USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 54 SER OG : rot 174:sc= -3.28! USER MOD Set 1.2: A 56 THR OG1 : rot 73:sc= 1.18 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -162:sc= -0.0266 (180deg=0) USER MOD Set 2.2: A 15 LYS NZ :NH3+ 154:sc= -0.447 (180deg=-0.352) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 5 ASN : amide:sc= -0.0353 K(o=-0.035,f=-1.8!) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0164 (180deg=-0.274) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= -0.228 (180deg=-0.228) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.455 K(o=-0.46,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 122:sc= 1.25 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -78:sc= 0.942 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -5.38! C(o=-5.4!,f=-8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -170:sc= 0.0091 USER MOD Single : A 70 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.22) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.011 (180deg=-0.332) USER MOD Single : A 76 ASN : amide:sc= -6.52! K(o=-6.5!,f=-1.4) USER MOD Single : A 83 ASN : amide:sc= -1.87 K(o=-1.9,f=-6.1!) USER MOD Single : A 87 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 31:sc= 0.442 USER MOD Single : A 93 LYS NZ :NH3+ -127:sc= -1.39 (180deg=-3.77!) USER MOD Single : A 94 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.7!) USER MOD Single : A 95 LYS NZ :NH3+ 153:sc= -0.214 (180deg=-1.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 16.654 -19.741 -15.482 1.00 0.00 N ATOM 2 CA ALA A 2 16.992 -19.995 -16.910 1.00 0.00 C ATOM 3 C ALA A 2 15.725 -20.379 -17.670 1.00 0.00 C ATOM 4 O ALA A 2 14.784 -19.590 -17.764 1.00 0.00 O ATOM 5 CB ALA A 2 18.021 -21.125 -16.995 1.00 0.00 C ATOM 0 HA ALA A 2 17.415 -19.095 -17.356 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.270 -21.313 -18.039 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.922 -20.838 -16.453 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.605 -22.030 -16.553 1.00 0.00 H new ATOM 13 N LEU A 3 15.707 -21.593 -18.210 1.00 0.00 N ATOM 14 CA LEU A 3 14.551 -22.070 -18.960 1.00 0.00 C ATOM 15 C LEU A 3 14.189 -21.077 -20.062 1.00 0.00 C ATOM 16 O LEU A 3 14.713 -19.963 -20.105 1.00 0.00 O ATOM 17 CB LEU A 3 13.357 -22.258 -18.015 1.00 0.00 C ATOM 18 CG LEU A 3 13.524 -23.558 -17.220 1.00 0.00 C ATOM 19 CD1 LEU A 3 14.818 -23.501 -16.398 1.00 0.00 C ATOM 20 CD2 LEU A 3 12.324 -23.737 -16.284 1.00 0.00 C ATOM 0 H LEU A 3 16.475 -22.261 -18.143 1.00 0.00 H new ATOM 0 HA LEU A 3 14.800 -23.027 -19.418 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.284 -21.411 -17.333 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.430 -22.287 -18.587 1.00 0.00 H new ATOM 0 HG LEU A 3 13.577 -24.401 -17.909 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.932 -24.427 -15.835 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.669 -23.376 -17.067 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.773 -22.659 -15.707 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.439 -24.661 -15.717 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.270 -22.893 -15.596 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.408 -23.785 -16.872 1.00 0.00 H new ATOM 32 N GLN A 4 13.292 -21.494 -20.951 1.00 0.00 N ATOM 33 CA GLN A 4 12.861 -20.640 -22.058 1.00 0.00 C ATOM 34 C GLN A 4 11.648 -19.809 -21.652 1.00 0.00 C ATOM 35 O GLN A 4 10.551 -19.995 -22.179 1.00 0.00 O ATOM 36 CB GLN A 4 12.504 -21.504 -23.272 1.00 0.00 C ATOM 37 CG GLN A 4 11.647 -22.690 -22.828 1.00 0.00 C ATOM 38 CD GLN A 4 11.142 -23.453 -24.047 1.00 0.00 C ATOM 39 OE1 GLN A 4 11.836 -23.533 -25.061 1.00 0.00 O ATOM 40 NE2 GLN A 4 9.967 -24.017 -24.011 1.00 0.00 N ATOM 0 H GLN A 4 12.850 -22.413 -20.929 1.00 0.00 H new ATOM 0 HA GLN A 4 13.679 -19.968 -22.315 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.964 -20.908 -24.008 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.413 -21.861 -23.756 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.231 -23.353 -22.190 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.804 -22.338 -22.234 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.394 -23.949 -23.170 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.621 -24.526 -24.824 1.00 0.00 H new ATOM 49 N ASN A 5 11.850 -18.890 -20.708 1.00 0.00 N ATOM 50 CA ASN A 5 10.764 -18.031 -20.231 1.00 0.00 C ATOM 51 C ASN A 5 10.831 -16.665 -20.909 1.00 0.00 C ATOM 52 O ASN A 5 10.137 -15.729 -20.508 1.00 0.00 O ATOM 53 CB ASN A 5 10.868 -17.858 -18.715 1.00 0.00 C ATOM 54 CG ASN A 5 10.556 -19.180 -18.022 1.00 0.00 C ATOM 55 OD1 ASN A 5 9.929 -20.058 -18.613 1.00 0.00 O ATOM 56 ND2 ASN A 5 10.962 -19.376 -16.797 1.00 0.00 N ATOM 0 H ASN A 5 12.750 -18.721 -20.260 1.00 0.00 H new ATOM 0 HA ASN A 5 9.812 -18.501 -20.478 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.870 -17.523 -18.446 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.174 -17.088 -18.379 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.760 -20.259 -16.328 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.482 -18.646 -16.309 1.00 0.00 H new ATOM 63 N LYS A 6 11.669 -16.559 -21.935 1.00 0.00 N ATOM 64 CA LYS A 6 11.822 -15.305 -22.666 1.00 0.00 C ATOM 65 C LYS A 6 12.209 -14.171 -21.717 1.00 0.00 C ATOM 66 O LYS A 6 12.233 -13.004 -22.106 1.00 0.00 O ATOM 67 CB LYS A 6 10.516 -14.954 -23.383 1.00 0.00 C ATOM 68 CG LYS A 6 10.227 -16.005 -24.456 1.00 0.00 C ATOM 69 CD LYS A 6 8.914 -15.668 -25.162 1.00 0.00 C ATOM 70 CE LYS A 6 8.565 -16.783 -26.151 1.00 0.00 C ATOM 71 NZ LYS A 6 9.577 -16.816 -27.244 1.00 0.00 N ATOM 0 H LYS A 6 12.251 -17.323 -22.279 1.00 0.00 H new ATOM 0 HA LYS A 6 12.616 -15.431 -23.402 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.695 -14.914 -22.667 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.592 -13.966 -23.837 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.043 -16.036 -25.178 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.165 -16.994 -24.003 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.114 -15.553 -24.430 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.005 -14.717 -25.687 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.539 -17.744 -25.637 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.571 -16.616 -26.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.215 -17.385 -28.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.766 -15.847 -27.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.458 -17.239 -26.889 1.00 0.00 H new ATOM 85 N GLU A 7 12.517 -14.527 -20.471 1.00 0.00 N ATOM 86 CA GLU A 7 12.909 -13.533 -19.474 1.00 0.00 C ATOM 87 C GLU A 7 14.331 -13.046 -19.726 1.00 0.00 C ATOM 88 O GLU A 7 14.724 -11.977 -19.258 1.00 0.00 O ATOM 89 CB GLU A 7 12.813 -14.132 -18.069 1.00 0.00 C ATOM 90 CG GLU A 7 11.344 -14.299 -17.684 1.00 0.00 C ATOM 91 CD GLU A 7 11.232 -14.991 -16.329 1.00 0.00 C ATOM 92 OE1 GLU A 7 12.266 -15.283 -15.750 1.00 0.00 O ATOM 93 OE2 GLU A 7 10.117 -15.219 -15.892 1.00 0.00 O ATOM 0 H GLU A 7 12.503 -15.488 -20.130 1.00 0.00 H new ATOM 0 HA GLU A 7 12.230 -12.684 -19.554 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.320 -15.097 -18.038 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.316 -13.484 -17.351 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.857 -13.324 -17.645 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.825 -14.884 -18.444 1.00 0.00 H new ATOM 100 N GLU A 8 15.098 -13.840 -20.463 1.00 0.00 N ATOM 101 CA GLU A 8 16.478 -13.486 -20.768 1.00 0.00 C ATOM 102 C GLU A 8 16.526 -12.290 -21.715 1.00 0.00 C ATOM 103 O GLU A 8 17.561 -11.639 -21.856 1.00 0.00 O ATOM 104 CB GLU A 8 17.202 -14.679 -21.406 1.00 0.00 C ATOM 105 CG GLU A 8 17.317 -15.835 -20.398 1.00 0.00 C ATOM 106 CD GLU A 8 16.030 -16.657 -20.373 1.00 0.00 C ATOM 107 OE1 GLU A 8 15.087 -16.275 -21.047 1.00 0.00 O ATOM 108 OE2 GLU A 8 16.010 -17.663 -19.684 1.00 0.00 O ATOM 0 H GLU A 8 14.790 -14.728 -20.858 1.00 0.00 H new ATOM 0 HA GLU A 8 16.978 -13.219 -19.837 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.659 -15.012 -22.291 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.195 -14.376 -21.737 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.158 -16.475 -20.665 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.521 -15.438 -19.403 1.00 0.00 H new ATOM 115 N GLU A 9 15.404 -12.010 -22.369 1.00 0.00 N ATOM 116 CA GLU A 9 15.342 -10.894 -23.305 1.00 0.00 C ATOM 117 C GLU A 9 15.694 -9.581 -22.608 1.00 0.00 C ATOM 118 O GLU A 9 16.493 -8.794 -23.116 1.00 0.00 O ATOM 119 CB GLU A 9 13.934 -10.794 -23.896 1.00 0.00 C ATOM 120 CG GLU A 9 13.901 -9.693 -24.958 1.00 0.00 C ATOM 121 CD GLU A 9 12.520 -9.631 -25.600 1.00 0.00 C ATOM 122 OE1 GLU A 9 11.613 -10.250 -25.069 1.00 0.00 O ATOM 123 OE2 GLU A 9 12.390 -8.964 -26.614 1.00 0.00 O ATOM 0 H GLU A 9 14.534 -12.534 -22.270 1.00 0.00 H new ATOM 0 HA GLU A 9 16.065 -11.072 -24.101 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.645 -11.748 -24.337 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.213 -10.576 -23.109 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.144 -8.732 -24.505 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.657 -9.887 -25.719 1.00 0.00 H new ATOM 130 N LYS A 10 15.090 -9.348 -21.441 1.00 0.00 N ATOM 131 CA LYS A 10 15.340 -8.120 -20.680 1.00 0.00 C ATOM 132 C LYS A 10 16.292 -8.396 -19.523 1.00 0.00 C ATOM 133 O LYS A 10 15.895 -8.937 -18.490 1.00 0.00 O ATOM 134 CB LYS A 10 14.019 -7.580 -20.128 1.00 0.00 C ATOM 135 CG LYS A 10 13.009 -7.390 -21.266 1.00 0.00 C ATOM 136 CD LYS A 10 13.462 -6.265 -22.207 1.00 0.00 C ATOM 137 CE LYS A 10 12.277 -5.818 -23.071 1.00 0.00 C ATOM 138 NZ LYS A 10 11.840 -6.952 -23.934 1.00 0.00 N ATOM 0 H LYS A 10 14.428 -9.989 -21.003 1.00 0.00 H new ATOM 0 HA LYS A 10 15.792 -7.384 -21.345 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.617 -8.270 -19.386 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.189 -6.630 -19.621 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.904 -8.320 -21.826 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.028 -7.154 -20.854 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.843 -5.423 -21.629 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.278 -6.612 -22.841 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.453 -5.490 -22.437 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.563 -4.966 -23.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.036 -6.652 -24.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.627 -7.244 -24.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.552 -7.752 -23.336 1.00 0.00 H new ATOM 152 N LYS A 11 17.550 -8.020 -19.707 1.00 0.00 N ATOM 153 CA LYS A 11 18.561 -8.226 -18.678 1.00 0.00 C ATOM 154 C LYS A 11 18.246 -7.384 -17.447 1.00 0.00 C ATOM 155 O LYS A 11 18.370 -7.850 -16.314 1.00 0.00 O ATOM 156 CB LYS A 11 19.934 -7.841 -19.229 1.00 0.00 C ATOM 157 CG LYS A 11 20.273 -8.689 -20.464 1.00 0.00 C ATOM 158 CD LYS A 11 20.445 -10.163 -20.077 1.00 0.00 C ATOM 159 CE LYS A 11 21.187 -10.904 -21.193 1.00 0.00 C ATOM 160 NZ LYS A 11 21.353 -12.333 -20.804 1.00 0.00 N ATOM 0 H LYS A 11 17.895 -7.572 -20.556 1.00 0.00 H new ATOM 0 HA LYS A 11 18.564 -9.277 -18.390 1.00 0.00 H new ATOM 0 HB2 LYS A 11 19.943 -6.783 -19.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.694 -7.985 -18.461 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.481 -8.593 -21.206 1.00 0.00 H new ATOM 0 HG3 LYS A 11 21.189 -8.319 -20.925 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.001 -10.242 -19.143 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.471 -10.621 -19.908 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.630 -10.831 -22.127 1.00 0.00 H new ATOM 0 HE3 LYS A 11 22.161 -10.446 -21.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.857 -12.842 -21.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 21.901 -12.391 -19.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.418 -12.764 -20.660 1.00 0.00 H new ATOM 174 N LYS A 12 17.839 -6.141 -17.678 1.00 0.00 N ATOM 175 CA LYS A 12 17.512 -5.242 -16.578 1.00 0.00 C ATOM 176 C LYS A 12 16.240 -5.702 -15.872 1.00 0.00 C ATOM 177 O LYS A 12 15.248 -6.043 -16.518 1.00 0.00 O ATOM 178 CB LYS A 12 17.330 -3.817 -17.106 1.00 0.00 C ATOM 179 CG LYS A 12 17.146 -2.858 -15.928 1.00 0.00 C ATOM 180 CD LYS A 12 17.068 -1.422 -16.448 1.00 0.00 C ATOM 181 CE LYS A 12 16.903 -0.460 -15.270 1.00 0.00 C ATOM 182 NZ LYS A 12 16.826 0.939 -15.778 1.00 0.00 N ATOM 0 H LYS A 12 17.728 -5.736 -18.608 1.00 0.00 H new ATOM 0 HA LYS A 12 18.332 -5.257 -15.861 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.198 -3.523 -17.697 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.464 -3.770 -17.766 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.237 -3.108 -15.380 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.977 -2.959 -15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.971 -1.177 -17.007 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.229 -1.318 -17.136 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.000 -0.705 -14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.742 -0.563 -14.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.020 1.602 -15.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.530 1.074 -16.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.874 1.119 -16.157 1.00 0.00 H new ATOM 196 N VAL A 13 16.279 -5.710 -14.542 1.00 0.00 N ATOM 197 CA VAL A 13 15.127 -6.129 -13.750 1.00 0.00 C ATOM 198 C VAL A 13 14.152 -4.970 -13.566 1.00 0.00 C ATOM 199 O VAL A 13 14.563 -3.821 -13.403 1.00 0.00 O ATOM 200 CB VAL A 13 15.589 -6.633 -12.382 1.00 0.00 C ATOM 201 CG1 VAL A 13 16.278 -7.990 -12.545 1.00 0.00 C ATOM 202 CG2 VAL A 13 16.575 -5.634 -11.777 1.00 0.00 C ATOM 0 H VAL A 13 17.092 -5.432 -13.992 1.00 0.00 H new ATOM 0 HA VAL A 13 14.619 -6.934 -14.280 1.00 0.00 H new ATOM 0 HB VAL A 13 14.726 -6.738 -11.724 1.00 0.00 H new ATOM 0 HG11 VAL A 13 16.608 -8.350 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.577 -8.704 -12.978 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.140 -7.883 -13.203 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.904 -5.993 -10.802 1.00 0.00 H new ATOM 0 HG22 VAL A 13 17.437 -5.530 -12.436 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.087 -4.666 -11.661 1.00 0.00 H new ATOM 212 N LYS A 14 12.862 -5.279 -13.598 1.00 0.00 N ATOM 213 CA LYS A 14 11.837 -4.254 -13.439 1.00 0.00 C ATOM 214 C LYS A 14 11.846 -3.714 -12.011 1.00 0.00 C ATOM 215 O LYS A 14 11.963 -4.476 -11.051 1.00 0.00 O ATOM 216 CB LYS A 14 10.462 -4.843 -13.756 1.00 0.00 C ATOM 217 CG LYS A 14 10.421 -5.278 -15.222 1.00 0.00 C ATOM 218 CD LYS A 14 9.047 -5.872 -15.542 1.00 0.00 C ATOM 219 CE LYS A 14 9.011 -6.316 -17.006 1.00 0.00 C ATOM 220 NZ LYS A 14 7.684 -6.925 -17.307 1.00 0.00 N ATOM 0 H LYS A 14 12.502 -6.224 -13.732 1.00 0.00 H new ATOM 0 HA LYS A 14 12.049 -3.436 -14.128 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.261 -5.695 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.684 -4.104 -13.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.620 -4.425 -15.871 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.201 -6.014 -15.415 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.845 -6.721 -14.889 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.267 -5.133 -15.356 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.189 -5.463 -17.661 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.806 -7.036 -17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.658 -7.227 -18.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.532 -7.749 -16.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.934 -6.224 -17.139 1.00 0.00 H new ATOM 234 N LYS A 15 11.727 -2.396 -11.879 1.00 0.00 N ATOM 235 CA LYS A 15 11.728 -1.769 -10.561 1.00 0.00 C ATOM 236 C LYS A 15 10.437 -2.099 -9.813 1.00 0.00 C ATOM 237 O LYS A 15 9.893 -3.193 -9.959 1.00 0.00 O ATOM 238 CB LYS A 15 11.868 -0.252 -10.704 1.00 0.00 C ATOM 239 CG LYS A 15 13.197 0.076 -11.383 1.00 0.00 C ATOM 240 CD LYS A 15 13.358 1.594 -11.462 1.00 0.00 C ATOM 241 CE LYS A 15 14.703 1.931 -12.104 1.00 0.00 C ATOM 242 NZ LYS A 15 14.694 1.493 -13.527 1.00 0.00 N ATOM 0 H LYS A 15 11.630 -1.747 -12.660 1.00 0.00 H new ATOM 0 HA LYS A 15 12.573 -2.157 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.040 0.147 -11.290 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.822 0.222 -9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.023 -0.361 -10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.225 -0.358 -12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.546 2.027 -12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.300 2.029 -10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.889 3.003 -12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.510 1.436 -11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.364 2.072 -14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.974 0.493 -13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.738 1.607 -13.919 1.00 0.00 H new ATOM 256 N LEU A 16 9.953 -1.150 -9.014 1.00 0.00 N ATOM 257 CA LEU A 16 8.728 -1.353 -8.249 1.00 0.00 C ATOM 258 C LEU A 16 8.839 -2.611 -7.395 1.00 0.00 C ATOM 259 O LEU A 16 8.867 -3.729 -7.913 1.00 0.00 O ATOM 260 CB LEU A 16 7.530 -1.478 -9.202 1.00 0.00 C ATOM 261 CG LEU A 16 7.035 -0.086 -9.606 1.00 0.00 C ATOM 262 CD1 LEU A 16 8.186 0.705 -10.228 1.00 0.00 C ATOM 263 CD2 LEU A 16 5.898 -0.233 -10.625 1.00 0.00 C ATOM 0 H LEU A 16 10.389 -0.238 -8.881 1.00 0.00 H new ATOM 0 HA LEU A 16 8.579 -0.494 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.818 -2.042 -10.089 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.726 -2.033 -8.718 1.00 0.00 H new ATOM 0 HG LEU A 16 6.670 0.445 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.833 1.696 -10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.994 0.804 -9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.553 0.180 -11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.541 0.755 -10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.264 -0.761 -11.505 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.079 -0.797 -10.178 1.00 0.00 H new ATOM 275 N GLN A 17 8.890 -2.420 -6.080 1.00 0.00 N ATOM 276 CA GLN A 17 8.988 -3.543 -5.147 1.00 0.00 C ATOM 277 C GLN A 17 7.700 -3.668 -4.347 1.00 0.00 C ATOM 278 O GLN A 17 7.327 -2.762 -3.600 1.00 0.00 O ATOM 279 CB GLN A 17 10.168 -3.328 -4.192 1.00 0.00 C ATOM 280 CG GLN A 17 10.381 -4.576 -3.328 1.00 0.00 C ATOM 281 CD GLN A 17 10.828 -5.748 -4.195 1.00 0.00 C ATOM 282 OE1 GLN A 17 9.997 -6.441 -4.785 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.101 -6.016 -4.309 1.00 0.00 N ATOM 0 H GLN A 17 8.865 -1.502 -5.635 1.00 0.00 H new ATOM 0 HA GLN A 17 9.148 -4.460 -5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.072 -3.112 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.978 -2.464 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.131 -4.374 -2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.457 -4.830 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.789 -5.442 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.408 -6.799 -4.886 1.00 0.00 H new ATOM 292 N LYS A 18 7.027 -4.799 -4.509 1.00 0.00 N ATOM 293 CA LYS A 18 5.782 -5.041 -3.798 1.00 0.00 C ATOM 294 C LYS A 18 6.069 -5.456 -2.361 1.00 0.00 C ATOM 295 O LYS A 18 6.971 -6.253 -2.102 1.00 0.00 O ATOM 296 CB LYS A 18 4.992 -6.151 -4.495 1.00 0.00 C ATOM 297 CG LYS A 18 4.565 -5.681 -5.887 1.00 0.00 C ATOM 298 CD LYS A 18 3.771 -6.790 -6.580 1.00 0.00 C ATOM 299 CE LYS A 18 3.355 -6.321 -7.975 1.00 0.00 C ATOM 300 NZ LYS A 18 2.573 -7.396 -8.649 1.00 0.00 N ATOM 0 H LYS A 18 7.321 -5.559 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 18 5.197 -4.121 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.603 -7.050 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.115 -6.413 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.957 -4.780 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.442 -5.423 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.376 -7.694 -6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.889 -7.043 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.756 -5.413 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.237 -6.074 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.290 -7.077 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.159 -8.251 -8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.724 -7.611 -8.089 1.00 0.00 H new ATOM 314 N SER A 19 5.291 -4.915 -1.431 1.00 0.00 N ATOM 315 CA SER A 19 5.454 -5.234 -0.016 1.00 0.00 C ATOM 316 C SER A 19 4.113 -5.138 0.704 1.00 0.00 C ATOM 317 O SER A 19 3.226 -4.391 0.288 1.00 0.00 O ATOM 318 CB SER A 19 6.460 -4.274 0.622 1.00 0.00 C ATOM 319 OG SER A 19 6.189 -2.951 0.186 1.00 0.00 O ATOM 0 H SER A 19 4.541 -4.253 -1.630 1.00 0.00 H new ATOM 0 HA SER A 19 5.828 -6.254 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.396 -4.331 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.476 -4.559 0.347 1.00 0.00 H new ATOM 0 HG SER A 19 6.013 -2.380 0.963 1.00 0.00 H new ATOM 325 N TYR A 20 3.971 -5.903 1.784 1.00 0.00 N ATOM 326 CA TYR A 20 2.733 -5.912 2.566 1.00 0.00 C ATOM 327 C TYR A 20 2.969 -5.291 3.936 1.00 0.00 C ATOM 328 O TYR A 20 3.893 -5.676 4.654 1.00 0.00 O ATOM 329 CB TYR A 20 2.246 -7.353 2.738 1.00 0.00 C ATOM 330 CG TYR A 20 1.894 -7.930 1.387 1.00 0.00 C ATOM 331 CD1 TYR A 20 0.697 -7.567 0.758 1.00 0.00 C ATOM 332 CD2 TYR A 20 2.767 -8.830 0.761 1.00 0.00 C ATOM 333 CE1 TYR A 20 0.374 -8.103 -0.493 1.00 0.00 C ATOM 334 CE2 TYR A 20 2.444 -9.365 -0.490 1.00 0.00 C ATOM 335 CZ TYR A 20 1.247 -9.002 -1.118 1.00 0.00 C ATOM 336 OH TYR A 20 0.928 -9.530 -2.353 1.00 0.00 O ATOM 0 H TYR A 20 4.697 -6.525 2.139 1.00 0.00 H new ATOM 0 HA TYR A 20 1.979 -5.329 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.020 -7.956 3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.376 -7.378 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.023 -6.873 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.691 -9.111 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.550 -7.823 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.118 -10.058 -0.971 1.00 0.00 H new ATOM 0 HH TYR A 20 1.642 -10.135 -2.644 1.00 0.00 H new ATOM 346 N PHE A 21 2.121 -4.331 4.297 1.00 0.00 N ATOM 347 CA PHE A 21 2.225 -3.652 5.588 1.00 0.00 C ATOM 348 C PHE A 21 1.028 -4.002 6.463 1.00 0.00 C ATOM 349 O PHE A 21 -0.083 -3.528 6.230 1.00 0.00 O ATOM 350 CB PHE A 21 2.275 -2.138 5.371 1.00 0.00 C ATOM 351 CG PHE A 21 3.472 -1.796 4.517 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.423 -2.002 3.135 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.630 -1.267 5.104 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.526 -1.684 2.341 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.735 -0.949 4.307 1.00 0.00 C ATOM 356 CZ PHE A 21 5.682 -1.158 2.923 1.00 0.00 C ATOM 0 H PHE A 21 1.352 -4.004 3.712 1.00 0.00 H new ATOM 0 HA PHE A 21 3.138 -3.979 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.359 -1.798 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.339 -1.623 6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.531 -2.408 2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.669 -1.105 6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.486 -1.845 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.628 -0.543 4.758 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.534 -0.913 2.306 1.00 0.00 H new ATOM 366 N ASP A 22 1.265 -4.830 7.473 1.00 0.00 N ATOM 367 CA ASP A 22 0.205 -5.237 8.388 1.00 0.00 C ATOM 368 C ASP A 22 0.062 -4.211 9.504 1.00 0.00 C ATOM 369 O ASP A 22 0.991 -3.996 10.284 1.00 0.00 O ATOM 370 CB ASP A 22 0.528 -6.606 8.990 1.00 0.00 C ATOM 371 CG ASP A 22 -0.629 -7.071 9.867 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.544 -6.291 10.067 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.583 -8.203 10.321 1.00 0.00 O ATOM 0 H ASP A 22 2.179 -5.232 7.679 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.732 -5.302 7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.707 -7.330 8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.443 -6.547 9.580 1.00 0.00 H new ATOM 378 N VAL A 23 -1.106 -3.576 9.576 1.00 0.00 N ATOM 379 CA VAL A 23 -1.373 -2.562 10.601 1.00 0.00 C ATOM 380 C VAL A 23 -2.561 -2.976 11.455 1.00 0.00 C ATOM 381 O VAL A 23 -3.612 -3.356 10.937 1.00 0.00 O ATOM 382 CB VAL A 23 -1.649 -1.206 9.933 1.00 0.00 C ATOM 383 CG1 VAL A 23 -2.640 -1.392 8.784 1.00 0.00 C ATOM 384 CG2 VAL A 23 -2.237 -0.225 10.956 1.00 0.00 C ATOM 0 H VAL A 23 -1.884 -3.744 8.938 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.498 -2.471 11.244 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.712 -0.805 9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.834 -0.429 8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.220 -2.079 8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.573 -1.801 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.429 0.733 10.473 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.171 -0.626 11.350 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.529 -0.084 11.773 1.00 0.00 H new ATOM 394 N LEU A 24 -2.380 -2.897 12.772 1.00 0.00 N ATOM 395 CA LEU A 24 -3.439 -3.263 13.712 1.00 0.00 C ATOM 396 C LEU A 24 -4.061 -2.011 14.322 1.00 0.00 C ATOM 397 O LEU A 24 -5.180 -2.046 14.832 1.00 0.00 O ATOM 398 CB LEU A 24 -2.861 -4.143 14.821 1.00 0.00 C ATOM 399 CG LEU A 24 -2.154 -5.355 14.201 1.00 0.00 C ATOM 400 CD1 LEU A 24 -1.545 -6.208 15.318 1.00 0.00 C ATOM 401 CD2 LEU A 24 -3.152 -6.195 13.386 1.00 0.00 C ATOM 0 H LEU A 24 -1.514 -2.584 13.211 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.211 -3.814 13.175 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.158 -3.569 15.425 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.657 -4.475 15.487 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.366 -5.009 13.533 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.041 -7.071 14.883 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.825 -5.612 15.879 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.335 -6.548 15.988 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.637 -7.052 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.951 -6.545 14.039 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.576 -5.584 12.589 1.00 0.00 H new ATOM 413 N GLY A 25 -3.326 -0.902 14.268 1.00 0.00 N ATOM 414 CA GLY A 25 -3.817 0.355 14.818 1.00 0.00 C ATOM 415 C GLY A 25 -4.793 1.025 13.857 1.00 0.00 C ATOM 416 O GLY A 25 -4.889 2.251 13.809 1.00 0.00 O ATOM 0 H GLY A 25 -2.396 -0.850 13.852 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.309 0.171 15.773 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.978 1.023 15.015 1.00 0.00 H new ATOM 420 N ILE A 26 -5.521 0.212 13.093 1.00 0.00 N ATOM 421 CA ILE A 26 -6.492 0.740 12.138 1.00 0.00 C ATOM 422 C ILE A 26 -7.825 1.012 12.829 1.00 0.00 C ATOM 423 O ILE A 26 -8.405 0.123 13.454 1.00 0.00 O ATOM 424 CB ILE A 26 -6.699 -0.264 10.997 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.584 0.370 9.914 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.377 -1.531 11.537 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.517 -0.475 8.641 1.00 0.00 C ATOM 0 H ILE A 26 -5.458 -0.806 13.116 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.108 1.676 11.733 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.732 -0.529 10.570 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.614 0.438 10.265 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.251 1.387 9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.522 -2.241 10.723 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.747 -1.982 12.304 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.344 -1.271 11.968 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.145 -0.025 7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.487 -0.520 8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.871 -1.483 8.855 1.00 0.00 H new ATOM 439 N CYS A 27 -8.304 2.248 12.712 1.00 0.00 N ATOM 440 CA CYS A 27 -9.574 2.639 13.322 1.00 0.00 C ATOM 441 C CYS A 27 -10.700 2.506 12.307 1.00 0.00 C ATOM 442 O CYS A 27 -10.559 2.942 11.174 1.00 0.00 O ATOM 443 CB CYS A 27 -9.497 4.092 13.804 1.00 0.00 C ATOM 444 SG CYS A 27 -11.159 4.687 14.217 1.00 0.00 S ATOM 0 H CYS A 27 -7.834 2.995 12.202 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.771 1.985 14.171 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.848 4.162 14.677 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.058 4.720 13.029 1.00 0.00 H new ATOM 449 N CYS A 28 -11.818 1.910 12.724 1.00 0.00 N ATOM 450 CA CYS A 28 -12.970 1.742 11.836 1.00 0.00 C ATOM 451 C CYS A 28 -12.525 1.492 10.389 1.00 0.00 C ATOM 452 O CYS A 28 -11.439 0.958 10.155 1.00 0.00 O ATOM 453 CB CYS A 28 -13.843 3.001 11.906 1.00 0.00 C ATOM 454 SG CYS A 28 -13.046 4.336 10.973 1.00 0.00 S ATOM 0 H CYS A 28 -11.950 1.538 13.664 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.541 0.873 12.163 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.832 2.795 11.496 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.985 3.302 12.944 1.00 0.00 H new ATOM 459 N THR A 29 -13.359 1.888 9.424 1.00 0.00 N ATOM 460 CA THR A 29 -13.035 1.711 8.004 1.00 0.00 C ATOM 461 C THR A 29 -13.246 3.018 7.241 1.00 0.00 C ATOM 462 O THR A 29 -13.020 3.088 6.033 1.00 0.00 O ATOM 463 CB THR A 29 -13.921 0.617 7.408 1.00 0.00 C ATOM 464 OG1 THR A 29 -15.272 1.054 7.409 1.00 0.00 O ATOM 465 CG2 THR A 29 -13.793 -0.653 8.250 1.00 0.00 C ATOM 0 H THR A 29 -14.261 2.332 9.598 1.00 0.00 H new ATOM 0 HA THR A 29 -11.988 1.421 7.916 1.00 0.00 H new ATOM 0 HB THR A 29 -13.608 0.407 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.842 0.355 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.424 -1.435 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.755 -0.985 8.252 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.109 -0.445 9.272 1.00 0.00 H new ATOM 473 N SER A 30 -13.683 4.050 7.959 1.00 0.00 N ATOM 474 CA SER A 30 -13.929 5.357 7.353 1.00 0.00 C ATOM 475 C SER A 30 -12.614 6.083 7.097 1.00 0.00 C ATOM 476 O SER A 30 -12.594 7.159 6.500 1.00 0.00 O ATOM 477 CB SER A 30 -14.815 6.207 8.264 1.00 0.00 C ATOM 478 OG SER A 30 -14.144 6.430 9.497 1.00 0.00 O ATOM 0 H SER A 30 -13.874 4.007 8.960 1.00 0.00 H new ATOM 0 HA SER A 30 -14.439 5.201 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.043 7.159 7.784 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.765 5.703 8.440 1.00 0.00 H new ATOM 0 HG SER A 30 -14.213 5.628 10.056 1.00 0.00 H new ATOM 484 N GLU A 31 -11.521 5.488 7.571 1.00 0.00 N ATOM 485 CA GLU A 31 -10.193 6.078 7.408 1.00 0.00 C ATOM 486 C GLU A 31 -9.622 5.733 6.036 1.00 0.00 C ATOM 487 O GLU A 31 -8.506 6.135 5.704 1.00 0.00 O ATOM 488 CB GLU A 31 -9.235 5.588 8.515 1.00 0.00 C ATOM 489 CG GLU A 31 -10.023 5.280 9.790 1.00 0.00 C ATOM 490 CD GLU A 31 -10.732 6.527 10.307 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.392 7.183 9.520 1.00 0.00 O ATOM 492 OE2 GLU A 31 -10.612 6.799 11.489 1.00 0.00 O ATOM 0 H GLU A 31 -11.528 4.599 8.071 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.292 7.160 7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.705 4.696 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.481 6.349 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.755 4.498 9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.348 4.897 10.556 1.00 0.00 H new ATOM 499 N VAL A 32 -10.398 5.001 5.236 1.00 0.00 N ATOM 500 CA VAL A 32 -9.956 4.637 3.891 1.00 0.00 C ATOM 501 C VAL A 32 -9.269 5.845 3.222 1.00 0.00 C ATOM 502 O VAL A 32 -8.105 5.749 2.831 1.00 0.00 O ATOM 503 CB VAL A 32 -11.164 4.163 3.047 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.893 4.359 1.545 1.00 0.00 C ATOM 505 CG2 VAL A 32 -11.445 2.680 3.314 1.00 0.00 C ATOM 0 H VAL A 32 -11.322 4.653 5.491 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.238 3.819 3.957 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.029 4.760 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.756 4.019 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.716 5.415 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.015 3.782 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.297 2.357 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.569 2.090 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.670 2.537 4.371 1.00 0.00 H new ATOM 515 N PRO A 33 -9.947 6.976 3.091 1.00 0.00 N ATOM 516 CA PRO A 33 -9.346 8.193 2.453 1.00 0.00 C ATOM 517 C PRO A 33 -8.064 8.638 3.156 1.00 0.00 C ATOM 518 O PRO A 33 -7.104 9.049 2.507 1.00 0.00 O ATOM 519 CB PRO A 33 -10.456 9.262 2.576 1.00 0.00 C ATOM 520 CG PRO A 33 -11.354 8.761 3.659 1.00 0.00 C ATOM 521 CD PRO A 33 -11.336 7.242 3.518 1.00 0.00 C ATOM 0 HA PRO A 33 -9.047 8.010 1.421 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.039 10.237 2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.997 9.380 1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.997 9.070 4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.364 9.155 3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.574 6.745 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.060 6.894 2.781 1.00 0.00 H new ATOM 529 N ILE A 34 -8.059 8.551 4.479 1.00 0.00 N ATOM 530 CA ILE A 34 -6.891 8.947 5.257 1.00 0.00 C ATOM 531 C ILE A 34 -5.706 8.041 4.941 1.00 0.00 C ATOM 532 O ILE A 34 -4.577 8.509 4.792 1.00 0.00 O ATOM 533 CB ILE A 34 -7.212 8.884 6.754 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.244 9.965 7.094 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.937 9.128 7.567 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.752 9.765 8.525 1.00 0.00 C ATOM 0 H ILE A 34 -8.845 8.212 5.034 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.628 9.971 4.990 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.612 7.900 6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.796 10.953 6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.077 9.919 6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.170 9.082 8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.199 8.364 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.534 10.112 7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.485 10.536 8.762 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.217 8.783 8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.916 9.834 9.221 1.00 0.00 H new ATOM 548 N ILE A 35 -5.967 6.742 4.856 1.00 0.00 N ATOM 549 CA ILE A 35 -4.908 5.782 4.575 1.00 0.00 C ATOM 550 C ILE A 35 -4.297 6.055 3.205 1.00 0.00 C ATOM 551 O ILE A 35 -3.079 6.044 3.049 1.00 0.00 O ATOM 552 CB ILE A 35 -5.479 4.361 4.606 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.915 4.018 6.032 1.00 0.00 C ATOM 554 CG2 ILE A 35 -4.408 3.363 4.159 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.742 2.729 6.012 1.00 0.00 C ATOM 0 H ILE A 35 -6.893 6.333 4.976 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.133 5.881 5.335 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.334 4.305 3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.041 3.893 6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.503 4.835 6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.819 2.354 4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.089 3.601 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.552 3.422 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.054 2.481 7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.623 2.871 5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.138 1.916 5.610 1.00 0.00 H new ATOM 567 N GLU A 36 -5.147 6.301 2.220 1.00 0.00 N ATOM 568 CA GLU A 36 -4.676 6.575 0.869 1.00 0.00 C ATOM 569 C GLU A 36 -3.955 7.919 0.816 1.00 0.00 C ATOM 570 O GLU A 36 -3.017 8.103 0.040 1.00 0.00 O ATOM 571 CB GLU A 36 -5.854 6.581 -0.106 1.00 0.00 C ATOM 572 CG GLU A 36 -6.478 5.186 -0.156 1.00 0.00 C ATOM 573 CD GLU A 36 -7.664 5.179 -1.114 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.949 6.223 -1.677 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.268 4.131 -1.270 1.00 0.00 O ATOM 0 H GLU A 36 -6.161 6.317 2.328 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.976 5.790 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.598 7.313 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.517 6.877 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.735 4.458 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.803 4.888 0.841 1.00 0.00 H new ATOM 582 N ASN A 37 -4.408 8.856 1.641 1.00 0.00 N ATOM 583 CA ASN A 37 -3.810 10.186 1.683 1.00 0.00 C ATOM 584 C ASN A 37 -2.357 10.117 2.142 1.00 0.00 C ATOM 585 O ASN A 37 -1.502 10.843 1.635 1.00 0.00 O ATOM 586 CB ASN A 37 -4.601 11.087 2.634 1.00 0.00 C ATOM 587 CG ASN A 37 -3.958 12.469 2.696 1.00 0.00 C ATOM 588 OD1 ASN A 37 -3.355 12.831 3.706 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.051 13.267 1.667 1.00 0.00 N ATOM 0 H ASN A 37 -5.185 8.721 2.288 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.839 10.601 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.633 11.172 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.628 10.644 3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.623 14.193 1.699 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.551 12.965 0.831 1.00 0.00 H new ATOM 596 N ILE A 38 -2.084 9.251 3.114 1.00 0.00 N ATOM 597 CA ILE A 38 -0.729 9.116 3.638 1.00 0.00 C ATOM 598 C ILE A 38 0.222 8.634 2.544 1.00 0.00 C ATOM 599 O ILE A 38 1.310 9.185 2.367 1.00 0.00 O ATOM 600 CB ILE A 38 -0.724 8.114 4.799 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.493 8.698 5.990 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.718 7.823 5.225 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.750 7.594 7.019 1.00 0.00 C ATOM 0 H ILE A 38 -2.774 8.639 3.550 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.392 10.090 3.992 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.202 7.190 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.922 9.508 6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.438 9.124 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.717 7.111 6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.268 7.402 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.197 8.748 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.297 8.007 7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.338 6.799 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.798 7.189 7.363 1.00 0.00 H new ATOM 615 N LEU A 39 -0.201 7.616 1.806 1.00 0.00 N ATOM 616 CA LEU A 39 0.617 7.079 0.722 1.00 0.00 C ATOM 617 C LEU A 39 0.789 8.121 -0.379 1.00 0.00 C ATOM 618 O LEU A 39 1.861 8.244 -0.968 1.00 0.00 O ATOM 619 CB LEU A 39 -0.030 5.802 0.156 1.00 0.00 C ATOM 620 CG LEU A 39 0.370 4.589 1.005 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.049 4.850 2.477 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.408 3.365 0.525 1.00 0.00 C ATOM 0 H LEU A 39 -1.098 7.148 1.935 1.00 0.00 H new ATOM 0 HA LEU A 39 1.602 6.828 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.115 5.908 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.284 5.653 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 39 1.441 4.414 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.337 3.983 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.601 5.725 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.020 5.029 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.129 2.498 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.477 3.549 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.174 3.173 -0.522 1.00 0.00 H new ATOM 634 N LYS A 40 -0.275 8.863 -0.654 1.00 0.00 N ATOM 635 CA LYS A 40 -0.228 9.881 -1.693 1.00 0.00 C ATOM 636 C LYS A 40 0.883 10.883 -1.399 1.00 0.00 C ATOM 637 O LYS A 40 1.591 11.322 -2.307 1.00 0.00 O ATOM 638 CB LYS A 40 -1.570 10.613 -1.763 1.00 0.00 C ATOM 639 CG LYS A 40 -1.559 11.592 -2.936 1.00 0.00 C ATOM 640 CD LYS A 40 -2.914 12.293 -3.031 1.00 0.00 C ATOM 641 CE LYS A 40 -2.907 13.257 -4.219 1.00 0.00 C ATOM 642 NZ LYS A 40 -4.227 13.942 -4.310 1.00 0.00 N ATOM 0 H LYS A 40 -1.173 8.780 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.027 9.397 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.381 9.895 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.753 11.148 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.766 12.328 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.347 11.061 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.709 11.557 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.120 12.837 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.111 13.992 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.703 12.713 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.223 14.598 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.977 13.234 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.404 14.473 -3.434 1.00 0.00 H new ATOM 656 N SER A 41 1.038 11.237 -0.129 1.00 0.00 N ATOM 657 CA SER A 41 2.073 12.183 0.267 1.00 0.00 C ATOM 658 C SER A 41 3.456 11.634 -0.062 1.00 0.00 C ATOM 659 O SER A 41 4.333 12.366 -0.522 1.00 0.00 O ATOM 660 CB SER A 41 1.980 12.466 1.766 1.00 0.00 C ATOM 661 OG SER A 41 2.971 13.418 2.125 1.00 0.00 O ATOM 0 H SER A 41 0.465 10.886 0.639 1.00 0.00 H new ATOM 0 HA SER A 41 1.920 13.109 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.989 12.844 2.016 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.122 11.545 2.331 1.00 0.00 H new ATOM 0 HG SER A 41 2.914 13.603 3.086 1.00 0.00 H new ATOM 667 N LEU A 42 3.646 10.343 0.183 1.00 0.00 N ATOM 668 CA LEU A 42 4.928 9.706 -0.084 1.00 0.00 C ATOM 669 C LEU A 42 5.216 9.693 -1.581 1.00 0.00 C ATOM 670 O LEU A 42 4.308 9.542 -2.399 1.00 0.00 O ATOM 671 CB LEU A 42 4.913 8.269 0.444 1.00 0.00 C ATOM 672 CG LEU A 42 4.638 8.266 1.952 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.562 6.816 2.443 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.759 9.014 2.701 1.00 0.00 C ATOM 0 H LEU A 42 2.933 9.721 0.564 1.00 0.00 H new ATOM 0 HA LEU A 42 5.709 10.274 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.148 7.691 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.870 7.788 0.240 1.00 0.00 H new ATOM 0 HG LEU A 42 3.693 8.772 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.367 6.805 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.757 6.297 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.508 6.314 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.551 9.004 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.713 8.523 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.806 10.045 2.350 1.00 0.00 H new ATOM 686 N ASP A 43 6.491 9.856 -1.930 1.00 0.00 N ATOM 687 CA ASP A 43 6.912 9.868 -3.330 1.00 0.00 C ATOM 688 C ASP A 43 7.483 8.511 -3.725 1.00 0.00 C ATOM 689 O ASP A 43 8.063 7.806 -2.900 1.00 0.00 O ATOM 690 CB ASP A 43 7.972 10.951 -3.542 1.00 0.00 C ATOM 691 CG ASP A 43 7.342 12.331 -3.398 1.00 0.00 C ATOM 692 OD1 ASP A 43 6.127 12.417 -3.477 1.00 0.00 O ATOM 693 OD2 ASP A 43 8.081 13.282 -3.204 1.00 0.00 O ATOM 0 H ASP A 43 7.251 9.982 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 43 6.044 10.080 -3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.776 10.832 -2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.418 10.847 -4.531 1.00 0.00 H new ATOM 698 N GLY A 44 7.314 8.156 -4.996 1.00 0.00 N ATOM 699 CA GLY A 44 7.811 6.880 -5.511 1.00 0.00 C ATOM 700 C GLY A 44 6.689 5.848 -5.570 1.00 0.00 C ATOM 701 O GLY A 44 6.768 4.877 -6.323 1.00 0.00 O ATOM 0 H GLY A 44 6.837 8.733 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.233 7.023 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.616 6.514 -4.874 1.00 0.00 H new ATOM 705 N VAL A 45 5.641 6.064 -4.779 1.00 0.00 N ATOM 706 CA VAL A 45 4.508 5.142 -4.766 1.00 0.00 C ATOM 707 C VAL A 45 3.758 5.208 -6.091 1.00 0.00 C ATOM 708 O VAL A 45 3.441 6.291 -6.587 1.00 0.00 O ATOM 709 CB VAL A 45 3.556 5.502 -3.627 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.328 5.537 -2.308 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.941 6.878 -3.899 1.00 0.00 C ATOM 0 H VAL A 45 5.552 6.859 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 45 4.886 4.130 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 45 2.765 4.755 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.648 5.794 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.768 4.558 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.119 6.284 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.261 7.139 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.733 7.624 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.391 6.851 -4.840 1.00 0.00 H new ATOM 721 N LYS A 46 3.477 4.042 -6.664 1.00 0.00 N ATOM 722 CA LYS A 46 2.762 3.963 -7.940 1.00 0.00 C ATOM 723 C LYS A 46 1.276 3.708 -7.715 1.00 0.00 C ATOM 724 O LYS A 46 0.426 4.412 -8.261 1.00 0.00 O ATOM 725 CB LYS A 46 3.359 2.826 -8.782 1.00 0.00 C ATOM 726 CG LYS A 46 4.755 3.216 -9.296 1.00 0.00 C ATOM 727 CD LYS A 46 4.640 4.059 -10.575 1.00 0.00 C ATOM 728 CE LYS A 46 6.039 4.404 -11.084 1.00 0.00 C ATOM 729 NZ LYS A 46 5.920 5.191 -12.341 1.00 0.00 N ATOM 0 H LYS A 46 3.732 3.137 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 46 2.871 4.913 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.426 1.918 -8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.703 2.605 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.288 3.778 -8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.339 2.318 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.089 3.509 -11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.079 4.972 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.582 4.977 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.609 3.492 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.869 5.429 -12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.417 4.628 -13.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.391 6.066 -12.154 1.00 0.00 H new ATOM 743 N GLU A 47 0.965 2.696 -6.911 1.00 0.00 N ATOM 744 CA GLU A 47 -0.424 2.359 -6.630 1.00 0.00 C ATOM 745 C GLU A 47 -0.540 1.602 -5.315 1.00 0.00 C ATOM 746 O GLU A 47 0.439 1.049 -4.815 1.00 0.00 O ATOM 747 CB GLU A 47 -0.995 1.508 -7.765 1.00 0.00 C ATOM 748 CG GLU A 47 -0.003 0.400 -8.117 1.00 0.00 C ATOM 749 CD GLU A 47 -0.590 -0.501 -9.199 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.217 0.024 -10.103 1.00 0.00 O ATOM 751 OE2 GLU A 47 -0.403 -1.703 -9.105 1.00 0.00 O ATOM 0 H GLU A 47 1.650 2.100 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.992 3.286 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.949 1.075 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.188 2.130 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.934 0.836 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.229 -0.188 -7.229 1.00 0.00 H new ATOM 758 N TYR A 48 -1.746 1.582 -4.762 1.00 0.00 N ATOM 759 CA TYR A 48 -1.997 0.893 -3.505 1.00 0.00 C ATOM 760 C TYR A 48 -3.473 0.561 -3.354 1.00 0.00 C ATOM 761 O TYR A 48 -4.328 1.165 -4.001 1.00 0.00 O ATOM 762 CB TYR A 48 -1.524 1.756 -2.329 1.00 0.00 C ATOM 763 CG TYR A 48 -1.970 3.184 -2.553 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.315 3.531 -2.404 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.031 4.157 -2.922 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.725 4.853 -2.624 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.441 5.477 -3.143 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.788 5.824 -2.994 1.00 0.00 C ATOM 769 OH TYR A 48 -3.193 7.125 -3.212 1.00 0.00 O ATOM 0 H TYR A 48 -2.566 2.036 -5.165 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.437 -0.042 -3.508 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.935 1.376 -1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.438 1.710 -2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.038 2.781 -2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.009 3.888 -3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.764 5.122 -2.508 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.718 6.227 -3.428 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.418 7.671 -3.460 1.00 0.00 H new ATOM 779 N SER A 49 -3.764 -0.407 -2.488 1.00 0.00 N ATOM 780 CA SER A 49 -5.140 -0.827 -2.242 1.00 0.00 C ATOM 781 C SER A 49 -5.328 -1.184 -0.773 1.00 0.00 C ATOM 782 O SER A 49 -4.487 -1.852 -0.172 1.00 0.00 O ATOM 783 CB SER A 49 -5.470 -2.045 -3.110 1.00 0.00 C ATOM 784 OG SER A 49 -6.877 -2.239 -3.129 1.00 0.00 O ATOM 0 H SER A 49 -3.065 -0.915 -1.945 1.00 0.00 H new ATOM 0 HA SER A 49 -5.809 -0.005 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.098 -1.895 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.974 -2.932 -2.716 1.00 0.00 H new ATOM 0 HG SER A 49 -7.093 -3.017 -3.685 1.00 0.00 H new ATOM 790 N VAL A 50 -6.440 -0.738 -0.195 1.00 0.00 N ATOM 791 CA VAL A 50 -6.737 -1.019 1.208 1.00 0.00 C ATOM 792 C VAL A 50 -7.778 -2.121 1.307 1.00 0.00 C ATOM 793 O VAL A 50 -8.937 -1.926 0.939 1.00 0.00 O ATOM 794 CB VAL A 50 -7.268 0.242 1.888 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.534 -0.049 3.367 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.232 1.358 1.764 1.00 0.00 C ATOM 0 H VAL A 50 -7.149 -0.182 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.822 -1.341 1.704 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.196 0.553 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.913 0.850 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.272 -0.846 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.607 -0.359 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.608 2.259 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.304 1.048 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.044 1.564 0.710 1.00 0.00 H new ATOM 806 N ILE A 51 -7.358 -3.284 1.802 1.00 0.00 N ATOM 807 CA ILE A 51 -8.269 -4.419 1.940 1.00 0.00 C ATOM 808 C ILE A 51 -8.751 -4.529 3.385 1.00 0.00 C ATOM 809 O ILE A 51 -7.991 -4.904 4.277 1.00 0.00 O ATOM 810 CB ILE A 51 -7.550 -5.712 1.542 1.00 0.00 C ATOM 811 CG1 ILE A 51 -6.926 -5.555 0.150 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.558 -6.863 1.500 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.039 -6.766 -0.149 1.00 0.00 C ATOM 0 H ILE A 51 -6.403 -3.465 2.111 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.127 -4.265 1.286 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.769 -5.922 2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.709 -5.469 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.337 -4.639 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.048 -7.784 1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.010 -6.987 2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.335 -6.640 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.595 -6.656 -1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.249 -6.832 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.641 -7.674 -0.121 1.00 0.00 H new ATOM 825 N VAL A 52 -10.027 -4.218 3.591 1.00 0.00 N ATOM 826 CA VAL A 52 -10.637 -4.298 4.910 1.00 0.00 C ATOM 827 C VAL A 52 -10.917 -5.756 5.310 1.00 0.00 C ATOM 828 O VAL A 52 -10.695 -6.132 6.461 1.00 0.00 O ATOM 829 CB VAL A 52 -11.963 -3.505 4.937 1.00 0.00 C ATOM 830 CG1 VAL A 52 -12.197 -2.898 6.324 1.00 0.00 C ATOM 831 CG2 VAL A 52 -11.925 -2.391 3.886 1.00 0.00 C ATOM 0 H VAL A 52 -10.661 -3.906 2.855 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.933 -3.867 5.622 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.781 -4.189 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.135 -2.343 6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.246 -3.695 7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.376 -2.224 6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.863 -1.836 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.097 -1.715 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.788 -2.828 2.897 1.00 0.00 H new ATOM 841 N PRO A 53 -11.437 -6.571 4.404 1.00 0.00 N ATOM 842 CA PRO A 53 -11.782 -7.990 4.725 1.00 0.00 C ATOM 843 C PRO A 53 -10.548 -8.859 4.985 1.00 0.00 C ATOM 844 O PRO A 53 -10.657 -9.953 5.540 1.00 0.00 O ATOM 845 CB PRO A 53 -12.566 -8.471 3.489 1.00 0.00 C ATOM 846 CG PRO A 53 -12.103 -7.602 2.365 1.00 0.00 C ATOM 847 CD PRO A 53 -11.749 -6.247 2.986 1.00 0.00 C ATOM 0 HA PRO A 53 -12.357 -8.066 5.648 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.366 -9.522 3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.641 -8.375 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.238 -8.039 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.883 -7.492 1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.897 -5.789 2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.579 -5.544 2.910 1.00 0.00 H new ATOM 855 N SER A 54 -9.379 -8.368 4.578 1.00 0.00 N ATOM 856 CA SER A 54 -8.126 -9.107 4.765 1.00 0.00 C ATOM 857 C SER A 54 -7.178 -8.328 5.672 1.00 0.00 C ATOM 858 O SER A 54 -6.053 -8.756 5.925 1.00 0.00 O ATOM 859 CB SER A 54 -7.461 -9.335 3.409 1.00 0.00 C ATOM 860 OG SER A 54 -6.795 -8.146 3.007 1.00 0.00 O ATOM 0 H SER A 54 -9.270 -7.464 4.118 1.00 0.00 H new ATOM 0 HA SER A 54 -8.350 -10.066 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.751 -10.159 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.209 -9.615 2.667 1.00 0.00 H new ATOM 0 HG SER A 54 -6.287 -8.317 2.187 1.00 0.00 H new ATOM 866 N ARG A 55 -7.642 -7.181 6.161 1.00 0.00 N ATOM 867 CA ARG A 55 -6.825 -6.350 7.041 1.00 0.00 C ATOM 868 C ARG A 55 -5.392 -6.265 6.526 1.00 0.00 C ATOM 869 O ARG A 55 -4.461 -6.007 7.289 1.00 0.00 O ATOM 870 CB ARG A 55 -6.817 -6.937 8.451 1.00 0.00 C ATOM 871 CG ARG A 55 -8.207 -6.798 9.072 1.00 0.00 C ATOM 872 CD ARG A 55 -8.196 -7.398 10.478 1.00 0.00 C ATOM 873 NE ARG A 55 -9.524 -7.308 11.073 1.00 0.00 N ATOM 874 CZ ARG A 55 -9.709 -7.503 12.374 1.00 0.00 C ATOM 875 NH1 ARG A 55 -8.692 -7.778 13.144 1.00 0.00 N ATOM 876 NH2 ARG A 55 -10.908 -7.419 12.882 1.00 0.00 N ATOM 0 H ARG A 55 -8.571 -6.808 5.965 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.255 -5.349 7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.526 -7.987 8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.080 -6.422 9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.495 -5.748 9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.947 -7.306 8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.879 -8.440 10.434 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.474 -6.871 11.101 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.325 -7.092 10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.755 -7.843 12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.834 -7.928 14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.703 -7.204 12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.050 -7.569 13.881 1.00 0.00 H new ATOM 890 N THR A 56 -5.224 -6.488 5.225 1.00 0.00 N ATOM 891 CA THR A 56 -3.903 -6.444 4.599 1.00 0.00 C ATOM 892 C THR A 56 -3.798 -5.234 3.681 1.00 0.00 C ATOM 893 O THR A 56 -4.712 -4.954 2.904 1.00 0.00 O ATOM 894 CB THR A 56 -3.667 -7.715 3.783 1.00 0.00 C ATOM 895 OG1 THR A 56 -3.836 -8.852 4.618 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.245 -7.706 3.216 1.00 0.00 C ATOM 0 H THR A 56 -5.987 -6.701 4.582 1.00 0.00 H new ATOM 0 HA THR A 56 -3.150 -6.370 5.384 1.00 0.00 H new ATOM 0 HB THR A 56 -4.383 -7.755 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.789 -8.980 4.807 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.079 -8.613 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.115 -6.835 2.574 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.527 -7.664 4.035 1.00 0.00 H new ATOM 904 N VAL A 57 -2.681 -4.520 3.777 1.00 0.00 N ATOM 905 CA VAL A 57 -2.458 -3.333 2.950 1.00 0.00 C ATOM 906 C VAL A 57 -1.376 -3.620 1.918 1.00 0.00 C ATOM 907 O VAL A 57 -0.299 -4.118 2.251 1.00 0.00 O ATOM 908 CB VAL A 57 -2.023 -2.161 3.834 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.621 -0.970 2.959 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.179 -1.758 4.754 1.00 0.00 C ATOM 0 H VAL A 57 -1.917 -4.739 4.416 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.385 -3.075 2.439 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.168 -2.464 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.313 -0.140 3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.793 -1.258 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.471 -0.664 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.869 -0.924 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.037 -1.459 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.455 -2.604 5.383 1.00 0.00 H new ATOM 920 N ILE A 58 -1.674 -3.302 0.661 1.00 0.00 N ATOM 921 CA ILE A 58 -0.731 -3.522 -0.437 1.00 0.00 C ATOM 922 C ILE A 58 -0.392 -2.204 -1.116 1.00 0.00 C ATOM 923 O ILE A 58 -1.279 -1.421 -1.457 1.00 0.00 O ATOM 924 CB ILE A 58 -1.339 -4.483 -1.463 1.00 0.00 C ATOM 925 CG1 ILE A 58 -0.332 -4.738 -2.587 1.00 0.00 C ATOM 926 CG2 ILE A 58 -2.619 -3.881 -2.048 1.00 0.00 C ATOM 927 CD1 ILE A 58 -0.883 -5.805 -3.534 1.00 0.00 C ATOM 0 H ILE A 58 -2.562 -2.890 0.375 1.00 0.00 H new ATOM 0 HA ILE A 58 0.181 -3.956 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.580 -5.425 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.140 -3.815 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.620 -5.064 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.045 -4.570 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.339 -3.708 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.386 -2.935 -2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.166 -5.986 -4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.052 -6.729 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.825 -5.461 -3.962 1.00 0.00 H new ATOM 939 N VAL A 59 0.902 -1.970 -1.314 1.00 0.00 N ATOM 940 CA VAL A 59 1.370 -0.747 -1.962 1.00 0.00 C ATOM 941 C VAL A 59 2.574 -1.042 -2.844 1.00 0.00 C ATOM 942 O VAL A 59 3.506 -1.732 -2.431 1.00 0.00 O ATOM 943 CB VAL A 59 1.739 0.303 -0.907 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.716 -0.308 0.094 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.388 1.523 -1.579 1.00 0.00 C ATOM 0 H VAL A 59 1.646 -2.610 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 59 0.566 -0.356 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 59 0.834 0.623 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.980 0.436 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.250 -1.165 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.616 -0.632 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.646 2.262 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.291 1.212 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.688 1.962 -2.290 1.00 0.00 H new ATOM 955 N VAL A 60 2.546 -0.503 -4.059 1.00 0.00 N ATOM 956 CA VAL A 60 3.642 -0.693 -5.008 1.00 0.00 C ATOM 957 C VAL A 60 4.488 0.571 -5.077 1.00 0.00 C ATOM 958 O VAL A 60 3.990 1.647 -5.413 1.00 0.00 O ATOM 959 CB VAL A 60 3.085 -1.013 -6.394 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.232 -1.445 -7.310 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.063 -2.147 -6.284 1.00 0.00 C ATOM 0 H VAL A 60 1.778 0.069 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 60 4.261 -1.525 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 60 2.600 -0.129 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.840 -1.675 -8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.960 -0.638 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.714 -2.331 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.665 -2.376 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.546 -3.034 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.249 -1.841 -5.627 1.00 0.00 H new ATOM 971 N HIS A 61 5.768 0.436 -4.749 1.00 0.00 N ATOM 972 CA HIS A 61 6.683 1.571 -4.763 1.00 0.00 C ATOM 973 C HIS A 61 8.102 1.110 -5.086 1.00 0.00 C ATOM 974 O HIS A 61 8.465 -0.035 -4.823 1.00 0.00 O ATOM 975 CB HIS A 61 6.663 2.270 -3.394 1.00 0.00 C ATOM 976 CG HIS A 61 7.421 1.441 -2.385 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.787 1.584 -2.196 1.00 0.00 N ATOM 978 CD2 HIS A 61 7.025 0.452 -1.516 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.161 0.704 -1.250 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.125 -0.009 -0.799 1.00 0.00 N ATOM 0 H HIS A 61 6.195 -0.447 -4.470 1.00 0.00 H new ATOM 0 HA HIS A 61 6.360 2.271 -5.533 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.111 3.260 -3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.634 2.411 -3.063 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.398 2.238 -2.686 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.014 0.088 -1.406 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.175 0.588 -0.898 1.00 0.00 H new ATOM 989 N ASP A 62 8.900 2.012 -5.641 1.00 0.00 N ATOM 990 CA ASP A 62 10.280 1.690 -5.978 1.00 0.00 C ATOM 991 C ASP A 62 11.158 1.807 -4.741 1.00 0.00 C ATOM 992 O ASP A 62 11.171 2.839 -4.071 1.00 0.00 O ATOM 993 CB ASP A 62 10.792 2.640 -7.060 1.00 0.00 C ATOM 994 CG ASP A 62 12.089 2.110 -7.659 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.401 0.955 -7.424 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.756 2.871 -8.343 1.00 0.00 O ATOM 0 H ASP A 62 8.618 2.966 -5.866 1.00 0.00 H new ATOM 0 HA ASP A 62 10.319 0.667 -6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.041 2.750 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.958 3.630 -6.635 1.00 0.00 H new ATOM 1001 N SER A 63 11.887 0.741 -4.439 1.00 0.00 N ATOM 1002 CA SER A 63 12.762 0.732 -3.275 1.00 0.00 C ATOM 1003 C SER A 63 13.784 1.857 -3.368 1.00 0.00 C ATOM 1004 O SER A 63 14.104 2.497 -2.367 1.00 0.00 O ATOM 1005 CB SER A 63 13.491 -0.607 -3.175 1.00 0.00 C ATOM 1006 OG SER A 63 14.574 -0.483 -2.263 1.00 0.00 O ATOM 0 H SER A 63 11.890 -0.124 -4.980 1.00 0.00 H new ATOM 0 HA SER A 63 12.149 0.879 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.804 -1.384 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.859 -0.909 -4.156 1.00 0.00 H new ATOM 0 HG SER A 63 15.044 -1.340 -2.194 1.00 0.00 H new ATOM 1012 N LEU A 64 14.309 2.086 -4.568 1.00 0.00 N ATOM 1013 CA LEU A 64 15.308 3.131 -4.754 1.00 0.00 C ATOM 1014 C LEU A 64 14.743 4.497 -4.377 1.00 0.00 C ATOM 1015 O LEU A 64 15.345 5.228 -3.590 1.00 0.00 O ATOM 1016 CB LEU A 64 15.755 3.162 -6.224 1.00 0.00 C ATOM 1017 CG LEU A 64 16.797 4.273 -6.451 1.00 0.00 C ATOM 1018 CD1 LEU A 64 18.029 4.041 -5.557 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.218 4.271 -7.928 1.00 0.00 C ATOM 0 H LEU A 64 14.064 1.571 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 64 16.158 2.910 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.179 2.197 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.892 3.328 -6.869 1.00 0.00 H new ATOM 0 HG LEU A 64 16.358 5.237 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.757 4.834 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 64 17.725 4.047 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.478 3.078 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.956 5.055 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.652 3.304 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.345 4.453 -8.555 1.00 0.00 H new ATOM 1031 N LEU A 65 13.596 4.844 -4.950 1.00 0.00 N ATOM 1032 CA LEU A 65 12.981 6.137 -4.670 1.00 0.00 C ATOM 1033 C LEU A 65 12.532 6.217 -3.220 1.00 0.00 C ATOM 1034 O LEU A 65 12.740 7.226 -2.544 1.00 0.00 O ATOM 1035 CB LEU A 65 11.777 6.348 -5.588 1.00 0.00 C ATOM 1036 CG LEU A 65 12.234 6.347 -7.054 1.00 0.00 C ATOM 1037 CD1 LEU A 65 11.006 6.433 -7.968 1.00 0.00 C ATOM 1038 CD2 LEU A 65 13.170 7.540 -7.327 1.00 0.00 C ATOM 0 H LEU A 65 13.078 4.257 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 65 13.722 6.916 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.042 5.559 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.288 7.293 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 65 12.779 5.425 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.327 6.433 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.358 5.576 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.459 7.352 -7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.485 7.524 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.642 8.471 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 65 14.046 7.470 -6.683 1.00 0.00 H new ATOM 1050 N ILE A 66 11.915 5.142 -2.744 1.00 0.00 N ATOM 1051 CA ILE A 66 11.435 5.093 -1.366 1.00 0.00 C ATOM 1052 C ILE A 66 11.467 3.667 -0.850 1.00 0.00 C ATOM 1053 O ILE A 66 11.026 2.741 -1.530 1.00 0.00 O ATOM 1054 CB ILE A 66 10.013 5.638 -1.290 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.557 5.647 0.169 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.071 4.760 -2.125 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.265 6.452 0.297 1.00 0.00 C ATOM 0 H ILE A 66 11.736 4.297 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 66 12.087 5.708 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 66 9.990 6.653 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.397 4.626 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.332 6.082 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.057 5.156 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.400 4.759 -3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.086 3.741 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.941 6.457 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.440 7.476 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.491 5.998 -0.321 1.00 0.00 H new ATOM 1069 N SER A 67 11.997 3.484 0.356 1.00 0.00 N ATOM 1070 CA SER A 67 12.086 2.149 0.944 1.00 0.00 C ATOM 1071 C SER A 67 10.829 1.831 1.766 1.00 0.00 C ATOM 1072 O SER A 67 10.089 2.739 2.146 1.00 0.00 O ATOM 1073 CB SER A 67 13.331 2.044 1.837 1.00 0.00 C ATOM 1074 OG SER A 67 12.953 2.158 3.204 1.00 0.00 O ATOM 0 H SER A 67 12.368 4.233 0.940 1.00 0.00 H new ATOM 0 HA SER A 67 12.164 1.425 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.833 1.091 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.042 2.829 1.580 1.00 0.00 H new ATOM 0 HG SER A 67 13.756 2.249 3.759 1.00 0.00 H new ATOM 1080 N PRO A 68 10.579 0.568 2.057 1.00 0.00 N ATOM 1081 CA PRO A 68 9.387 0.152 2.867 1.00 0.00 C ATOM 1082 C PRO A 68 9.339 0.848 4.229 1.00 0.00 C ATOM 1083 O PRO A 68 8.263 1.145 4.750 1.00 0.00 O ATOM 1084 CB PRO A 68 9.567 -1.369 3.044 1.00 0.00 C ATOM 1085 CG PRO A 68 10.465 -1.791 1.928 1.00 0.00 C ATOM 1086 CD PRO A 68 11.386 -0.603 1.649 1.00 0.00 C ATOM 0 HA PRO A 68 8.453 0.422 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.007 -1.603 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.609 -1.887 2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.041 -2.674 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.887 -2.052 1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.312 -0.671 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.665 -0.551 0.597 1.00 0.00 H new ATOM 1094 N PHE A 69 10.511 1.082 4.809 1.00 0.00 N ATOM 1095 CA PHE A 69 10.592 1.719 6.119 1.00 0.00 C ATOM 1096 C PHE A 69 9.894 3.072 6.104 1.00 0.00 C ATOM 1097 O PHE A 69 9.205 3.435 7.054 1.00 0.00 O ATOM 1098 CB PHE A 69 12.057 1.904 6.522 1.00 0.00 C ATOM 1099 CG PHE A 69 12.690 0.555 6.772 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.554 -0.066 8.021 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.417 -0.075 5.754 1.00 0.00 C ATOM 1102 CE1 PHE A 69 13.143 -1.314 8.250 1.00 0.00 C ATOM 1103 CE2 PHE A 69 14.006 -1.324 5.985 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.868 -1.944 7.232 1.00 0.00 C ATOM 0 H PHE A 69 11.413 0.842 4.397 1.00 0.00 H new ATOM 0 HA PHE A 69 10.094 1.075 6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.597 2.430 5.735 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.123 2.519 7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.994 0.419 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.523 0.403 4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 69 13.038 -1.792 9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.567 -1.809 5.200 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.321 -2.908 7.409 1.00 0.00 H new ATOM 1114 N GLN A 70 10.074 3.817 5.023 1.00 0.00 N ATOM 1115 CA GLN A 70 9.457 5.127 4.909 1.00 0.00 C ATOM 1116 C GLN A 70 7.938 5.006 4.978 1.00 0.00 C ATOM 1117 O GLN A 70 7.276 5.779 5.671 1.00 0.00 O ATOM 1118 CB GLN A 70 9.864 5.765 3.579 1.00 0.00 C ATOM 1119 CG GLN A 70 9.365 7.209 3.518 1.00 0.00 C ATOM 1120 CD GLN A 70 10.087 8.059 4.558 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.313 8.150 4.543 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.395 8.690 5.467 1.00 0.00 N ATOM 0 H GLN A 70 10.637 3.539 4.220 1.00 0.00 H new ATOM 0 HA GLN A 70 9.795 5.752 5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.948 5.741 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.449 5.193 2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.534 7.618 2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.290 7.238 3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.378 8.613 5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.871 9.260 6.166 1.00 0.00 H new ATOM 1131 N ILE A 71 7.392 4.034 4.256 1.00 0.00 N ATOM 1132 CA ILE A 71 5.949 3.830 4.245 1.00 0.00 C ATOM 1133 C ILE A 71 5.453 3.426 5.630 1.00 0.00 C ATOM 1134 O ILE A 71 4.431 3.925 6.103 1.00 0.00 O ATOM 1135 CB ILE A 71 5.584 2.744 3.228 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.885 3.253 1.815 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.091 2.416 3.338 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.793 2.091 0.824 1.00 0.00 C ATOM 0 H ILE A 71 7.920 3.381 3.677 1.00 0.00 H new ATOM 0 HA ILE A 71 5.469 4.767 3.962 1.00 0.00 H new ATOM 0 HB ILE A 71 6.169 1.847 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.178 4.036 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.880 3.696 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.834 1.643 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.870 2.058 4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.506 3.313 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.007 2.453 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.517 1.323 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.789 1.668 0.851 1.00 0.00 H new ATOM 1150 N ALA A 72 6.179 2.518 6.274 1.00 0.00 N ATOM 1151 CA ALA A 72 5.797 2.051 7.602 1.00 0.00 C ATOM 1152 C ALA A 72 5.834 3.197 8.607 1.00 0.00 C ATOM 1153 O ALA A 72 4.938 3.336 9.440 1.00 0.00 O ATOM 1154 CB ALA A 72 6.747 0.943 8.053 1.00 0.00 C ATOM 0 H ALA A 72 7.029 2.094 5.902 1.00 0.00 H new ATOM 0 HA ALA A 72 4.780 1.663 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.458 0.597 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.696 0.112 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.766 1.328 8.086 1.00 0.00 H new ATOM 1160 N LYS A 73 6.872 4.020 8.516 1.00 0.00 N ATOM 1161 CA LYS A 73 7.009 5.156 9.418 1.00 0.00 C ATOM 1162 C LYS A 73 5.875 6.152 9.207 1.00 0.00 C ATOM 1163 O LYS A 73 5.350 6.719 10.164 1.00 0.00 O ATOM 1164 CB LYS A 73 8.358 5.849 9.198 1.00 0.00 C ATOM 1165 CG LYS A 73 9.484 4.982 9.768 1.00 0.00 C ATOM 1166 CD LYS A 73 10.831 5.658 9.507 1.00 0.00 C ATOM 1167 CE LYS A 73 11.959 4.751 9.998 1.00 0.00 C ATOM 1168 NZ LYS A 73 11.884 4.627 11.482 1.00 0.00 N ATOM 0 H LYS A 73 7.624 3.924 7.834 1.00 0.00 H new ATOM 0 HA LYS A 73 6.961 4.785 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.521 6.019 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.359 6.826 9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.339 4.837 10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.466 3.994 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.949 5.859 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.873 6.619 10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.877 3.768 9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.925 5.162 9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.788 4.264 11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.692 5.560 11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.119 3.970 11.737 1.00 0.00 H new ATOM 1182 N ALA A 74 5.504 6.367 7.950 1.00 0.00 N ATOM 1183 CA ALA A 74 4.435 7.308 7.634 1.00 0.00 C ATOM 1184 C ALA A 74 3.126 6.883 8.292 1.00 0.00 C ATOM 1185 O ALA A 74 2.416 7.704 8.872 1.00 0.00 O ATOM 1186 CB ALA A 74 4.245 7.379 6.118 1.00 0.00 C ATOM 0 H ALA A 74 5.922 5.908 7.141 1.00 0.00 H new ATOM 0 HA ALA A 74 4.714 8.289 8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.446 8.082 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.171 7.713 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.982 6.392 5.738 1.00 0.00 H new ATOM 1192 N LEU A 75 2.815 5.597 8.198 1.00 0.00 N ATOM 1193 CA LEU A 75 1.592 5.066 8.786 1.00 0.00 C ATOM 1194 C LEU A 75 1.620 5.205 10.306 1.00 0.00 C ATOM 1195 O LEU A 75 0.605 5.509 10.931 1.00 0.00 O ATOM 1196 CB LEU A 75 1.434 3.595 8.408 1.00 0.00 C ATOM 1197 CG LEU A 75 1.134 3.464 6.906 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.313 2.003 6.487 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.305 3.920 6.592 1.00 0.00 C ATOM 0 H LEU A 75 3.391 4.903 7.721 1.00 0.00 H new ATOM 0 HA LEU A 75 0.747 5.635 8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.345 3.049 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.627 3.147 8.988 1.00 0.00 H new ATOM 0 HG LEU A 75 1.823 4.101 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.102 1.901 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.338 1.691 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.626 1.375 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.494 3.818 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.012 3.302 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.428 4.963 6.884 1.00 0.00 H new ATOM 1211 N ASN A 76 2.787 4.974 10.895 1.00 0.00 N ATOM 1212 CA ASN A 76 2.930 5.068 12.341 1.00 0.00 C ATOM 1213 C ASN A 76 2.578 6.472 12.818 1.00 0.00 C ATOM 1214 O ASN A 76 1.960 6.640 13.869 1.00 0.00 O ATOM 1215 CB ASN A 76 4.364 4.732 12.747 1.00 0.00 C ATOM 1216 CG ASN A 76 4.751 3.359 12.211 1.00 0.00 C ATOM 1217 OD1 ASN A 76 5.910 2.957 12.313 1.00 0.00 O ATOM 1218 ND2 ASN A 76 3.847 2.610 11.640 1.00 0.00 N ATOM 0 H ASN A 76 3.641 4.722 10.398 1.00 0.00 H new ATOM 0 HA ASN A 76 2.248 4.355 12.805 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.047 5.488 12.359 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.456 4.746 13.833 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.101 1.691 11.278 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.887 2.944 11.556 1.00 0.00 H new ATOM 1225 N GLU A 77 2.969 7.476 12.044 1.00 0.00 N ATOM 1226 CA GLU A 77 2.677 8.859 12.408 1.00 0.00 C ATOM 1227 C GLU A 77 1.175 9.059 12.586 1.00 0.00 C ATOM 1228 O GLU A 77 0.740 9.845 13.428 1.00 0.00 O ATOM 1229 CB GLU A 77 3.196 9.811 11.329 1.00 0.00 C ATOM 1230 CG GLU A 77 4.725 9.810 11.339 1.00 0.00 C ATOM 1231 CD GLU A 77 5.254 10.694 10.214 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.444 11.236 9.481 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.464 10.818 10.104 1.00 0.00 O ATOM 0 H GLU A 77 3.483 7.363 11.170 1.00 0.00 H new ATOM 0 HA GLU A 77 3.178 9.077 13.351 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.828 9.503 10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.821 10.819 11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.091 10.172 12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.097 8.793 11.219 1.00 0.00 H new ATOM 1240 N ALA A 78 0.386 8.341 11.792 1.00 0.00 N ATOM 1241 CA ALA A 78 -1.071 8.444 11.871 1.00 0.00 C ATOM 1242 C ALA A 78 -1.614 7.501 12.943 1.00 0.00 C ATOM 1243 O ALA A 78 -2.704 6.948 12.801 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.695 8.093 10.518 1.00 0.00 C ATOM 0 H ALA A 78 0.727 7.685 11.090 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.331 9.469 12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.780 8.172 10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.328 8.783 9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.422 7.074 10.245 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.841 7.321 14.008 1.00 0.00 N ATOM 1251 CA ARG A 79 -1.246 6.439 15.100 1.00 0.00 C ATOM 1252 C ARG A 79 -1.565 5.042 14.578 1.00 0.00 C ATOM 1253 O ARG A 79 -2.235 4.256 15.250 1.00 0.00 O ATOM 1254 CB ARG A 79 -2.476 7.011 15.806 1.00 0.00 C ATOM 1255 CG ARG A 79 -2.089 8.286 16.552 1.00 0.00 C ATOM 1256 CD ARG A 79 -3.329 8.887 17.214 1.00 0.00 C ATOM 1257 NE ARG A 79 -4.251 9.388 16.201 1.00 0.00 N ATOM 1258 CZ ARG A 79 -5.396 9.968 16.542 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -5.708 10.106 17.801 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -6.207 10.405 15.617 1.00 0.00 N ATOM 0 H ARG A 79 0.065 7.771 14.140 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.418 6.370 15.806 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.259 7.226 15.078 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.882 6.278 16.503 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.333 8.064 17.305 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.648 9.005 15.861 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.825 8.133 17.826 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.036 9.697 17.882 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.012 9.291 15.214 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.072 9.768 18.524 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.587 10.552 18.063 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.961 10.301 14.633 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.086 10.850 15.879 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.079 4.733 13.374 1.00 0.00 N ATOM 1275 CA LEU A 80 -1.317 3.422 12.763 1.00 0.00 C ATOM 1276 C LEU A 80 -0.040 2.581 12.807 1.00 0.00 C ATOM 1277 O LEU A 80 0.842 2.715 11.957 1.00 0.00 O ATOM 1278 CB LEU A 80 -1.791 3.608 11.298 1.00 0.00 C ATOM 1279 CG LEU A 80 -3.311 3.400 11.185 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -4.030 4.543 11.902 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -3.711 3.390 9.705 1.00 0.00 C ATOM 0 H LEU A 80 -0.521 5.369 12.804 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.093 2.901 13.323 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.529 4.607 10.951 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.273 2.900 10.651 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.589 2.451 11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.108 4.400 11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.740 4.553 12.953 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.756 5.492 11.441 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.788 3.243 9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.438 4.341 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.192 2.579 9.193 1.00 0.00 H new ATOM 1293 N GLU A 81 0.038 1.705 13.799 1.00 0.00 N ATOM 1294 CA GLU A 81 1.192 0.835 13.955 1.00 0.00 C ATOM 1295 C GLU A 81 1.277 -0.133 12.784 1.00 0.00 C ATOM 1296 O GLU A 81 0.706 -1.223 12.830 1.00 0.00 O ATOM 1297 CB GLU A 81 1.066 0.041 15.253 1.00 0.00 C ATOM 1298 CG GLU A 81 0.954 1.007 16.429 1.00 0.00 C ATOM 1299 CD GLU A 81 0.828 0.231 17.734 1.00 0.00 C ATOM 1300 OE1 GLU A 81 0.901 -0.986 17.686 1.00 0.00 O ATOM 1301 OE2 GLU A 81 0.660 0.863 18.764 1.00 0.00 O ATOM 0 H GLU A 81 -0.685 1.579 14.507 1.00 0.00 H new ATOM 0 HA GLU A 81 2.093 1.447 13.984 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.189 -0.605 15.214 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.933 -0.607 15.382 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.832 1.653 16.464 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.087 1.654 16.297 1.00 0.00 H new ATOM 1308 N ALA A 82 1.991 0.269 11.737 1.00 0.00 N ATOM 1309 CA ALA A 82 2.151 -0.569 10.549 1.00 0.00 C ATOM 1310 C ALA A 82 3.496 -1.281 10.583 1.00 0.00 C ATOM 1311 O ALA A 82 4.528 -0.666 10.858 1.00 0.00 O ATOM 1312 CB ALA A 82 2.064 0.287 9.286 1.00 0.00 C ATOM 0 H ALA A 82 2.468 1.169 11.685 1.00 0.00 H new ATOM 0 HA ALA A 82 1.352 -1.310 10.540 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.184 -0.347 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.093 0.780 9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.853 1.039 9.301 1.00 0.00 H new ATOM 1318 N ASN A 83 3.479 -2.583 10.305 1.00 0.00 N ATOM 1319 CA ASN A 83 4.704 -3.386 10.302 1.00 0.00 C ATOM 1320 C ASN A 83 4.780 -4.230 9.037 1.00 0.00 C ATOM 1321 O ASN A 83 3.775 -4.770 8.580 1.00 0.00 O ATOM 1322 CB ASN A 83 4.732 -4.295 11.533 1.00 0.00 C ATOM 1323 CG ASN A 83 3.540 -5.247 11.510 1.00 0.00 C ATOM 1324 OD1 ASN A 83 3.480 -6.149 10.675 1.00 0.00 O ATOM 1325 ND2 ASN A 83 2.582 -5.095 12.382 1.00 0.00 N ATOM 0 H ASN A 83 2.633 -3.106 10.079 1.00 0.00 H new ATOM 0 HA ASN A 83 5.563 -2.715 10.329 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.661 -4.864 11.553 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.708 -3.692 12.441 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.780 -5.725 12.373 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.635 -4.346 13.073 1.00 0.00 H new ATOM 1332 N VAL A 84 5.977 -4.338 8.473 1.00 0.00 N ATOM 1333 CA VAL A 84 6.169 -5.118 7.256 1.00 0.00 C ATOM 1334 C VAL A 84 6.281 -6.601 7.587 1.00 0.00 C ATOM 1335 O VAL A 84 7.266 -7.045 8.174 1.00 0.00 O ATOM 1336 CB VAL A 84 7.443 -4.661 6.542 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.487 -5.268 5.139 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.450 -3.135 6.431 1.00 0.00 C ATOM 0 H VAL A 84 6.824 -3.899 8.835 1.00 0.00 H new ATOM 0 HA VAL A 84 5.308 -4.963 6.606 1.00 0.00 H new ATOM 0 HB VAL A 84 8.313 -4.989 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.394 -4.943 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.482 -6.355 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.616 -4.939 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.358 -2.811 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.579 -2.808 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.418 -2.697 7.429 1.00 0.00 H new ATOM 1348 N ARG A 85 5.261 -7.364 7.198 1.00 0.00 N ATOM 1349 CA ARG A 85 5.244 -8.802 7.451 1.00 0.00 C ATOM 1350 C ARG A 85 5.810 -9.116 8.835 1.00 0.00 C ATOM 1351 O ARG A 85 7.007 -9.355 8.986 1.00 0.00 O ATOM 1352 CB ARG A 85 6.065 -9.528 6.382 1.00 0.00 C ATOM 1353 CG ARG A 85 5.947 -11.042 6.579 1.00 0.00 C ATOM 1354 CD ARG A 85 6.743 -11.757 5.487 1.00 0.00 C ATOM 1355 NE ARG A 85 8.164 -11.464 5.629 1.00 0.00 N ATOM 1356 CZ ARG A 85 9.040 -11.856 4.709 1.00 0.00 C ATOM 1357 NH1 ARG A 85 8.632 -12.508 3.655 1.00 0.00 N ATOM 1358 NH2 ARG A 85 10.308 -11.586 4.860 1.00 0.00 N ATOM 0 H ARG A 85 4.439 -7.011 6.708 1.00 0.00 H new ATOM 0 HA ARG A 85 4.210 -9.145 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.711 -9.252 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.110 -9.224 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.324 -11.323 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.901 -11.345 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.577 -12.832 5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.395 -11.438 4.505 1.00 0.00 H new ATOM 0 HE ARG A 85 8.491 -10.950 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.641 -12.717 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.304 -12.809 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.626 -11.075 5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.981 -11.886 4.155 1.00 0.00 H new ATOM 1372 N VAL A 86 4.943 -9.102 9.841 1.00 0.00 N ATOM 1373 CA VAL A 86 5.370 -9.379 11.206 1.00 0.00 C ATOM 1374 C VAL A 86 5.818 -10.830 11.345 1.00 0.00 C ATOM 1375 O VAL A 86 5.178 -11.740 10.821 1.00 0.00 O ATOM 1376 CB VAL A 86 4.225 -9.097 12.178 1.00 0.00 C ATOM 1377 CG1 VAL A 86 3.101 -10.110 11.956 1.00 0.00 C ATOM 1378 CG2 VAL A 86 4.737 -9.211 13.615 1.00 0.00 C ATOM 0 H VAL A 86 3.948 -8.903 9.738 1.00 0.00 H new ATOM 0 HA VAL A 86 6.213 -8.729 11.442 1.00 0.00 H new ATOM 0 HB VAL A 86 3.844 -8.091 12.005 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.286 -9.907 12.650 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.735 -10.029 10.933 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.480 -11.118 12.127 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.921 -9.010 14.309 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.119 -10.217 13.786 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.536 -8.487 13.775 1.00 0.00 H new ATOM 1388 N ASN A 87 6.924 -11.037 12.052 1.00 0.00 N ATOM 1389 CA ASN A 87 7.450 -12.382 12.251 1.00 0.00 C ATOM 1390 C ASN A 87 6.524 -13.187 13.153 1.00 0.00 C ATOM 1391 O ASN A 87 6.212 -12.769 14.269 1.00 0.00 O ATOM 1392 CB ASN A 87 8.840 -12.307 12.882 1.00 0.00 C ATOM 1393 CG ASN A 87 9.835 -11.719 11.887 1.00 0.00 C ATOM 1394 OD1 ASN A 87 9.603 -11.757 10.680 1.00 0.00 O ATOM 1395 ND2 ASN A 87 10.935 -11.169 12.327 1.00 0.00 N ATOM 0 H ASN A 87 7.470 -10.297 12.494 1.00 0.00 H new ATOM 0 HA ASN A 87 7.516 -12.876 11.282 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.807 -11.693 13.782 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.164 -13.302 13.187 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.604 -10.770 11.669 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.125 -11.139 13.329 1.00 0.00 H new ATOM 1402 N GLY A 88 6.087 -14.344 12.664 1.00 0.00 N ATOM 1403 CA GLY A 88 5.194 -15.202 13.435 1.00 0.00 C ATOM 1404 C GLY A 88 5.983 -16.091 14.390 1.00 0.00 C ATOM 1405 O GLY A 88 5.426 -16.653 15.333 1.00 0.00 O ATOM 0 H GLY A 88 6.335 -14.707 11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.492 -14.589 13.999 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.605 -15.821 12.759 1.00 0.00 H new ATOM 1409 N GLU A 89 7.281 -16.216 14.139 1.00 0.00 N ATOM 1410 CA GLU A 89 8.130 -17.046 14.984 1.00 0.00 C ATOM 1411 C GLU A 89 8.129 -16.530 16.419 1.00 0.00 C ATOM 1412 O GLU A 89 7.762 -17.251 17.346 1.00 0.00 O ATOM 1413 CB GLU A 89 9.563 -17.044 14.447 1.00 0.00 C ATOM 1414 CG GLU A 89 9.601 -17.744 13.090 1.00 0.00 C ATOM 1415 CD GLU A 89 11.016 -17.704 12.521 1.00 0.00 C ATOM 1416 OE1 GLU A 89 11.896 -17.214 13.210 1.00 0.00 O ATOM 1417 OE2 GLU A 89 11.199 -18.166 11.408 1.00 0.00 O ATOM 0 H GLU A 89 7.764 -15.759 13.366 1.00 0.00 H new ATOM 0 HA GLU A 89 7.735 -18.062 14.973 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.925 -16.020 14.350 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.226 -17.551 15.148 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.272 -18.778 13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.910 -17.258 12.402 1.00 0.00 H new ATOM 1424 N THR A 90 8.532 -15.275 16.589 1.00 0.00 N ATOM 1425 CA THR A 90 8.571 -14.665 17.913 1.00 0.00 C ATOM 1426 C THR A 90 9.375 -15.530 18.881 1.00 0.00 C ATOM 1427 O THR A 90 9.652 -16.695 18.606 1.00 0.00 O ATOM 1428 CB THR A 90 7.147 -14.485 18.447 1.00 0.00 C ATOM 1429 OG1 THR A 90 6.407 -13.668 17.550 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.186 -13.821 19.828 1.00 0.00 C ATOM 0 H THR A 90 8.835 -14.663 15.831 1.00 0.00 H new ATOM 0 HA THR A 90 9.054 -13.691 17.829 1.00 0.00 H new ATOM 0 HB THR A 90 6.670 -15.461 18.534 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.495 -13.553 17.889 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.169 -13.697 20.201 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.751 -14.448 20.517 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.665 -12.845 19.749 1.00 0.00 H new ATOM 1438 N SER A 91 9.746 -14.949 20.019 1.00 0.00 N ATOM 1439 CA SER A 91 10.515 -15.677 21.025 1.00 0.00 C ATOM 1440 C SER A 91 10.230 -15.122 22.415 1.00 0.00 C ATOM 1441 O SER A 91 10.419 -13.933 22.671 1.00 0.00 O ATOM 1442 CB SER A 91 12.009 -15.562 20.725 1.00 0.00 C ATOM 1443 OG SER A 91 12.372 -14.188 20.673 1.00 0.00 O ATOM 0 H SER A 91 9.529 -13.984 20.267 1.00 0.00 H new ATOM 0 HA SER A 91 10.220 -16.726 20.995 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.587 -16.074 21.494 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.240 -16.047 19.777 1.00 0.00 H new ATOM 0 HG SER A 91 11.802 -13.676 21.283 1.00 0.00 H new ATOM 1449 N PHE A 92 9.773 -15.992 23.308 1.00 0.00 N ATOM 1450 CA PHE A 92 9.462 -15.583 24.673 1.00 0.00 C ATOM 1451 C PHE A 92 9.467 -16.791 25.602 1.00 0.00 C ATOM 1452 O PHE A 92 9.360 -17.932 25.151 1.00 0.00 O ATOM 1453 CB PHE A 92 8.091 -14.910 24.719 1.00 0.00 C ATOM 1454 CG PHE A 92 7.764 -14.525 26.144 1.00 0.00 C ATOM 1455 CD1 PHE A 92 8.408 -13.431 26.736 1.00 0.00 C ATOM 1456 CD2 PHE A 92 6.820 -15.259 26.873 1.00 0.00 C ATOM 1457 CE1 PHE A 92 8.108 -13.072 28.055 1.00 0.00 C ATOM 1458 CE2 PHE A 92 6.520 -14.898 28.192 1.00 0.00 C ATOM 1459 CZ PHE A 92 7.164 -13.805 28.783 1.00 0.00 C ATOM 0 H PHE A 92 9.610 -16.980 23.113 1.00 0.00 H new ATOM 0 HA PHE A 92 10.223 -14.876 25.004 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.087 -14.025 24.082 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.329 -15.586 24.330 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.136 -12.864 26.175 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.324 -16.103 26.418 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.605 -12.229 28.511 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.791 -15.463 28.754 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.932 -13.527 29.801 1.00 0.00 H new ATOM 1469 N LYS A 93 9.586 -16.532 26.902 1.00 0.00 N ATOM 1470 CA LYS A 93 9.598 -17.602 27.899 1.00 0.00 C ATOM 1471 C LYS A 93 8.727 -17.226 29.091 1.00 0.00 C ATOM 1472 O LYS A 93 8.727 -16.077 29.535 1.00 0.00 O ATOM 1473 CB LYS A 93 11.030 -17.852 28.369 1.00 0.00 C ATOM 1474 CG LYS A 93 11.855 -18.414 27.211 1.00 0.00 C ATOM 1475 CD LYS A 93 13.320 -18.551 27.642 1.00 0.00 C ATOM 1476 CE LYS A 93 13.452 -19.595 28.761 1.00 0.00 C ATOM 1477 NZ LYS A 93 13.218 -18.938 30.078 1.00 0.00 N ATOM 0 H LYS A 93 9.675 -15.593 27.290 1.00 0.00 H new ATOM 0 HA LYS A 93 9.200 -18.509 27.444 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.473 -16.924 28.729 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.033 -18.551 29.205 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.462 -19.385 26.909 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.780 -17.756 26.345 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.931 -18.844 26.788 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.696 -17.588 27.988 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.732 -20.400 28.610 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.444 -20.046 28.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.014 -19.143 30.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.138 -17.910 29.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.338 -19.302 30.496 1.00 0.00 H new ATOM 1491 N ASN A 94 7.986 -18.205 29.607 1.00 0.00 N ATOM 1492 CA ASN A 94 7.104 -17.981 30.755 1.00 0.00 C ATOM 1493 C ASN A 94 7.725 -18.552 32.023 1.00 0.00 C ATOM 1494 O ASN A 94 8.393 -19.586 31.988 1.00 0.00 O ATOM 1495 CB ASN A 94 5.748 -18.645 30.506 1.00 0.00 C ATOM 1496 CG ASN A 94 5.930 -20.145 30.303 1.00 0.00 C ATOM 1497 OD1 ASN A 94 6.486 -20.828 31.163 1.00 0.00 O ATOM 1498 ND2 ASN A 94 5.492 -20.701 29.207 1.00 0.00 N ATOM 0 H ASN A 94 7.978 -19.160 29.250 1.00 0.00 H new ATOM 0 HA ASN A 94 6.966 -16.907 30.882 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.084 -18.462 31.351 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.275 -18.206 29.628 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.610 -21.704 29.061 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.032 -20.133 28.496 1.00 0.00 H new ATOM 1505 N LYS A 95 7.497 -17.873 33.139 1.00 0.00 N ATOM 1506 CA LYS A 95 8.038 -18.320 34.415 1.00 0.00 C ATOM 1507 C LYS A 95 7.263 -19.527 34.931 1.00 0.00 C ATOM 1508 O LYS A 95 6.041 -19.593 34.804 1.00 0.00 O ATOM 1509 CB LYS A 95 7.959 -17.190 35.443 1.00 0.00 C ATOM 1510 CG LYS A 95 8.917 -16.062 35.039 1.00 0.00 C ATOM 1511 CD LYS A 95 8.789 -14.881 36.015 1.00 0.00 C ATOM 1512 CE LYS A 95 9.641 -15.132 37.265 1.00 0.00 C ATOM 1513 NZ LYS A 95 11.064 -15.316 36.866 1.00 0.00 N ATOM 0 H LYS A 95 6.945 -17.017 33.187 1.00 0.00 H new ATOM 0 HA LYS A 95 9.080 -18.604 34.265 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.939 -16.811 35.504 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.219 -17.566 36.433 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.943 -16.430 35.035 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.693 -15.731 34.025 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.109 -13.960 35.527 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.745 -14.746 36.299 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.551 -14.292 37.954 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.282 -16.017 37.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.684 -15.035 37.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.233 -16.315 36.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.270 -14.727 36.034 1.00 0.00 H new ATOM 1527 N TRP A 96 7.983 -20.479 35.517 1.00 0.00 N ATOM 1528 CA TRP A 96 7.356 -21.682 36.054 1.00 0.00 C ATOM 1529 C TRP A 96 6.829 -21.426 37.464 1.00 0.00 C ATOM 1530 O TRP A 96 6.854 -22.350 38.260 1.00 0.00 O ATOM 1531 CB TRP A 96 8.369 -22.826 36.086 1.00 0.00 C ATOM 1532 CG TRP A 96 8.784 -23.159 34.689 1.00 0.00 C ATOM 1533 CD1 TRP A 96 7.949 -23.580 33.711 1.00 0.00 C ATOM 1534 CD2 TRP A 96 10.115 -23.105 34.098 1.00 0.00 C ATOM 1535 NE1 TRP A 96 8.685 -23.791 32.557 1.00 0.00 N ATOM 1536 CE2 TRP A 96 10.023 -23.511 32.745 1.00 0.00 C ATOM 1537 CE3 TRP A 96 11.380 -22.748 34.599 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 11.146 -23.561 31.920 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 12.512 -22.797 33.770 1.00 0.00 C ATOM 1540 CH2 TRP A 96 12.396 -23.202 32.433 1.00 0.00 C ATOM 1541 OXT TRP A 96 6.413 -20.310 37.727 1.00 0.00 O ATOM 0 H TRP A 96 8.996 -20.441 35.632 1.00 0.00 H new ATOM 0 HA TRP A 96 6.520 -21.954 35.410 1.00 0.00 H new ATOM 0 HB2 TRP A 96 9.239 -22.540 36.677 1.00 0.00 H new ATOM 0 HB3 TRP A 96 7.931 -23.701 36.566 1.00 0.00 H new ATOM 0 HD1 TRP A 96 6.884 -23.727 33.813 1.00 0.00 H new ATOM 0 HE1 TRP A 96 8.287 -24.114 31.675 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.481 -22.434 35.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 11.051 -23.875 30.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.479 -22.521 34.165 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.271 -23.237 31.800 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -12.048 5.823 12.422 1.00 0.00 ZN HETATM 1554 O HOH A 301 -13.553 7.259 13.134 1.00 0.00 O