USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 33 GLN : amide:sc= -2.52! C(o=-8.2!,f=-9.3!) USER MOD Set 1.2: A 49 ASN : amide:sc= -1.68 K(o=-8.2,f=-13!) USER MOD Set 1.3: A 51 ASN : amide:sc= -1.74! K(o=-8.2!,f=-6.8) USER MOD Set 1.4: A 52 SER OG : rot -132:sc= -2.22! USER MOD Single : A 1 MET CE :methyl 172:sc= -1.55 (180deg=-1.74) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.00299 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.77) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.186) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 20 SER OG : rot 180:sc=5.71e-05 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc=-0.00786 (180deg=-0.195) USER MOD Single : A 30 GLN : amide:sc= -0.614 K(o=-0.61,f=-0.098) USER MOD Single : A 34 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.85) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -117:sc= -1.08 (180deg=-3.07!) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 71 SER OG : rot -37:sc= 0.408 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.929 -4.180 11.543 1.00 0.00 N ATOM 2 CA MET A 1 9.053 -3.381 10.291 1.00 0.00 C ATOM 3 C MET A 1 7.954 -3.802 9.311 1.00 0.00 C ATOM 4 O MET A 1 7.696 -4.974 9.119 1.00 0.00 O ATOM 5 CB MET A 1 10.432 -3.632 9.663 1.00 0.00 C ATOM 6 CG MET A 1 10.752 -2.538 8.637 1.00 0.00 C ATOM 7 SD MET A 1 9.696 -2.743 7.181 1.00 0.00 S ATOM 8 CE MET A 1 9.586 -0.995 6.728 1.00 0.00 C ATOM 0 H1 MET A 1 9.876 -4.372 11.927 1.00 0.00 H new ATOM 0 H2 MET A 1 8.374 -3.646 12.242 1.00 0.00 H new ATOM 0 H3 MET A 1 8.451 -5.080 11.335 1.00 0.00 H new ATOM 0 HA MET A 1 8.947 -2.320 10.518 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.196 -3.647 10.440 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.448 -4.609 9.181 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.593 -1.554 9.078 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.802 -2.592 8.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.090 -0.900 5.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.014 -0.458 7.485 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.589 -0.572 6.664 1.00 0.00 H new ATOM 20 N GLU A 2 7.303 -2.854 8.691 1.00 0.00 N ATOM 21 CA GLU A 2 6.218 -3.194 7.724 1.00 0.00 C ATOM 22 C GLU A 2 6.125 -2.097 6.661 1.00 0.00 C ATOM 23 O GLU A 2 6.864 -1.132 6.685 1.00 0.00 O ATOM 24 CB GLU A 2 4.884 -3.299 8.469 1.00 0.00 C ATOM 25 CG GLU A 2 4.633 -2.011 9.257 1.00 0.00 C ATOM 26 CD GLU A 2 3.405 -2.193 10.150 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.043 -3.330 10.403 1.00 0.00 O ATOM 28 OE2 GLU A 2 2.844 -1.191 10.564 1.00 0.00 O ATOM 0 H GLU A 2 7.476 -1.856 8.813 1.00 0.00 H new ATOM 0 HA GLU A 2 6.441 -4.148 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.073 -3.468 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.900 -4.154 9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.505 -1.767 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.478 -1.177 8.572 1.00 0.00 H new ATOM 35 N LEU A 3 5.224 -2.236 5.725 1.00 0.00 N ATOM 36 CA LEU A 3 5.086 -1.201 4.659 1.00 0.00 C ATOM 37 C LEU A 3 3.666 -1.242 4.091 1.00 0.00 C ATOM 38 O LEU A 3 3.379 -1.978 3.166 1.00 0.00 O ATOM 39 CB LEU A 3 6.097 -1.485 3.540 1.00 0.00 C ATOM 40 CG LEU A 3 6.091 -0.344 2.505 1.00 0.00 C ATOM 41 CD1 LEU A 3 6.805 0.898 3.063 1.00 0.00 C ATOM 42 CD2 LEU A 3 6.808 -0.816 1.235 1.00 0.00 C ATOM 0 H LEU A 3 4.578 -3.022 5.653 1.00 0.00 H new ATOM 0 HA LEU A 3 5.279 -0.214 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.095 -1.595 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.852 -2.428 3.052 1.00 0.00 H new ATOM 0 HG LEU A 3 5.059 -0.078 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.790 1.692 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.294 1.237 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.838 0.646 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.808 -0.013 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.836 -1.086 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.291 -1.684 0.827 1.00 0.00 H new ATOM 54 N TRP A 4 2.776 -0.455 4.631 1.00 0.00 N ATOM 55 CA TRP A 4 1.376 -0.444 4.118 1.00 0.00 C ATOM 56 C TRP A 4 1.289 0.512 2.928 1.00 0.00 C ATOM 57 O TRP A 4 2.182 1.302 2.695 1.00 0.00 O ATOM 58 CB TRP A 4 0.433 0.004 5.234 1.00 0.00 C ATOM 59 CG TRP A 4 0.502 -0.998 6.341 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.547 -1.144 7.189 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.481 -2.001 6.726 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.271 -2.173 8.071 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.034 -2.734 7.830 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.761 -2.347 6.233 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.695 -3.776 8.422 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.496 -3.394 6.828 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.964 -4.106 7.919 1.00 0.00 C ATOM 0 H TRP A 4 2.958 0.182 5.407 1.00 0.00 H new ATOM 0 HA TRP A 4 1.085 -1.443 3.793 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.718 0.991 5.598 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.587 0.085 4.859 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.450 -0.552 7.179 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.905 -2.480 8.809 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -2.178 -1.806 5.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.283 -4.321 9.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.472 -3.650 6.444 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.532 -4.907 8.370 1.00 0.00 H new ATOM 78 N VAL A 5 0.231 0.434 2.159 1.00 0.00 N ATOM 79 CA VAL A 5 0.096 1.324 0.963 1.00 0.00 C ATOM 80 C VAL A 5 -1.342 1.840 0.855 1.00 0.00 C ATOM 81 O VAL A 5 -2.247 1.318 1.476 1.00 0.00 O ATOM 82 CB VAL A 5 0.445 0.519 -0.291 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.638 1.465 -1.477 1.00 0.00 C ATOM 84 CG2 VAL A 5 1.740 -0.264 -0.051 1.00 0.00 C ATOM 0 H VAL A 5 -0.547 -0.209 2.308 1.00 0.00 H new ATOM 0 HA VAL A 5 0.770 2.175 1.062 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.368 -0.174 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.886 0.887 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.282 2.022 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.448 2.161 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.989 -0.838 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.550 0.431 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.604 -0.943 0.790 1.00 0.00 H new ATOM 94 N SER A 6 -1.554 2.868 0.065 1.00 0.00 N ATOM 95 CA SER A 6 -2.928 3.445 -0.106 1.00 0.00 C ATOM 96 C SER A 6 -3.428 3.141 -1.538 1.00 0.00 C ATOM 97 O SER A 6 -2.622 2.999 -2.436 1.00 0.00 O ATOM 98 CB SER A 6 -2.845 4.963 0.095 1.00 0.00 C ATOM 99 OG SER A 6 -2.824 5.249 1.488 1.00 0.00 O ATOM 0 H SER A 6 -0.826 3.337 -0.474 1.00 0.00 H new ATOM 0 HA SER A 6 -3.617 3.010 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.948 5.357 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.698 5.452 -0.376 1.00 0.00 H new ATOM 0 HG SER A 6 -2.769 6.218 1.622 1.00 0.00 H new ATOM 105 N PRO A 7 -4.736 3.055 -1.730 1.00 0.00 N ATOM 106 CA PRO A 7 -5.302 2.777 -3.069 1.00 0.00 C ATOM 107 C PRO A 7 -4.781 3.793 -4.100 1.00 0.00 C ATOM 108 O PRO A 7 -4.400 3.439 -5.198 1.00 0.00 O ATOM 109 CB PRO A 7 -6.836 2.904 -2.888 1.00 0.00 C ATOM 110 CG PRO A 7 -7.107 3.209 -1.386 1.00 0.00 C ATOM 111 CD PRO A 7 -5.745 3.219 -0.658 1.00 0.00 C ATOM 0 HA PRO A 7 -5.018 1.793 -3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.232 3.700 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.335 1.983 -3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.608 4.171 -1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.766 2.455 -0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.595 4.152 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.681 2.411 0.071 1.00 0.00 H new ATOM 119 N LYS A 8 -4.785 5.052 -3.759 1.00 0.00 N ATOM 120 CA LYS A 8 -4.317 6.092 -4.722 1.00 0.00 C ATOM 121 C LYS A 8 -2.867 5.821 -5.149 1.00 0.00 C ATOM 122 O LYS A 8 -2.461 6.183 -6.235 1.00 0.00 O ATOM 123 CB LYS A 8 -4.417 7.473 -4.062 1.00 0.00 C ATOM 124 CG LYS A 8 -3.985 7.376 -2.595 1.00 0.00 C ATOM 125 CD LYS A 8 -3.654 8.772 -2.059 1.00 0.00 C ATOM 126 CE LYS A 8 -4.913 9.640 -2.082 1.00 0.00 C ATOM 127 NZ LYS A 8 -4.684 10.869 -1.270 1.00 0.00 N ATOM 0 H LYS A 8 -5.092 5.407 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.947 6.062 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.785 8.186 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.440 7.844 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.781 6.927 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.115 6.726 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.268 8.700 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.873 9.230 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.163 9.910 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.760 9.081 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.540 11.460 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.466 10.601 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.887 11.405 -1.668 1.00 0.00 H new ATOM 141 N GLU A 9 -2.079 5.191 -4.317 1.00 0.00 N ATOM 142 CA GLU A 9 -0.663 4.914 -4.709 1.00 0.00 C ATOM 143 C GLU A 9 -0.604 3.628 -5.537 1.00 0.00 C ATOM 144 O GLU A 9 0.298 3.431 -6.328 1.00 0.00 O ATOM 145 CB GLU A 9 0.204 4.752 -3.455 1.00 0.00 C ATOM 146 CG GLU A 9 0.177 6.041 -2.626 1.00 0.00 C ATOM 147 CD GLU A 9 0.760 7.199 -3.440 1.00 0.00 C ATOM 148 OE1 GLU A 9 1.504 6.930 -4.368 1.00 0.00 O ATOM 149 OE2 GLU A 9 0.451 8.336 -3.121 1.00 0.00 O ATOM 0 H GLU A 9 -2.350 4.859 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.287 5.749 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.161 3.918 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.229 4.515 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.847 6.272 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.750 5.905 -1.709 1.00 0.00 H new ATOM 156 N LEU A 10 -1.556 2.753 -5.367 1.00 0.00 N ATOM 157 CA LEU A 10 -1.554 1.483 -6.149 1.00 0.00 C ATOM 158 C LEU A 10 -2.163 1.739 -7.529 1.00 0.00 C ATOM 159 O LEU A 10 -1.960 0.983 -8.458 1.00 0.00 O ATOM 160 CB LEU A 10 -2.390 0.431 -5.414 1.00 0.00 C ATOM 161 CG LEU A 10 -1.729 0.066 -4.076 1.00 0.00 C ATOM 162 CD1 LEU A 10 -2.742 -0.669 -3.194 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.504 -0.838 -4.309 1.00 0.00 C ATOM 0 H LEU A 10 -2.337 2.862 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.531 1.124 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.396 0.813 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.491 -0.461 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.402 0.982 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.276 -0.929 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.601 -0.024 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.071 -1.578 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.048 -1.087 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.818 -1.754 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.222 -0.314 -4.931 1.00 0.00 H new ATOM 175 N ALA A 11 -2.922 2.794 -7.658 1.00 0.00 N ATOM 176 CA ALA A 11 -3.559 3.121 -8.969 1.00 0.00 C ATOM 177 C ALA A 11 -2.496 3.439 -10.034 1.00 0.00 C ATOM 178 O ALA A 11 -2.727 4.248 -10.910 1.00 0.00 O ATOM 179 CB ALA A 11 -4.475 4.333 -8.795 1.00 0.00 C ATOM 0 H ALA A 11 -3.130 3.450 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.134 2.256 -9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.942 4.576 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.247 4.103 -8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.889 5.185 -8.451 1.00 0.00 H new ATOM 185 N ASN A 12 -1.334 2.833 -9.977 1.00 0.00 N ATOM 186 CA ASN A 12 -0.283 3.141 -10.999 1.00 0.00 C ATOM 187 C ASN A 12 0.552 1.892 -11.310 1.00 0.00 C ATOM 188 O ASN A 12 1.344 1.890 -12.231 1.00 0.00 O ATOM 189 CB ASN A 12 0.636 4.240 -10.463 1.00 0.00 C ATOM 190 CG ASN A 12 -0.176 5.517 -10.235 1.00 0.00 C ATOM 191 OD1 ASN A 12 -0.308 5.974 -9.116 1.00 0.00 O ATOM 192 ND2 ASN A 12 -0.729 6.114 -11.254 1.00 0.00 N ATOM 0 H ASN A 12 -1.069 2.144 -9.273 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.772 3.473 -11.915 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.099 3.919 -9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.443 4.431 -11.170 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.273 6.965 -11.113 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.618 5.730 -12.192 1.00 0.00 H new ATOM 199 N LEU A 13 0.383 0.825 -10.574 1.00 0.00 N ATOM 200 CA LEU A 13 1.176 -0.403 -10.874 1.00 0.00 C ATOM 201 C LEU A 13 0.515 -1.115 -12.073 1.00 0.00 C ATOM 202 O LEU A 13 -0.687 -1.042 -12.215 1.00 0.00 O ATOM 203 CB LEU A 13 1.175 -1.328 -9.647 1.00 0.00 C ATOM 204 CG LEU A 13 1.526 -0.535 -8.378 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.828 -1.511 -7.237 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.760 0.341 -8.628 1.00 0.00 C ATOM 0 H LEU A 13 -0.262 0.750 -9.787 1.00 0.00 H new ATOM 0 HA LEU A 13 2.208 -0.145 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.195 -1.792 -9.534 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.895 -2.134 -9.791 1.00 0.00 H new ATOM 0 HG LEU A 13 0.681 0.101 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.077 -0.951 -6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.952 -2.132 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.670 -2.146 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.000 0.898 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.606 -0.291 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.553 1.039 -9.439 1.00 0.00 H new ATOM 218 N PRO A 14 1.291 -1.776 -12.916 1.00 0.00 N ATOM 219 CA PRO A 14 0.723 -2.470 -14.091 1.00 0.00 C ATOM 220 C PRO A 14 -0.330 -3.505 -13.660 1.00 0.00 C ATOM 221 O PRO A 14 -1.503 -3.368 -13.944 1.00 0.00 O ATOM 222 CB PRO A 14 1.932 -3.150 -14.780 1.00 0.00 C ATOM 223 CG PRO A 14 3.184 -2.876 -13.898 1.00 0.00 C ATOM 224 CD PRO A 14 2.761 -1.893 -12.784 1.00 0.00 C ATOM 0 HA PRO A 14 0.210 -1.784 -14.764 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.762 -4.222 -14.883 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.075 -2.752 -15.784 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.560 -3.804 -13.468 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.990 -2.453 -14.497 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.040 -2.268 -11.799 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.247 -0.925 -12.906 1.00 0.00 H new ATOM 232 N GLY A 15 0.091 -4.545 -12.996 1.00 0.00 N ATOM 233 CA GLY A 15 -0.867 -5.605 -12.559 1.00 0.00 C ATOM 234 C GLY A 15 -2.134 -4.972 -11.979 1.00 0.00 C ATOM 235 O GLY A 15 -3.221 -5.497 -12.120 1.00 0.00 O ATOM 0 H GLY A 15 1.063 -4.709 -12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.125 -6.242 -13.405 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.397 -6.244 -11.811 1.00 0.00 H new ATOM 239 N LEU A 16 -2.006 -3.850 -11.323 1.00 0.00 N ATOM 240 CA LEU A 16 -3.202 -3.182 -10.725 1.00 0.00 C ATOM 241 C LEU A 16 -3.735 -2.120 -11.714 1.00 0.00 C ATOM 242 O LEU A 16 -2.959 -1.557 -12.456 1.00 0.00 O ATOM 243 CB LEU A 16 -2.772 -2.503 -9.419 1.00 0.00 C ATOM 244 CG LEU A 16 -1.952 -3.487 -8.575 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.622 -2.842 -7.228 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.762 -4.772 -8.344 1.00 0.00 C ATOM 0 H LEU A 16 -1.122 -3.364 -11.174 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.987 -3.911 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.180 -1.614 -9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.649 -2.174 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.029 -3.734 -9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.039 -3.538 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.045 -1.932 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.547 -2.596 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.176 -5.468 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.686 -4.530 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.999 -5.230 -9.304 1.00 0.00 H new ATOM 258 N PRO A 17 -5.033 -1.860 -11.712 1.00 0.00 N ATOM 259 CA PRO A 17 -5.606 -0.852 -12.628 1.00 0.00 C ATOM 260 C PRO A 17 -4.876 0.490 -12.458 1.00 0.00 C ATOM 261 O PRO A 17 -3.956 0.612 -11.673 1.00 0.00 O ATOM 262 CB PRO A 17 -7.097 -0.746 -12.227 1.00 0.00 C ATOM 263 CG PRO A 17 -7.345 -1.764 -11.075 1.00 0.00 C ATOM 264 CD PRO A 17 -6.021 -2.522 -10.829 1.00 0.00 C ATOM 0 HA PRO A 17 -5.499 -1.127 -13.677 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.336 0.267 -11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.740 -0.967 -13.079 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.665 -1.248 -10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.140 -2.459 -11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.719 -2.461 -9.783 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.121 -3.580 -11.071 1.00 0.00 H new ATOM 272 N LYS A 18 -5.282 1.493 -13.198 1.00 0.00 N ATOM 273 CA LYS A 18 -4.622 2.834 -13.101 1.00 0.00 C ATOM 274 C LYS A 18 -5.517 3.797 -12.319 1.00 0.00 C ATOM 275 O LYS A 18 -5.265 4.986 -12.268 1.00 0.00 O ATOM 276 CB LYS A 18 -4.400 3.383 -14.513 1.00 0.00 C ATOM 277 CG LYS A 18 -3.895 2.260 -15.418 1.00 0.00 C ATOM 278 CD LYS A 18 -3.380 2.855 -16.730 1.00 0.00 C ATOM 279 CE LYS A 18 -3.196 1.738 -17.760 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.167 0.778 -17.270 1.00 0.00 N ATOM 0 H LYS A 18 -6.048 1.440 -13.870 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.667 2.733 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.330 3.792 -14.907 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.678 4.199 -14.489 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.099 1.707 -14.920 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.698 1.551 -15.618 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.084 3.598 -17.106 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.433 3.369 -16.562 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.142 1.222 -17.926 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.890 2.158 -18.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.855 0.172 -18.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.352 1.304 -16.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.574 0.187 -16.517 1.00 0.00 H new ATOM 294 N THR A 19 -6.565 3.296 -11.715 1.00 0.00 N ATOM 295 CA THR A 19 -7.492 4.178 -10.937 1.00 0.00 C ATOM 296 C THR A 19 -7.810 3.525 -9.591 1.00 0.00 C ATOM 297 O THR A 19 -8.105 2.349 -9.512 1.00 0.00 O ATOM 298 CB THR A 19 -8.788 4.367 -11.728 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.615 3.224 -11.562 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.458 4.551 -13.210 1.00 0.00 C ATOM 0 H THR A 19 -6.821 2.309 -11.727 1.00 0.00 H new ATOM 0 HA THR A 19 -7.019 5.145 -10.767 1.00 0.00 H new ATOM 0 HB THR A 19 -9.313 5.249 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.446 3.345 -12.067 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.381 4.686 -13.774 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.825 5.429 -13.335 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.933 3.669 -13.578 1.00 0.00 H new ATOM 308 N SER A 20 -7.754 4.283 -8.529 1.00 0.00 N ATOM 309 CA SER A 20 -8.053 3.711 -7.187 1.00 0.00 C ATOM 310 C SER A 20 -9.413 3.011 -7.224 1.00 0.00 C ATOM 311 O SER A 20 -9.643 2.042 -6.528 1.00 0.00 O ATOM 312 CB SER A 20 -8.084 4.835 -6.150 1.00 0.00 C ATOM 313 OG SER A 20 -8.797 5.944 -6.682 1.00 0.00 O ATOM 0 H SER A 20 -7.514 5.274 -8.534 1.00 0.00 H new ATOM 0 HA SER A 20 -7.281 2.990 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.561 4.487 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.069 5.132 -5.888 1.00 0.00 H new ATOM 0 HG SER A 20 -8.821 6.666 -6.020 1.00 0.00 H new ATOM 319 N ALA A 21 -10.316 3.495 -8.031 1.00 0.00 N ATOM 320 CA ALA A 21 -11.659 2.858 -8.112 1.00 0.00 C ATOM 321 C ALA A 21 -11.498 1.371 -8.421 1.00 0.00 C ATOM 322 O ALA A 21 -12.043 0.521 -7.744 1.00 0.00 O ATOM 323 CB ALA A 21 -12.477 3.526 -9.220 1.00 0.00 C ATOM 0 H ALA A 21 -10.181 4.304 -8.638 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.176 2.977 -7.160 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.460 3.059 -9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.592 4.587 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.962 3.409 -10.174 1.00 0.00 H new ATOM 329 N GLY A 22 -10.751 1.051 -9.438 1.00 0.00 N ATOM 330 CA GLY A 22 -10.549 -0.381 -9.796 1.00 0.00 C ATOM 331 C GLY A 22 -9.773 -1.080 -8.679 1.00 0.00 C ATOM 332 O GLY A 22 -9.943 -2.258 -8.435 1.00 0.00 O ATOM 0 H GLY A 22 -10.270 1.720 -10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.512 -0.869 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.003 -0.459 -10.736 1.00 0.00 H new ATOM 336 N VAL A 23 -8.923 -0.365 -7.995 1.00 0.00 N ATOM 337 CA VAL A 23 -8.140 -0.993 -6.894 1.00 0.00 C ATOM 338 C VAL A 23 -9.090 -1.420 -5.776 1.00 0.00 C ATOM 339 O VAL A 23 -9.106 -2.562 -5.365 1.00 0.00 O ATOM 340 CB VAL A 23 -7.131 0.016 -6.344 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.342 -0.623 -5.199 1.00 0.00 C ATOM 342 CG2 VAL A 23 -6.167 0.432 -7.457 1.00 0.00 C ATOM 0 H VAL A 23 -8.737 0.626 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.610 -1.865 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.661 0.894 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.623 0.096 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.028 -0.920 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.812 -1.501 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.448 1.151 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.638 -0.446 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.728 0.888 -8.273 1.00 0.00 H new ATOM 352 N ILE A 24 -9.883 -0.511 -5.281 1.00 0.00 N ATOM 353 CA ILE A 24 -10.832 -0.867 -4.191 1.00 0.00 C ATOM 354 C ILE A 24 -11.820 -1.916 -4.708 1.00 0.00 C ATOM 355 O ILE A 24 -12.097 -2.898 -4.049 1.00 0.00 O ATOM 356 CB ILE A 24 -11.577 0.395 -3.738 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.582 1.324 -3.015 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.713 0.006 -2.783 1.00 0.00 C ATOM 359 CD1 ILE A 24 -11.153 2.745 -2.883 1.00 0.00 C ATOM 0 H ILE A 24 -9.915 0.462 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.290 -1.281 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.001 0.908 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.359 0.924 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.642 1.355 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.242 0.903 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.407 -0.660 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.298 -0.502 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.432 3.381 -2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.353 3.151 -3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.080 2.713 -2.311 1.00 0.00 H new ATOM 371 N TYR A 25 -12.347 -1.725 -5.887 1.00 0.00 N ATOM 372 CA TYR A 25 -13.303 -2.724 -6.441 1.00 0.00 C ATOM 373 C TYR A 25 -12.594 -4.073 -6.566 1.00 0.00 C ATOM 374 O TYR A 25 -13.147 -5.111 -6.258 1.00 0.00 O ATOM 375 CB TYR A 25 -13.786 -2.266 -7.821 1.00 0.00 C ATOM 376 CG TYR A 25 -14.640 -3.347 -8.443 1.00 0.00 C ATOM 377 CD1 TYR A 25 -16.028 -3.374 -8.206 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.046 -4.328 -9.260 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.822 -4.381 -8.787 1.00 0.00 C ATOM 380 CE2 TYR A 25 -14.840 -5.335 -9.842 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.228 -5.362 -9.605 1.00 0.00 C ATOM 382 OH TYR A 25 -17.006 -6.349 -10.175 1.00 0.00 O ATOM 0 H TYR A 25 -12.157 -0.923 -6.488 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.162 -2.819 -5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.359 -1.343 -7.729 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.932 -2.048 -8.463 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.483 -2.622 -7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.981 -4.308 -9.440 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.886 -4.401 -8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.385 -6.086 -10.470 1.00 0.00 H new ATOM 0 HH TYR A 25 -16.440 -6.944 -10.710 1.00 0.00 H new ATOM 392 N VAL A 26 -11.367 -4.064 -7.010 1.00 0.00 N ATOM 393 CA VAL A 26 -10.611 -5.340 -7.150 1.00 0.00 C ATOM 394 C VAL A 26 -10.187 -5.823 -5.759 1.00 0.00 C ATOM 395 O VAL A 26 -10.005 -7.001 -5.529 1.00 0.00 O ATOM 396 CB VAL A 26 -9.370 -5.107 -8.024 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.435 -6.318 -7.941 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.805 -4.905 -9.479 1.00 0.00 C ATOM 0 H VAL A 26 -10.854 -3.225 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.240 -6.095 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.844 -4.222 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.558 -6.144 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.122 -6.466 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.959 -7.207 -8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.926 -4.739 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.334 -5.792 -9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.465 -4.040 -9.545 1.00 0.00 H new ATOM 408 N ALA A 27 -10.032 -4.919 -4.830 1.00 0.00 N ATOM 409 CA ALA A 27 -9.625 -5.328 -3.457 1.00 0.00 C ATOM 410 C ALA A 27 -10.583 -6.408 -2.955 1.00 0.00 C ATOM 411 O ALA A 27 -10.203 -7.301 -2.224 1.00 0.00 O ATOM 412 CB ALA A 27 -9.683 -4.118 -2.523 1.00 0.00 C ATOM 0 H ALA A 27 -10.169 -3.917 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.607 -5.718 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.385 -4.419 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.006 -3.345 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.700 -3.726 -2.498 1.00 0.00 H new ATOM 418 N LYS A 28 -11.823 -6.334 -3.348 1.00 0.00 N ATOM 419 CA LYS A 28 -12.809 -7.355 -2.903 1.00 0.00 C ATOM 420 C LYS A 28 -12.494 -8.686 -3.589 1.00 0.00 C ATOM 421 O LYS A 28 -12.774 -9.747 -3.068 1.00 0.00 O ATOM 422 CB LYS A 28 -14.219 -6.896 -3.286 1.00 0.00 C ATOM 423 CG LYS A 28 -14.581 -5.628 -2.497 1.00 0.00 C ATOM 424 CD LYS A 28 -15.729 -4.892 -3.195 1.00 0.00 C ATOM 425 CE LYS A 28 -16.357 -3.884 -2.229 1.00 0.00 C ATOM 426 NZ LYS A 28 -17.264 -2.974 -2.984 1.00 0.00 N ATOM 0 H LYS A 28 -12.197 -5.608 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.753 -7.481 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.269 -6.697 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.939 -7.686 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.871 -5.892 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.711 -4.975 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.359 -4.378 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.481 -5.606 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.914 -4.407 -1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.578 -3.307 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.692 -2.288 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.720 -2.466 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.014 -3.532 -3.440 1.00 0.00 H new ATOM 440 N LYS A 29 -11.909 -8.636 -4.755 1.00 0.00 N ATOM 441 CA LYS A 29 -11.568 -9.894 -5.477 1.00 0.00 C ATOM 442 C LYS A 29 -10.524 -10.670 -4.668 1.00 0.00 C ATOM 443 O LYS A 29 -10.125 -11.760 -5.029 1.00 0.00 O ATOM 444 CB LYS A 29 -11.004 -9.549 -6.860 1.00 0.00 C ATOM 445 CG LYS A 29 -11.080 -10.777 -7.770 1.00 0.00 C ATOM 446 CD LYS A 29 -10.550 -10.416 -9.160 1.00 0.00 C ATOM 447 CE LYS A 29 -10.700 -11.619 -10.092 1.00 0.00 C ATOM 448 NZ LYS A 29 -12.137 -11.795 -10.449 1.00 0.00 N ATOM 0 H LYS A 29 -11.652 -7.776 -5.239 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.461 -10.507 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.567 -8.725 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.970 -9.216 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.495 -11.593 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.110 -11.127 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.098 -9.563 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.503 -10.121 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.106 -11.470 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.322 -12.518 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.216 -12.435 -11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.649 -12.201 -9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.550 -10.872 -10.692 1.00 0.00 H new ATOM 462 N GLN A 30 -10.083 -10.114 -3.572 1.00 0.00 N ATOM 463 CA GLN A 30 -9.066 -10.806 -2.725 1.00 0.00 C ATOM 464 C GLN A 30 -9.266 -10.378 -1.270 1.00 0.00 C ATOM 465 O GLN A 30 -9.550 -11.186 -0.408 1.00 0.00 O ATOM 466 CB GLN A 30 -7.661 -10.411 -3.185 1.00 0.00 C ATOM 467 CG GLN A 30 -7.325 -11.141 -4.488 1.00 0.00 C ATOM 468 CD GLN A 30 -5.876 -10.847 -4.878 1.00 0.00 C ATOM 469 OE1 GLN A 30 -4.984 -11.611 -4.568 1.00 0.00 O ATOM 470 NE2 GLN A 30 -5.603 -9.764 -5.553 1.00 0.00 N ATOM 0 H GLN A 30 -10.385 -9.204 -3.224 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.181 -11.886 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.606 -9.333 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.931 -10.663 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.469 -12.214 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.999 -10.819 -5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.352 -9.123 -5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.640 -9.559 -5.820 1.00 0.00 H new ATOM 479 N GLY A 31 -9.133 -9.108 -0.993 1.00 0.00 N ATOM 480 CA GLY A 31 -9.330 -8.614 0.403 1.00 0.00 C ATOM 481 C GLY A 31 -7.987 -8.534 1.131 1.00 0.00 C ATOM 482 O GLY A 31 -7.865 -8.949 2.265 1.00 0.00 O ATOM 0 H GLY A 31 -8.896 -8.388 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.801 -7.631 0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.004 -9.281 0.941 1.00 0.00 H new ATOM 486 N TRP A 32 -6.978 -7.994 0.499 1.00 0.00 N ATOM 487 CA TRP A 32 -5.656 -7.884 1.180 1.00 0.00 C ATOM 488 C TRP A 32 -5.860 -7.284 2.575 1.00 0.00 C ATOM 489 O TRP A 32 -6.585 -6.323 2.740 1.00 0.00 O ATOM 490 CB TRP A 32 -4.731 -6.962 0.383 1.00 0.00 C ATOM 491 CG TRP A 32 -4.700 -7.368 -1.055 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.346 -8.592 -1.511 1.00 0.00 C ATOM 493 CD2 TRP A 32 -4.981 -6.556 -2.229 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.418 -8.592 -2.894 1.00 0.00 N ATOM 495 CE2 TRP A 32 -4.800 -7.360 -3.387 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.382 -5.211 -2.403 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.008 -6.845 -4.675 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.590 -4.689 -3.698 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.402 -5.506 -4.831 1.00 0.00 C ATOM 0 H TRP A 32 -7.012 -7.627 -0.452 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.209 -8.875 1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.074 -5.931 0.469 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.724 -6.999 0.799 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.055 -9.431 -0.897 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.214 -9.403 -3.477 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.530 -4.579 -1.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -4.866 -7.474 -5.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.894 -3.660 -3.821 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.561 -5.102 -5.820 1.00 0.00 H new ATOM 510 N GLN A 33 -5.223 -7.828 3.578 1.00 0.00 N ATOM 511 CA GLN A 33 -5.385 -7.264 4.952 1.00 0.00 C ATOM 512 C GLN A 33 -5.221 -5.740 4.894 1.00 0.00 C ATOM 513 O GLN A 33 -4.122 -5.227 4.856 1.00 0.00 O ATOM 514 CB GLN A 33 -4.339 -7.871 5.919 1.00 0.00 C ATOM 515 CG GLN A 33 -2.957 -8.065 5.231 1.00 0.00 C ATOM 516 CD GLN A 33 -2.492 -9.524 5.361 1.00 0.00 C ATOM 517 OE1 GLN A 33 -3.063 -10.410 4.754 1.00 0.00 O ATOM 518 NE2 GLN A 33 -1.475 -9.809 6.127 1.00 0.00 N ATOM 0 H GLN A 33 -4.601 -8.633 3.507 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.379 -7.514 5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.225 -7.220 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.699 -8.832 6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.027 -7.792 4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.222 -7.401 5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.996 -9.066 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.159 -10.775 6.217 1.00 0.00 H new ATOM 527 N ASN A 34 -6.315 -5.020 4.875 1.00 0.00 N ATOM 528 CA ASN A 34 -6.247 -3.527 4.810 1.00 0.00 C ATOM 529 C ASN A 34 -6.469 -2.940 6.208 1.00 0.00 C ATOM 530 O ASN A 34 -7.476 -3.188 6.841 1.00 0.00 O ATOM 531 CB ASN A 34 -7.342 -3.014 3.866 1.00 0.00 C ATOM 532 CG ASN A 34 -8.620 -3.827 4.082 1.00 0.00 C ATOM 533 OD1 ASN A 34 -9.374 -3.562 4.997 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.897 -4.812 3.273 1.00 0.00 N ATOM 0 H ASN A 34 -7.259 -5.405 4.902 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.267 -3.223 4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.534 -1.958 4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.014 -3.099 2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.747 -5.360 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.264 -5.034 2.505 1.00 0.00 H new ATOM 541 N ARG A 35 -5.540 -2.158 6.693 1.00 0.00 N ATOM 542 CA ARG A 35 -5.704 -1.548 8.047 1.00 0.00 C ATOM 543 C ARG A 35 -6.474 -0.227 7.911 1.00 0.00 C ATOM 544 O ARG A 35 -6.073 0.665 7.191 1.00 0.00 O ATOM 545 CB ARG A 35 -4.308 -1.289 8.665 1.00 0.00 C ATOM 546 CG ARG A 35 -3.924 -2.425 9.633 1.00 0.00 C ATOM 547 CD ARG A 35 -4.553 -2.173 11.010 1.00 0.00 C ATOM 548 NE ARG A 35 -4.246 -3.319 11.911 1.00 0.00 N ATOM 549 CZ ARG A 35 -4.425 -3.202 13.199 1.00 0.00 C ATOM 550 NH1 ARG A 35 -4.873 -2.081 13.697 1.00 0.00 N ATOM 551 NH2 ARG A 35 -4.157 -4.205 13.989 1.00 0.00 N ATOM 0 H ARG A 35 -4.675 -1.915 6.210 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.260 -2.224 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.563 -1.211 7.873 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.310 -0.337 9.196 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.264 -3.382 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.840 -2.486 9.724 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.165 -1.247 11.435 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.632 -2.051 10.913 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.896 -4.195 11.522 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.083 -1.297 13.080 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.013 -1.990 14.703 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.807 -5.081 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.297 -4.113 14.995 1.00 0.00 H new ATOM 565 N THR A 36 -7.573 -0.091 8.606 1.00 0.00 N ATOM 566 CA THR A 36 -8.363 1.175 8.524 1.00 0.00 C ATOM 567 C THR A 36 -7.904 2.116 9.641 1.00 0.00 C ATOM 568 O THR A 36 -7.412 1.681 10.663 1.00 0.00 O ATOM 569 CB THR A 36 -9.853 0.862 8.696 1.00 0.00 C ATOM 570 OG1 THR A 36 -10.191 -0.266 7.899 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.687 2.067 8.257 1.00 0.00 C ATOM 0 H THR A 36 -7.959 -0.802 9.228 1.00 0.00 H new ATOM 0 HA THR A 36 -8.207 1.647 7.554 1.00 0.00 H new ATOM 0 HB THR A 36 -10.060 0.645 9.744 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.143 -0.470 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.746 1.841 8.381 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.427 2.932 8.868 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.483 2.288 7.209 1.00 0.00 H new ATOM 579 N ARG A 37 -8.053 3.401 9.457 1.00 0.00 N ATOM 580 CA ARG A 37 -7.614 4.363 10.514 1.00 0.00 C ATOM 581 C ARG A 37 -8.503 5.608 10.480 1.00 0.00 C ATOM 582 O ARG A 37 -8.154 6.615 9.898 1.00 0.00 O ATOM 583 CB ARG A 37 -6.157 4.765 10.257 1.00 0.00 C ATOM 584 CG ARG A 37 -5.654 5.692 11.376 1.00 0.00 C ATOM 585 CD ARG A 37 -5.657 4.954 12.724 1.00 0.00 C ATOM 586 NE ARG A 37 -4.618 5.547 13.611 1.00 0.00 N ATOM 587 CZ ARG A 37 -4.629 5.292 14.891 1.00 0.00 C ATOM 588 NH1 ARG A 37 -5.550 4.514 15.391 1.00 0.00 N ATOM 589 NH2 ARG A 37 -3.721 5.813 15.669 1.00 0.00 N ATOM 0 H ARG A 37 -8.458 3.827 8.623 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.697 3.891 11.493 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.531 3.874 10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.076 5.269 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.646 6.037 11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.288 6.577 11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.638 5.031 13.192 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.459 3.893 12.571 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.897 6.153 13.218 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.259 4.107 14.782 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.560 4.313 16.391 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.001 6.420 15.277 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.731 5.613 16.669 1.00 0.00 H new ATOM 603 N ALA A 38 -9.648 5.546 11.101 1.00 0.00 N ATOM 604 CA ALA A 38 -10.559 6.725 11.114 1.00 0.00 C ATOM 605 C ALA A 38 -10.027 7.774 12.096 1.00 0.00 C ATOM 606 O ALA A 38 -10.738 8.229 12.970 1.00 0.00 O ATOM 607 CB ALA A 38 -11.954 6.282 11.555 1.00 0.00 C ATOM 0 H ALA A 38 -9.993 4.727 11.602 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.609 7.156 10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.623 7.143 11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.335 5.535 10.859 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.900 5.852 12.555 1.00 0.00 H new ATOM 613 N GLY A 39 -8.782 8.161 11.968 1.00 0.00 N ATOM 614 CA GLY A 39 -8.206 9.178 12.905 1.00 0.00 C ATOM 615 C GLY A 39 -7.247 10.109 12.156 1.00 0.00 C ATOM 616 O GLY A 39 -6.790 11.098 12.694 1.00 0.00 O ATOM 0 H GLY A 39 -8.138 7.817 11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.008 9.760 13.359 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.678 8.677 13.716 1.00 0.00 H new ATOM 620 N VAL A 40 -6.934 9.810 10.922 1.00 0.00 N ATOM 621 CA VAL A 40 -6.003 10.690 10.158 1.00 0.00 C ATOM 622 C VAL A 40 -6.785 11.886 9.598 1.00 0.00 C ATOM 623 O VAL A 40 -6.460 13.026 9.861 1.00 0.00 O ATOM 624 CB VAL A 40 -5.350 9.885 9.009 1.00 0.00 C ATOM 625 CG1 VAL A 40 -4.034 9.260 9.488 1.00 0.00 C ATOM 626 CG2 VAL A 40 -6.291 8.764 8.559 1.00 0.00 C ATOM 0 H VAL A 40 -7.282 8.998 10.413 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.215 11.056 10.817 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.155 10.562 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.581 8.695 8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.352 10.048 9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.232 8.592 10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.826 8.201 7.750 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.490 8.097 9.398 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.229 9.195 8.208 1.00 0.00 H new ATOM 636 N LYS A 41 -7.812 11.638 8.832 1.00 0.00 N ATOM 637 CA LYS A 41 -8.611 12.762 8.261 1.00 0.00 C ATOM 638 C LYS A 41 -10.015 12.265 7.919 1.00 0.00 C ATOM 639 O LYS A 41 -10.987 12.637 8.547 1.00 0.00 O ATOM 640 CB LYS A 41 -7.934 13.285 6.988 1.00 0.00 C ATOM 641 CG LYS A 41 -6.623 13.994 7.344 1.00 0.00 C ATOM 642 CD LYS A 41 -6.146 14.823 6.149 1.00 0.00 C ATOM 643 CE LYS A 41 -4.899 15.614 6.546 1.00 0.00 C ATOM 644 NZ LYS A 41 -4.339 16.293 5.344 1.00 0.00 N ATOM 0 H LYS A 41 -8.134 10.705 8.576 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.674 13.567 8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.736 12.458 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.600 13.974 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.770 14.638 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.864 13.261 7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.923 14.170 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.934 15.503 5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.150 16.351 7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.155 14.946 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.491 16.831 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.085 15.581 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.050 16.941 4.949 1.00 0.00 H new ATOM 658 N GLY A 42 -10.130 11.430 6.926 1.00 0.00 N ATOM 659 CA GLY A 42 -11.473 10.908 6.539 1.00 0.00 C ATOM 660 C GLY A 42 -12.067 10.108 7.699 1.00 0.00 C ATOM 661 O GLY A 42 -11.380 9.748 8.634 1.00 0.00 O ATOM 0 H GLY A 42 -9.352 11.085 6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.134 11.734 6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.388 10.277 5.655 1.00 0.00 H new ATOM 665 N GLY A 43 -13.341 9.826 7.646 1.00 0.00 N ATOM 666 CA GLY A 43 -13.979 9.049 8.746 1.00 0.00 C ATOM 667 C GLY A 43 -13.465 7.608 8.719 1.00 0.00 C ATOM 668 O GLY A 43 -13.813 6.800 9.556 1.00 0.00 O ATOM 0 H GLY A 43 -13.967 10.100 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.753 9.509 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.063 9.062 8.633 1.00 0.00 H new ATOM 672 N LYS A 44 -12.640 7.280 7.762 1.00 0.00 N ATOM 673 CA LYS A 44 -12.103 5.893 7.683 1.00 0.00 C ATOM 674 C LYS A 44 -11.048 5.813 6.575 1.00 0.00 C ATOM 675 O LYS A 44 -11.359 5.626 5.417 1.00 0.00 O ATOM 676 CB LYS A 44 -13.244 4.905 7.391 1.00 0.00 C ATOM 677 CG LYS A 44 -14.211 5.498 6.359 1.00 0.00 C ATOM 678 CD LYS A 44 -15.335 4.494 6.074 1.00 0.00 C ATOM 679 CE LYS A 44 -14.774 3.230 5.401 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.390 2.241 6.449 1.00 0.00 N ATOM 0 H LYS A 44 -12.315 7.913 7.032 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.644 5.631 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.835 3.966 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.780 4.676 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.630 6.432 6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.677 5.733 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.835 4.226 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.085 4.953 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.520 2.798 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.908 3.484 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.365 2.068 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.638 2.615 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.899 1.348 6.287 1.00 0.00 H new ATOM 694 N ALA A 45 -9.797 5.945 6.923 1.00 0.00 N ATOM 695 CA ALA A 45 -8.722 5.869 5.893 1.00 0.00 C ATOM 696 C ALA A 45 -8.329 4.405 5.698 1.00 0.00 C ATOM 697 O ALA A 45 -7.837 3.761 6.602 1.00 0.00 O ATOM 698 CB ALA A 45 -7.504 6.667 6.363 1.00 0.00 C ATOM 0 H ALA A 45 -9.473 6.102 7.877 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.081 6.286 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.719 6.610 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.788 7.709 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.137 6.251 7.301 1.00 0.00 H new ATOM 704 N ILE A 46 -8.555 3.867 4.528 1.00 0.00 N ATOM 705 CA ILE A 46 -8.206 2.436 4.281 1.00 0.00 C ATOM 706 C ILE A 46 -6.752 2.327 3.822 1.00 0.00 C ATOM 707 O ILE A 46 -6.198 3.241 3.244 1.00 0.00 O ATOM 708 CB ILE A 46 -9.122 1.868 3.193 1.00 0.00 C ATOM 709 CG1 ILE A 46 -8.849 0.370 3.032 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.850 2.583 1.867 1.00 0.00 C ATOM 711 CD1 ILE A 46 -9.831 -0.227 2.020 1.00 0.00 C ATOM 0 H ILE A 46 -8.966 4.356 3.733 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.336 1.872 5.205 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.163 2.021 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.824 0.211 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.951 -0.134 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.503 2.177 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.043 3.649 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.810 2.432 1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.634 -1.293 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.852 -0.082 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.707 0.268 1.057 1.00 0.00 H new ATOM 723 N GLU A 47 -6.134 1.204 4.075 1.00 0.00 N ATOM 724 CA GLU A 47 -4.714 1.001 3.660 1.00 0.00 C ATOM 725 C GLU A 47 -4.562 -0.429 3.137 1.00 0.00 C ATOM 726 O GLU A 47 -5.476 -1.223 3.220 1.00 0.00 O ATOM 727 CB GLU A 47 -3.793 1.204 4.868 1.00 0.00 C ATOM 728 CG GLU A 47 -3.602 2.701 5.124 1.00 0.00 C ATOM 729 CD GLU A 47 -2.685 2.901 6.331 1.00 0.00 C ATOM 730 OE1 GLU A 47 -1.876 2.023 6.588 1.00 0.00 O ATOM 731 OE2 GLU A 47 -2.804 3.929 6.977 1.00 0.00 O ATOM 0 H GLU A 47 -6.556 0.410 4.556 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.445 1.716 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.222 0.726 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.828 0.730 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.171 3.179 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.567 3.176 5.305 1.00 0.00 H new ATOM 738 N TYR A 48 -3.416 -0.761 2.599 1.00 0.00 N ATOM 739 CA TYR A 48 -3.199 -2.145 2.068 1.00 0.00 C ATOM 740 C TYR A 48 -1.831 -2.659 2.517 1.00 0.00 C ATOM 741 O TYR A 48 -0.829 -1.985 2.388 1.00 0.00 O ATOM 742 CB TYR A 48 -3.252 -2.117 0.540 1.00 0.00 C ATOM 743 CG TYR A 48 -4.668 -1.833 0.091 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.689 -2.768 0.354 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.968 -0.638 -0.590 1.00 0.00 C ATOM 746 CE1 TYR A 48 -7.008 -2.506 -0.064 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.286 -0.378 -1.008 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.306 -1.312 -0.745 1.00 0.00 C ATOM 749 OH TYR A 48 -8.599 -1.056 -1.156 1.00 0.00 O ATOM 0 H TYR A 48 -2.618 -0.133 2.503 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.978 -2.805 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.577 -1.352 0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.915 -3.072 0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.460 -3.685 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.186 0.079 -0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.791 -3.222 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.515 0.539 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.229 -1.487 -0.541 1.00 0.00 H new ATOM 759 N ASN A 49 -1.779 -3.854 3.038 1.00 0.00 N ATOM 760 CA ASN A 49 -0.475 -4.414 3.487 1.00 0.00 C ATOM 761 C ASN A 49 0.327 -4.846 2.256 1.00 0.00 C ATOM 762 O ASN A 49 -0.045 -5.764 1.552 1.00 0.00 O ATOM 763 CB ASN A 49 -0.725 -5.624 4.389 1.00 0.00 C ATOM 764 CG ASN A 49 0.611 -6.245 4.798 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.661 -5.740 4.453 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.616 -7.330 5.525 1.00 0.00 N ATOM 0 H ASN A 49 -2.584 -4.466 3.172 1.00 0.00 H new ATOM 0 HA ASN A 49 0.082 -3.661 4.044 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.283 -5.320 5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.335 -6.361 3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.501 -7.753 5.803 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.265 -7.754 5.815 1.00 0.00 H new ATOM 773 N ALA A 50 1.414 -4.179 1.985 1.00 0.00 N ATOM 774 CA ALA A 50 2.233 -4.535 0.790 1.00 0.00 C ATOM 775 C ALA A 50 2.594 -6.023 0.817 1.00 0.00 C ATOM 776 O ALA A 50 2.829 -6.628 -0.209 1.00 0.00 O ATOM 777 CB ALA A 50 3.516 -3.702 0.789 1.00 0.00 C ATOM 0 H ALA A 50 1.772 -3.401 2.540 1.00 0.00 H new ATOM 0 HA ALA A 50 1.655 -4.328 -0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.117 -3.960 -0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.262 -2.643 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.085 -3.909 1.695 1.00 0.00 H new ATOM 783 N ASN A 51 2.649 -6.617 1.976 1.00 0.00 N ATOM 784 CA ASN A 51 3.008 -8.063 2.052 1.00 0.00 C ATOM 785 C ASN A 51 1.877 -8.914 1.469 1.00 0.00 C ATOM 786 O ASN A 51 2.084 -10.041 1.062 1.00 0.00 O ATOM 787 CB ASN A 51 3.235 -8.454 3.514 1.00 0.00 C ATOM 788 CG ASN A 51 4.478 -7.743 4.049 1.00 0.00 C ATOM 789 OD1 ASN A 51 5.440 -8.381 4.431 1.00 0.00 O ATOM 790 ND2 ASN A 51 4.501 -6.440 4.094 1.00 0.00 N ATOM 0 H ASN A 51 2.462 -6.167 2.872 1.00 0.00 H new ATOM 0 HA ASN A 51 3.919 -8.236 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.364 -8.185 4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.358 -9.534 3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.326 -5.956 4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.694 -5.904 3.774 1.00 0.00 H new ATOM 797 N SER A 52 0.681 -8.392 1.429 1.00 0.00 N ATOM 798 CA SER A 52 -0.466 -9.176 0.878 1.00 0.00 C ATOM 799 C SER A 52 -0.605 -8.918 -0.629 1.00 0.00 C ATOM 800 O SER A 52 -1.350 -9.593 -1.312 1.00 0.00 O ATOM 801 CB SER A 52 -1.747 -8.756 1.597 1.00 0.00 C ATOM 802 OG SER A 52 -1.802 -9.408 2.856 1.00 0.00 O ATOM 0 H SER A 52 0.446 -7.454 1.755 1.00 0.00 H new ATOM 0 HA SER A 52 -0.288 -10.240 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.767 -7.674 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.619 -9.019 0.998 1.00 0.00 H new ATOM 0 HG SER A 52 -2.689 -9.807 2.980 1.00 0.00 H new ATOM 808 N LEU A 53 0.101 -7.952 -1.154 1.00 0.00 N ATOM 809 CA LEU A 53 -0.006 -7.670 -2.617 1.00 0.00 C ATOM 810 C LEU A 53 0.590 -8.859 -3.398 1.00 0.00 C ATOM 811 O LEU A 53 1.494 -9.503 -2.904 1.00 0.00 O ATOM 812 CB LEU A 53 0.789 -6.400 -2.951 1.00 0.00 C ATOM 813 CG LEU A 53 0.072 -5.150 -2.407 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.954 -3.918 -2.655 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.287 -4.957 -3.117 1.00 0.00 C ATOM 0 H LEU A 53 0.743 -7.350 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.052 -7.528 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.789 -6.467 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.911 -6.315 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.104 -5.277 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.453 -3.029 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.908 -4.045 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.128 -3.804 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.781 -4.070 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.124 -4.835 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.916 -5.830 -2.943 1.00 0.00 H new ATOM 827 N PRO A 54 0.095 -9.127 -4.596 1.00 0.00 N ATOM 828 CA PRO A 54 0.627 -10.240 -5.403 1.00 0.00 C ATOM 829 C PRO A 54 2.134 -10.045 -5.618 1.00 0.00 C ATOM 830 O PRO A 54 2.789 -9.334 -4.882 1.00 0.00 O ATOM 831 CB PRO A 54 -0.149 -10.174 -6.742 1.00 0.00 C ATOM 832 CG PRO A 54 -1.110 -8.951 -6.665 1.00 0.00 C ATOM 833 CD PRO A 54 -1.007 -8.371 -5.237 1.00 0.00 C ATOM 0 HA PRO A 54 0.501 -11.211 -4.923 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.540 -10.068 -7.580 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.711 -11.094 -6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.835 -8.200 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.134 -9.253 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.792 -7.303 -5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.942 -8.497 -4.691 1.00 0.00 H new ATOM 841 N VAL A 55 2.686 -10.674 -6.621 1.00 0.00 N ATOM 842 CA VAL A 55 4.148 -10.530 -6.890 1.00 0.00 C ATOM 843 C VAL A 55 4.370 -9.426 -7.927 1.00 0.00 C ATOM 844 O VAL A 55 5.322 -8.676 -7.856 1.00 0.00 O ATOM 845 CB VAL A 55 4.688 -11.850 -7.441 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.209 -11.758 -7.588 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.338 -12.986 -6.478 1.00 0.00 C ATOM 0 H VAL A 55 2.186 -11.284 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 55 4.666 -10.273 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 55 4.240 -12.047 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.594 -12.699 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.460 -10.949 -8.274 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.657 -11.561 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.723 -13.927 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.786 -12.789 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.255 -13.053 -6.372 1.00 0.00 H new ATOM 857 N GLU A 56 3.501 -9.331 -8.895 1.00 0.00 N ATOM 858 CA GLU A 56 3.660 -8.286 -9.946 1.00 0.00 C ATOM 859 C GLU A 56 3.621 -6.891 -9.316 1.00 0.00 C ATOM 860 O GLU A 56 4.329 -5.994 -9.734 1.00 0.00 O ATOM 861 CB GLU A 56 2.526 -8.414 -10.966 1.00 0.00 C ATOM 862 CG GLU A 56 2.543 -9.818 -11.575 1.00 0.00 C ATOM 863 CD GLU A 56 1.388 -9.958 -12.568 1.00 0.00 C ATOM 864 OE1 GLU A 56 0.261 -10.094 -12.121 1.00 0.00 O ATOM 865 OE2 GLU A 56 1.649 -9.927 -13.759 1.00 0.00 O ATOM 0 H GLU A 56 2.685 -9.934 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 56 4.621 -8.425 -10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.566 -8.227 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.641 -7.665 -11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.493 -9.996 -12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.454 -10.568 -10.789 1.00 0.00 H new ATOM 872 N ALA A 57 2.800 -6.691 -8.321 1.00 0.00 N ATOM 873 CA ALA A 57 2.727 -5.344 -7.689 1.00 0.00 C ATOM 874 C ALA A 57 3.920 -5.148 -6.752 1.00 0.00 C ATOM 875 O ALA A 57 4.413 -4.053 -6.590 1.00 0.00 O ATOM 876 CB ALA A 57 1.424 -5.220 -6.895 1.00 0.00 C ATOM 0 H ALA A 57 2.181 -7.396 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 57 2.751 -4.580 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.372 -4.234 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.575 -5.352 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.396 -5.986 -6.120 1.00 0.00 H new ATOM 882 N LYS A 58 4.393 -6.199 -6.140 1.00 0.00 N ATOM 883 CA LYS A 58 5.559 -6.061 -5.220 1.00 0.00 C ATOM 884 C LYS A 58 6.721 -5.404 -5.979 1.00 0.00 C ATOM 885 O LYS A 58 7.072 -4.268 -5.732 1.00 0.00 O ATOM 886 CB LYS A 58 5.975 -7.464 -4.717 1.00 0.00 C ATOM 887 CG LYS A 58 5.450 -7.708 -3.290 1.00 0.00 C ATOM 888 CD LYS A 58 6.406 -7.074 -2.270 1.00 0.00 C ATOM 889 CE LYS A 58 5.926 -7.375 -0.846 1.00 0.00 C ATOM 890 NZ LYS A 58 7.067 -7.228 0.102 1.00 0.00 N ATOM 0 H LYS A 58 4.024 -7.145 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 58 5.294 -5.439 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.584 -8.228 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.061 -7.553 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.453 -7.282 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.361 -8.778 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.414 -7.463 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.455 -5.996 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.120 -6.695 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.522 -8.386 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.743 -7.432 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.822 -7.894 -0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.433 -6.255 0.057 1.00 0.00 H new ATOM 904 N ALA A 59 7.321 -6.115 -6.896 1.00 0.00 N ATOM 905 CA ALA A 59 8.461 -5.536 -7.664 1.00 0.00 C ATOM 906 C ALA A 59 8.093 -4.133 -8.150 1.00 0.00 C ATOM 907 O ALA A 59 8.890 -3.218 -8.090 1.00 0.00 O ATOM 908 CB ALA A 59 8.773 -6.428 -8.866 1.00 0.00 C ATOM 0 H ALA A 59 7.071 -7.072 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 59 9.338 -5.476 -7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.606 -6.004 -9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.039 -7.426 -8.519 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.896 -6.490 -9.510 1.00 0.00 H new ATOM 914 N ALA A 60 6.893 -3.955 -8.629 1.00 0.00 N ATOM 915 CA ALA A 60 6.484 -2.607 -9.114 1.00 0.00 C ATOM 916 C ALA A 60 6.452 -1.638 -7.931 1.00 0.00 C ATOM 917 O ALA A 60 6.725 -0.463 -8.070 1.00 0.00 O ATOM 918 CB ALA A 60 5.092 -2.692 -9.745 1.00 0.00 C ATOM 0 H ALA A 60 6.181 -4.681 -8.705 1.00 0.00 H new ATOM 0 HA ALA A 60 7.196 -2.252 -9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.793 -1.706 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.115 -3.388 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.376 -3.043 -9.001 1.00 0.00 H new ATOM 924 N LEU A 61 6.121 -2.124 -6.767 1.00 0.00 N ATOM 925 CA LEU A 61 6.075 -1.236 -5.573 1.00 0.00 C ATOM 926 C LEU A 61 7.490 -0.749 -5.253 1.00 0.00 C ATOM 927 O LEU A 61 7.815 0.408 -5.428 1.00 0.00 O ATOM 928 CB LEU A 61 5.508 -2.019 -4.376 1.00 0.00 C ATOM 929 CG LEU A 61 4.927 -1.069 -3.305 1.00 0.00 C ATOM 930 CD1 LEU A 61 5.909 0.065 -2.986 1.00 0.00 C ATOM 931 CD2 LEU A 61 3.588 -0.473 -3.779 1.00 0.00 C ATOM 0 H LEU A 61 5.880 -3.099 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 61 5.435 -0.377 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.730 -2.700 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.295 -2.631 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 61 4.759 -1.653 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.476 0.719 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.842 -0.356 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.108 0.639 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.194 0.193 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.745 0.088 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.876 -1.278 -3.961 1.00 0.00 H new ATOM 943 N LEU A 62 8.327 -1.624 -4.766 1.00 0.00 N ATOM 944 CA LEU A 62 9.716 -1.217 -4.409 1.00 0.00 C ATOM 945 C LEU A 62 10.309 -0.342 -5.520 1.00 0.00 C ATOM 946 O LEU A 62 11.246 0.400 -5.305 1.00 0.00 O ATOM 947 CB LEU A 62 10.590 -2.466 -4.224 1.00 0.00 C ATOM 948 CG LEU A 62 9.815 -3.543 -3.457 1.00 0.00 C ATOM 949 CD1 LEU A 62 10.769 -4.674 -3.069 1.00 0.00 C ATOM 950 CD2 LEU A 62 9.205 -2.939 -2.188 1.00 0.00 C ATOM 0 H LEU A 62 8.108 -2.606 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 62 9.689 -0.649 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.898 -2.851 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.499 -2.206 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 62 9.018 -3.933 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.220 -5.442 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.203 -5.109 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.565 -4.278 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.655 -3.709 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.000 -2.547 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.525 -2.131 -2.460 1.00 0.00 H new ATOM 962 N LEU A 63 9.771 -0.428 -6.706 1.00 0.00 N ATOM 963 CA LEU A 63 10.306 0.393 -7.829 1.00 0.00 C ATOM 964 C LEU A 63 9.983 1.873 -7.599 1.00 0.00 C ATOM 965 O LEU A 63 10.862 2.712 -7.600 1.00 0.00 O ATOM 966 CB LEU A 63 9.670 -0.071 -9.147 1.00 0.00 C ATOM 967 CG LEU A 63 10.465 0.485 -10.348 1.00 0.00 C ATOM 968 CD1 LEU A 63 11.665 -0.419 -10.662 1.00 0.00 C ATOM 969 CD2 LEU A 63 9.557 0.547 -11.582 1.00 0.00 C ATOM 0 H LEU A 63 8.984 -1.031 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 63 11.388 0.269 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.652 -1.160 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.635 0.267 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 63 10.822 1.483 -10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.214 -0.013 -11.511 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.322 -0.466 -9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.312 -1.421 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.120 0.940 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.196 -0.454 -11.819 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.708 1.199 -11.377 1.00 0.00 H new ATOM 981 N ARG A 64 8.732 2.208 -7.420 1.00 0.00 N ATOM 982 CA ARG A 64 8.375 3.643 -7.213 1.00 0.00 C ATOM 983 C ARG A 64 8.803 4.116 -5.815 1.00 0.00 C ATOM 984 O ARG A 64 9.341 5.194 -5.663 1.00 0.00 O ATOM 985 CB ARG A 64 6.859 3.840 -7.388 1.00 0.00 C ATOM 986 CG ARG A 64 6.083 2.697 -6.703 1.00 0.00 C ATOM 987 CD ARG A 64 4.689 3.191 -6.301 1.00 0.00 C ATOM 988 NE ARG A 64 4.827 4.234 -5.248 1.00 0.00 N ATOM 989 CZ ARG A 64 3.820 5.013 -4.964 1.00 0.00 C ATOM 990 NH1 ARG A 64 2.697 4.892 -5.616 1.00 0.00 N ATOM 991 NH2 ARG A 64 3.940 5.917 -4.030 1.00 0.00 N ATOM 0 H ARG A 64 7.948 1.556 -7.408 1.00 0.00 H new ATOM 0 HA ARG A 64 8.904 4.238 -7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.559 4.797 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.610 3.871 -8.449 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.997 1.846 -7.379 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.625 2.352 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.170 3.599 -7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.088 2.360 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 64 5.710 4.340 -4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.606 4.188 -6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.910 5.501 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.820 6.013 -3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.154 6.527 -3.807 1.00 0.00 H new ATOM 1005 N GLN A 65 8.570 3.336 -4.790 1.00 0.00 N ATOM 1006 CA GLN A 65 8.967 3.774 -3.421 1.00 0.00 C ATOM 1007 C GLN A 65 10.457 3.498 -3.201 1.00 0.00 C ATOM 1008 O GLN A 65 11.078 2.751 -3.931 1.00 0.00 O ATOM 1009 CB GLN A 65 8.142 3.003 -2.384 1.00 0.00 C ATOM 1010 CG GLN A 65 6.729 3.594 -2.295 1.00 0.00 C ATOM 1011 CD GLN A 65 5.988 2.964 -1.114 1.00 0.00 C ATOM 1012 OE1 GLN A 65 6.591 2.607 -0.123 1.00 0.00 O ATOM 1013 NE2 GLN A 65 4.693 2.813 -1.180 1.00 0.00 N ATOM 0 H GLN A 65 8.124 2.420 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 65 8.782 4.843 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.088 1.950 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.628 3.053 -1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.782 4.675 -2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.186 3.407 -3.221 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.186 3.113 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.188 2.395 -0.399 1.00 0.00 H new ATOM 1022 N GLY A 66 11.034 4.101 -2.194 1.00 0.00 N ATOM 1023 CA GLY A 66 12.484 3.884 -1.915 1.00 0.00 C ATOM 1024 C GLY A 66 13.040 5.090 -1.154 1.00 0.00 C ATOM 1025 O GLY A 66 12.912 6.218 -1.585 1.00 0.00 O ATOM 0 H GLY A 66 10.561 4.736 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.621 2.975 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.029 3.746 -2.849 1.00 0.00 H new ATOM 1029 N GLU A 67 13.659 4.861 -0.026 1.00 0.00 N ATOM 1030 CA GLU A 67 14.226 5.991 0.763 1.00 0.00 C ATOM 1031 C GLU A 67 13.084 6.763 1.437 1.00 0.00 C ATOM 1032 O GLU A 67 12.958 6.778 2.646 1.00 0.00 O ATOM 1033 CB GLU A 67 15.023 6.918 -0.180 1.00 0.00 C ATOM 1034 CG GLU A 67 16.254 7.480 0.538 1.00 0.00 C ATOM 1035 CD GLU A 67 15.810 8.363 1.706 1.00 0.00 C ATOM 1036 OE1 GLU A 67 15.171 7.844 2.605 1.00 0.00 O ATOM 1037 OE2 GLU A 67 16.121 9.542 1.682 1.00 0.00 O ATOM 0 H GLU A 67 13.796 3.937 0.383 1.00 0.00 H new ATOM 0 HA GLU A 67 14.896 5.611 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.332 6.366 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.387 7.736 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.878 6.664 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.861 8.059 -0.158 1.00 0.00 H new ATOM 1044 N ILE A 68 12.250 7.397 0.660 1.00 0.00 N ATOM 1045 CA ILE A 68 11.109 8.163 1.236 1.00 0.00 C ATOM 1046 C ILE A 68 11.639 9.232 2.207 1.00 0.00 C ATOM 1047 O ILE A 68 10.886 10.000 2.767 1.00 0.00 O ATOM 1048 CB ILE A 68 10.181 7.191 1.970 1.00 0.00 C ATOM 1049 CG1 ILE A 68 10.003 5.914 1.135 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.806 7.837 2.189 1.00 0.00 C ATOM 1051 CD1 ILE A 68 8.982 4.995 1.810 1.00 0.00 C ATOM 0 H ILE A 68 12.311 7.417 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 68 10.555 8.662 0.441 1.00 0.00 H new ATOM 0 HB ILE A 68 10.625 6.945 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 68 9.668 6.169 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.958 5.399 1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.154 7.137 2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.920 8.742 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.366 8.092 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.858 4.090 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 68 9.335 4.729 2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.025 5.511 1.890 1.00 0.00 H new ATOM 1063 N GLU A 69 12.937 9.285 2.391 1.00 0.00 N ATOM 1064 CA GLU A 69 13.565 10.295 3.308 1.00 0.00 C ATOM 1065 C GLU A 69 12.652 10.618 4.499 1.00 0.00 C ATOM 1066 O GLU A 69 12.293 11.756 4.725 1.00 0.00 O ATOM 1067 CB GLU A 69 13.876 11.584 2.533 1.00 0.00 C ATOM 1068 CG GLU A 69 12.632 12.068 1.780 1.00 0.00 C ATOM 1069 CD GLU A 69 12.898 13.458 1.199 1.00 0.00 C ATOM 1070 OE1 GLU A 69 13.212 14.350 1.970 1.00 0.00 O ATOM 1071 OE2 GLU A 69 12.783 13.606 -0.007 1.00 0.00 O ATOM 0 H GLU A 69 13.602 8.659 1.936 1.00 0.00 H new ATOM 0 HA GLU A 69 14.489 9.865 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.216 12.357 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.689 11.405 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.382 11.370 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.776 12.101 2.454 1.00 0.00 H new ATOM 1078 N THR A 70 12.281 9.629 5.270 1.00 0.00 N ATOM 1079 CA THR A 70 11.403 9.895 6.446 1.00 0.00 C ATOM 1080 C THR A 70 11.314 8.646 7.322 1.00 0.00 C ATOM 1081 O THR A 70 11.928 7.634 7.049 1.00 0.00 O ATOM 1082 CB THR A 70 9.999 10.274 5.974 1.00 0.00 C ATOM 1083 OG1 THR A 70 9.203 10.626 7.098 1.00 0.00 O ATOM 1084 CG2 THR A 70 9.364 9.087 5.250 1.00 0.00 C ATOM 0 H THR A 70 12.547 8.653 5.137 1.00 0.00 H new ATOM 0 HA THR A 70 11.829 10.717 7.022 1.00 0.00 H new ATOM 0 HB THR A 70 10.061 11.121 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.303 10.871 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.363 9.359 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.975 8.817 4.389 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.300 8.238 5.930 1.00 0.00 H new ATOM 1092 N SER A 71 10.545 8.713 8.371 1.00 0.00 N ATOM 1093 CA SER A 71 10.402 7.536 9.273 1.00 0.00 C ATOM 1094 C SER A 71 11.788 7.057 9.714 1.00 0.00 C ATOM 1095 O SER A 71 11.928 6.017 10.330 1.00 0.00 O ATOM 1096 CB SER A 71 9.686 6.407 8.530 1.00 0.00 C ATOM 1097 OG SER A 71 9.321 5.393 9.457 1.00 0.00 O ATOM 0 H SER A 71 10.007 9.535 8.644 1.00 0.00 H new ATOM 0 HA SER A 71 9.820 7.821 10.150 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.799 6.792 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.336 5.994 7.759 1.00 0.00 H new ATOM 0 HG SER A 71 10.029 5.293 10.128 1.00 0.00 H new ATOM 1103 N LEU A 72 12.814 7.805 9.408 1.00 0.00 N ATOM 1104 CA LEU A 72 14.187 7.388 9.814 1.00 0.00 C ATOM 1105 C LEU A 72 14.345 7.552 11.325 1.00 0.00 C ATOM 1106 O LEU A 72 13.542 8.186 11.982 1.00 0.00 O ATOM 1107 CB LEU A 72 15.223 8.258 9.098 1.00 0.00 C ATOM 1108 CG LEU A 72 14.885 8.345 7.607 1.00 0.00 C ATOM 1109 CD1 LEU A 72 15.943 9.195 6.898 1.00 0.00 C ATOM 1110 CD2 LEU A 72 14.868 6.937 6.997 1.00 0.00 C ATOM 0 H LEU A 72 12.761 8.685 8.895 1.00 0.00 H new ATOM 0 HA LEU A 72 14.341 6.344 9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 72 15.238 9.256 9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 72 16.219 7.837 9.231 1.00 0.00 H new ATOM 0 HG LEU A 72 13.903 8.802 7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.706 9.259 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.954 10.196 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.923 8.735 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 72 14.627 7.003 5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 72 15.848 6.476 7.119 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.117 6.330 7.503 1.00 0.00 H new ATOM 1122 N GLY A 73 15.376 6.979 11.881 1.00 0.00 N ATOM 1123 CA GLY A 73 15.597 7.090 13.350 1.00 0.00 C ATOM 1124 C GLY A 73 16.466 5.920 13.812 1.00 0.00 C ATOM 1125 O GLY A 73 16.681 5.720 14.991 1.00 0.00 O ATOM 0 H GLY A 73 16.078 6.436 11.379 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.083 8.037 13.587 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.642 7.081 13.876 1.00 0.00 H new ATOM 1129 N TYR A 74 16.964 5.145 12.882 1.00 0.00 N ATOM 1130 CA TYR A 74 17.826 3.975 13.244 1.00 0.00 C ATOM 1131 C TYR A 74 19.023 3.912 12.293 1.00 0.00 C ATOM 1132 O TYR A 74 20.097 3.478 12.661 1.00 0.00 O ATOM 1133 CB TYR A 74 17.009 2.687 13.118 1.00 0.00 C ATOM 1134 CG TYR A 74 17.885 1.501 13.441 1.00 0.00 C ATOM 1135 CD1 TYR A 74 18.636 0.882 12.423 1.00 0.00 C ATOM 1136 CD2 TYR A 74 17.952 1.013 14.760 1.00 0.00 C ATOM 1137 CE1 TYR A 74 19.454 -0.224 12.723 1.00 0.00 C ATOM 1138 CE2 TYR A 74 18.769 -0.094 15.061 1.00 0.00 C ATOM 1139 CZ TYR A 74 19.520 -0.713 14.042 1.00 0.00 C ATOM 1140 OH TYR A 74 20.321 -1.796 14.337 1.00 0.00 O ATOM 0 H TYR A 74 16.811 5.272 11.882 1.00 0.00 H new ATOM 0 HA TYR A 74 18.181 4.085 14.269 1.00 0.00 H new ATOM 0 HB2 TYR A 74 16.156 2.717 13.795 1.00 0.00 H new ATOM 0 HB3 TYR A 74 16.611 2.594 12.108 1.00 0.00 H new ATOM 0 HD1 TYR A 74 18.584 1.256 11.411 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.377 1.488 15.541 1.00 0.00 H new ATOM 0 HE1 TYR A 74 20.031 -0.697 11.942 1.00 0.00 H new ATOM 0 HE2 TYR A 74 18.820 -0.468 16.073 1.00 0.00 H new ATOM 0 HH TYR A 74 20.252 -2.003 15.292 1.00 0.00 H new ATOM 1150 N PHE A 75 18.849 4.343 11.074 1.00 0.00 N ATOM 1151 CA PHE A 75 19.980 4.310 10.104 1.00 0.00 C ATOM 1152 C PHE A 75 21.163 5.091 10.678 1.00 0.00 C ATOM 1153 O PHE A 75 22.241 5.099 10.117 1.00 0.00 O ATOM 1154 CB PHE A 75 19.537 4.945 8.784 1.00 0.00 C ATOM 1155 CG PHE A 75 20.635 4.794 7.759 1.00 0.00 C ATOM 1156 CD1 PHE A 75 20.746 3.603 7.017 1.00 0.00 C ATOM 1157 CD2 PHE A 75 21.549 5.844 7.545 1.00 0.00 C ATOM 1158 CE1 PHE A 75 21.770 3.462 6.060 1.00 0.00 C ATOM 1159 CE2 PHE A 75 22.572 5.703 6.588 1.00 0.00 C ATOM 1160 CZ PHE A 75 22.682 4.511 5.846 1.00 0.00 C ATOM 0 H PHE A 75 17.973 4.716 10.708 1.00 0.00 H new ATOM 0 HA PHE A 75 20.279 3.277 9.926 1.00 0.00 H new ATOM 0 HB2 PHE A 75 18.624 4.468 8.427 1.00 0.00 H new ATOM 0 HB3 PHE A 75 19.308 6.000 8.934 1.00 0.00 H new ATOM 0 HD1 PHE A 75 20.046 2.797 7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 75 21.465 6.757 8.115 1.00 0.00 H new ATOM 0 HE1 PHE A 75 21.855 2.548 5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.272 6.509 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 75 23.467 4.402 5.112 1.00 0.00 H new ATOM 1170 N GLU A 76 20.969 5.747 11.790 1.00 0.00 N ATOM 1171 CA GLU A 76 22.080 6.529 12.404 1.00 0.00 C ATOM 1172 C GLU A 76 22.584 7.575 11.406 1.00 0.00 C ATOM 1173 O GLU A 76 22.386 7.456 10.213 1.00 0.00 O ATOM 1174 CB GLU A 76 23.225 5.584 12.782 1.00 0.00 C ATOM 1175 CG GLU A 76 24.179 6.295 13.745 1.00 0.00 C ATOM 1176 CD GLU A 76 25.272 5.321 14.190 1.00 0.00 C ATOM 1177 OE1 GLU A 76 26.196 5.107 13.423 1.00 0.00 O ATOM 1178 OE2 GLU A 76 25.166 4.807 15.292 1.00 0.00 O ATOM 1179 OXT GLU A 76 23.235 8.601 11.884 1.00 0.00 O ATOM 0 H GLU A 76 20.087 5.775 12.301 1.00 0.00 H new ATOM 0 HA GLU A 76 21.716 7.032 13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.827 4.682 13.247 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.762 5.271 11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.625 7.162 13.258 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.630 6.664 14.612 1.00 0.00 H new TER 1186 GLU A 76