 C ATOM 499 C LYS A 30 2.428 12.756 -6.423 1.00 0.00 C ATOM 500 O LYS A 30 1.625 13.650 -6.159 1.00 0.00 O ATOM 501 CB LYS A 30 4.090 14.562 -6.935 1.00 0.00 C ATOM 502 CG LYS A 30 5.246 15.202 -6.182 1.00 0.00 C ATOM 503 CD LYS A 30 4.860 15.547 -4.752 1.00 0.00 C ATOM 504 CE LYS A 30 5.527 14.617 -3.752 1.00 0.00 C ATOM 505 NZ LYS A 30 7.004 14.805 -3.717 1.00 0.00 N ATOM 0 H LYS A 30 3.793 11.901 -8.371 1.00 0.00 H new ATOM 0 HA LYS A 30 4.439 12.821 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.250 14.689 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.169 15.089 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.098 14.522 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.564 16.106 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.143 16.577 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.777 15.485 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.115 14.796 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.299 13.583 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.429 14.096 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.391 14.693 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.224 15.758 -3.364 1.00 0.00 H new ATOM 519 N LYS A 31 2.072 11.480 -6.537 1.00 0.00 N ATOM 520 CA LYS A 31 0.688 11.060 -6.354 1.00 0.00 C ATOM 521 C LYS A 31 0.557 9.543 -6.444 1.00 0.00 C ATOM 522 O LYS A 31 1.077 8.920 -7.368 1.00 0.00 O ATOM 523 CB LYS A 31 -0.212 11.724 -7.397 1.00 0.00 C ATOM 524 CG LYS A 31 -1.682 11.742 -7.009 1.00 0.00 C ATOM 525 CD LYS A 31 -1.999 12.906 -6.084 1.00 0.00 C ATOM 526 CE LYS A 31 -2.336 14.164 -6.868 1.00 0.00 C ATOM 527 NZ LYS A 31 -2.977 15.199 -6.009 1.00 0.00 N ATOM 0 H LYS A 31 2.720 10.723 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 31 0.372 11.373 -5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.126 12.748 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.102 11.200 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.296 11.812 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.941 10.804 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.837 12.642 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.145 13.099 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.426 14.571 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.004 13.911 -7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.191 16.041 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.858 14.820 -5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.330 15.460 -5.238 1.00 0.00 H new ATOM 541 N ILE A 32 -0.147 8.957 -5.483 1.00 0.00 N ATOM 542 CA ILE A 32 -0.352 7.513 -5.456 1.00 0.00 C ATOM 543 C ILE A 32 -1.651 7.137 -6.160 1.00 0.00 C ATOM 544 O ILE A 32 -2.734 7.529 -5.729 1.00 0.00 O ATOM 545 CB ILE A 32 -0.386 6.975 -4.013 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.779 7.549 -3.205 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.341 5.455 -4.016 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.825 7.059 -1.775 1.00 0.00 C ATOM 0 H ILE A 32 -0.586 9.459 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 32 0.490 7.061 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.318 7.290 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.715 7.290 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.709 8.637 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.366 5.088 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.201 5.067 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.576 5.119 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.677 7.508 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.095 7.342 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.927 5.974 -1.765 1.00 0.00 H new ATOM 560 N LEU A 33 -1.537 6.382 -7.247 1.00 0.00 N ATOM 561 CA LEU A 33 -2.707 5.965 -8.010 1.00 0.00 C ATOM 562 C LEU A 33 -3.095 4.526 -7.681 1.00 0.00 C ATOM 563 O LEU A 33 -2.237 3.679 -7.437 1.00 0.00 O ATOM 564 CB LEU A 33 -2.436 6.101 -9.510 1.00 0.00 C ATOM 565 CG LEU A 33 -1.828 7.437 -9.937 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.891 7.243 -11.121 1.00 0.00 C ATOM 567 CD2 LEU A 33 -2.923 8.435 -10.280 1.00 0.00 C ATOM 0 H LEU A 33 -0.648 6.047 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.537 6.615 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.765 5.299 -9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.373 5.957 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.249 7.835 -9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.468 8.205 -11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.087 6.562 -10.841 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.447 6.823 -11.960 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.472 9.380 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.528 8.044 -11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.555 8.597 -9.406 1.00 0.00 H new ATOM 579 N PHE A 34 -4.398 4.261 -7.681 1.00 0.00 N ATOM 580 CA PHE A 34 -4.912 2.929 -7.386 1.00 0.00 C ATOM 581 C PHE A 34 -5.906 2.487 -8.455 1.00 0.00 C ATOM 582 O PHE A 34 -6.812 3.235 -8.823 1.00 0.00 O ATOM 583 CB PHE A 34 -5.582 2.912 -6.010 1.00 0.00 C ATOM 584 CG PHE A 34 -5.049 1.845 -5.097 1.00 0.00 C ATOM 585 CD1 PHE A 34 -5.593 0.571 -5.105 1.00 0.00 C ATOM 586 CD2 PHE A 34 -4.005 2.117 -4.229 1.00 0.00 C ATOM 587 CE1 PHE A 34 -5.106 -0.413 -4.266 1.00 0.00 C ATOM 588 CE2 PHE A 34 -3.512 1.138 -3.386 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.063 -0.128 -3.405 1.00 0.00 C ATOM 0 H PHE A 34 -5.119 4.954 -7.883 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.074 2.232 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.447 3.885 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.655 2.766 -6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.408 0.344 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.571 3.106 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.539 -1.402 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.697 1.363 -2.714 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.679 -0.895 -2.748 1.00 0.00 H new ATOM 599 N TYR A 35 -5.730 1.267 -8.949 1.00 0.00 N ATOM 600 CA TYR A 35 -6.610 0.725 -9.976 1.00 0.00 C ATOM 601 C TYR A 35 -6.985 -0.721 -9.663 1.00 0.00 C ATOM 602 O TYR A 35 -6.428 -1.335 -8.753 1.00 0.00 O ATOM 603 CB TYR A 35 -5.939 0.803 -11.349 1.00 0.00 C ATOM 604 CG TYR A 35 -5.546 2.206 -11.755 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.360 2.773 -11.308 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.363 2.962 -12.588 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.997 4.053 -11.678 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.006 4.243 -12.963 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.824 4.784 -12.505 1.00 0.00 C ATOM 610 OH TYR A 35 -4.466 6.060 -12.876 1.00 0.00 O ATOM 0 H TYR A 35 -4.986 0.635 -8.655 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.520 1.324 -9.990 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.050 0.173 -11.345 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.616 0.394 -12.098 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.710 2.203 -10.660 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.291 2.542 -12.947 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.071 4.479 -11.322 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.650 4.818 -13.612 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.156 6.436 -13.461 1.00 0.00 H new ATOM 620 N ASP A 36 -7.933 -1.256 -10.425 1.00 0.00 N ATOM 621 CA ASP A 36 -8.384 -2.629 -10.231 1.00 0.00 C ATOM 622 C ASP A 36 -7.967 -3.517 -11.402 1.00 0.00 C ATOM 623 O ASP A 36 -7.909 -4.740 -11.273 1.00 0.00 O ATOM 624 CB ASP A 36 -9.905 -2.667 -10.064 1.00 0.00 C ATOM 625 CG ASP A 36 -10.631 -2.018 -11.226 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.180 -0.948 -11.685 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.651 -2.581 -11.677 1.00 0.00 O ATOM 0 H ASP A 36 -8.404 -0.760 -11.182 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.913 -3.013 -9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.231 -3.703 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.179 -2.160 -9.139 1.00 0.00 H new ATOM 632 N SER A 37 -7.679 -2.896 -12.542 1.00 0.00 N ATOM 633 CA SER A 37 -7.269 -3.637 -13.730 1.00 0.00 C ATOM 634 C SER A 37 -6.509 -2.738 -14.700 1.00 0.00 C ATOM 635 O SER A 37 -6.389 -1.532 -14.479 1.00 0.00 O ATOM 636 CB SER A 37 -8.491 -4.239 -14.427 1.00 0.00 C ATOM 637 OG SER A 37 -9.201 -5.103 -13.557 1.00 0.00 O ATOM 0 H SER A 37 -7.722 -1.885 -12.668 1.00 0.00 H new ATOM 0 HA SER A 37 -6.605 -4.441 -13.413 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.149 -3.440 -14.768 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.174 -4.790 -15.312 1.00 0.00 H new ATOM 0 HG SER A 37 -8.629 -5.348 -12.800 1.00 0.00 H new ATOM 643 N GLU A 38 -5.998 -3.332 -15.774 1.00 0.00 N ATOM 644 CA GLU A 38 -5.250 -2.585 -16.778 1.00 0.00 C ATOM 645 C GLU A 38 -6.176 -1.689 -17.593 1.00 0.00 C ATOM 646 O GLU A 38 -5.796 -0.589 -17.997 1.00 0.00 O ATOM 647 CB GLU A 38 -4.503 -3.546 -17.706 1.00 0.00 C ATOM 648 CG GLU A 38 -3.075 -3.829 -17.267 1.00 0.00 C ATOM 649 CD GLU A 38 -2.179 -4.231 -18.422 1.00 0.00 C ATOM 650 OE1 GLU A 38 -2.096 -3.463 -19.404 1.00 0.00 O ATOM 651 OE2 GLU A 38 -1.560 -5.314 -18.345 1.00 0.00 O ATOM 0 H GLU A 38 -6.089 -4.329 -15.971 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.527 -1.954 -16.261 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.051 -4.487 -17.759 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.489 -3.128 -18.713 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.664 -2.942 -16.785 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.079 -4.624 -16.521 1.00 0.00 H new ATOM 658 N GLN A 39 -7.393 -2.166 -17.834 1.00 0.00 N ATOM 659 CA GLN A 39 -8.373 -1.407 -18.602 1.00 0.00 C ATOM 660 C GLN A 39 -8.669 -0.068 -17.936 1.00 0.00 C ATOM 661 O GLN A 39 -8.568 0.987 -18.564 1.00 0.00 O ATOM 662 CB GLN A 39 -9.665 -2.210 -18.754 1.00 0.00 C ATOM 663 CG GLN A 39 -9.588 -3.287 -19.824 1.00 0.00 C ATOM 664 CD GLN A 39 -8.783 -4.492 -19.380 1.00 0.00 C ATOM 665 OE1 GLN A 39 -7.839 -4.906 -20.053 1.00 0.00 O ATOM 666 NE2 GLN A 39 -9.155 -5.064 -18.240 1.00 0.00 N ATOM 0 H GLN A 39 -7.724 -3.074 -17.509 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.953 -1.216 -19.590 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.909 -2.675 -17.799 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.481 -1.528 -18.994 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.597 -3.605 -20.087 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.141 -2.868 -20.725 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.944 -4.687 -17.714 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.652 -5.880 -17.891 1.00 0.00 H new ATOM 675 N ASP A 40 -9.032 -0.117 -16.658 1.00 0.00 N ATOM 676 CA ASP A 40 -9.340 1.093 -15.905 1.00 0.00 C ATOM 677 C ASP A 40 -8.116 2.001 -15.807 1.00 0.00 C ATOM 678 O ASP A 40 -8.243 3.211 -15.618 1.00 0.00 O ATOM 679 CB ASP A 40 -9.836 0.734 -14.503 1.00 0.00 C ATOM 680 CG ASP A 40 -11.205 0.082 -14.523 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.300 -1.086 -14.952 1.00 0.00 O ATOM 682 OD2 ASP A 40 -12.183 0.742 -14.111 1.00 0.00 O ATOM 0 H ASP A 40 -9.120 -0.981 -16.123 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.127 1.630 -16.435 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.122 0.060 -14.030 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.875 1.636 -13.892 1.00 0.00 H new ATOM 687 N LYS A 41 -6.933 1.408 -15.936 1.00 0.00 N ATOM 688 CA LYS A 41 -5.688 2.164 -15.862 1.00 0.00 C ATOM 689 C LYS A 41 -5.492 3.013 -17.114 1.00 0.00 C ATOM 690 O LYS A 41 -5.268 4.220 -17.029 1.00 0.00 O ATOM 691 CB LYS A 41 -4.501 1.215 -15.684 1.00 0.00 C ATOM 692 CG LYS A 41 -3.385 1.791 -14.828 1.00 0.00 C ATOM 693 CD LYS A 41 -2.560 2.811 -15.599 1.00 0.00 C ATOM 694 CE LYS A 41 -1.167 2.285 -15.908 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.242 3.372 -16.332 1.00 0.00 N ATOM 0 H LYS A 41 -6.811 0.407 -16.092 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.746 2.828 -15.000 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.853 0.288 -15.232 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.100 0.960 -16.665 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.811 2.261 -13.942 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.738 0.985 -14.482 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.069 3.063 -16.529 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.482 3.730 -15.019 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.763 1.789 -15.026 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.229 1.534 -16.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.696 2.971 -16.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.614 3.830 -17.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.162 4.076 -15.571 1.00 0.00 H new ATOM 709 N GLU A 42 -5.578 2.373 -18.275 1.00 0.00 N ATOM 710 CA GLU A 42 -5.411 3.069 -19.545 1.00 0.00 C ATOM 711 C GLU A 42 -6.594 3.994 -19.825 1.00 0.00 C ATOM 712 O GLU A 42 -6.481 4.941 -20.603 1.00 0.00 O ATOM 713 CB GLU A 42 -5.256 2.062 -20.686 1.00 0.00 C ATOM 714 CG GLU A 42 -6.434 1.111 -20.822 1.00 0.00 C ATOM 715 CD GLU A 42 -6.336 0.235 -22.055 1.00 0.00 C ATOM 716 OE1 GLU A 42 -5.740 -0.858 -21.961 1.00 0.00 O ATOM 717 OE2 GLU A 42 -6.854 0.643 -23.116 1.00 0.00 O ATOM 0 H GLU A 42 -5.762 1.374 -18.363 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.508 3.677 -19.479 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.127 2.604 -21.623 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.347 1.481 -20.526 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.491 0.479 -19.936 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.359 1.687 -20.862 1.00 0.00 H new ATOM 724 N GLN A 43 -7.726 3.713 -19.187 1.00 0.00 N ATOM 725 CA GLN A 43 -8.927 4.522 -19.370 1.00 0.00 C ATOM 726 C GLN A 43 -8.925 5.742 -18.448 1.00 0.00 C ATOM 727 O GLN A 43 -9.898 6.497 -18.404 1.00 0.00 O ATOM 728 CB GLN A 43 -10.177 3.678 -19.113 1.00 0.00 C ATOM 729 CG GLN A 43 -11.437 4.249 -19.742 1.00 0.00 C ATOM 730 CD GLN A 43 -11.521 3.973 -21.230 1.00 0.00 C ATOM 731 OE1 GLN A 43 -11.538 4.897 -22.045 1.00 0.00 O ATOM 732 NE2 GLN A 43 -11.576 2.697 -21.594 1.00 0.00 N ATOM 0 H GLN A 43 -7.837 2.933 -18.540 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.935 4.876 -20.401 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.012 2.672 -19.499 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.328 3.585 -18.037 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.310 3.824 -19.247 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.467 5.325 -19.573 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.559 1.963 -20.886 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.635 2.451 -22.582 1.00 0.00 H new ATOM 741 N SER A 44 -7.832 5.934 -17.710 1.00 0.00 N ATOM 742 CA SER A 44 -7.717 7.065 -16.795 1.00 0.00 C ATOM 743 C SER A 44 -8.787 7.001 -15.710 1.00 0.00 C ATOM 744 O SER A 44 -9.271 8.031 -15.240 1.00 0.00 O ATOM 745 CB SER A 44 -7.833 8.383 -17.564 1.00 0.00 C ATOM 746 OG SER A 44 -6.570 8.802 -18.052 1.00 0.00 O ATOM 0 H SER A 44 -7.016 5.322 -17.729 1.00 0.00 H new ATOM 0 HA SER A 44 -6.739 7.014 -16.317 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.526 8.262 -18.397 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.248 9.152 -16.913 1.00 0.00 H new ATOM 0 HG SER A 44 -6.672 9.645 -18.541 1.00 0.00 H new ATOM 752 N ASN A 45 -9.151 5.785 -15.316 1.00 0.00 N ATOM 753 CA ASN A 45 -10.161 5.587 -14.283 1.00 0.00 C ATOM 754 C ASN A 45 -9.533 5.020 -13.011 1.00 0.00 C ATOM 755 O ASN A 45 -9.593 3.816 -12.761 1.00 0.00 O ATOM 756 CB ASN A 45 -11.262 4.653 -14.791 1.00 0.00 C ATOM 757 CG ASN A 45 -12.648 5.240 -14.608 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.323 4.973 -13.613 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.081 6.046 -15.570 1.00 0.00 N ATOM 0 H ASN A 45 -8.762 4.922 -15.696 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.601 6.555 -14.045 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.097 4.442 -15.847 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.200 3.702 -14.262 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.006 6.471 -15.502 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.489 6.240 -16.377 1.00 0.00 H new ATOM 766 N PRO A 46 -8.915 5.886 -12.189 1.00 0.00 N ATOM 767 CA PRO A 46 -8.271 5.467 -10.941 1.00 0.00 C ATOM 768 C PRO A 46 -9.280 5.126 -9.849 1.00 0.00 C ATOM 769 O PRO A 46 -10.058 5.978 -9.420 1.00 0.00 O ATOM 770 CB PRO A 46 -7.449 6.693 -10.543 1.00 0.00 C ATOM 771 CG PRO A 46 -8.183 7.846 -11.133 1.00 0.00 C ATOM 772 CD PRO A 46 -8.794 7.340 -12.413 1.00 0.00 C ATOM 0 HA PRO A 46 -7.680 4.560 -11.072 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.373 6.784 -9.460 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.432 6.631 -10.930 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.952 8.209 -10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.508 8.680 -11.326 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.765 7.799 -12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.163 7.562 -13.274 1.00 0.00 H new ATOM 780 N TYR A 47 -9.257 3.875 -9.401 1.00 0.00 N ATOM 781 CA TYR A 47 -10.164 3.419 -8.353 1.00 0.00 C ATOM 782 C TYR A 47 -9.974 4.241 -7.082 1.00 0.00 C ATOM 783 O TYR A 47 -10.920 4.467 -6.327 1.00 0.00 O ATOM 784 CB TYR A 47 -9.929 1.937 -8.057 1.00 0.00 C ATOM 785 CG TYR A 47 -10.898 1.358 -7.052 1.00 0.00 C ATOM 786 CD1 TYR A 47 -10.765 1.626 -5.695 1.00 0.00 C ATOM 787 CD2 TYR A 47 -11.947 0.544 -7.460 1.00 0.00 C ATOM 788 CE1 TYR A 47 -11.649 1.097 -4.774 1.00 0.00 C ATOM 789 CE2 TYR A 47 -12.835 0.012 -6.545 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.682 0.292 -5.204 1.00 0.00 C ATOM 791 OH TYR A 47 -13.565 -0.236 -4.289 1.00 0.00 O ATOM 0 H TYR A 47 -8.620 3.158 -9.748 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.187 3.553 -8.704 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.004 1.373 -8.987 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.913 1.806 -7.686 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.958 2.258 -5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.071 0.323 -8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.531 1.313 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.645 -0.620 -6.879 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.234 -0.779 -4.756 1.00 0.00 H new ATOM 801 N MET A 48 -8.743 4.686 -6.857 1.00 0.00 N ATOM 802 CA MET A 48 -8.415 5.486 -5.683 1.00 0.00 C ATOM 803 C MET A 48 -7.086 6.205 -5.885 1.00 0.00 C ATOM 804 O MET A 48 -6.193 5.693 -6.559 1.00 0.00 O ATOM 805 CB MET A 48 -8.346 4.602 -4.436 1.00 0.00 C ATOM 806 CG MET A 48 -8.555 5.365 -3.138 1.00 0.00 C ATOM 807 SD MET A 48 -7.006 5.738 -2.293 1.00 0.00 S ATOM 808 CE MET A 48 -6.303 4.099 -2.128 1.00 0.00 C ATOM 0 H MET A 48 -7.952 4.505 -7.475 1.00 0.00 H new ATOM 0 HA MET A 48 -9.200 6.229 -5.544 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.101 3.819 -4.513 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.375 4.107 -4.405 1.00 0.00 H new ATOM 0 HG2 MET A 48 -9.082 6.295 -3.349 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.193 4.780 -2.476 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.960 3.952 -1.104 1.00 0.00 H new ATOM 0 HE2 MET A 48 -7.060 3.352 -2.368 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.461 3.994 -2.812 1.00 0.00 H new ATOM 818 N VAL A 49 -6.959 7.392 -5.303 1.00 0.00 N ATOM 819 CA VAL A 49 -5.733 8.169 -5.435 1.00 0.00 C ATOM 820 C VAL A 49 -5.389 8.892 -4.136 1.00 0.00 C ATOM 821 O VAL A 49 -6.260 9.465 -3.480 1.00 0.00 O ATOM 822 CB VAL A 49 -5.843 9.198 -6.577 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.989 10.162 -6.319 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.531 9.951 -6.756 1.00 0.00 C ATOM 0 H VAL A 49 -7.685 7.835 -4.739 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.936 7.463 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.051 8.660 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.051 10.881 -7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.924 9.606 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.815 10.692 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.633 10.672 -7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.284 10.476 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.736 9.245 -6.996 1.00 0.00 H new ATOM 834 N LEU A 50 -4.111 8.861 -3.773 1.00 0.00 N ATOM 835 CA LEU A 50 -3.640 9.512 -2.557 1.00 0.00 C ATOM 836 C LEU A 50 -2.525 10.504 -2.875 1.00 0.00 C ATOM 837 O LEU A 50 -1.838 10.376 -3.888 1.00 0.00 O ATOM 838 CB LEU A 50 -3.140 8.469 -1.554 1.00 0.00 C ATOM 839 CG LEU A 50 -3.958 7.175 -1.501 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.141 6.001 -2.020 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.441 6.905 -0.084 1.00 0.00 C ATOM 0 H LEU A 50 -3.381 8.390 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.475 10.056 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.108 8.218 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.133 8.917 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.830 7.296 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.740 5.092 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.848 6.190 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.249 5.879 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.020 5.982 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.583 6.807 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.067 7.732 0.251 1.00 0.00 H new ATOM 853 N ASP A 51 -2.350 11.491 -2.003 1.00 0.00 N ATOM 854 CA ASP A 51 -1.319 12.504 -2.195 1.00 0.00 C ATOM 855 C ASP A 51 -0.031 12.112 -1.475 1.00 0.00 C ATOM 856 O ASP A 51 0.008 12.048 -0.246 1.00 0.00 O ATOM 857 CB ASP A 51 -1.807 13.862 -1.688 1.00 0.00 C ATOM 858 CG ASP A 51 -2.437 14.697 -2.786 1.00 0.00 C ATOM 859 OD1 ASP A 51 -1.719 15.058 -3.743 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.647 14.991 -2.689 1.00 0.00 O ATOM 0 H ASP A 51 -2.908 11.611 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.111 12.577 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.533 13.709 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.968 14.408 -1.256 1.00 0.00 H new ATOM 865 N ILE A 52 1.019 11.851 -2.248 1.00 0.00 N ATOM 866 CA ILE A 52 2.309 11.467 -1.683 1.00 0.00 C ATOM 867 C ILE A 52 2.793 12.501 -0.669 1.00 0.00 C ATOM 868 O ILE A 52 3.501 12.169 0.281 1.00 0.00 O ATOM 869 CB ILE A 52 3.374 11.291 -2.789 1.00 0.00 C ATOM 870 CG1 ILE A 52 2.951 10.180 -3.754 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.739 10.985 -2.181 1.00 0.00 C ATOM 872 CD1 ILE A 52 3.989 9.860 -4.810 1.00 0.00 C ATOM 0 H ILE A 52 1.002 11.898 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 52 2.168 10.512 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 52 3.455 12.225 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.737 9.277 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.024 10.473 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.473 10.865 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.040 11.806 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.680 10.065 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.618 9.064 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.186 10.750 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.911 9.535 -4.327 1.00 0.00 H new ATOM 884 N ASP A 53 2.399 13.753 -0.875 1.00 0.00 N ATOM 885 CA ASP A 53 2.787 14.834 0.023 1.00 0.00 C ATOM 886 C ASP A 53 1.975 14.783 1.315 1.00 0.00 C ATOM 887 O ASP A 53 2.432 15.233 2.365 1.00 0.00 O ATOM 888 CB ASP A 53 2.595 16.187 -0.665 1.00 0.00 C ATOM 889 CG ASP A 53 3.001 17.353 0.218 1.00 0.00 C ATOM 890 OD1 ASP A 53 3.671 17.116 1.245 1.00 0.00 O ATOM 891 OD2 ASP A 53 2.648 18.503 -0.119 1.00 0.00 O ATOM 0 H ASP A 53 1.811 14.044 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 53 3.840 14.709 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.182 16.210 -1.583 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.549 16.300 -0.952 1.00 0.00 H new ATOM 896 N LYS A 54 0.769 14.231 1.228 1.00 0.00 N ATOM 897 CA LYS A 54 -0.109 14.120 2.388 1.00 0.00 C ATOM 898 C LYS A 54 0.337 12.992 3.317 1.00 0.00 C ATOM 899 O LYS A 54 -0.096 12.917 4.467 1.00 0.00 O ATOM 900 CB LYS A 54 -1.552 13.884 1.939 1.00 0.00 C ATOM 901 CG LYS A 54 -2.241 15.139 1.427 1.00 0.00 C ATOM 902 CD LYS A 54 -3.751 15.040 1.560 1.00 0.00 C ATOM 903 CE LYS A 54 -4.373 16.394 1.864 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.850 16.382 1.678 1.00 0.00 N ATOM 0 H LYS A 54 0.377 13.853 0.365 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.052 15.058 2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.561 13.128 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.123 13.481 2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.882 16.005 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.977 15.300 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.173 14.643 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.002 14.336 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.139 16.679 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.932 17.150 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.235 17.323 1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.074 16.135 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.275 15.679 2.316 1.00 0.00 H new ATOM 918 N LEU A 55 1.204 12.112 2.816 1.00 0.00 N ATOM 919 CA LEU A 55 1.700 10.992 3.608 1.00 0.00 C ATOM 920 C LEU A 55 2.294 11.473 4.928 1.00 0.00 C ATOM 921 O LEU A 55 2.726 12.621 5.044 1.00 0.00 O ATOM 922 CB LEU A 55 2.754 10.206 2.824 1.00 0.00 C ATOM 923 CG LEU A 55 2.253 9.534 1.543 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.292 8.556 1.015 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.931 8.822 1.790 1.00 0.00 C ATOM 0 H LEU A 55 1.575 12.155 1.867 1.00 0.00 H new ATOM 0 HA LEU A 55 0.855 10.339 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.569 10.882 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.171 9.440 3.477 1.00 0.00 H new ATOM 0 HG LEU A 55 2.090 10.307 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.920 8.087 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.217 9.090 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.484 7.789 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.593 8.351 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.066 8.060 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.186 9.544 2.123 1.00 0.00 H new ATOM 937 N PHE A 56 2.313 10.590 5.920 1.00 0.00 N ATOM 938 CA PHE A 56 2.856 10.923 7.232 1.00 0.00 C ATOM 939 C PHE A 56 4.061 10.050 7.557 1.00 0.00 C ATOM 940 O PHE A 56 5.053 10.524 8.111 1.00 0.00 O ATOM 941 CB PHE A 56 1.783 10.753 8.309 1.00 0.00 C ATOM 942 CG PHE A 56 0.843 11.921 8.410 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.330 13.207 8.575 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.528 11.730 8.341 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.467 14.283 8.669 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.395 12.801 8.434 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.897 14.079 8.598 1.00 0.00 C ATOM 0 H PHE A 56 1.958 9.637 5.841 1.00 0.00 H new ATOM 0 HA PHE A 56 3.178 11.964 7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.208 9.851 8.098 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.268 10.603 9.273 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.396 13.371 8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.923 10.733 8.213 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.859 15.281 8.798 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.461 12.639 8.379 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.574 14.918 8.671 1.00 0.00 H new ATOM 957 N HIS A 57 3.970 8.770 7.210 1.00 0.00 N ATOM 958 CA HIS A 57 5.054 7.829 7.466 1.00 0.00 C ATOM 959 C HIS A 57 4.720 6.445 6.916 1.00 0.00 C ATOM 960 O HIS A 57 3.609 5.945 7.095 1.00 0.00 O ATOM 961 CB HIS A 57 5.338 7.743 8.968 1.00 0.00 C ATOM 962 CG HIS A 57 6.738 8.127 9.335 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.841 7.731 8.609 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.212 8.875 10.359 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.933 8.219 9.171 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.579 8.917 10.233 1.00 0.00 N ATOM 0 H HIS A 57 3.156 8.361 6.751 1.00 0.00 H new ATOM 0 HA HIS A 57 5.945 8.193 6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.641 8.391 9.499 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.148 6.725 9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.625 9.350 11.131 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.944 8.071 8.820 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.217 9.408 10.859 1.00 0.00 H new ATOM 975 N VAL A 58 5.692 5.831 6.249 1.00 0.00 N ATOM 976 CA VAL A 58 5.509 4.504 5.675 1.00 0.00 C ATOM 977 C VAL A 58 6.454 3.499 6.323 1.00 0.00 C ATOM 978 O VAL A 58 7.674 3.651 6.256 1.00 0.00 O ATOM 979 CB VAL A 58 5.747 4.509 4.153 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.330 3.179 3.542 1.00 0.00 C ATOM 981 CG2 VAL A 58 5.007 5.665 3.496 1.00 0.00 C ATOM 0 H VAL A 58 6.616 6.233 6.093 1.00 0.00 H new ATOM 0 HA VAL A 58 4.477 4.212 5.869 1.00 0.00 H new ATOM 0 HB VAL A 58 6.813 4.646 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.506 3.202 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.915 2.374 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.271 3.007 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.189 5.650 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.938 5.567 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.363 6.608 3.911 1.00 0.00 H new ATOM 991 N ARG A 59 5.887 2.475 6.955 1.00 0.00 N ATOM 992 CA ARG A 59 6.688 1.452 7.620 1.00 0.00 C ATOM 993 C ARG A 59 6.042 0.074 7.489 1.00 0.00 C ATOM 994 O ARG A 59 4.828 -0.039 7.324 1.00 0.00 O ATOM 995 CB ARG A 59 6.865 1.800 9.100 1.00 0.00 C ATOM 996 CG ARG A 59 7.872 2.912 9.350 1.00 0.00 C ATOM 997 CD ARG A 59 9.218 2.360 9.797 1.00 0.00 C ATOM 998 NE ARG A 59 9.568 2.799 11.146 1.00 0.00 N ATOM 999 CZ ARG A 59 10.757 2.592 11.707 1.00 0.00 C ATOM 1000 NH1 ARG A 59 11.712 1.954 11.042 1.00 0.00 N ATOM 1001 NH2 ARG A 59 10.992 3.023 12.939 1.00 0.00 N ATOM 0 H ARG A 59 4.879 2.332 7.021 1.00 0.00 H new ATOM 0 HA ARG A 59 7.664 1.422 7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.900 2.096 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.182 0.907 9.639 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.002 3.497 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.485 3.589 10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.192 1.271 9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.991 2.681 9.099 1.00 0.00 H new ATOM 0 HE ARG A 59 8.860 3.293 11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.537 1.619 10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.621 1.799 11.478 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.262 3.513 13.456 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.903 2.865 13.370 1.00 0.00 H new ATOM 1015 N PRO A 60 6.854 -0.996 7.565 1.00 0.00 N ATOM 1016 CA PRO A 60 6.359 -2.373 7.460 1.00 0.00 C ATOM 1017 C PRO A 60 5.480 -2.762 8.643 1.00 0.00 C ATOM 1018 O PRO A 60 5.447 -2.069 9.659 1.00 0.00 O ATOM 1019 CB PRO A 60 7.638 -3.213 7.447 1.00 0.00 C ATOM 1020 CG PRO A 60 8.657 -2.365 8.125 1.00 0.00 C ATOM 1021 CD PRO A 60 8.313 -0.948 7.765 1.00 0.00 C ATOM 0 HA PRO A 60 5.733 -2.514 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.496 -4.157 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.941 -3.457 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.632 -2.511 9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.663 -2.620 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.588 -0.253 8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.833 -0.624 6.863 1.00 0.00 H new ATOM 1029 N VAL A 61 4.771 -3.878 8.505 1.00 0.00 N ATOM 1030 CA VAL A 61 3.895 -4.360 9.565 1.00 0.00 C ATOM 1031 C VAL A 61 4.488 -5.584 10.253 1.00 0.00 C ATOM 1032 O VAL A 61 5.543 -6.080 9.859 1.00 0.00 O ATOM 1033 CB VAL A 61 2.494 -4.711 9.026 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.825 -3.480 8.434 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.575 -5.828 7.994 1.00 0.00 C ATOM 0 H VAL A 61 4.786 -4.464 7.670 1.00 0.00 H new ATOM 0 HA VAL A 61 3.801 -3.550 10.289 1.00 0.00 H new ATOM 0 HB VAL A 61 1.887 -5.064 9.860 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.837 -3.748 8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.726 -2.714 9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.432 -3.094 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.574 -6.058 7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.202 -5.509 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.007 -6.717 8.453 1.00 0.00 H new ATOM 1045 N THR A 62 3.802 -6.068 11.283 1.00 0.00 N ATOM 1046 CA THR A 62 4.261 -7.235 12.025 1.00 0.00 C ATOM 1047 C THR A 62 3.144 -8.263 12.170 1.00 0.00 C ATOM 1048 O THR A 62 2.055 -8.091 11.622 1.00 0.00 O ATOM 1049 CB THR A 62 4.769 -6.819 13.406 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.723 -6.254 14.176 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.896 -5.809 13.352 1.00 0.00 C ATOM 0 H THR A 62 2.926 -5.670 11.622 1.00 0.00 H new ATOM 0 HA THR A 62 5.078 -7.691 11.466 1.00 0.00 H new ATOM 0 HB THR A 62 5.146 -7.735 13.862 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.068 -5.996 15.056 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.208 -5.558 14.366 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.739 -6.234 12.807 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.553 -4.908 12.844 1.00 0.00 H new ATOM 1059 N GLN A 63 3.420 -9.330 12.911 1.00 0.00 N ATOM 1060 CA GLN A 63 2.436 -10.386 13.128 1.00 0.00 C ATOM 1061 C GLN A 63 1.213 -9.857 13.874 1.00 0.00 C ATOM 1062 O GLN A 63 0.160 -10.492 13.879 1.00 0.00 O ATOM 1063 CB GLN A 63 3.062 -11.543 13.910 1.00 0.00 C ATOM 1064 CG GLN A 63 2.195 -12.792 13.942 1.00 0.00 C ATOM 1065 CD GLN A 63 2.520 -13.757 12.820 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.676 -14.134 12.624 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.499 -14.162 12.073 1.00 0.00 N ATOM 0 H GLN A 63 4.316 -9.487 13.372 1.00 0.00 H new ATOM 0 HA GLN A 63 2.112 -10.746 12.152 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.026 -11.791 13.467 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.255 -11.218 14.932 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.326 -13.296 14.899 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.146 -12.503 13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.557 -13.824 12.271 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.657 -14.811 11.302 1.00 0.00 H new ATOM 1076 N THR A 64 1.357 -8.695 14.504 1.00 0.00 N ATOM 1077 CA THR A 64 0.259 -8.091 15.251 1.00 0.00 C ATOM 1078 C THR A 64 -0.740 -7.418 14.313 1.00 0.00 C ATOM 1079 O THR A 64 -1.902 -7.224 14.668 1.00 0.00 O ATOM 1080 CB THR A 64 0.801 -7.072 16.255 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.305 -5.929 15.585 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.910 -7.620 17.126 1.00 0.00 C ATOM 0 H THR A 64 2.222 -8.154 14.512 1.00 0.00 H new ATOM 0 HA THR A 64 -0.259 -8.885 15.789 1.00 0.00 H new ATOM 0 HB THR A 64 -0.045 -6.816 16.893 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.144 -6.158 15.134 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.248 -6.846 17.815 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.539 -8.473 17.693 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.743 -7.936 16.498 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.282 -7.060 13.117 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.140 -6.406 12.135 1.00 0.00 C ATOM 1092 C ASP A 65 -2.223 -7.356 11.630 1.00 0.00 C ATOM 1093 O ASP A 65 -3.310 -6.924 11.246 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.304 -5.894 10.959 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.661 -4.472 10.575 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.756 -4.267 10.009 1.00 0.00 O ATOM 1097 OD2 ASP A 65 0.154 -3.563 10.837 1.00 0.00 O ATOM 0 H ASP A 65 0.677 -7.212 12.805 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.627 -5.562 12.623 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.753 -5.943 11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.451 -6.548 10.099 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.920 -8.650 11.628 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.867 -9.656 11.168 1.00 0.00 C ATOM 1104 C VAL A 66 -2.827 -10.897 12.052 1.00 0.00 C ATOM 1105 O VAL A 66 -2.073 -10.956 13.022 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.583 -10.070 9.711 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -3.116 -9.024 8.744 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -1.093 -10.293 9.497 1.00 0.00 C ATOM 0 H VAL A 66 -1.025 -9.026 11.940 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.858 -9.205 11.225 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.099 -11.010 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.906 -9.334 7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.193 -8.920 8.878 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.632 -8.067 8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.914 -10.585 8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.552 -9.372 9.713 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.744 -11.083 10.162 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.641 -11.885 11.707 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.698 -13.130 12.465 1.00 0.00 C ATOM 1120 C TYR A 67 -3.851 -14.321 11.527 1.00 0.00 C ATOM 1121 O TYR A 67 -3.131 -15.313 11.645 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.857 -13.094 13.463 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.211 -12.910 12.815 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.727 -11.641 12.583 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.975 -14.008 12.434 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.963 -11.469 11.992 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.213 -13.844 11.841 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.702 -12.574 11.623 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.934 -12.407 11.033 1.00 0.00 O ATOM 0 H TYR A 67 -4.272 -11.850 10.906 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.764 -13.239 13.016 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.861 -14.022 14.035 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.690 -12.283 14.172 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.151 -10.774 12.870 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.595 -15.005 12.604 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.349 -10.475 11.820 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.794 -14.707 11.550 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.899 -11.651 10.410 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.787 -14.213 10.591 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.031 -15.278 9.626 1.00 0.00 C ATOM 1141 C ARG A 68 -3.889 -15.362 8.617 1.00 0.00 C ATOM 1142 O ARG A 68 -3.634 -16.418 8.037 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.354 -15.044 8.894 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.428 -13.706 8.175 1.00 0.00 C ATOM 1145 CD ARG A 68 -5.916 -13.808 6.746 1.00 0.00 C ATOM 1146 NE ARG A 68 -6.590 -14.863 5.993 1.00 0.00 N ATOM 1147 CZ ARG A 68 -6.267 -15.205 4.748 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -5.285 -14.577 4.113 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -6.927 -16.179 4.136 1.00 0.00 N ATOM 0 H ARG A 68 -5.390 -13.398 10.480 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.089 -16.221 10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.504 -15.844 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.172 -15.106 9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.459 -13.353 8.168 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.841 -12.967 8.720 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.062 -12.853 6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.843 -14.002 6.759 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.352 -15.366 6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.773 -13.828 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.042 -14.844 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.682 -16.666 4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.680 -16.441 3.182 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.203 -14.240 8.414 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.087 -14.182 7.478 1.00 0.00 C ATOM 1165 C ALA A 69 -1.027 -15.226 7.817 1.00 0.00 C ATOM 1166 O ALA A 69 -1.246 -16.094 8.662 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.477 -12.787 7.477 1.00 0.00 C ATOM 0 H ALA A 69 -3.402 -13.358 8.887 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.468 -14.404 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.644 -12.755 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.232 -12.060 7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.117 -12.546 8.477 1.00 0.00 H new ATOM 1173 N ASP A 70 0.120 -15.134 7.152 1.00 0.00 N ATOM 1174 CA ASP A 70 1.214 -16.071 7.385 1.00 0.00 C ATOM 1175 C ASP A 70 2.487 -15.329 7.775 1.00 0.00 C ATOM 1176 O ASP A 70 2.787 -14.264 7.236 1.00 0.00 O ATOM 1177 CB ASP A 70 1.464 -16.916 6.133 1.00 0.00 C ATOM 1178 CG ASP A 70 1.779 -18.361 6.465 1.00 0.00 C ATOM 1179 OD1 ASP A 70 0.948 -19.011 7.132 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.858 -18.842 6.059 1.00 0.00 O ATOM 0 H ASP A 70 0.316 -14.422 6.449 1.00 0.00 H new ATOM 0 HA ASP A 70 0.931 -16.728 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.585 -16.877 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.291 -16.487 5.568 1.00 0.00 H new ATOM 1185 N ALA A 71 3.234 -15.900 8.717 1.00 0.00 N ATOM 1186 CA ALA A 71 4.478 -15.294 9.184 1.00 0.00 C ATOM 1187 C ALA A 71 5.374 -14.888 8.017 1.00 0.00 C ATOM 1188 O ALA A 71 6.170 -13.956 8.128 1.00 0.00 O ATOM 1189 CB ALA A 71 5.214 -16.252 10.109 1.00 0.00 C ATOM 0 H ALA A 71 2.999 -16.782 9.172 1.00 0.00 H new ATOM 0 HA ALA A 71 4.224 -14.390 9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.140 -15.789 10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.585 -16.483 10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.445 -17.171 9.571 1.00 0.00 H new ATOM 1195 N LYS A 72 5.239 -15.595 6.900 1.00 0.00 N ATOM 1196 CA LYS A 72 6.038 -15.306 5.714 1.00 0.00 C ATOM 1197 C LYS A 72 5.495 -14.088 4.974 1.00 0.00 C ATOM 1198 O LYS A 72 6.245 -13.355 4.332 1.00 0.00 O ATOM 1199 CB LYS A 72 6.056 -16.518 4.780 1.00 0.00 C ATOM 1200 CG LYS A 72 6.636 -17.770 5.417 1.00 0.00 C ATOM 1201 CD LYS A 72 5.913 -19.022 4.943 1.00 0.00 C ATOM 1202 CE LYS A 72 6.287 -20.232 5.783 1.00 0.00 C ATOM 1203 NZ LYS A 72 7.699 -20.649 5.558 1.00 0.00 N ATOM 0 H LYS A 72 4.586 -16.371 6.791 1.00 0.00 H new ATOM 0 HA LYS A 72 7.056 -15.087 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.038 -16.727 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.635 -16.272 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.696 -17.846 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.563 -17.695 6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.836 -18.862 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.159 -19.212 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.140 -20.001 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.621 -21.061 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.915 -21.477 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.833 -20.894 4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.336 -19.867 5.811 1.00 0.00 H new ATOM 1217 N GLU A 73 4.185 -13.877 5.067 1.00 0.00 N ATOM 1218 CA GLU A 73 3.542 -12.747 4.405 1.00 0.00 C ATOM 1219 C GLU A 73 3.733 -11.460 5.202 1.00 0.00 C ATOM 1220 O GLU A 73 3.799 -10.371 4.631 1.00 0.00 O ATOM 1221 CB GLU A 73 2.048 -13.024 4.217 1.00 0.00 C ATOM 1222 CG GLU A 73 1.753 -14.395 3.632 1.00 0.00 C ATOM 1223 CD GLU A 73 2.046 -14.470 2.145 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.933 -13.726 1.677 1.00 0.00 O ATOM 1225 OE2 GLU A 73 1.389 -15.272 1.450 1.00 0.00 O ATOM 0 H GLU A 73 3.548 -14.474 5.595 1.00 0.00 H new ATOM 0 HA GLU A 73 4.011 -12.619 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.546 -12.933 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.625 -12.261 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.348 -15.144 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.706 -14.642 3.805 1.00 0.00 H new ATOM 1232 N ILE A 74 3.816 -11.589 6.522 1.00 0.00 N ATOM 1233 CA ILE A 74 3.995 -10.433 7.396 1.00 0.00 C ATOM 1234 C ILE A 74 5.142 -9.537 6.924 1.00 0.00 C ATOM 1235 O ILE A 74 4.957 -8.333 6.744 1.00 0.00 O ATOM 1236 CB ILE A 74 4.250 -10.860 8.858 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.184 -11.856 9.324 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.274 -9.641 9.768 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.765 -11.387 9.086 1.00 0.00 C ATOM 0 H ILE A 74 3.762 -12.482 7.011 1.00 0.00 H new ATOM 0 HA ILE A 74 3.065 -9.866 7.349 1.00 0.00 H new ATOM 0 HB ILE A 74 5.222 -11.351 8.909 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.335 -12.804 8.807 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.320 -12.048 10.388 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.455 -9.957 10.795 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.069 -8.966 9.451 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.316 -9.125 9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.067 -12.145 9.442 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.595 -10.455 9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.610 -11.223 8.020 1.00 0.00 H new ATOM 1251 N PRO A 75 6.346 -10.104 6.718 1.00 0.00 N ATOM 1252 CA PRO A 75 7.511 -9.330 6.269 1.00 0.00 C ATOM 1253 C PRO A 75 7.338 -8.772 4.858 1.00 0.00 C ATOM 1254 O PRO A 75 8.098 -7.903 4.430 1.00 0.00 O ATOM 1255 CB PRO A 75 8.657 -10.347 6.302 1.00 0.00 C ATOM 1256 CG PRO A 75 7.991 -11.674 6.197 1.00 0.00 C ATOM 1257 CD PRO A 75 6.675 -11.530 6.907 1.00 0.00 C ATOM 0 HA PRO A 75 7.679 -8.457 6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.352 -10.187 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.232 -10.265 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.844 -11.956 5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.599 -12.454 6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.912 -12.180 6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.756 -11.788 7.963 1.00 0.00 H new ATOM 1265 N ARG A 76 6.339 -9.274 4.136 1.00 0.00 N ATOM 1266 CA ARG A 76 6.082 -8.819 2.774 1.00 0.00 C ATOM 1267 C ARG A 76 4.950 -7.791 2.729 1.00 0.00 C ATOM 1268 O ARG A 76 4.545 -7.353 1.652 1.00 0.00 O ATOM 1269 CB ARG A 76 5.736 -10.007 1.876 1.00 0.00 C ATOM 1270 CG ARG A 76 6.753 -11.135 1.938 1.00 0.00 C ATOM 1271 CD ARG A 76 6.725 -11.982 0.676 1.00 0.00 C ATOM 1272 NE ARG A 76 6.023 -13.247 0.880 1.00 0.00 N ATOM 1273 CZ ARG A 76 6.582 -14.329 1.417 1.00 0.00 C ATOM 1274 NH1 ARG A 76 7.849 -14.306 1.811 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.869 -15.439 1.561 1.00 0.00 N ATOM 0 H ARG A 76 5.697 -9.993 4.470 1.00 0.00 H new ATOM 0 HA ARG A 76 6.991 -8.340 2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.758 -10.395 2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.653 -9.661 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.751 -10.719 2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.547 -11.764 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.240 -11.423 -0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.746 -12.182 0.351 1.00 0.00 H new ATOM 0 HE ARG A 76 5.046 -13.304 0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.401 -13.455 1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.271 -15.139 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.895 -15.462 1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.295 -16.269 1.972 1.00 0.00 H new ATOM 1289 N ILE A 77 4.440 -7.410 3.898 1.00 0.00 N ATOM 1290 CA ILE A 77 3.357 -6.436 3.977 1.00 0.00 C ATOM 1291 C ILE A 77 3.838 -5.128 4.601 1.00 0.00 C ATOM 1292 O ILE A 77 4.551 -5.134 5.604 1.00 0.00 O ATOM 1293 CB ILE A 77 2.169 -6.986 4.794 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.653 -8.282 4.167 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.052 -5.952 4.885 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.962 -9.200 5.153 1.00 0.00 C ATOM 0 H ILE A 77 4.759 -7.761 4.801 1.00 0.00 H new ATOM 0 HA ILE A 77 3.025 -6.243 2.957 1.00 0.00 H new ATOM 0 HB ILE A 77 2.514 -7.201 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.958 -8.036 3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.489 -8.814 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.224 -6.360 5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.428 -5.052 5.373 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.704 -5.703 3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.623 -10.098 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.660 -9.477 5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.105 -8.687 5.589 1.00 0.00 H new ATOM 1308 N PHE A 78 3.435 -4.011 4.004 1.00 0.00 N ATOM 1309 CA PHE A 78 3.820 -2.696 4.505 1.00 0.00 C ATOM 1310 C PHE A 78 2.603 -1.788 4.645 1.00 0.00 C ATOM 1311 O PHE A 78 1.600 -1.967 3.954 1.00 0.00 O ATOM 1312 CB PHE A 78 4.858 -2.049 3.583 1.00 0.00 C ATOM 1313 CG PHE A 78 4.495 -2.101 2.125 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.578 -3.290 1.418 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.079 -0.958 1.462 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.250 -3.338 0.075 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.750 -1.000 0.121 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.836 -2.191 -0.574 1.00 0.00 C ATOM 0 H PHE A 78 2.843 -3.990 3.174 1.00 0.00 H new ATOM 0 HA PHE A 78 4.264 -2.831 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.992 -1.008 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.817 -2.547 3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.902 -4.189 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.011 -0.024 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.317 -4.271 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.426 -0.102 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.580 -2.225 -1.623 1.00 0.00 H new ATOM 1328 N GLN A 79 2.693 -0.818 5.552 1.00 0.00 N ATOM 1329 CA GLN A 79 1.593 0.111 5.790 1.00 0.00 C ATOM 1330 C GLN A 79 2.003 1.547 5.472 1.00 0.00 C ATOM 1331 O GLN A 79 3.134 1.956 5.735 1.00 0.00 O ATOM 1332 CB GLN A 79 1.127 0.012 7.245 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.014 0.957 7.586 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.180 1.154 9.081 1.00 0.00 C ATOM 1335 OE1 GLN A 79 0.208 2.185 9.630 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -0.758 0.161 9.748 1.00 0.00 N ATOM 0 H GLN A 79 3.515 -0.656 6.133 1.00 0.00 H new ATOM 0 HA GLN A 79 0.772 -0.163 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.812 -1.012 7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.970 0.222 7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.165 1.923 7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.942 0.566 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.064 -0.676 9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.895 0.236 10.756 1.00 0.00 H new ATOM 1345 N ILE A 80 1.066 2.306 4.909 1.00 0.00 N ATOM 1346 CA ILE A 80 1.315 3.700 4.556 1.00 0.00 C ATOM 1347 C ILE A 80 0.242 4.610 5.145 1.00 0.00 C ATOM 1348 O ILE A 80 -0.929 4.522 4.775 1.00 0.00 O ATOM 1349 CB ILE A 80 1.354 3.893 3.026 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.340 2.911 2.390 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.726 5.326 2.678 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.818 2.264 1.125 1.00 0.00 C ATOM 0 H ILE A 80 0.126 1.978 4.687 1.00 0.00 H new ATOM 0 HA ILE A 80 2.286 3.967 4.972 1.00 0.00 H new ATOM 0 HB ILE A 80 0.360 3.691 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.268 3.436 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.582 2.132 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.749 5.443 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.987 6.007 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.709 5.557 3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.569 1.581 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.906 1.711 1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.602 3.034 0.385 1.00 0.00 H new ATOM 1364 N LEU A 81 0.645 5.483 6.062 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.289 6.406 6.700 1.00 0.00 C ATOM 1366 C LEU A 81 -0.383 7.715 5.924 1.00 0.00 C ATOM 1367 O LEU A 81 0.625 8.255 5.471 1.00 0.00 O ATOM 1368 CB LEU A 81 0.140 6.690 8.141 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.755 7.674 8.898 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.030 6.988 9.367 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.005 8.283 10.074 1.00 0.00 C ATOM 0 H LEU A 81 1.610 5.571 6.380 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.272 5.934 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.165 5.748 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.158 7.080 8.131 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.033 8.479 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.653 7.704 9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.576 6.606 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.776 6.161 10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.657 8.980 10.600 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.306 7.492 10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.874 8.814 9.709 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.603 8.221 5.778 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.832 9.470 5.061 1.00 0.00 C ATOM 1385 C TYR A 82 -2.996 10.243 5.672 1.00 0.00 C ATOM 1386 O TYR A 82 -3.957 9.652 6.162 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.108 9.199 3.581 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.031 8.027 3.336 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -4.363 8.071 3.729 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -2.570 6.876 2.710 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -5.209 7.001 3.504 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -3.409 5.802 2.483 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.728 5.871 2.882 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.567 4.803 2.657 1.00 0.00 O ATOM 0 H TYR A 82 -2.448 7.785 6.147 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.929 10.075 5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.544 10.092 3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.161 9.016 3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.744 8.955 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.538 6.820 2.395 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.242 7.051 3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.035 4.914 1.996 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.484 5.127 2.536 1.00 0.00 H new ATOM 1404 N ALA A 83 -2.902 11.568 5.639 1.00 0.00 N ATOM 1405 CA ALA A 83 -3.948 12.422 6.188 1.00 0.00 C ATOM 1406 C ALA A 83 -5.169 12.448 5.274 1.00 0.00 C ATOM 1407 O ALA A 83 -5.081 12.860 4.117 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.416 13.832 6.405 1.00 0.00 C ATOM 0 H ALA A 83 -2.112 12.073 5.238 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.255 12.010 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.207 14.460 6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.578 13.802 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.081 14.245 5.453 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.306 12.007 5.800 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.543 11.981 5.029 1.00 0.00 C ATOM 1416 C ASN A 84 -8.349 13.258 5.251 1.00 0.00 C ATOM 1417 O ASN A 84 -8.897 13.831 4.309 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.379 10.752 5.408 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.103 10.917 6.732 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -8.465 10.485 7.813 1.00 0.00 O flip ATOM 1421 ND2 ASN A 84 -10.222 11.427 6.781 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.397 11.663 6.756 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.285 11.920 3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.109 10.559 4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.729 9.879 5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.675 11.745 5.925 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.696 11.531 7.678 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.419 13.697 6.504 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.160 14.905 6.851 1.00 0.00 C ATOM 1430 C GLU A 85 -8.279 15.882 7.626 1.00 0.00 C ATOM 1431 O GLU A 85 -8.286 17.083 7.361 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.396 14.550 7.679 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.533 13.966 6.856 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.607 14.987 6.537 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.256 15.482 7.484 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -12.801 15.293 5.342 1.00 0.00 O ATOM 0 H GLU A 85 -7.972 13.235 7.296 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.476 15.385 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.113 13.834 8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.751 15.446 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.133 13.562 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.979 13.133 7.399 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.523 15.356 8.584 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.651 16.194 9.381 1.00 0.00 C ATOM 1445 C GLY A 86 -5.333 15.519 9.704 1.00 0.00 C ATOM 1446 O GLY A 86 -4.418 15.503 8.879 1.00 0.00 O ATOM 0 H GLY A 86 -7.500 14.364 8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.458 17.124 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.157 16.459 10.309 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.232 14.961 10.906 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.013 14.283 11.333 1.00 0.00 C ATOM 1452 C ILE A 87 -4.335 12.978 12.054 1.00 0.00 C ATOM 1453 O ILE A 87 -4.024 11.892 11.564 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.163 15.169 12.268 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.267 16.640 11.859 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.711 14.714 12.252 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.394 17.380 12.547 1.00 0.00 C ATOM 0 H ILE A 87 -5.979 14.965 11.601 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.442 14.072 10.429 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.548 15.068 13.283 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.324 17.139 12.084 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.409 16.700 10.780 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.124 15.348 12.916 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.650 13.680 12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.318 14.788 11.238 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.408 18.416 12.210 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.344 16.906 12.301 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.243 17.352 13.626 1.00 0.00 H new ATOM 1469 N SER A 88 -4.956 13.093 13.224 1.00 0.00 N ATOM 1470 CA SER A 88 -5.318 11.925 14.018 1.00 0.00 C ATOM 1471 C SER A 88 -6.222 10.982 13.228 1.00 0.00 C ATOM 1472 O SER A 88 -6.164 9.765 13.401 1.00 0.00 O ATOM 1473 CB SER A 88 -6.018 12.359 15.308 1.00 0.00 C ATOM 1474 OG SER A 88 -6.402 11.234 16.083 1.00 0.00 O ATOM 0 H SER A 88 -5.219 13.985 13.643 1.00 0.00 H new ATOM 0 HA SER A 88 -4.402 11.391 14.269 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.352 12.996 15.890 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.898 12.955 15.065 1.00 0.00 H new ATOM 0 HG SER A 88 -6.846 11.537 16.902 1.00 0.00 H new ATOM 1480 N SER A 89 -7.052 11.552 12.363 1.00 0.00 N ATOM 1481 CA SER A 89 -7.967 10.759 11.547 1.00 0.00 C ATOM 1482 C SER A 89 -7.228 10.064 10.407 1.00 0.00 C ATOM 1483 O SER A 89 -7.721 9.087 9.843 1.00 0.00 O ATOM 1484 CB SER A 89 -9.080 11.643 10.983 1.00 0.00 C ATOM 1485 OG SER A 89 -9.794 12.290 12.023 1.00 0.00 O ATOM 0 H SER A 89 -7.111 12.558 12.208 1.00 0.00 H new ATOM 0 HA SER A 89 -8.407 9.994 12.187 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.652 12.389 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.765 11.037 10.390 1.00 0.00 H new ATOM 0 HG SER A 89 -10.499 12.850 11.636 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.046 10.578 10.067 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.233 10.014 8.989 1.00 0.00 C ATOM 1493 C ALA A 90 -5.251 8.488 9.006 1.00 0.00 C ATOM 1494 O ALA A 90 -4.801 7.863 9.966 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.804 10.525 9.092 1.00 0.00 C ATOM 0 H ALA A 90 -5.628 11.388 10.525 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.665 10.337 8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.207 10.100 8.286 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.800 11.612 9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.380 10.230 10.052 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.778 7.897 7.939 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.860 6.446 7.830 1.00 0.00 C ATOM 1503 C LYS A 91 -4.573 5.869 7.252 1.00 0.00 C ATOM 1504 O LYS A 91 -3.623 6.600 6.973 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.050 6.048 6.953 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.371 6.637 7.418 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.739 6.151 8.811 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.965 5.252 8.784 1.00 0.00 C ATOM 1509 NZ LYS A 91 -9.709 3.986 8.042 1.00 0.00 N ATOM 0 H LYS A 91 -6.155 8.402 7.137 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.001 6.039 8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.859 6.368 5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.132 4.961 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.306 7.725 7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.159 6.364 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.898 5.608 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.929 7.008 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.267 5.020 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.795 5.784 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.564 3.394 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.462 4.205 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.923 3.474 8.490 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.551 4.552 7.075 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.381 3.873 6.530 1.00 0.00 C ATOM 1525 C ASN A 92 -3.787 2.873 5.453 1.00 0.00 C ATOM 1526 O ASN A 92 -4.968 2.561 5.294 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.603 3.162 7.641 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.502 2.610 8.734 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.477 1.793 8.347 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.322 2.913 9.912 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.330 3.934 7.301 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.736 4.626 6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.024 2.346 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.890 3.859 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.562 3.544 10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.933 2.534 10.635 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.803 2.374 4.713 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.059 1.410 3.649 1.00 0.00 C ATOM 1539 C LEU A 93 -2.135 0.202 3.770 1.00 0.00 C ATOM 1540 O LEU A 93 -0.913 0.336 3.706 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.878 2.071 2.281 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.072 1.944 1.334 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.128 3.132 0.385 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.995 0.640 0.554 1.00 0.00 C ATOM 0 H LEU A 93 -1.820 2.621 4.830 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.088 1.065 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.665 3.129 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.003 1.636 1.798 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.986 1.936 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.984 3.025 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.229 4.053 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.212 3.171 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.852 0.565 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.075 0.619 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.002 -0.200 1.248 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.726 -0.975 3.935 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.951 -2.204 4.053 1.00 0.00 C ATOM 1558 C LEU A 94 -1.816 -2.874 2.692 1.00 0.00 C ATOM 1559 O LEU A 94 -2.814 -3.183 2.041 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.617 -3.158 5.049 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.443 -2.784 6.523 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.034 -3.112 6.993 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.749 -1.309 6.739 1.00 0.00 C ATOM 0 H LEU A 94 -3.736 -1.105 3.990 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.956 -1.955 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.683 -3.205 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.214 -4.159 4.894 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.147 -3.371 7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.928 -2.840 8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.850 -4.180 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.312 -2.552 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.620 -1.061 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.069 -0.705 6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.777 -1.103 6.441 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.579 -3.085 2.260 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.323 -3.704 0.969 1.00 0.00 C ATOM 1577 C LEU A 95 0.578 -4.926 1.105 1.00 0.00 C ATOM 1578 O LEU A 95 1.726 -4.822 1.539 1.00 0.00 O ATOM 1579 CB LEU A 95 0.310 -2.683 0.027 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.521 -1.419 -0.200 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.111 -0.554 -1.274 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.951 -1.780 -0.579 1.00 0.00 C ATOM 0 H LEU A 95 0.260 -2.837 2.784 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.274 -4.040 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.282 -2.395 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.490 -3.161 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.545 -0.852 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.493 0.341 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.116 -0.266 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.165 -1.114 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.527 -0.868 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.947 -2.369 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.404 -2.361 0.224 1.00 0.00 H new ATOM 1594 N LEU A 96 0.047 -6.083 0.725 1.00 0.00 N ATOM 1595 CA LEU A 96 0.795 -7.332 0.794 1.00 0.00 C ATOM 1596 C LEU A 96 1.577 -7.557 -0.498 1.00 0.00 C ATOM 1597 O LEU A 96 1.009 -7.531 -1.590 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.163 -8.502 1.055 1.00 0.00 C ATOM 1599 CG LEU A 96 0.391 -9.899 0.754 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.185 -10.425 1.938 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.741 -10.853 0.402 1.00 0.00 C ATOM 0 H LEU A 96 -0.902 -6.181 0.365 1.00 0.00 H new ATOM 0 HA LEU A 96 1.507 -7.272 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.468 -8.471 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.061 -8.352 0.456 1.00 0.00 H new ATOM 0 HG LEU A 96 1.062 -9.828 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.570 -11.418 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.017 -9.752 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.538 -10.483 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.332 -11.841 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.435 -10.919 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.268 -10.483 -0.477 1.00 0.00 H new ATOM 1613 N ALA A 97 2.880 -7.774 -0.365 1.00 0.00 N ATOM 1614 CA ALA A 97 3.736 -8.003 -1.522 1.00 0.00 C ATOM 1615 C ALA A 97 4.019 -9.489 -1.712 1.00 0.00 C ATOM 1616 O ALA A 97 4.243 -10.218 -0.746 1.00 0.00 O ATOM 1617 CB ALA A 97 5.040 -7.228 -1.371 1.00 0.00 C ATOM 0 H ALA A 97 3.366 -7.796 0.531 1.00 0.00 H new ATOM 0 HA ALA A 97 3.212 -7.646 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.672 -7.406 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.823 -6.163 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.559 -7.560 -0.472 1.00 0.00 H new ATOM 1623 N ASN A 98 4.011 -9.932 -2.965 1.00 0.00 N ATOM 1624 CA ASN A 98 4.270 -11.332 -3.281 1.00 0.00 C ATOM 1625 C ASN A 98 5.639 -11.762 -2.758 1.00 0.00 C ATOM 1626 O ASN A 98 5.868 -12.941 -2.489 1.00 0.00 O ATOM 1627 CB ASN A 98 4.196 -11.557 -4.792 1.00 0.00 C ATOM 1628 CG ASN A 98 4.999 -10.535 -5.571 1.00 0.00 C ATOM 1629 OD1 ASN A 98 6.217 -10.658 -5.707 1.00 0.00 O ATOM 1630 ND2 ASN A 98 4.320 -9.516 -6.086 1.00 0.00 N ATOM 0 H ASN A 98 3.828 -9.343 -3.777 1.00 0.00 H new ATOM 0 HA ASN A 98 3.506 -11.937 -2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.562 -12.557 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.155 -11.516 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.807 -8.796 -6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.311 -9.454 -5.949 1.00 0.00 H new ATOM 1637 N SER A 99 6.543 -10.798 -2.616 1.00 0.00 N ATOM 1638 CA SER A 99 7.887 -11.077 -2.124 1.00 0.00 C ATOM 1639 C SER A 99 8.340 -9.996 -1.147 1.00 0.00 C ATOM 1640 O SER A 99 7.944 -8.836 -1.264 1.00 0.00 O ATOM 1641 CB SER A 99 8.870 -11.171 -3.293 1.00 0.00 C ATOM 1642 OG SER A 99 9.060 -12.517 -3.692 1.00 0.00 O ATOM 0 H SER A 99 6.369 -9.817 -2.835 1.00 0.00 H new ATOM 0 HA SER A 99 7.867 -12.032 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.496 -10.588 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.827 -10.736 -3.004 1.00 0.00 H new ATOM 0 HG SER A 99 9.691 -12.550 -4.441 1.00 0.00 H new ATOM 1648 N THR A 100 9.172 -10.384 -0.186 1.00 0.00 N ATOM 1649 CA THR A 100 9.678 -9.447 0.811 1.00 0.00 C ATOM 1650 C THR A 100 10.408 -8.286 0.145 1.00 0.00 C ATOM 1651 O THR A 100 10.210 -7.126 0.503 1.00 0.00 O ATOM 1652 CB THR A 100 10.622 -10.160 1.779 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.281 -11.531 1.896 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.617 -9.563 3.169 1.00 0.00 C ATOM 0 H THR A 100 9.510 -11.340 -0.076 1.00 0.00 H new ATOM 0 HA THR A 100 8.826 -9.052 1.365 1.00 0.00 H new ATOM 0 HB THR A 100 11.618 -10.037 1.353 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.780 -12.050 1.231 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.308 -10.116 3.805 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.927 -8.519 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.612 -9.623 3.587 1.00 0.00 H new ATOM 1662 N GLU A 101 11.254 -8.610 -0.827 1.00 0.00 N ATOM 1663 CA GLU A 101 12.021 -7.600 -1.547 1.00 0.00 C ATOM 1664 C GLU A 101 11.107 -6.517 -2.113 1.00 0.00 C ATOM 1665 O GLU A 101 11.461 -5.338 -2.129 1.00 0.00 O ATOM 1666 CB GLU A 101 12.821 -8.248 -2.677 1.00 0.00 C ATOM 1667 CG GLU A 101 13.673 -9.423 -2.224 1.00 0.00 C ATOM 1668 CD GLU A 101 14.612 -9.912 -3.308 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.119 -10.444 -4.326 1.00 0.00 O ATOM 1670 OE2 GLU A 101 15.842 -9.764 -3.142 1.00 0.00 O ATOM 0 H GLU A 101 11.426 -9.567 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 101 12.709 -7.135 -0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.132 -8.587 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.466 -7.496 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.254 -9.130 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.023 -10.241 -1.915 1.00 0.00 H new ATOM 1677 N GLU A 102 9.929 -6.925 -2.575 1.00 0.00 N ATOM 1678 CA GLU A 102 8.965 -5.988 -3.139 1.00 0.00 C ATOM 1679 C GLU A 102 8.543 -4.954 -2.101 1.00 0.00 C ATOM 1680 O GLU A 102 8.422 -3.768 -2.404 1.00 0.00 O ATOM 1681 CB GLU A 102 7.738 -6.737 -3.660 1.00 0.00 C ATOM 1682 CG GLU A 102 7.091 -6.080 -4.869 1.00 0.00 C ATOM 1683 CD GLU A 102 7.358 -6.837 -6.156 1.00 0.00 C ATOM 1684 OE1 GLU A 102 8.527 -6.870 -6.594 1.00 0.00 O ATOM 1685 OE2 GLU A 102 6.398 -7.396 -6.726 1.00 0.00 O ATOM 0 H GLU A 102 9.620 -7.897 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 102 9.443 -5.469 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.028 -7.755 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.001 -6.811 -2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.015 -6.012 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.464 -5.061 -4.967 1.00 0.00 H new ATOM 1692 N GLN A 103 8.320 -5.415 -0.874 1.00 0.00 N ATOM 1693 CA GLN A 103 7.910 -4.533 0.213 1.00 0.00 C ATOM 1694 C GLN A 103 9.006 -3.518 0.530 1.00 0.00 C ATOM 1695 O GLN A 103 8.720 -2.372 0.882 1.00 0.00 O ATOM 1696 CB GLN A 103 7.572 -5.355 1.461 1.00 0.00 C ATOM 1697 CG GLN A 103 7.357 -4.518 2.713 1.00 0.00 C ATOM 1698 CD GLN A 103 8.523 -4.605 3.679 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.089 -5.677 3.893 1.00 0.00 O ATOM 1700 NE2 GLN A 103 8.889 -3.473 4.267 1.00 0.00 N ATOM 0 H GLN A 103 8.416 -6.395 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 103 7.020 -3.988 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.672 -5.938 1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.378 -6.065 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.203 -3.477 2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.448 -4.849 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.392 -2.607 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.668 -3.469 4.926 1.00 0.00 H new ATOM 1709 N GLN A 104 10.259 -3.943 0.406 1.00 0.00 N ATOM 1710 CA GLN A 104 11.392 -3.064 0.681 1.00 0.00 C ATOM 1711 C GLN A 104 11.499 -1.974 -0.379 1.00 0.00 C ATOM 1712 O GLN A 104 11.753 -0.810 -0.065 1.00 0.00 O ATOM 1713 CB GLN A 104 12.704 -3.857 0.737 1.00 0.00 C ATOM 1714 CG GLN A 104 12.552 -5.290 1.230 1.00 0.00 C ATOM 1715 CD GLN A 104 11.722 -5.395 2.493 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.494 -4.403 3.187 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.265 -6.603 2.798 1.00 0.00 N ATOM 0 H GLN A 104 10.516 -4.887 0.118 1.00 0.00 H new ATOM 0 HA GLN A 104 11.221 -2.601 1.653 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.147 -3.873 -0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.403 -3.334 1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.090 -5.891 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.540 -5.712 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.479 -7.397 2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.700 -6.738 3.637 1.00 0.00 H new ATOM 1726 N LYS A 105 11.307 -2.360 -1.636 1.00 0.00 N ATOM 1727 CA LYS A 105 11.384 -1.418 -2.746 1.00 0.00 C ATOM 1728 C LYS A 105 10.169 -0.495 -2.768 1.00 0.00 C ATOM 1729 O LYS A 105 10.305 0.720 -2.891 1.00 0.00 O ATOM 1730 CB LYS A 105 11.490 -2.172 -4.075 1.00 0.00 C ATOM 1731 CG LYS A 105 11.379 -1.274 -5.300 1.00 0.00 C ATOM 1732 CD LYS A 105 11.457 -2.075 -6.589 1.00 0.00 C ATOM 1733 CE LYS A 105 10.075 -2.467 -7.086 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.140 -3.218 -8.371 1.00 0.00 N ATOM 0 H LYS A 105 11.097 -3.319 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 105 12.276 -0.807 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.443 -2.700 -4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.706 -2.928 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.437 -0.727 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.178 -0.533 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.967 -1.488 -7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 105 12.054 -2.972 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.578 -3.078 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.469 -1.571 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.178 -3.467 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.591 -2.626 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.697 -4.086 -8.238 1.00 0.00 H new ATOM 1748 N TRP A 106 8.981 -1.082 -2.657 1.00 0.00 N ATOM 1749 CA TRP A 106 7.746 -0.307 -2.676 1.00 0.00 C ATOM 1750 C TRP A 106 7.746 0.765 -1.591 1.00 0.00 C ATOM 1751 O TRP A 106 7.482 1.937 -1.859 1.00 0.00 O ATOM 1752 CB TRP A 106 6.539 -1.223 -2.501 1.00 0.00 C ATOM 1753 CG TRP A 106 5.820 -1.477 -3.785 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.074 -2.477 -4.671 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.747 -0.710 -4.339 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.209 -2.395 -5.736 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.388 -1.318 -5.556 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.049 0.425 -3.923 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.364 -0.825 -6.360 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.033 0.912 -4.725 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.700 0.285 -5.929 1.00 0.00 C ATOM 0 H TRP A 106 8.848 -2.088 -2.553 1.00 0.00 H new ATOM 0 HA TRP A 106 7.682 0.189 -3.645 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.867 -2.173 -2.078 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.849 -0.776 -1.785 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.843 -3.226 -4.555 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.184 -3.034 -6.531 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.298 0.914 -2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.105 -1.305 -7.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.488 1.791 -4.416 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.899 0.689 -6.531 1.00 0.00 H new ATOM 1772 N VAL A 107 8.036 0.350 -0.362 1.00 0.00 N ATOM 1773 CA VAL A 107 8.062 1.267 0.771 1.00 0.00 C ATOM 1774 C VAL A 107 9.184 2.293 0.638 1.00 0.00 C ATOM 1775 O VAL A 107 8.958 3.493 0.791 1.00 0.00 O ATOM 1776 CB VAL A 107 8.231 0.502 2.100 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.231 1.461 3.282 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.138 -0.545 2.255 1.00 0.00 C ATOM 0 H VAL A 107 8.257 -0.617 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 107 7.106 1.790 0.774 1.00 0.00 H new ATOM 0 HB VAL A 107 9.194 -0.007 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.351 0.898 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.054 2.167 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.287 2.005 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.273 -1.075 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.163 -0.057 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.194 -1.254 1.429 1.00 0.00 H new ATOM 1788 N SER A 108 10.392 1.815 0.366 1.00 0.00 N ATOM 1789 CA SER A 108 11.549 2.692 0.227 1.00 0.00 C ATOM 1790 C SER A 108 11.378 3.670 -0.933 1.00 0.00 C ATOM 1791 O SER A 108 11.813 4.820 -0.853 1.00 0.00 O ATOM 1792 CB SER A 108 12.819 1.863 0.025 1.00 0.00 C ATOM 1793 OG SER A 108 13.171 1.172 1.212 1.00 0.00 O ATOM 0 H SER A 108 10.597 0.824 0.237 1.00 0.00 H new ATOM 0 HA SER A 108 11.636 3.272 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.666 1.148 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.639 2.515 -0.277 1.00 0.00 H new ATOM 0 HG SER A 108 12.806 0.263 1.182 1.00 0.00 H new ATOM 1799 N ARG A 109 10.752 3.212 -2.011 1.00 0.00 N ATOM 1800 CA ARG A 109 10.537 4.057 -3.181 1.00 0.00 C ATOM 1801 C ARG A 109 9.420 5.068 -2.932 1.00 0.00 C ATOM 1802 O ARG A 109 9.609 6.273 -3.110 1.00 0.00 O ATOM 1803 CB ARG A 109 10.203 3.199 -4.402 1.00 0.00 C ATOM 1804 CG ARG A 109 11.421 2.562 -5.052 1.00 0.00 C ATOM 1805 CD ARG A 109 11.993 3.442 -6.153 1.00 0.00 C ATOM 1806 NE ARG A 109 12.311 2.675 -7.356 1.00 0.00 N ATOM 1807 CZ ARG A 109 11.420 2.359 -8.293 1.00 0.00 C ATOM 1808 NH1 ARG A 109 10.153 2.739 -8.173 1.00 0.00 N ATOM 1809 NH2 ARG A 109 11.797 1.660 -9.357 1.00 0.00 N ATOM 0 H ARG A 109 10.386 2.264 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 109 11.459 4.606 -3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.508 2.414 -4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.689 3.816 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.185 2.382 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.147 1.592 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.276 4.225 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 109 12.893 3.938 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 109 13.274 2.363 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.857 3.277 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.476 2.493 -8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.769 1.366 -9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.115 1.417 -10.076 1.00 0.00 H new ATOM 1823 N LEU A 110 8.257 4.571 -2.526 1.00 0.00 N ATOM 1824 CA LEU A 110 7.109 5.431 -2.262 1.00 0.00 C ATOM 1825 C LEU A 110 7.420 6.448 -1.166 1.00 0.00 C ATOM 1826 O LEU A 110 6.996 7.601 -1.242 1.00 0.00 O ATOM 1827 CB LEU A 110 5.889 4.590 -1.873 1.00 0.00 C ATOM 1828 CG LEU A 110 5.925 3.992 -0.464 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.436 5.007 0.560 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.086 2.724 -0.404 1.00 0.00 C ATOM 0 H LEU A 110 8.084 3.578 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 110 6.884 5.978 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.998 5.211 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.785 3.777 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 110 6.957 3.734 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.469 4.564 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.077 5.888 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.412 5.296 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.122 2.311 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.054 2.958 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.481 1.993 -1.110 1.00 0.00 H new ATOM 1842 N VAL A 111 8.162 6.017 -0.152 1.00 0.00 N ATOM 1843 CA VAL A 111 8.524 6.901 0.951 1.00 0.00 C ATOM 1844 C VAL A 111 9.546 7.939 0.501 1.00 0.00 C ATOM 1845 O VAL A 111 9.451 9.114 0.856 1.00 0.00 O ATOM 1846 CB VAL A 111 9.085 6.110 2.151 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.460 5.540 1.835 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.135 6.988 3.392 1.00 0.00 C ATOM 0 H VAL A 111 8.523 5.067 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 111 7.613 7.408 1.268 1.00 0.00 H new ATOM 0 HB VAL A 111 8.415 5.273 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.832 4.987 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.388 4.870 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.147 6.354 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.533 6.414 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.778 7.848 3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.130 7.333 3.635 1.00 0.00 H new ATOM 1858 N LYS A 112 10.520 7.497 -0.289 1.00 0.00 N ATOM 1859 CA LYS A 112 11.555 8.388 -0.794 1.00 0.00 C ATOM 1860 C LYS A 112 10.940 9.488 -1.652 1.00 0.00 C ATOM 1861 O LYS A 112 11.471 10.596 -1.734 1.00 0.00 O ATOM 1862 CB LYS A 112 12.582 7.601 -1.610 1.00 0.00 C ATOM 1863 CG LYS A 112 13.796 7.168 -0.805 1.00 0.00 C ATOM 1864 CD LYS A 112 15.000 6.926 -1.699 1.00 0.00 C ATOM 1865 CE LYS A 112 15.561 8.229 -2.245 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.127 8.063 -3.612 1.00 0.00 N ATOM 0 H LYS A 112 10.613 6.528 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 112 12.058 8.848 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.101 6.718 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.912 8.213 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.037 7.934 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.562 6.257 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.773 6.404 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.715 6.277 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.773 8.982 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.336 8.599 -1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.499 8.975 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.896 7.364 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.382 7.734 -4.259 1.00 0.00 H new ATOM 1880 N LYS A 113 9.814 9.176 -2.285 1.00 0.00 N ATOM 1881 CA LYS A 113 9.121 10.138 -3.135 1.00 0.00 C ATOM 1882 C LYS A 113 8.422 11.205 -2.295 1.00 0.00 C ATOM 1883 O LYS A 113 8.099 12.284 -2.792 1.00 0.00 O ATOM 1884 CB LYS A 113 8.101 9.425 -4.022 1.00 0.00 C ATOM 1885 CG LYS A 113 8.707 8.334 -4.891 1.00 0.00 C ATOM 1886 CD LYS A 113 8.907 8.809 -6.322 1.00 0.00 C ATOM 1887 CE LYS A 113 7.784 8.334 -7.229 1.00 0.00 C ATOM 1888 NZ LYS A 113 8.239 8.176 -8.639 1.00 0.00 N ATOM 0 H LYS A 113 9.361 8.264 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 113 9.864 10.626 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.327 8.988 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.613 10.159 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.664 8.023 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.057 7.459 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.956 9.898 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.861 8.440 -6.699 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.399 7.382 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.960 9.047 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.433 7.900 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.630 9.077 -8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.973 7.440 -8.687 1.00 0.00 H new ATOM 1902 N ILE A 114 8.188 10.896 -1.022 1.00 0.00 N ATOM 1903 CA ILE A 114 7.525 11.830 -0.121 1.00 0.00 C ATOM 1904 C ILE A 114 8.367 13.088 0.088 1.00 0.00 C ATOM 1905 O ILE A 114 9.588 13.008 0.222 1.00 0.00 O ATOM 1906 CB ILE A 114 7.241 11.184 1.249 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.514 9.849 1.069 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.421 12.125 2.120 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.201 9.151 2.376 1.00 0.00 C ATOM 0 H ILE A 114 8.448 10.008 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 114 6.580 12.103 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 114 8.192 10.994 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.584 10.021 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.126 9.191 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.229 11.654 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.973 13.053 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.473 12.343 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.686 8.212 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.129 8.948 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.563 9.790 2.986 1.00 0.00 H new ATOM 1921 N PRO A 115 7.726 14.271 0.124 1.00 0.00 N ATOM 1922 CA PRO A 115 8.427 15.543 0.324 1.00 0.00 C ATOM 1923 C PRO A 115 9.017 15.653 1.725 1.00 0.00 C ATOM 1924 O PRO A 115 10.198 15.952 1.893 1.00 0.00 O ATOM 1925 CB PRO A 115 7.337 16.608 0.126 1.00 0.00 C ATOM 1926 CG PRO A 115 6.177 15.892 -0.478 1.00 0.00 C ATOM 1927 CD PRO A 115 6.277 14.467 -0.021 1.00 0.00 C ATOM 0 HA PRO A 115 9.267 15.650 -0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.062 17.068 1.075 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.686 17.408 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.235 16.338 -0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.205 15.954 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.751 14.307 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.847 13.778 -0.748 1.00 0.00 H new ATOM 1935 N LYS A 116 8.179 15.410 2.726 1.00 0.00 N ATOM 1936 CA LYS A 116 8.605 15.480 4.119 1.00 0.00 C ATOM 1937 C LYS A 116 9.165 14.139 4.587 1.00 0.00 C ATOM 1938 O LYS A 116 8.741 13.600 5.610 1.00 0.00 O ATOM 1939 CB LYS A 116 7.435 15.900 5.011 1.00 0.00 C ATOM 1940 CG LYS A 116 6.299 14.889 5.038 1.00 0.00 C ATOM 1941 CD LYS A 116 4.981 15.541 5.421 1.00 0.00 C ATOM 1942 CE LYS A 116 4.773 15.537 6.926 1.00 0.00 C ATOM 1943 NZ LYS A 116 5.200 16.821 7.549 1.00 0.00 N ATOM 0 H LYS A 116 7.198 15.162 2.598 1.00 0.00 H new ATOM 0 HA LYS A 116 9.395 16.227 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.799 16.052 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.050 16.859 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.203 14.422 4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 116 6.533 14.096 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.961 16.567 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 116 4.159 15.013 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.721 15.359 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 116 5.335 14.714 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 5.042 16.778 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.210 16.979 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.646 17.604 7.146 1.00 0.00 H new ATOM 1957 N LYS A 117 10.117 13.604 3.831 1.00 0.00 N ATOM 1958 CA LYS A 117 10.735 12.326 4.168 1.00 0.00 C ATOM 1959 C LYS A 117 11.526 12.430 5.468 1.00 0.00 C ATOM 1960 O LYS A 117 11.060 11.879 6.487 1.00 0.00 O ATOM 1961 CB LYS A 117 11.653 11.866 3.033 1.00 0.00 C ATOM 1962 CG LYS A 117 12.153 10.439 3.198 1.00 0.00 C ATOM 1963 CD LYS A 117 13.615 10.404 3.615 1.00 0.00 C ATOM 1964 CE LYS A 117 13.892 9.259 4.575 1.00 0.00 C ATOM 1965 NZ LYS A 117 15.332 8.875 4.582 1.00 0.00 N ATOM 1966 OXT LYS A 117 12.604 13.059 5.455 1.00 0.00 O ATOM 0 H LYS A 117 10.478 14.035 2.980 1.00 0.00 H new ATOM 0 HA LYS A 117 9.942 11.591 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.117 11.948 2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.509 12.538 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.548 9.925 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.028 9.898 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 117 14.244 10.300 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.883 11.349 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 117 13.588 9.548 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.288 8.396 4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 15.479 8.091 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 15.616 8.575 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.907 9.691 4.874 1.00 0.00 H new TER 1980 LYS A 117