USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 60 THR OG1 : rot 180:sc= 0.252 USER MOD Set 1.2: A 61 GLN : amide:sc= -3.06! K(o=-2.8!,f=0.13) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -138:sc= -0.172 (180deg=-0.21) USER MOD Set 2.2: A 9 GLN : amide:sc= -4.66! C(o=-4.8!,f=-3.4!) USER MOD Single : A 6 LYS NZ :NH3+ -134:sc= 0.774 (180deg=0.00171) USER MOD Single : A 11 ASN : amide:sc= -7.16! C(o=-7.2!,f=-2.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 11:sc= 0.772 USER MOD Single : A 17 CYS SG : rot 140:sc= -2.81 USER MOD Single : A 22 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.3) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 2:sc= 0.353 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.375 USER MOD Single : A 56 ASN : amide:sc= -2.84! C(o=-2.8!,f=-9.1!) USER MOD Single : A 57 ASN : amide:sc= -5.73! C(o=-5.7!,f=-6.4!) USER MOD Single : A 58 ASN : amide:sc= -5.84! C(o=-5.8!,f=-5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0033 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= -6.84! (180deg=-7.06!) USER MOD Single : A 67 ASN : amide:sc= -0.102 K(o=-0.1,f=-1) USER MOD Single : A 69 THR OG1 : rot 170:sc= -0.455 USER MOD Single : A 70 HIS : no HD1:sc= -0.559 K(o=-0.56,f=-1.2!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.417 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 13.001 -1.752 -3.029 1.00 0.00 N ATOM 21 CA GLU A 2 11.770 -1.788 -3.868 1.00 0.00 C ATOM 22 C GLU A 2 10.895 -2.968 -3.439 1.00 0.00 C ATOM 23 O GLU A 2 11.338 -4.100 -3.404 1.00 0.00 O ATOM 24 CB GLU A 2 12.163 -1.950 -5.338 1.00 0.00 C ATOM 25 CG GLU A 2 10.962 -1.625 -6.229 1.00 0.00 C ATOM 26 CD GLU A 2 11.393 -1.660 -7.697 1.00 0.00 C ATOM 27 OE1 GLU A 2 11.362 -2.732 -8.278 1.00 0.00 O ATOM 28 OE2 GLU A 2 11.745 -0.613 -8.215 1.00 0.00 O ATOM 0 HA GLU A 2 11.213 -0.860 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.996 -1.289 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.502 -2.969 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.162 -2.345 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.565 -0.641 -5.979 1.00 0.00 H new ATOM 35 N TRP A 3 9.654 -2.714 -3.110 1.00 0.00 N ATOM 36 CA TRP A 3 8.745 -3.819 -2.680 1.00 0.00 C ATOM 37 C TRP A 3 7.896 -4.273 -3.869 1.00 0.00 C ATOM 38 O TRP A 3 7.931 -3.682 -4.931 1.00 0.00 O ATOM 39 CB TRP A 3 7.823 -3.313 -1.568 1.00 0.00 C ATOM 40 CG TRP A 3 8.645 -2.879 -0.397 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.405 -1.760 -0.353 1.00 0.00 C ATOM 42 CD2 TRP A 3 8.803 -3.532 0.896 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.019 -1.685 0.884 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.679 -2.754 1.689 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.275 -4.711 1.451 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.020 -3.133 2.988 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.617 -5.097 2.759 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.488 -4.309 3.525 1.00 0.00 C ATOM 0 H TRP A 3 9.230 -1.786 -3.121 1.00 0.00 H new ATOM 0 HA TRP A 3 9.339 -4.656 -2.314 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.221 -2.480 -1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.131 -4.100 -1.268 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.514 -1.043 -1.153 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.646 -0.932 1.167 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.603 -5.324 0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.690 -2.522 3.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.207 -6.005 3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.748 -4.610 4.529 1.00 0.00 H new ATOM 59 N TRP A 4 7.130 -5.319 -3.696 1.00 0.00 N ATOM 60 CA TRP A 4 6.264 -5.826 -4.805 1.00 0.00 C ATOM 61 C TRP A 4 4.896 -6.198 -4.237 1.00 0.00 C ATOM 62 O TRP A 4 4.794 -6.921 -3.265 1.00 0.00 O ATOM 63 CB TRP A 4 6.909 -7.065 -5.430 1.00 0.00 C ATOM 64 CG TRP A 4 8.285 -6.723 -5.907 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.383 -6.647 -5.120 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.728 -6.412 -7.260 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.472 -6.309 -5.903 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.119 -6.152 -7.229 1.00 0.00 C ATOM 69 CE3 TRP A 4 8.066 -6.329 -8.497 1.00 0.00 C ATOM 70 CZ2 TRP A 4 10.826 -5.824 -8.386 1.00 0.00 C ATOM 71 CZ3 TRP A 4 8.774 -5.999 -9.663 1.00 0.00 C ATOM 72 CH2 TRP A 4 10.153 -5.747 -9.608 1.00 0.00 C ATOM 0 H TRP A 4 7.066 -5.849 -2.827 1.00 0.00 H new ATOM 0 HA TRP A 4 6.151 -5.054 -5.567 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.956 -7.872 -4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.303 -7.424 -6.262 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.405 -6.822 -4.054 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.420 -6.190 -5.545 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.004 -6.521 -8.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 11.887 -5.631 -8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.254 -5.939 -10.608 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.693 -5.494 -10.508 1.00 0.00 H new ATOM 83 N VAL A 5 3.839 -5.707 -4.825 1.00 0.00 N ATOM 84 CA VAL A 5 2.484 -6.034 -4.302 1.00 0.00 C ATOM 85 C VAL A 5 2.082 -7.445 -4.736 1.00 0.00 C ATOM 86 O VAL A 5 2.366 -7.872 -5.838 1.00 0.00 O ATOM 87 CB VAL A 5 1.469 -5.028 -4.845 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.783 -3.634 -4.298 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.542 -5.001 -6.372 1.00 0.00 C ATOM 0 H VAL A 5 3.856 -5.096 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 5 2.502 -5.985 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 5 0.467 -5.324 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.058 -2.919 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.730 -3.650 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.786 -3.339 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.818 -4.284 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.545 -4.708 -6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.315 -5.992 -6.765 1.00 0.00 H new ATOM 99 N LYS A 6 1.410 -8.167 -3.875 1.00 0.00 N ATOM 100 CA LYS A 6 0.962 -9.554 -4.219 1.00 0.00 C ATOM 101 C LYS A 6 -0.548 -9.534 -4.457 1.00 0.00 C ATOM 102 O LYS A 6 -1.076 -10.284 -5.252 1.00 0.00 O ATOM 103 CB LYS A 6 1.281 -10.495 -3.054 1.00 0.00 C ATOM 104 CG LYS A 6 1.093 -11.945 -3.503 1.00 0.00 C ATOM 105 CD LYS A 6 1.513 -12.888 -2.374 1.00 0.00 C ATOM 106 CE LYS A 6 1.374 -14.338 -2.842 1.00 0.00 C ATOM 107 NZ LYS A 6 1.596 -15.257 -1.689 1.00 0.00 N ATOM 0 H LYS A 6 1.150 -7.853 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 6 1.477 -9.902 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.305 -10.338 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.629 -10.278 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.051 -12.122 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.688 -12.141 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.544 -12.686 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.893 -12.718 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.383 -14.501 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.096 -14.547 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.236 -16.025 -1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.021 -14.728 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.686 -15.659 -1.385 1.00 0.00 H new ATOM 121 N LYS A 7 -1.243 -8.670 -3.768 1.00 0.00 N ATOM 122 CA LYS A 7 -2.720 -8.575 -3.939 1.00 0.00 C ATOM 123 C LYS A 7 -3.174 -7.173 -3.524 1.00 0.00 C ATOM 124 O LYS A 7 -2.441 -6.439 -2.892 1.00 0.00 O ATOM 125 CB LYS A 7 -3.403 -9.622 -3.054 1.00 0.00 C ATOM 126 CG LYS A 7 -4.858 -9.801 -3.494 1.00 0.00 C ATOM 127 CD LYS A 7 -5.490 -10.944 -2.701 1.00 0.00 C ATOM 128 CE LYS A 7 -6.916 -11.185 -3.201 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.778 -10.030 -2.820 1.00 0.00 N ATOM 0 H LYS A 7 -0.847 -8.021 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.989 -8.757 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.873 -10.572 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.365 -9.311 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.415 -8.879 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.903 -10.016 -4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.896 -11.851 -2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.502 -10.701 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.917 -11.311 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.312 -12.105 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.698 -10.379 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.316 -9.487 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.922 -9.417 -3.647 1.00 0.00 H new ATOM 143 N VAL A 8 -4.371 -6.790 -3.875 1.00 0.00 N ATOM 144 CA VAL A 8 -4.851 -5.430 -3.495 1.00 0.00 C ATOM 145 C VAL A 8 -6.379 -5.385 -3.547 1.00 0.00 C ATOM 146 O VAL A 8 -7.009 -6.124 -4.277 1.00 0.00 O ATOM 147 CB VAL A 8 -4.275 -4.397 -4.467 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.603 -4.809 -5.904 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.887 -3.020 -4.178 1.00 0.00 C ATOM 0 H VAL A 8 -5.034 -7.355 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.521 -5.202 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.194 -4.346 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.193 -4.073 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.166 -5.786 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.684 -4.862 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.476 -2.286 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.969 -3.069 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.652 -2.725 -3.155 1.00 0.00 H new ATOM 159 N GLN A 9 -6.975 -4.512 -2.774 1.00 0.00 N ATOM 160 CA GLN A 9 -8.466 -4.392 -2.760 1.00 0.00 C ATOM 161 C GLN A 9 -8.849 -2.910 -2.806 1.00 0.00 C ATOM 162 O GLN A 9 -8.349 -2.107 -2.043 1.00 0.00 O ATOM 163 CB GLN A 9 -9.014 -5.019 -1.476 1.00 0.00 C ATOM 164 CG GLN A 9 -8.334 -6.369 -1.237 1.00 0.00 C ATOM 165 CD GLN A 9 -9.046 -7.106 -0.102 1.00 0.00 C ATOM 166 OE1 GLN A 9 -9.428 -6.506 0.883 1.00 0.00 O ATOM 167 NE2 GLN A 9 -9.242 -8.393 -0.198 1.00 0.00 N ATOM 0 H GLN A 9 -6.488 -3.872 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.886 -4.908 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.836 -4.355 -0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.093 -5.152 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.362 -6.968 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.284 -6.220 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.922 -8.897 -1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.716 -8.894 0.554 1.00 0.00 H new ATOM 176 N ASP A 10 -9.727 -2.541 -3.697 1.00 0.00 N ATOM 177 CA ASP A 10 -10.136 -1.110 -3.793 1.00 0.00 C ATOM 178 C ASP A 10 -10.653 -0.631 -2.436 1.00 0.00 C ATOM 179 O ASP A 10 -10.815 -1.404 -1.513 1.00 0.00 O ATOM 180 CB ASP A 10 -11.242 -0.964 -4.840 1.00 0.00 C ATOM 181 CG ASP A 10 -12.363 -1.960 -4.540 1.00 0.00 C ATOM 182 OD1 ASP A 10 -12.052 -3.082 -4.178 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.515 -1.583 -4.678 1.00 0.00 O ATOM 0 H ASP A 10 -10.179 -3.167 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.276 -0.508 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.633 0.053 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.839 -1.143 -5.837 1.00 0.00 H new ATOM 188 N ASN A 11 -10.911 0.643 -2.307 1.00 0.00 N ATOM 189 CA ASN A 11 -11.417 1.174 -1.010 1.00 0.00 C ATOM 190 C ASN A 11 -12.913 0.880 -0.888 1.00 0.00 C ATOM 191 O ASN A 11 -13.719 1.772 -0.712 1.00 0.00 O ATOM 192 CB ASN A 11 -11.187 2.687 -0.955 1.00 0.00 C ATOM 193 CG ASN A 11 -11.596 3.314 -2.289 1.00 0.00 C ATOM 194 OD1 ASN A 11 -11.311 4.467 -2.544 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.257 2.599 -3.158 1.00 0.00 N ATOM 0 H ASN A 11 -10.793 1.338 -3.044 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.885 0.695 -0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.767 3.124 -0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.138 2.899 -0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.534 3.008 -4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.497 1.631 -2.945 1.00 0.00 H new ATOM 202 N ALA A 12 -13.291 -0.364 -0.980 1.00 0.00 N ATOM 203 CA ALA A 12 -14.734 -0.716 -0.869 1.00 0.00 C ATOM 204 C ALA A 12 -15.261 -0.273 0.497 1.00 0.00 C ATOM 205 O ALA A 12 -16.450 -0.282 0.746 1.00 0.00 O ATOM 206 CB ALA A 12 -14.904 -2.228 -1.018 1.00 0.00 C ATOM 0 H ALA A 12 -12.662 -1.153 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.294 -0.211 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.960 -2.485 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.528 -2.542 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.345 -2.736 -0.232 1.00 0.00 H new ATOM 212 N SER A 13 -14.386 0.112 1.387 1.00 0.00 N ATOM 213 CA SER A 13 -14.838 0.553 2.738 1.00 0.00 C ATOM 214 C SER A 13 -15.283 2.016 2.675 1.00 0.00 C ATOM 215 O SER A 13 -16.332 2.376 3.169 1.00 0.00 O ATOM 216 CB SER A 13 -13.683 0.415 3.731 1.00 0.00 C ATOM 217 OG SER A 13 -13.480 -0.961 4.026 1.00 0.00 O ATOM 0 H SER A 13 -13.378 0.140 1.237 1.00 0.00 H new ATOM 0 HA SER A 13 -15.673 -0.067 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.774 0.847 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.906 0.966 4.645 1.00 0.00 H new ATOM 0 HG SER A 13 -12.739 -1.054 4.661 1.00 0.00 H new ATOM 223 N ALA A 14 -14.492 2.860 2.066 1.00 0.00 N ATOM 224 CA ALA A 14 -14.862 4.301 1.966 1.00 0.00 C ATOM 225 C ALA A 14 -13.718 5.068 1.296 1.00 0.00 C ATOM 226 O ALA A 14 -13.898 5.712 0.281 1.00 0.00 O ATOM 227 CB ALA A 14 -15.111 4.867 3.372 1.00 0.00 C ATOM 0 H ALA A 14 -13.603 2.612 1.632 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.770 4.407 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.381 5.920 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.923 4.317 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.206 4.766 3.970 1.00 0.00 H new ATOM 233 N SER A 15 -12.542 5.003 1.858 1.00 0.00 N ATOM 234 CA SER A 15 -11.383 5.726 1.260 1.00 0.00 C ATOM 235 C SER A 15 -10.083 5.074 1.728 1.00 0.00 C ATOM 236 O SER A 15 -9.059 5.721 1.839 1.00 0.00 O ATOM 237 CB SER A 15 -11.409 7.188 1.709 1.00 0.00 C ATOM 238 OG SER A 15 -12.450 7.873 1.025 1.00 0.00 O ATOM 0 H SER A 15 -12.333 4.479 2.708 1.00 0.00 H new ATOM 0 HA SER A 15 -11.445 5.678 0.173 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.566 7.247 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.449 7.661 1.501 1.00 0.00 H new ATOM 0 HG SER A 15 -13.022 7.224 0.565 1.00 0.00 H new ATOM 244 N LEU A 16 -10.118 3.794 2.004 1.00 0.00 N ATOM 245 CA LEU A 16 -8.889 3.076 2.470 1.00 0.00 C ATOM 246 C LEU A 16 -8.725 1.784 1.669 1.00 0.00 C ATOM 247 O LEU A 16 -9.551 0.895 1.735 1.00 0.00 O ATOM 248 CB LEU A 16 -9.031 2.727 3.955 1.00 0.00 C ATOM 249 CG LEU A 16 -9.176 4.008 4.790 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.719 3.651 6.175 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.813 4.700 4.948 1.00 0.00 C ATOM 0 H LEU A 16 -10.951 3.211 1.926 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.019 3.717 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.901 2.087 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.160 2.164 4.289 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.863 4.684 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.823 4.558 6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.692 3.171 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.029 2.969 6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.932 5.606 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.119 4.026 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.421 4.959 3.965 1.00 0.00 H new ATOM 263 N CYS A 17 -7.658 1.669 0.920 1.00 0.00 N ATOM 264 CA CYS A 17 -7.425 0.432 0.116 1.00 0.00 C ATOM 265 C CYS A 17 -6.402 -0.439 0.843 1.00 0.00 C ATOM 266 O CYS A 17 -5.529 0.061 1.517 1.00 0.00 O ATOM 267 CB CYS A 17 -6.882 0.822 -1.264 1.00 0.00 C ATOM 268 SG CYS A 17 -7.750 2.297 -1.851 1.00 0.00 S ATOM 0 H CYS A 17 -6.935 2.383 0.831 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.358 -0.119 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.811 1.015 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.019 0.001 -1.967 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.905 3.094 -2.436 1.00 0.00 H new ATOM 274 N ARG A 18 -6.502 -1.738 0.716 1.00 0.00 N ATOM 275 CA ARG A 18 -5.529 -2.645 1.404 1.00 0.00 C ATOM 276 C ARG A 18 -4.582 -3.241 0.366 1.00 0.00 C ATOM 277 O ARG A 18 -4.999 -3.664 -0.694 1.00 0.00 O ATOM 278 CB ARG A 18 -6.293 -3.772 2.102 1.00 0.00 C ATOM 279 CG ARG A 18 -5.299 -4.745 2.740 1.00 0.00 C ATOM 280 CD ARG A 18 -6.051 -5.728 3.640 1.00 0.00 C ATOM 281 NE ARG A 18 -6.881 -6.636 2.799 1.00 0.00 N ATOM 282 CZ ARG A 18 -6.325 -7.640 2.179 1.00 0.00 C ATOM 283 NH1 ARG A 18 -5.042 -7.849 2.295 1.00 0.00 N ATOM 284 NH2 ARG A 18 -7.051 -8.436 1.442 1.00 0.00 N ATOM 0 H ARG A 18 -7.217 -2.212 0.164 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.958 -2.082 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.954 -3.360 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.923 -4.298 1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.757 -5.287 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.559 -4.196 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.344 -6.309 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.684 -5.184 4.341 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.884 -6.472 2.708 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.474 -7.227 2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.607 -8.634 1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.054 -8.273 1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.616 -9.221 0.957 1.00 0.00 H new ATOM 298 N VAL A 19 -3.305 -3.274 0.662 1.00 0.00 N ATOM 299 CA VAL A 19 -2.314 -3.842 -0.308 1.00 0.00 C ATOM 300 C VAL A 19 -1.375 -4.809 0.409 1.00 0.00 C ATOM 301 O VAL A 19 -0.891 -4.538 1.491 1.00 0.00 O ATOM 302 CB VAL A 19 -1.478 -2.713 -0.915 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.391 -1.725 -1.639 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.719 -1.986 0.196 1.00 0.00 C ATOM 0 H VAL A 19 -2.905 -2.931 1.535 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.858 -4.368 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.768 -3.134 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.791 -0.923 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.929 -2.242 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.105 -1.304 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.123 -1.182 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.430 -1.568 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.062 -2.689 0.708 1.00 0.00 H new ATOM 314 N VAL A 20 -1.097 -5.931 -0.199 1.00 0.00 N ATOM 315 CA VAL A 20 -0.165 -6.915 0.423 1.00 0.00 C ATOM 316 C VAL A 20 1.227 -6.695 -0.170 1.00 0.00 C ATOM 317 O VAL A 20 1.449 -6.918 -1.342 1.00 0.00 O ATOM 318 CB VAL A 20 -0.636 -8.338 0.113 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.090 -9.328 1.027 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.144 -8.439 0.353 1.00 0.00 C ATOM 0 H VAL A 20 -1.477 -6.209 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.141 -6.780 1.504 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.415 -8.574 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.246 -10.341 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.165 -9.257 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.131 -9.092 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.480 -9.452 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.363 -8.202 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.664 -7.735 -0.296 1.00 0.00 H new ATOM 330 N LEU A 21 2.163 -6.237 0.620 1.00 0.00 N ATOM 331 CA LEU A 21 3.537 -5.979 0.085 1.00 0.00 C ATOM 332 C LEU A 21 4.440 -7.183 0.354 1.00 0.00 C ATOM 333 O LEU A 21 4.586 -7.629 1.475 1.00 0.00 O ATOM 334 CB LEU A 21 4.123 -4.748 0.780 1.00 0.00 C ATOM 335 CG LEU A 21 3.070 -3.641 0.832 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.685 -2.387 1.456 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.584 -3.327 -0.588 1.00 0.00 C ATOM 0 H LEU A 21 2.038 -6.030 1.611 1.00 0.00 H new ATOM 0 HA LEU A 21 3.476 -5.810 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.445 -5.006 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.005 -4.400 0.243 1.00 0.00 H new ATOM 0 HG LEU A 21 2.224 -3.969 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.937 -1.595 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.026 -2.613 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.531 -2.058 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.833 -2.538 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.426 -2.997 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.146 -4.223 -1.029 1.00 0.00 H new ATOM 349 N GLN A 22 5.051 -7.709 -0.679 1.00 0.00 N ATOM 350 CA GLN A 22 5.959 -8.886 -0.517 1.00 0.00 C ATOM 351 C GLN A 22 7.413 -8.419 -0.570 1.00 0.00 C ATOM 352 O GLN A 22 7.737 -7.438 -1.212 1.00 0.00 O ATOM 353 CB GLN A 22 5.704 -9.880 -1.652 1.00 0.00 C ATOM 354 CG GLN A 22 6.597 -11.109 -1.465 1.00 0.00 C ATOM 355 CD GLN A 22 6.123 -12.229 -2.393 1.00 0.00 C ATOM 356 OE1 GLN A 22 4.960 -12.580 -2.396 1.00 0.00 O ATOM 357 NE2 GLN A 22 6.982 -12.810 -3.185 1.00 0.00 N ATOM 0 H GLN A 22 4.958 -7.370 -1.636 1.00 0.00 H new ATOM 0 HA GLN A 22 5.766 -9.366 0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.655 -10.177 -1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.910 -9.411 -2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.634 -10.855 -1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.563 -11.442 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.958 -12.515 -3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.677 -13.559 -3.807 1.00 0.00 H new ATOM 366 N SER A 23 8.295 -9.115 0.100 1.00 0.00 N ATOM 367 CA SER A 23 9.735 -8.718 0.093 1.00 0.00 C ATOM 368 C SER A 23 10.611 -9.973 0.134 1.00 0.00 C ATOM 369 O SER A 23 10.869 -10.526 1.183 1.00 0.00 O ATOM 370 CB SER A 23 10.030 -7.853 1.321 1.00 0.00 C ATOM 371 OG SER A 23 11.417 -7.928 1.625 1.00 0.00 O ATOM 0 H SER A 23 8.079 -9.944 0.654 1.00 0.00 H new ATOM 0 HA SER A 23 9.951 -8.152 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.743 -6.819 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.440 -8.195 2.171 1.00 0.00 H new ATOM 0 HG SER A 23 11.610 -7.374 2.410 1.00 0.00 H new ATOM 377 N GLY A 24 11.070 -10.423 -1.002 1.00 0.00 N ATOM 378 CA GLY A 24 11.930 -11.640 -1.029 1.00 0.00 C ATOM 379 C GLY A 24 11.076 -12.878 -0.748 1.00 0.00 C ATOM 380 O GLY A 24 11.033 -13.805 -1.531 1.00 0.00 O ATOM 0 H GLY A 24 10.887 -10.001 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.415 -11.733 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.721 -11.555 -0.284 1.00 0.00 H new ATOM 384 N ALA A 25 10.396 -12.899 0.365 1.00 0.00 N ATOM 385 CA ALA A 25 9.546 -14.076 0.698 1.00 0.00 C ATOM 386 C ALA A 25 8.556 -13.697 1.800 1.00 0.00 C ATOM 387 O ALA A 25 7.443 -14.181 1.842 1.00 0.00 O ATOM 388 CB ALA A 25 10.433 -15.226 1.182 1.00 0.00 C ATOM 0 H ALA A 25 10.392 -12.151 1.059 1.00 0.00 H new ATOM 0 HA ALA A 25 8.997 -14.389 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.811 -16.087 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.137 -15.498 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.983 -14.913 2.069 1.00 0.00 H new ATOM 394 N LEU A 26 8.952 -12.833 2.695 1.00 0.00 N ATOM 395 CA LEU A 26 8.032 -12.424 3.793 1.00 0.00 C ATOM 396 C LEU A 26 6.907 -11.563 3.214 1.00 0.00 C ATOM 397 O LEU A 26 7.135 -10.713 2.375 1.00 0.00 O ATOM 398 CB LEU A 26 8.810 -11.619 4.841 1.00 0.00 C ATOM 399 CG LEU A 26 9.619 -12.569 5.731 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.674 -13.295 4.890 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.310 -11.762 6.834 1.00 0.00 C ATOM 0 H LEU A 26 9.872 -12.393 2.713 1.00 0.00 H new ATOM 0 HA LEU A 26 7.607 -13.310 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.477 -10.912 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.120 -11.035 5.450 1.00 0.00 H new ATOM 0 HG LEU A 26 8.950 -13.304 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.246 -13.969 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.182 -13.869 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.346 -12.564 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.887 -12.434 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.977 -11.027 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.559 -11.250 7.435 1.00 0.00 H new ATOM 413 N GLU A 27 5.693 -11.774 3.658 1.00 0.00 N ATOM 414 CA GLU A 27 4.541 -10.971 3.144 1.00 0.00 C ATOM 415 C GLU A 27 4.160 -9.922 4.187 1.00 0.00 C ATOM 416 O GLU A 27 4.423 -10.080 5.362 1.00 0.00 O ATOM 417 CB GLU A 27 3.347 -11.898 2.894 1.00 0.00 C ATOM 418 CG GLU A 27 3.823 -13.158 2.168 1.00 0.00 C ATOM 419 CD GLU A 27 2.619 -14.043 1.838 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.628 -13.947 2.543 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.708 -14.800 0.885 1.00 0.00 O ATOM 0 H GLU A 27 5.449 -12.473 4.360 1.00 0.00 H new ATOM 0 HA GLU A 27 4.820 -10.479 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.877 -12.166 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.593 -11.385 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.350 -12.886 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.530 -13.705 2.792 1.00 0.00 H new ATOM 428 N MET A 28 3.542 -8.848 3.770 1.00 0.00 N ATOM 429 CA MET A 28 3.146 -7.785 4.740 1.00 0.00 C ATOM 430 C MET A 28 1.808 -7.181 4.310 1.00 0.00 C ATOM 431 O MET A 28 1.509 -7.093 3.137 1.00 0.00 O ATOM 432 CB MET A 28 4.218 -6.695 4.756 1.00 0.00 C ATOM 433 CG MET A 28 5.589 -7.327 5.010 1.00 0.00 C ATOM 434 SD MET A 28 6.775 -6.036 5.458 1.00 0.00 S ATOM 435 CE MET A 28 8.053 -7.126 6.132 1.00 0.00 C ATOM 0 H MET A 28 3.294 -8.661 2.798 1.00 0.00 H new ATOM 0 HA MET A 28 3.047 -8.214 5.737 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.223 -6.161 3.806 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.995 -5.962 5.532 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.519 -8.064 5.810 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.929 -7.855 4.119 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.897 -6.528 6.476 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.644 -7.692 6.969 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.388 -7.816 5.358 1.00 0.00 H new ATOM 445 N ILE A 29 1.009 -6.755 5.258 1.00 0.00 N ATOM 446 CA ILE A 29 -0.317 -6.138 4.931 1.00 0.00 C ATOM 447 C ILE A 29 -0.312 -4.703 5.444 1.00 0.00 C ATOM 448 O ILE A 29 0.174 -4.428 6.524 1.00 0.00 O ATOM 449 CB ILE A 29 -1.439 -6.924 5.622 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.562 -8.307 4.978 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.764 -6.169 5.469 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.513 -9.177 5.804 1.00 0.00 C ATOM 0 H ILE A 29 1.220 -6.809 6.254 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.485 -6.157 3.854 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.206 -7.034 6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.934 -8.212 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.581 -8.779 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.560 -6.728 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.676 -5.184 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.999 -6.057 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.599 -10.161 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.123 -9.283 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.496 -8.707 5.842 1.00 0.00 H new ATOM 464 N ALA A 30 -0.831 -3.775 4.684 1.00 0.00 N ATOM 465 CA ALA A 30 -0.827 -2.358 5.149 1.00 0.00 C ATOM 466 C ALA A 30 -2.047 -1.610 4.624 1.00 0.00 C ATOM 467 O ALA A 30 -2.441 -1.757 3.484 1.00 0.00 O ATOM 468 CB ALA A 30 0.444 -1.675 4.641 1.00 0.00 C ATOM 0 H ALA A 30 -1.254 -3.935 3.770 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.858 -2.344 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.458 -0.638 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.318 -2.194 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.463 -1.706 3.552 1.00 0.00 H new ATOM 474 N GLU A 31 -2.633 -0.786 5.451 1.00 0.00 N ATOM 475 CA GLU A 31 -3.811 0.004 5.005 1.00 0.00 C ATOM 476 C GLU A 31 -3.294 1.198 4.196 1.00 0.00 C ATOM 477 O GLU A 31 -2.353 1.859 4.586 1.00 0.00 O ATOM 478 CB GLU A 31 -4.599 0.488 6.233 1.00 0.00 C ATOM 479 CG GLU A 31 -5.629 -0.570 6.647 1.00 0.00 C ATOM 480 CD GLU A 31 -6.115 -0.285 8.070 1.00 0.00 C ATOM 481 OE1 GLU A 31 -6.340 0.874 8.377 1.00 0.00 O ATOM 482 OE2 GLU A 31 -6.252 -1.231 8.828 1.00 0.00 O ATOM 0 H GLU A 31 -2.345 -0.628 6.416 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.476 -0.602 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.916 0.685 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.102 1.428 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.472 -0.562 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.185 -1.564 6.596 1.00 0.00 H new ATOM 489 N ILE A 32 -3.890 1.455 3.061 1.00 0.00 N ATOM 490 CA ILE A 32 -3.434 2.582 2.183 1.00 0.00 C ATOM 491 C ILE A 32 -4.562 3.614 2.048 1.00 0.00 C ATOM 492 O ILE A 32 -5.728 3.276 2.034 1.00 0.00 O ATOM 493 CB ILE A 32 -3.058 1.977 0.803 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.547 1.688 0.747 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.424 2.917 -0.354 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.118 0.843 1.955 1.00 0.00 C ATOM 0 H ILE A 32 -4.684 0.927 2.698 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.569 3.091 2.608 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.626 1.054 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.305 1.162 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.991 2.626 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.144 2.455 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.498 3.104 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.890 3.861 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.047 0.647 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.342 1.383 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.660 -0.103 1.949 1.00 0.00 H new ATOM 508 N GLU A 33 -4.205 4.871 1.935 1.00 0.00 N ATOM 509 CA GLU A 33 -5.226 5.956 1.781 1.00 0.00 C ATOM 510 C GLU A 33 -4.978 6.674 0.450 1.00 0.00 C ATOM 511 O GLU A 33 -4.085 7.489 0.331 1.00 0.00 O ATOM 512 CB GLU A 33 -5.087 6.949 2.943 1.00 0.00 C ATOM 513 CG GLU A 33 -3.608 7.108 3.308 1.00 0.00 C ATOM 514 CD GLU A 33 -3.425 8.357 4.173 1.00 0.00 C ATOM 515 OE1 GLU A 33 -4.095 9.341 3.908 1.00 0.00 O ATOM 516 OE2 GLU A 33 -2.618 8.307 5.087 1.00 0.00 O ATOM 0 H GLU A 33 -3.238 5.195 1.943 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.231 5.535 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.509 7.914 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.649 6.595 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.259 6.226 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.006 7.189 2.403 1.00 0.00 H new ATOM 523 N ALA A 34 -5.757 6.371 -0.557 1.00 0.00 N ATOM 524 CA ALA A 34 -5.560 7.030 -1.885 1.00 0.00 C ATOM 525 C ALA A 34 -6.919 7.254 -2.552 1.00 0.00 C ATOM 526 O ALA A 34 -7.956 7.110 -1.936 1.00 0.00 O ATOM 527 CB ALA A 34 -4.701 6.126 -2.775 1.00 0.00 C ATOM 0 H ALA A 34 -6.521 5.696 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.062 7.989 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.555 6.603 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.733 5.963 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.203 5.169 -2.914 1.00 0.00 H new ATOM 533 N CYS A 35 -6.919 7.607 -3.810 1.00 0.00 N ATOM 534 CA CYS A 35 -8.206 7.846 -4.531 1.00 0.00 C ATOM 535 C CYS A 35 -8.049 7.425 -5.993 1.00 0.00 C ATOM 536 O CYS A 35 -9.014 7.285 -6.718 1.00 0.00 O ATOM 537 CB CYS A 35 -8.560 9.333 -4.463 1.00 0.00 C ATOM 538 SG CYS A 35 -8.898 9.796 -2.747 1.00 0.00 S ATOM 0 H CYS A 35 -6.079 7.741 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.001 7.264 -4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.739 9.931 -4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.431 9.539 -5.085 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.720 8.765 -1.976 1.00 0.00 H new ATOM 544 N ARG A 36 -6.837 7.218 -6.430 1.00 0.00 N ATOM 545 CA ARG A 36 -6.613 6.800 -7.842 1.00 0.00 C ATOM 546 C ARG A 36 -7.039 5.340 -8.009 1.00 0.00 C ATOM 547 O ARG A 36 -7.539 4.943 -9.043 1.00 0.00 O ATOM 548 CB ARG A 36 -5.129 6.941 -8.185 1.00 0.00 C ATOM 549 CG ARG A 36 -4.300 6.095 -7.216 1.00 0.00 C ATOM 550 CD ARG A 36 -2.824 6.474 -7.341 1.00 0.00 C ATOM 551 NE ARG A 36 -1.998 5.486 -6.591 1.00 0.00 N ATOM 552 CZ ARG A 36 -1.856 5.599 -5.298 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.432 6.581 -4.659 1.00 0.00 N ATOM 554 NH2 ARG A 36 -1.138 4.727 -4.644 1.00 0.00 N ATOM 0 H ARG A 36 -5.991 7.321 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.200 7.431 -8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.950 6.619 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.828 7.987 -8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.642 6.255 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.434 5.036 -7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.528 6.491 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.659 7.477 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.543 4.721 -7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.994 7.262 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.320 6.667 -3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.689 3.959 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.026 4.814 -3.634 1.00 0.00 H new ATOM 568 N LEU A 37 -6.851 4.540 -6.994 1.00 0.00 N ATOM 569 CA LEU A 37 -7.250 3.109 -7.079 1.00 0.00 C ATOM 570 C LEU A 37 -6.776 2.513 -8.408 1.00 0.00 C ATOM 571 O LEU A 37 -7.337 1.557 -8.906 1.00 0.00 O ATOM 572 CB LEU A 37 -8.771 3.011 -6.976 1.00 0.00 C ATOM 573 CG LEU A 37 -9.270 3.968 -5.890 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.771 3.765 -5.680 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.530 3.687 -4.579 1.00 0.00 C ATOM 0 H LEU A 37 -6.436 4.820 -6.105 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.791 2.551 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.228 3.260 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.065 1.989 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.082 4.996 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.126 4.447 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.299 3.967 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.959 2.737 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.886 4.369 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.716 2.659 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.460 3.833 -4.727 1.00 0.00 H new ATOM 587 N ARG A 38 -5.745 3.071 -8.985 1.00 0.00 N ATOM 588 CA ARG A 38 -5.226 2.540 -10.282 1.00 0.00 C ATOM 589 C ARG A 38 -4.119 1.517 -10.001 1.00 0.00 C ATOM 590 O ARG A 38 -3.392 1.110 -10.884 1.00 0.00 O ATOM 591 CB ARG A 38 -4.659 3.705 -11.106 1.00 0.00 C ATOM 592 CG ARG A 38 -4.604 3.322 -12.592 1.00 0.00 C ATOM 593 CD ARG A 38 -3.617 4.237 -13.321 1.00 0.00 C ATOM 594 NE ARG A 38 -3.824 4.119 -14.791 1.00 0.00 N ATOM 595 CZ ARG A 38 -3.222 4.945 -15.603 1.00 0.00 C ATOM 596 NH1 ARG A 38 -2.438 5.873 -15.127 1.00 0.00 N ATOM 597 NH2 ARG A 38 -3.404 4.842 -16.892 1.00 0.00 N ATOM 0 H ARG A 38 -5.238 3.874 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.030 2.057 -10.838 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.280 4.591 -10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.661 3.960 -10.751 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.298 2.281 -12.699 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.595 3.410 -13.038 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.760 5.270 -13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.594 3.964 -13.064 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.436 3.393 -15.163 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.295 5.953 -14.120 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.968 6.518 -15.762 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.016 4.116 -17.264 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.934 5.487 -17.527 1.00 0.00 H new ATOM 611 N LEU A 39 -3.986 1.104 -8.772 1.00 0.00 N ATOM 612 CA LEU A 39 -2.927 0.115 -8.425 1.00 0.00 C ATOM 613 C LEU A 39 -3.261 -1.233 -9.064 1.00 0.00 C ATOM 614 O LEU A 39 -4.383 -1.488 -9.454 1.00 0.00 O ATOM 615 CB LEU A 39 -2.859 -0.049 -6.904 1.00 0.00 C ATOM 616 CG LEU A 39 -2.158 1.163 -6.282 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.996 2.428 -6.513 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.986 0.927 -4.778 1.00 0.00 C ATOM 0 H LEU A 39 -4.566 1.409 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.965 0.468 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.864 -0.149 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.320 -0.962 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.182 1.296 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.491 3.285 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.117 2.594 -7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.976 2.305 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.488 1.786 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.964 0.793 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.384 0.033 -4.617 1.00 0.00 H new ATOM 630 N ARG A 40 -2.293 -2.102 -9.169 1.00 0.00 N ATOM 631 CA ARG A 40 -2.553 -3.437 -9.773 1.00 0.00 C ATOM 632 C ARG A 40 -1.440 -4.404 -9.352 1.00 0.00 C ATOM 633 O ARG A 40 -0.490 -4.025 -8.697 1.00 0.00 O ATOM 634 CB ARG A 40 -2.604 -3.315 -11.307 1.00 0.00 C ATOM 635 CG ARG A 40 -1.630 -2.233 -11.783 1.00 0.00 C ATOM 636 CD ARG A 40 -0.213 -2.561 -11.304 1.00 0.00 C ATOM 637 NE ARG A 40 0.770 -1.768 -12.097 1.00 0.00 N ATOM 638 CZ ARG A 40 2.009 -2.169 -12.194 1.00 0.00 C ATOM 639 NH1 ARG A 40 2.390 -3.266 -11.598 1.00 0.00 N ATOM 640 NH2 ARG A 40 2.867 -1.471 -12.887 1.00 0.00 N ATOM 0 H ARG A 40 -1.333 -1.944 -8.862 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.512 -3.819 -9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.349 -4.271 -11.764 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.617 -3.069 -11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.649 -2.167 -12.871 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.937 -1.260 -11.399 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.113 -2.331 -10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.015 -3.627 -11.419 1.00 0.00 H new ATOM 0 HE ARG A 40 0.474 -0.911 -12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.720 -3.811 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.358 -3.578 -11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.569 -0.613 -13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.835 -1.783 -12.963 1.00 0.00 H new ATOM 654 N GLU A 41 -1.554 -5.651 -9.717 1.00 0.00 N ATOM 655 CA GLU A 41 -0.509 -6.641 -9.332 1.00 0.00 C ATOM 656 C GLU A 41 0.806 -6.309 -10.040 1.00 0.00 C ATOM 657 O GLU A 41 0.818 -5.815 -11.150 1.00 0.00 O ATOM 658 CB GLU A 41 -0.964 -8.046 -9.734 1.00 0.00 C ATOM 659 CG GLU A 41 -2.056 -8.525 -8.776 1.00 0.00 C ATOM 660 CD GLU A 41 -2.587 -9.881 -9.244 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.444 -9.891 -10.113 1.00 0.00 O ATOM 662 OE2 GLU A 41 -2.129 -10.886 -8.726 1.00 0.00 O ATOM 0 H GLU A 41 -2.327 -6.028 -10.266 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.357 -6.601 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.341 -8.038 -10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.119 -8.734 -9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.657 -8.608 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.867 -7.798 -8.740 1.00 0.00 H new ATOM 669 N GLY A 42 1.915 -6.583 -9.407 1.00 0.00 N ATOM 670 CA GLY A 42 3.235 -6.293 -10.040 1.00 0.00 C ATOM 671 C GLY A 42 3.615 -4.830 -9.805 1.00 0.00 C ATOM 672 O GLY A 42 4.567 -4.329 -10.371 1.00 0.00 O ATOM 0 H GLY A 42 1.964 -6.996 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.000 -6.948 -9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.188 -6.498 -11.109 1.00 0.00 H new ATOM 676 N ASP A 43 2.883 -4.139 -8.976 1.00 0.00 N ATOM 677 CA ASP A 43 3.211 -2.710 -8.710 1.00 0.00 C ATOM 678 C ASP A 43 4.531 -2.625 -7.940 1.00 0.00 C ATOM 679 O ASP A 43 4.702 -3.244 -6.907 1.00 0.00 O ATOM 680 CB ASP A 43 2.095 -2.070 -7.878 1.00 0.00 C ATOM 681 CG ASP A 43 2.226 -0.548 -7.935 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.347 -0.072 -7.992 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.203 0.116 -7.923 1.00 0.00 O ATOM 0 H ASP A 43 2.073 -4.501 -8.472 1.00 0.00 H new ATOM 0 HA ASP A 43 3.305 -2.180 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.121 -2.376 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.155 -2.412 -6.845 1.00 0.00 H new ATOM 688 N LYS A 44 5.468 -1.858 -8.438 1.00 0.00 N ATOM 689 CA LYS A 44 6.784 -1.722 -7.742 1.00 0.00 C ATOM 690 C LYS A 44 6.758 -0.479 -6.849 1.00 0.00 C ATOM 691 O LYS A 44 6.767 0.640 -7.326 1.00 0.00 O ATOM 692 CB LYS A 44 7.896 -1.575 -8.785 1.00 0.00 C ATOM 693 CG LYS A 44 7.708 -2.622 -9.885 1.00 0.00 C ATOM 694 CD LYS A 44 8.993 -2.736 -10.710 1.00 0.00 C ATOM 695 CE LYS A 44 9.268 -1.410 -11.422 1.00 0.00 C ATOM 696 NZ LYS A 44 10.267 -1.626 -12.506 1.00 0.00 N ATOM 0 H LYS A 44 5.378 -1.319 -9.299 1.00 0.00 H new ATOM 0 HA LYS A 44 6.969 -2.606 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.876 -0.573 -9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.870 -1.700 -8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.460 -3.587 -9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.874 -2.342 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.831 -2.993 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.897 -3.539 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.344 -1.010 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.641 -0.673 -10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.454 -0.725 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.151 -1.989 -12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.894 -2.315 -13.190 1.00 0.00 H new ATOM 710 N LEU A 45 6.720 -0.667 -5.555 1.00 0.00 N ATOM 711 CA LEU A 45 6.688 0.500 -4.621 1.00 0.00 C ATOM 712 C LEU A 45 8.108 0.811 -4.138 1.00 0.00 C ATOM 713 O LEU A 45 8.703 0.049 -3.402 1.00 0.00 O ATOM 714 CB LEU A 45 5.803 0.159 -3.416 1.00 0.00 C ATOM 715 CG LEU A 45 4.565 -0.603 -3.890 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.622 -0.832 -2.707 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.846 0.215 -4.966 1.00 0.00 C ATOM 0 H LEU A 45 6.710 -1.581 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 45 6.284 1.370 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.362 -0.444 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.505 1.072 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 45 4.866 -1.565 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.740 -1.375 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.134 -1.413 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.319 0.129 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.963 -0.327 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.545 1.177 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.518 0.378 -5.809 1.00 0.00 H new ATOM 729 N THR A 46 8.656 1.928 -4.541 1.00 0.00 N ATOM 730 CA THR A 46 10.038 2.289 -4.099 1.00 0.00 C ATOM 731 C THR A 46 9.951 3.104 -2.798 1.00 0.00 C ATOM 732 O THR A 46 8.984 3.806 -2.574 1.00 0.00 O ATOM 733 CB THR A 46 10.712 3.133 -5.183 1.00 0.00 C ATOM 734 OG1 THR A 46 11.724 3.940 -4.594 1.00 0.00 O ATOM 735 CG2 THR A 46 9.671 4.030 -5.855 1.00 0.00 C ATOM 0 H THR A 46 8.207 2.606 -5.157 1.00 0.00 H new ATOM 0 HA THR A 46 10.620 1.384 -3.929 1.00 0.00 H new ATOM 0 HB THR A 46 11.159 2.476 -5.929 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.157 4.480 -5.288 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.152 4.631 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.896 3.412 -6.307 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.222 4.688 -5.110 1.00 0.00 H new ATOM 743 N PRO A 47 10.948 3.024 -1.944 1.00 0.00 N ATOM 744 CA PRO A 47 10.956 3.781 -0.655 1.00 0.00 C ATOM 745 C PRO A 47 11.238 5.275 -0.865 1.00 0.00 C ATOM 746 O PRO A 47 12.166 5.648 -1.554 1.00 0.00 O ATOM 747 CB PRO A 47 12.092 3.118 0.136 1.00 0.00 C ATOM 748 CG PRO A 47 13.040 2.632 -0.910 1.00 0.00 C ATOM 749 CD PRO A 47 12.172 2.215 -2.102 1.00 0.00 C ATOM 0 HA PRO A 47 9.992 3.744 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.573 3.827 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.722 2.296 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.743 3.415 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.629 1.792 -0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.668 2.421 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.952 1.148 -2.083 1.00 0.00 H new ATOM 757 N LEU A 48 10.445 6.130 -0.275 1.00 0.00 N ATOM 758 CA LEU A 48 10.670 7.598 -0.440 1.00 0.00 C ATOM 759 C LEU A 48 11.646 8.082 0.637 1.00 0.00 C ATOM 760 O LEU A 48 12.708 8.593 0.341 1.00 0.00 O ATOM 761 CB LEU A 48 9.327 8.337 -0.305 1.00 0.00 C ATOM 762 CG LEU A 48 9.384 9.677 -1.051 1.00 0.00 C ATOM 763 CD1 LEU A 48 8.061 10.425 -0.861 1.00 0.00 C ATOM 764 CD2 LEU A 48 10.537 10.527 -0.502 1.00 0.00 C ATOM 0 H LEU A 48 9.652 5.877 0.314 1.00 0.00 H new ATOM 0 HA LEU A 48 11.092 7.801 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.523 7.722 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.101 8.507 0.748 1.00 0.00 H new ATOM 0 HG LEU A 48 9.548 9.491 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.102 11.377 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.243 9.824 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.896 10.608 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.574 11.477 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.379 10.712 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.479 9.996 -0.641 1.00 0.00 H new ATOM 776 N ALA A 49 11.295 7.929 1.886 1.00 0.00 N ATOM 777 CA ALA A 49 12.206 8.384 2.973 1.00 0.00 C ATOM 778 C ALA A 49 11.655 7.944 4.332 1.00 0.00 C ATOM 779 O ALA A 49 11.894 6.841 4.782 1.00 0.00 O ATOM 780 CB ALA A 49 12.316 9.910 2.940 1.00 0.00 C ATOM 0 H ALA A 49 10.419 7.510 2.199 1.00 0.00 H new ATOM 0 HA ALA A 49 13.191 7.941 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.982 10.244 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.715 10.225 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.329 10.349 3.085 1.00 0.00 H new ATOM 786 N ASP A 50 10.925 8.803 4.992 1.00 0.00 N ATOM 787 CA ASP A 50 10.366 8.440 6.326 1.00 0.00 C ATOM 788 C ASP A 50 9.467 7.208 6.198 1.00 0.00 C ATOM 789 O ASP A 50 9.554 6.283 6.980 1.00 0.00 O ATOM 790 CB ASP A 50 9.547 9.614 6.869 1.00 0.00 C ATOM 791 CG ASP A 50 10.482 10.776 7.208 1.00 0.00 C ATOM 792 OD1 ASP A 50 11.465 10.540 7.891 1.00 0.00 O ATOM 793 OD2 ASP A 50 10.200 11.882 6.777 1.00 0.00 O ATOM 0 H ASP A 50 10.692 9.740 4.665 1.00 0.00 H new ATOM 0 HA ASP A 50 11.185 8.215 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.811 9.930 6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.995 9.306 7.757 1.00 0.00 H new ATOM 798 N ALA A 51 8.601 7.188 5.223 1.00 0.00 N ATOM 799 CA ALA A 51 7.698 6.013 5.056 1.00 0.00 C ATOM 800 C ALA A 51 6.909 6.144 3.751 1.00 0.00 C ATOM 801 O ALA A 51 6.517 5.161 3.156 1.00 0.00 O ATOM 802 CB ALA A 51 6.723 5.946 6.234 1.00 0.00 C ATOM 0 H ALA A 51 8.479 7.932 4.536 1.00 0.00 H new ATOM 0 HA ALA A 51 8.298 5.103 5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.063 5.087 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.282 5.844 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.128 6.859 6.266 1.00 0.00 H new ATOM 808 N ARG A 52 6.668 7.345 3.302 1.00 0.00 N ATOM 809 CA ARG A 52 5.900 7.526 2.037 1.00 0.00 C ATOM 810 C ARG A 52 6.466 6.596 0.960 1.00 0.00 C ATOM 811 O ARG A 52 7.629 6.247 0.981 1.00 0.00 O ATOM 812 CB ARG A 52 6.018 8.978 1.571 1.00 0.00 C ATOM 813 CG ARG A 52 5.232 9.886 2.520 1.00 0.00 C ATOM 814 CD ARG A 52 5.231 11.317 1.978 1.00 0.00 C ATOM 815 NE ARG A 52 4.803 12.256 3.053 1.00 0.00 N ATOM 816 CZ ARG A 52 4.778 13.540 2.826 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.127 14.003 1.656 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.403 14.363 3.768 1.00 0.00 N ATOM 0 H ARG A 52 6.969 8.208 3.755 1.00 0.00 H new ATOM 0 HA ARG A 52 4.851 7.285 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.065 9.279 1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.635 9.077 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.209 9.524 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.678 9.863 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.227 11.583 1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.557 11.393 1.124 1.00 0.00 H new ATOM 0 HE ARG A 52 4.529 11.894 3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.419 13.360 0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.107 15.007 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.130 14.002 4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.384 15.367 3.590 1.00 0.00 H new ATOM 832 N TYR A 53 5.647 6.191 0.022 1.00 0.00 N ATOM 833 CA TYR A 53 6.119 5.277 -1.066 1.00 0.00 C ATOM 834 C TYR A 53 5.652 5.820 -2.417 1.00 0.00 C ATOM 835 O TYR A 53 4.629 6.467 -2.517 1.00 0.00 O ATOM 836 CB TYR A 53 5.525 3.879 -0.848 1.00 0.00 C ATOM 837 CG TYR A 53 6.279 3.168 0.251 1.00 0.00 C ATOM 838 CD1 TYR A 53 7.451 2.462 -0.048 1.00 0.00 C ATOM 839 CD2 TYR A 53 5.803 3.209 1.566 1.00 0.00 C ATOM 840 CE1 TYR A 53 8.149 1.801 0.969 1.00 0.00 C ATOM 841 CE2 TYR A 53 6.501 2.548 2.584 1.00 0.00 C ATOM 842 CZ TYR A 53 7.674 1.844 2.286 1.00 0.00 C ATOM 843 OH TYR A 53 8.361 1.192 3.289 1.00 0.00 O ATOM 0 H TYR A 53 4.664 6.456 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 53 7.207 5.218 -1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.470 3.959 -0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.580 3.302 -1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.816 2.428 -1.064 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.897 3.750 1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.054 1.258 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.134 2.581 3.599 1.00 0.00 H new ATOM 0 HH TYR A 53 7.897 1.323 4.142 1.00 0.00 H new ATOM 853 N CYS A 54 6.400 5.553 -3.459 1.00 0.00 N ATOM 854 CA CYS A 54 6.023 6.036 -4.825 1.00 0.00 C ATOM 855 C CYS A 54 5.906 4.828 -5.758 1.00 0.00 C ATOM 856 O CYS A 54 6.831 4.053 -5.901 1.00 0.00 O ATOM 857 CB CYS A 54 7.112 6.990 -5.342 1.00 0.00 C ATOM 858 SG CYS A 54 7.759 7.967 -3.963 1.00 0.00 S ATOM 0 H CYS A 54 7.266 5.015 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 54 5.071 6.565 -4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.917 6.422 -5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.701 7.648 -6.107 1.00 0.00 H new ATOM 0 HG CYS A 54 8.682 8.773 -4.398 1.00 0.00 H new ATOM 864 N LEU A 55 4.775 4.652 -6.391 1.00 0.00 N ATOM 865 CA LEU A 55 4.608 3.483 -7.306 1.00 0.00 C ATOM 866 C LEU A 55 5.056 3.863 -8.718 1.00 0.00 C ATOM 867 O LEU A 55 4.927 4.995 -9.137 1.00 0.00 O ATOM 868 CB LEU A 55 3.132 3.059 -7.328 1.00 0.00 C ATOM 869 CG LEU A 55 2.224 4.257 -7.726 1.00 0.00 C ATOM 870 CD1 LEU A 55 1.871 4.198 -9.220 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.921 4.217 -6.915 1.00 0.00 C ATOM 0 H LEU A 55 3.963 5.264 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 55 5.219 2.654 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.994 2.241 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.841 2.685 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 55 2.769 5.178 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.235 5.045 -9.477 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.786 4.238 -9.812 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.341 3.269 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.290 5.059 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.395 3.284 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.152 4.279 -5.852 1.00 0.00 H new ATOM 883 N ASN A 56 5.589 2.918 -9.450 1.00 0.00 N ATOM 884 CA ASN A 56 6.054 3.205 -10.838 1.00 0.00 C ATOM 885 C ASN A 56 7.116 4.307 -10.815 1.00 0.00 C ATOM 886 O ASN A 56 7.290 5.030 -11.774 1.00 0.00 O ATOM 887 CB ASN A 56 4.870 3.644 -11.704 1.00 0.00 C ATOM 888 CG ASN A 56 3.718 2.653 -11.533 1.00 0.00 C ATOM 889 OD1 ASN A 56 3.668 1.921 -10.564 1.00 0.00 O ATOM 890 ND2 ASN A 56 2.780 2.597 -12.440 1.00 0.00 N ATOM 0 H ASN A 56 5.722 1.955 -9.143 1.00 0.00 H new ATOM 0 HA ASN A 56 6.489 2.299 -11.261 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.548 4.645 -11.418 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.170 3.693 -12.751 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.007 1.940 -12.334 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.820 3.211 -13.254 1.00 0.00 H new ATOM 897 N ASN A 57 7.827 4.433 -9.724 1.00 0.00 N ATOM 898 CA ASN A 57 8.893 5.475 -9.623 1.00 0.00 C ATOM 899 C ASN A 57 8.373 6.823 -10.133 1.00 0.00 C ATOM 900 O ASN A 57 9.066 7.541 -10.824 1.00 0.00 O ATOM 901 CB ASN A 57 10.131 5.042 -10.425 1.00 0.00 C ATOM 902 CG ASN A 57 9.869 5.164 -11.928 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.378 4.242 -12.548 1.00 0.00 O ATOM 904 ND2 ASN A 57 10.183 6.270 -12.547 1.00 0.00 N ATOM 0 H ASN A 57 7.714 3.854 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 57 9.174 5.588 -8.576 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.985 5.660 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.389 4.012 -10.178 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.016 6.359 -13.549 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.595 7.045 -12.028 1.00 0.00 H new ATOM 911 N ASN A 58 7.157 7.173 -9.788 1.00 0.00 N ATOM 912 CA ASN A 58 6.572 8.477 -10.237 1.00 0.00 C ATOM 913 C ASN A 58 6.043 9.234 -9.008 1.00 0.00 C ATOM 914 O ASN A 58 4.909 9.048 -8.610 1.00 0.00 O ATOM 915 CB ASN A 58 5.416 8.200 -11.200 1.00 0.00 C ATOM 916 CG ASN A 58 5.881 7.235 -12.291 1.00 0.00 C ATOM 917 OD1 ASN A 58 5.105 6.446 -12.794 1.00 0.00 O ATOM 918 ND2 ASN A 58 7.125 7.266 -12.684 1.00 0.00 N ATOM 0 H ASN A 58 6.539 6.605 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 58 7.331 9.076 -10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.572 7.774 -10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.070 9.132 -11.647 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.446 6.628 -13.413 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.777 7.928 -12.262 1.00 0.00 H new ATOM 925 N PRO A 59 6.854 10.071 -8.394 1.00 0.00 N ATOM 926 CA PRO A 59 6.446 10.847 -7.181 1.00 0.00 C ATOM 927 C PRO A 59 5.056 11.483 -7.316 1.00 0.00 C ATOM 928 O PRO A 59 4.521 12.027 -6.369 1.00 0.00 O ATOM 929 CB PRO A 59 7.533 11.919 -7.064 1.00 0.00 C ATOM 930 CG PRO A 59 8.749 11.279 -7.645 1.00 0.00 C ATOM 931 CD PRO A 59 8.247 10.378 -8.779 1.00 0.00 C ATOM 0 HA PRO A 59 6.364 10.209 -6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.260 12.823 -7.609 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.694 12.210 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.444 12.030 -8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.283 10.699 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.293 10.885 -9.743 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.847 9.472 -8.866 1.00 0.00 H new ATOM 939 N THR A 60 4.464 11.416 -8.474 1.00 0.00 N ATOM 940 CA THR A 60 3.109 12.011 -8.652 1.00 0.00 C ATOM 941 C THR A 60 2.064 11.065 -8.054 1.00 0.00 C ATOM 942 O THR A 60 1.148 11.483 -7.374 1.00 0.00 O ATOM 943 CB THR A 60 2.828 12.209 -10.147 1.00 0.00 C ATOM 944 OG1 THR A 60 1.427 12.141 -10.375 1.00 0.00 O ATOM 945 CG2 THR A 60 3.530 11.112 -10.952 1.00 0.00 C ATOM 0 H THR A 60 4.858 10.976 -9.305 1.00 0.00 H new ATOM 0 HA THR A 60 3.062 12.976 -8.147 1.00 0.00 H new ATOM 0 HB THR A 60 3.203 13.183 -10.461 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.244 12.268 -11.329 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.329 11.255 -12.014 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.605 11.163 -10.776 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.157 10.137 -10.640 1.00 0.00 H new ATOM 953 N GLN A 61 2.201 9.788 -8.299 1.00 0.00 N ATOM 954 CA GLN A 61 1.228 8.797 -7.748 1.00 0.00 C ATOM 955 C GLN A 61 1.765 8.238 -6.430 1.00 0.00 C ATOM 956 O GLN A 61 2.039 7.061 -6.314 1.00 0.00 O ATOM 957 CB GLN A 61 1.044 7.645 -8.739 1.00 0.00 C ATOM 958 CG GLN A 61 0.689 8.201 -10.118 1.00 0.00 C ATOM 959 CD GLN A 61 -0.596 9.024 -10.024 1.00 0.00 C ATOM 960 OE1 GLN A 61 -1.670 8.530 -10.303 1.00 0.00 O ATOM 961 NE2 GLN A 61 -0.531 10.271 -9.641 1.00 0.00 N ATOM 0 H GLN A 61 2.951 9.386 -8.861 1.00 0.00 H new ATOM 0 HA GLN A 61 0.271 9.291 -7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.959 7.055 -8.799 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.256 6.977 -8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.504 8.821 -10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.559 7.384 -10.828 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.371 10.686 -9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.382 10.830 -9.576 1.00 0.00 H new ATOM 970 N THR A 62 1.931 9.070 -5.434 1.00 0.00 N ATOM 971 CA THR A 62 2.467 8.577 -4.127 1.00 0.00 C ATOM 972 C THR A 62 1.307 8.294 -3.178 1.00 0.00 C ATOM 973 O THR A 62 0.166 8.599 -3.464 1.00 0.00 O ATOM 974 CB THR A 62 3.371 9.649 -3.514 1.00 0.00 C ATOM 975 OG1 THR A 62 2.667 10.882 -3.453 1.00 0.00 O ATOM 976 CG2 THR A 62 4.622 9.815 -4.373 1.00 0.00 C ATOM 0 H THR A 62 1.720 10.067 -5.468 1.00 0.00 H new ATOM 0 HA THR A 62 3.039 7.663 -4.288 1.00 0.00 H new ATOM 0 HB THR A 62 3.662 9.347 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.244 11.569 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.265 10.579 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.161 8.869 -4.417 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.334 10.116 -5.380 1.00 0.00 H new ATOM 984 N LEU A 63 1.586 7.698 -2.050 1.00 0.00 N ATOM 985 CA LEU A 63 0.499 7.377 -1.085 1.00 0.00 C ATOM 986 C LEU A 63 1.072 7.289 0.332 1.00 0.00 C ATOM 987 O LEU A 63 2.262 7.133 0.520 1.00 0.00 O ATOM 988 CB LEU A 63 -0.153 6.044 -1.486 1.00 0.00 C ATOM 989 CG LEU A 63 0.780 4.859 -1.195 1.00 0.00 C ATOM 990 CD1 LEU A 63 0.128 3.577 -1.718 1.00 0.00 C ATOM 991 CD2 LEU A 63 2.129 5.066 -1.899 1.00 0.00 C ATOM 0 H LEU A 63 2.522 7.420 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.256 8.163 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.089 5.916 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.401 6.062 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 63 0.948 4.785 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.782 2.728 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.828 3.425 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.034 3.663 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.784 4.221 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.970 5.141 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.592 5.984 -1.536 1.00 0.00 H new ATOM 1003 N LYS A 64 0.228 7.397 1.331 1.00 0.00 N ATOM 1004 CA LYS A 64 0.704 7.331 2.751 1.00 0.00 C ATOM 1005 C LYS A 64 0.181 6.056 3.415 1.00 0.00 C ATOM 1006 O LYS A 64 -0.955 5.668 3.229 1.00 0.00 O ATOM 1007 CB LYS A 64 0.177 8.548 3.516 1.00 0.00 C ATOM 1008 CG LYS A 64 0.810 9.821 2.950 1.00 0.00 C ATOM 1009 CD LYS A 64 0.501 10.999 3.876 1.00 0.00 C ATOM 1010 CE LYS A 64 0.858 12.310 3.174 1.00 0.00 C ATOM 1011 NZ LYS A 64 2.324 12.347 2.907 1.00 0.00 N ATOM 0 H LYS A 64 -0.778 7.529 1.223 1.00 0.00 H new ATOM 0 HA LYS A 64 1.794 7.325 2.766 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.909 8.601 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.411 8.453 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.888 9.693 2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.423 10.019 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.555 10.995 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.067 10.905 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.305 12.397 2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.569 13.158 3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.581 13.272 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.843 12.198 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.573 11.597 2.231 1.00 0.00 H new ATOM 1025 N ILE A 65 1.002 5.405 4.197 1.00 0.00 N ATOM 1026 CA ILE A 65 0.554 4.158 4.883 1.00 0.00 C ATOM 1027 C ILE A 65 -0.110 4.521 6.209 1.00 0.00 C ATOM 1028 O ILE A 65 0.313 5.426 6.900 1.00 0.00 O ATOM 1029 CB ILE A 65 1.759 3.254 5.162 1.00 0.00 C ATOM 1030 CG1 ILE A 65 2.849 4.051 5.884 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.315 2.717 3.846 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.016 3.123 6.233 1.00 0.00 C ATOM 0 H ILE A 65 1.964 5.684 4.390 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.154 3.633 4.241 1.00 0.00 H new ATOM 0 HB ILE A 65 1.441 2.422 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.197 4.867 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.445 4.501 6.791 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.172 2.074 4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.544 2.143 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.627 3.550 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.791 3.691 6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.662 2.322 6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.426 2.694 5.319 1.00 0.00 H new ATOM 1044 N ARG A 66 -1.144 3.812 6.579 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.833 4.098 7.872 1.00 0.00 C ATOM 1046 C ARG A 66 -1.333 3.106 8.921 1.00 0.00 C ATOM 1047 O ARG A 66 -1.263 3.412 10.095 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.345 3.939 7.694 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.841 4.887 6.597 1.00 0.00 C ATOM 1050 CD ARG A 66 -3.634 6.348 7.022 1.00 0.00 C ATOM 1051 NE ARG A 66 -4.601 7.216 6.292 1.00 0.00 N ATOM 1052 CZ ARG A 66 -4.845 8.424 6.719 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -4.243 8.873 7.786 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -5.691 9.184 6.078 1.00 0.00 N ATOM 0 H ARG A 66 -1.543 3.044 6.039 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.618 5.118 8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.583 2.908 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.856 4.155 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.305 4.692 5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.897 4.705 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.777 6.449 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.612 6.660 6.806 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.072 6.865 5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.581 8.279 8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.434 9.818 8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.161 8.833 5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.882 10.129 6.412 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.975 1.918 8.505 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.471 0.906 9.477 1.00 0.00 C ATOM 1070 C ASN A 67 0.021 -0.341 8.730 1.00 0.00 C ATOM 1071 O ASN A 67 -0.765 -1.137 8.252 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.603 0.508 10.429 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.123 -0.615 11.352 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.263 -1.779 11.035 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -0.560 -0.313 12.490 1.00 0.00 N ATOM 0 H ASN A 67 -1.011 1.607 7.534 1.00 0.00 H new ATOM 0 HA ASN A 67 0.356 1.336 10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.916 1.369 11.019 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.472 0.179 9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.238 -1.054 13.112 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.442 0.664 12.757 1.00 0.00 H new ATOM 1082 N ALA A 68 1.315 -0.521 8.637 1.00 0.00 N ATOM 1083 CA ALA A 68 1.860 -1.725 7.939 1.00 0.00 C ATOM 1084 C ALA A 68 1.923 -2.894 8.927 1.00 0.00 C ATOM 1085 O ALA A 68 2.041 -2.701 10.120 1.00 0.00 O ATOM 1086 CB ALA A 68 3.266 -1.431 7.420 1.00 0.00 C ATOM 0 H ALA A 68 2.018 0.115 9.015 1.00 0.00 H new ATOM 0 HA ALA A 68 1.212 -1.980 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.658 -2.312 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.228 -0.596 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.916 -1.175 8.256 1.00 0.00 H new ATOM 1092 N THR A 69 1.847 -4.108 8.440 1.00 0.00 N ATOM 1093 CA THR A 69 1.906 -5.294 9.353 1.00 0.00 C ATOM 1094 C THR A 69 2.696 -6.417 8.677 1.00 0.00 C ATOM 1095 O THR A 69 2.758 -6.505 7.467 1.00 0.00 O ATOM 1096 CB THR A 69 0.484 -5.779 9.651 1.00 0.00 C ATOM 1097 OG1 THR A 69 0.059 -6.653 8.616 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.461 -4.579 9.729 1.00 0.00 C ATOM 0 H THR A 69 1.747 -4.330 7.450 1.00 0.00 H new ATOM 0 HA THR A 69 2.397 -5.013 10.285 1.00 0.00 H new ATOM 0 HB THR A 69 0.472 -6.309 10.603 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.778 -7.089 8.879 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.472 -4.926 9.941 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.133 -3.909 10.523 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.452 -4.046 8.778 1.00 0.00 H new ATOM 1106 N HIS A 70 3.303 -7.277 9.452 1.00 0.00 N ATOM 1107 CA HIS A 70 4.094 -8.393 8.856 1.00 0.00 C ATOM 1108 C HIS A 70 3.159 -9.534 8.449 1.00 0.00 C ATOM 1109 O HIS A 70 3.413 -10.687 8.738 1.00 0.00 O ATOM 1110 CB HIS A 70 5.104 -8.907 9.885 1.00 0.00 C ATOM 1111 CG HIS A 70 5.957 -7.765 10.364 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.949 -6.523 9.744 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.851 -7.661 11.402 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.813 -5.732 10.408 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.387 -6.378 11.425 1.00 0.00 N ATOM 0 H HIS A 70 3.285 -7.255 10.472 1.00 0.00 H new ATOM 0 HA HIS A 70 4.621 -8.028 7.974 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.582 -9.363 10.726 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.730 -9.681 9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.099 -8.453 12.093 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.016 -4.703 10.150 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.075 -6.008 12.081 1.00 0.00 H new ATOM 1124 N TYR A 71 2.083 -9.227 7.778 1.00 0.00 N ATOM 1125 CA TYR A 71 1.141 -10.301 7.351 1.00 0.00 C ATOM 1126 C TYR A 71 0.815 -11.199 8.548 1.00 0.00 C ATOM 1127 O TYR A 71 1.073 -12.385 8.535 1.00 0.00 O ATOM 1128 CB TYR A 71 1.790 -11.133 6.241 1.00 0.00 C ATOM 1129 CG TYR A 71 0.912 -12.319 5.907 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.315 -12.120 5.264 1.00 0.00 C ATOM 1131 CD2 TYR A 71 1.325 -13.617 6.239 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.129 -13.216 4.953 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.511 -14.712 5.928 1.00 0.00 C ATOM 1134 CZ TYR A 71 -0.716 -14.511 5.284 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.519 -15.590 4.976 1.00 0.00 O ATOM 0 H TYR A 71 1.815 -8.281 7.507 1.00 0.00 H new ATOM 0 HA TYR A 71 0.220 -9.854 6.976 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.939 -10.518 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.774 -11.476 6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.634 -11.121 5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.272 -13.772 6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.076 -13.062 4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.829 -15.712 6.185 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.084 -16.417 5.273 1.00 0.00 H new ATOM 1145 N SER A 72 0.246 -10.642 9.582 1.00 0.00 N ATOM 1146 CA SER A 72 -0.100 -11.464 10.777 1.00 0.00 C ATOM 1147 C SER A 72 -1.446 -12.152 10.548 1.00 0.00 C ATOM 1148 O SER A 72 -2.148 -11.862 9.599 1.00 0.00 O ATOM 1149 CB SER A 72 -0.193 -10.561 12.007 1.00 0.00 C ATOM 1150 OG SER A 72 -1.026 -11.177 12.980 1.00 0.00 O ATOM 0 H SER A 72 0.006 -9.653 9.651 1.00 0.00 H new ATOM 0 HA SER A 72 0.672 -12.217 10.937 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.800 -10.386 12.420 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.598 -9.588 11.728 1.00 0.00 H new ATOM 0 HG SER A 72 -1.086 -10.601 13.771 1.00 0.00 H new ATOM 1156 N SER A 73 -1.813 -13.063 11.409 1.00 0.00 N ATOM 1157 CA SER A 73 -3.115 -13.770 11.240 1.00 0.00 C ATOM 1158 C SER A 73 -4.240 -12.924 11.839 1.00 0.00 C ATOM 1159 O SER A 73 -5.377 -13.000 11.419 1.00 0.00 O ATOM 1160 CB SER A 73 -3.057 -15.120 11.954 1.00 0.00 C ATOM 1161 OG SER A 73 -2.143 -15.971 11.276 1.00 0.00 O ATOM 0 H SER A 73 -1.267 -13.348 12.222 1.00 0.00 H new ATOM 0 HA SER A 73 -3.307 -13.927 10.179 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.745 -14.984 12.989 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.047 -15.575 11.977 1.00 0.00 H new ATOM 0 HG SER A 73 -2.102 -16.837 11.733 1.00 0.00 H new ATOM 1167 N GLU A 74 -3.934 -12.119 12.819 1.00 0.00 N ATOM 1168 CA GLU A 74 -4.989 -11.272 13.445 1.00 0.00 C ATOM 1169 C GLU A 74 -5.276 -10.066 12.549 1.00 0.00 C ATOM 1170 O GLU A 74 -6.397 -9.603 12.456 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.507 -10.787 14.814 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.159 -11.993 15.690 1.00 0.00 C ATOM 1173 CD GLU A 74 -5.437 -12.757 16.039 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -6.112 -12.349 16.970 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -5.720 -13.736 15.368 1.00 0.00 O ATOM 0 H GLU A 74 -3.000 -12.011 13.213 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.900 -11.858 13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.634 -10.145 14.697 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.282 -10.188 15.293 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.463 -12.648 15.166 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.660 -11.662 16.601 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.275 -9.550 11.891 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.494 -8.372 11.004 1.00 0.00 C ATOM 1184 C ARG A 75 -5.158 -8.826 9.703 1.00 0.00 C ATOM 1185 O ARG A 75 -6.096 -8.217 9.229 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.146 -7.716 10.689 1.00 0.00 C ATOM 1187 CG ARG A 75 -2.408 -7.399 11.995 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.161 -6.318 12.781 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.228 -5.668 13.745 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.590 -4.582 14.372 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.768 -4.065 14.154 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.773 -4.014 15.216 1.00 0.00 N ATOM 0 H ARG A 75 -3.315 -9.893 11.929 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.141 -7.653 11.507 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.543 -8.381 10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.301 -6.802 10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.319 -8.302 12.599 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.395 -7.060 11.776 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.571 -5.575 12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.003 -6.760 13.314 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.307 -6.072 13.915 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.406 -4.510 13.494 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.051 -3.216 14.644 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.852 -4.419 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.055 -3.165 15.706 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.681 -9.891 9.120 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.289 -10.379 7.850 1.00 0.00 C ATOM 1208 C TRP A 76 -6.746 -10.779 8.098 1.00 0.00 C ATOM 1209 O TRP A 76 -7.599 -10.613 7.250 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.509 -11.593 7.343 1.00 0.00 C ATOM 1211 CG TRP A 76 -5.151 -12.114 6.098 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.312 -11.410 4.954 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.719 -13.433 5.850 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.943 -12.211 4.020 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -6.214 -13.468 4.524 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.851 -14.590 6.638 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.819 -14.611 4.001 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -6.458 -15.743 6.113 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.942 -15.752 4.798 1.00 0.00 C ATOM 0 H TRP A 76 -3.897 -10.444 9.467 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.252 -9.585 7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.474 -11.316 7.142 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.488 -12.370 8.107 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -4.999 -10.389 4.796 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.179 -11.910 3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.483 -14.592 7.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -7.190 -14.614 2.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -6.552 -16.627 6.726 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.410 -16.641 4.401 1.00 0.00 H new