USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 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 49 ASN : amide:sc= -0.509! C(o=1.1!,f=-8.7!) USER MOD Set 1.2: A 51 ASN : amide:sc= 1.61 K(o=1.1,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0686 (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= -0.0656 X(o=-0.066,f=-0.021) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -10:sc= 0.387! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 0.729 (180deg=0.528) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.559 K(o=-0.56,f=-0.02) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.751 X(o=-0.75,f=-1.2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 138:sc= -3.78! (180deg=-6.75!) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 52 SER OG : rot 160:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.36) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.497 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.992 -7.121 6.518 1.00 0.00 N ATOM 2 CA MET A 1 8.155 -5.673 6.828 1.00 0.00 C ATOM 3 C MET A 1 6.778 -5.009 6.898 1.00 0.00 C ATOM 4 O MET A 1 5.841 -5.432 6.253 1.00 0.00 O ATOM 5 CB MET A 1 8.987 -5.006 5.731 1.00 0.00 C ATOM 6 CG MET A 1 9.318 -3.570 6.142 1.00 0.00 C ATOM 7 SD MET A 1 10.330 -2.794 4.859 1.00 0.00 S ATOM 8 CE MET A 1 11.938 -3.362 5.462 1.00 0.00 C ATOM 0 H1 MET A 1 8.653 -7.391 5.761 1.00 0.00 H new ATOM 0 H2 MET A 1 8.193 -7.683 7.370 1.00 0.00 H new ATOM 0 H3 MET A 1 7.016 -7.302 6.206 1.00 0.00 H new ATOM 0 HA MET A 1 8.662 -5.562 7.786 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.906 -5.568 5.564 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.436 -5.008 4.790 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.400 -3.002 6.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.851 -3.566 7.093 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.725 -2.991 4.805 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.101 -2.986 6.472 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.958 -4.452 5.473 1.00 0.00 H new ATOM 20 N GLU A 2 6.651 -3.969 7.679 1.00 0.00 N ATOM 21 CA GLU A 2 5.335 -3.270 7.794 1.00 0.00 C ATOM 22 C GLU A 2 5.248 -2.173 6.731 1.00 0.00 C ATOM 23 O GLU A 2 5.059 -1.013 7.037 1.00 0.00 O ATOM 24 CB GLU A 2 5.205 -2.641 9.186 1.00 0.00 C ATOM 25 CG GLU A 2 6.465 -1.828 9.521 1.00 0.00 C ATOM 26 CD GLU A 2 7.568 -2.759 10.033 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.323 -3.457 11.003 1.00 0.00 O ATOM 28 OE2 GLU A 2 8.638 -2.757 9.447 1.00 0.00 O ATOM 0 H GLU A 2 7.402 -3.572 8.243 1.00 0.00 H new ATOM 0 HA GLU A 2 4.529 -3.989 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.327 -1.996 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.057 -3.421 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.810 -1.295 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.233 -1.076 10.275 1.00 0.00 H new ATOM 35 N LEU A 3 5.386 -2.531 5.480 1.00 0.00 N ATOM 36 CA LEU A 3 5.315 -1.513 4.388 1.00 0.00 C ATOM 37 C LEU A 3 3.892 -1.471 3.824 1.00 0.00 C ATOM 38 O LEU A 3 3.593 -2.093 2.824 1.00 0.00 O ATOM 39 CB LEU A 3 6.297 -1.903 3.275 1.00 0.00 C ATOM 40 CG LEU A 3 6.328 -0.825 2.179 1.00 0.00 C ATOM 41 CD1 LEU A 3 6.945 0.479 2.721 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.166 -1.341 1.003 1.00 0.00 C ATOM 0 H LEU A 3 5.545 -3.488 5.166 1.00 0.00 H new ATOM 0 HA LEU A 3 5.577 -0.531 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.295 -2.034 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.004 -2.860 2.843 1.00 0.00 H new ATOM 0 HG LEU A 3 5.310 -0.615 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.959 1.231 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.349 0.843 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.964 0.287 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.196 -0.585 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.180 -1.551 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.719 -2.254 0.610 1.00 0.00 H new ATOM 54 N TRP A 4 3.012 -0.738 4.453 1.00 0.00 N ATOM 55 CA TRP A 4 1.613 -0.657 3.945 1.00 0.00 C ATOM 56 C TRP A 4 1.557 0.341 2.785 1.00 0.00 C ATOM 57 O TRP A 4 2.444 1.153 2.614 1.00 0.00 O ATOM 58 CB TRP A 4 0.685 -0.192 5.068 1.00 0.00 C ATOM 59 CG TRP A 4 0.736 -1.176 6.191 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.787 -1.346 7.025 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.282 -2.128 6.615 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.482 -2.340 7.937 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.220 -2.855 7.730 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.584 -2.433 6.149 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.542 -3.850 8.360 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.353 -3.433 6.781 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.832 -4.139 7.884 1.00 0.00 C ATOM 0 H TRP A 4 3.201 -0.193 5.294 1.00 0.00 H new ATOM 0 HA TRP A 4 1.291 -1.639 3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.987 0.794 5.420 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.336 -0.099 4.697 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.715 -0.795 6.985 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.114 -2.654 8.673 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.991 -1.897 5.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.140 -4.390 9.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.345 -3.658 6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.425 -4.903 8.364 1.00 0.00 H new ATOM 78 N VAL A 5 0.524 0.280 1.980 1.00 0.00 N ATOM 79 CA VAL A 5 0.407 1.217 0.819 1.00 0.00 C ATOM 80 C VAL A 5 -1.024 1.753 0.725 1.00 0.00 C ATOM 81 O VAL A 5 -1.969 1.117 1.149 1.00 0.00 O ATOM 82 CB VAL A 5 0.751 0.466 -0.469 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.730 1.439 -1.648 1.00 0.00 C ATOM 84 CG2 VAL A 5 2.145 -0.152 -0.341 1.00 0.00 C ATOM 0 H VAL A 5 -0.246 -0.381 2.078 1.00 0.00 H new ATOM 0 HA VAL A 5 1.094 2.051 0.958 1.00 0.00 H new ATOM 0 HB VAL A 5 0.018 -0.323 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.975 0.904 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.263 1.879 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.463 2.228 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.391 -0.687 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.879 0.637 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.160 -0.846 0.499 1.00 0.00 H new ATOM 94 N SER A 6 -1.187 2.927 0.169 1.00 0.00 N ATOM 95 CA SER A 6 -2.548 3.532 0.031 1.00 0.00 C ATOM 96 C SER A 6 -3.092 3.266 -1.394 1.00 0.00 C ATOM 97 O SER A 6 -2.315 3.070 -2.306 1.00 0.00 O ATOM 98 CB SER A 6 -2.427 5.039 0.289 1.00 0.00 C ATOM 99 OG SER A 6 -2.457 5.279 1.688 1.00 0.00 O ATOM 0 H SER A 6 -0.427 3.499 -0.199 1.00 0.00 H new ATOM 0 HA SER A 6 -3.240 3.091 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.499 5.419 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.243 5.570 -0.200 1.00 0.00 H new ATOM 0 HG SER A 6 -2.378 6.241 1.857 1.00 0.00 H new ATOM 105 N PRO A 7 -4.408 3.253 -1.556 1.00 0.00 N ATOM 106 CA PRO A 7 -5.025 2.997 -2.878 1.00 0.00 C ATOM 107 C PRO A 7 -4.461 3.924 -3.971 1.00 0.00 C ATOM 108 O PRO A 7 -4.068 3.472 -5.027 1.00 0.00 O ATOM 109 CB PRO A 7 -6.540 3.246 -2.667 1.00 0.00 C ATOM 110 CG PRO A 7 -6.758 3.565 -1.159 1.00 0.00 C ATOM 111 CD PRO A 7 -5.382 3.483 -0.460 1.00 0.00 C ATOM 0 HA PRO A 7 -4.814 1.985 -3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.882 4.075 -3.287 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.117 2.369 -2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.191 4.558 -1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.456 2.856 -0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.158 4.403 0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.357 2.672 0.268 1.00 0.00 H new ATOM 119 N LYS A 8 -4.446 5.211 -3.747 1.00 0.00 N ATOM 120 CA LYS A 8 -3.943 6.135 -4.809 1.00 0.00 C ATOM 121 C LYS A 8 -2.501 5.780 -5.199 1.00 0.00 C ATOM 122 O LYS A 8 -2.027 6.172 -6.247 1.00 0.00 O ATOM 123 CB LYS A 8 -4.031 7.591 -4.328 1.00 0.00 C ATOM 124 CG LYS A 8 -3.282 7.771 -3.001 1.00 0.00 C ATOM 125 CD LYS A 8 -3.808 9.011 -2.270 1.00 0.00 C ATOM 126 CE LYS A 8 -2.936 9.289 -1.044 1.00 0.00 C ATOM 127 NZ LYS A 8 -3.426 10.514 -0.351 1.00 0.00 N ATOM 0 H LYS A 8 -4.756 5.660 -2.885 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.570 6.022 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.608 8.254 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.076 7.875 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.413 6.887 -2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.213 7.874 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.799 9.872 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.843 8.855 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.965 8.438 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.897 9.421 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.833 10.702 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.377 11.324 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.411 10.372 -0.050 1.00 0.00 H new ATOM 141 N GLU A 9 -1.800 5.025 -4.389 1.00 0.00 N ATOM 142 CA GLU A 9 -0.398 4.639 -4.758 1.00 0.00 C ATOM 143 C GLU A 9 -0.442 3.366 -5.610 1.00 0.00 C ATOM 144 O GLU A 9 0.422 3.127 -6.431 1.00 0.00 O ATOM 145 CB GLU A 9 0.444 4.384 -3.494 1.00 0.00 C ATOM 146 CG GLU A 9 0.968 5.707 -2.920 1.00 0.00 C ATOM 147 CD GLU A 9 -0.193 6.524 -2.365 1.00 0.00 C ATOM 148 OE1 GLU A 9 -1.279 5.986 -2.285 1.00 0.00 O ATOM 149 OE2 GLU A 9 0.025 7.677 -2.028 1.00 0.00 O ATOM 0 H GLU A 9 -2.132 4.661 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 9 0.060 5.453 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.159 3.870 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.281 3.728 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.695 5.510 -2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.484 6.272 -3.696 1.00 0.00 H new ATOM 156 N LEU A 10 -1.443 2.550 -5.421 1.00 0.00 N ATOM 157 CA LEU A 10 -1.546 1.294 -6.217 1.00 0.00 C ATOM 158 C LEU A 10 -2.158 1.612 -7.581 1.00 0.00 C ATOM 159 O LEU A 10 -1.997 0.874 -8.534 1.00 0.00 O ATOM 160 CB LEU A 10 -2.448 0.297 -5.480 1.00 0.00 C ATOM 161 CG LEU A 10 -1.859 -0.030 -4.102 1.00 0.00 C ATOM 162 CD1 LEU A 10 -2.920 -0.736 -3.254 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.634 -0.947 -4.248 1.00 0.00 C ATOM 0 H LEU A 10 -2.195 2.699 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.554 0.862 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.448 0.715 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.549 -0.616 -6.067 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.551 0.898 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.505 -0.970 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.785 -0.083 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.226 -1.658 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.227 -1.170 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.930 -1.875 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.125 -0.447 -4.849 1.00 0.00 H new ATOM 175 N ALA A 11 -2.870 2.701 -7.670 1.00 0.00 N ATOM 176 CA ALA A 11 -3.510 3.092 -8.959 1.00 0.00 C ATOM 177 C ALA A 11 -2.453 3.391 -10.036 1.00 0.00 C ATOM 178 O ALA A 11 -2.679 4.204 -10.910 1.00 0.00 O ATOM 179 CB ALA A 11 -4.366 4.340 -8.736 1.00 0.00 C ATOM 0 H ALA A 11 -3.038 3.344 -6.896 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.127 2.262 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.837 4.631 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.136 4.125 -7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.736 5.154 -8.378 1.00 0.00 H new ATOM 185 N ASN A 12 -1.300 2.765 -9.991 1.00 0.00 N ATOM 186 CA ASN A 12 -0.256 3.056 -11.027 1.00 0.00 C ATOM 187 C ASN A 12 0.567 1.801 -11.340 1.00 0.00 C ATOM 188 O ASN A 12 1.346 1.788 -12.273 1.00 0.00 O ATOM 189 CB ASN A 12 0.675 4.156 -10.508 1.00 0.00 C ATOM 190 CG ASN A 12 1.474 4.745 -11.672 1.00 0.00 C ATOM 191 OD1 ASN A 12 2.687 4.669 -11.693 1.00 0.00 O ATOM 192 ND2 ASN A 12 0.841 5.336 -12.648 1.00 0.00 N ATOM 0 H ASN A 12 -1.038 2.072 -9.290 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.752 3.382 -11.941 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.093 4.938 -10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.353 3.749 -9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.364 5.734 -13.428 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.177 5.400 -12.631 1.00 0.00 H new ATOM 199 N LEU A 13 0.407 0.740 -10.593 1.00 0.00 N ATOM 200 CA LEU A 13 1.193 -0.492 -10.896 1.00 0.00 C ATOM 201 C LEU A 13 0.516 -1.210 -12.082 1.00 0.00 C ATOM 202 O LEU A 13 -0.685 -1.127 -12.214 1.00 0.00 O ATOM 203 CB LEU A 13 1.201 -1.409 -9.664 1.00 0.00 C ATOM 204 CG LEU A 13 1.523 -0.595 -8.401 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.841 -1.548 -7.248 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.736 0.309 -8.650 1.00 0.00 C ATOM 0 H LEU A 13 -0.226 0.673 -9.796 1.00 0.00 H new ATOM 0 HA LEU A 13 2.222 -0.238 -11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.231 -1.894 -9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.940 -2.200 -9.794 1.00 0.00 H new ATOM 0 HG LEU A 13 0.660 0.021 -8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.070 -0.971 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.980 -2.189 -7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.700 -2.164 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.955 0.881 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.599 -0.304 -8.909 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.517 0.993 -9.470 1.00 0.00 H new ATOM 218 N PRO A 14 1.279 -1.886 -12.924 1.00 0.00 N ATOM 219 CA PRO A 14 0.693 -2.585 -14.088 1.00 0.00 C ATOM 220 C PRO A 14 -0.350 -3.622 -13.638 1.00 0.00 C ATOM 221 O PRO A 14 -1.525 -3.499 -13.920 1.00 0.00 O ATOM 222 CB PRO A 14 1.893 -3.266 -14.791 1.00 0.00 C ATOM 223 CG PRO A 14 3.154 -3.003 -13.919 1.00 0.00 C ATOM 224 CD PRO A 14 2.750 -2.014 -12.805 1.00 0.00 C ATOM 0 HA PRO A 14 0.167 -1.901 -14.755 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.718 -4.336 -14.899 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.029 -2.863 -15.794 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.524 -3.934 -13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.960 -2.589 -14.525 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.036 -2.388 -11.822 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.242 -1.050 -12.935 1.00 0.00 H new ATOM 232 N GLY A 15 0.081 -4.648 -12.959 1.00 0.00 N ATOM 233 CA GLY A 15 -0.866 -5.712 -12.504 1.00 0.00 C ATOM 234 C GLY A 15 -2.141 -5.086 -11.935 1.00 0.00 C ATOM 235 O GLY A 15 -3.226 -5.604 -12.107 1.00 0.00 O ATOM 0 H GLY A 15 1.055 -4.799 -12.696 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.116 -6.366 -13.339 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.388 -6.332 -11.746 1.00 0.00 H new ATOM 239 N LEU A 16 -2.019 -3.981 -11.253 1.00 0.00 N ATOM 240 CA LEU A 16 -3.224 -3.321 -10.660 1.00 0.00 C ATOM 241 C LEU A 16 -3.739 -2.238 -11.635 1.00 0.00 C ATOM 242 O LEU A 16 -2.953 -1.667 -12.360 1.00 0.00 O ATOM 243 CB LEU A 16 -2.812 -2.672 -9.334 1.00 0.00 C ATOM 244 CG LEU A 16 -1.955 -3.655 -8.529 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.676 -3.063 -7.148 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.702 -4.986 -8.372 1.00 0.00 C ATOM 0 H LEU A 16 -1.135 -3.503 -11.078 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.015 -4.051 -10.487 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.253 -1.756 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.697 -2.393 -8.763 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.015 -3.831 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.067 -3.758 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.143 -2.118 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.619 -2.890 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.089 -5.682 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.643 -4.816 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.905 -5.407 -9.356 1.00 0.00 H new ATOM 258 N PRO A 17 -5.036 -1.966 -11.639 1.00 0.00 N ATOM 259 CA PRO A 17 -5.592 -0.936 -12.541 1.00 0.00 C ATOM 260 C PRO A 17 -4.864 0.401 -12.327 1.00 0.00 C ATOM 261 O PRO A 17 -4.089 0.555 -11.403 1.00 0.00 O ATOM 262 CB PRO A 17 -7.090 -0.835 -12.161 1.00 0.00 C ATOM 263 CG PRO A 17 -7.352 -1.865 -11.022 1.00 0.00 C ATOM 264 CD PRO A 17 -6.036 -2.636 -10.778 1.00 0.00 C ATOM 0 HA PRO A 17 -5.468 -1.188 -13.594 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.335 0.174 -11.830 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.720 -1.049 -13.024 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.672 -1.357 -10.112 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.151 -2.551 -11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.744 -2.596 -9.729 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.141 -3.689 -11.040 1.00 0.00 H new ATOM 272 N LYS A 18 -5.107 1.364 -13.178 1.00 0.00 N ATOM 273 CA LYS A 18 -4.431 2.691 -13.035 1.00 0.00 C ATOM 274 C LYS A 18 -5.329 3.643 -12.241 1.00 0.00 C ATOM 275 O LYS A 18 -5.003 4.798 -12.050 1.00 0.00 O ATOM 276 CB LYS A 18 -4.174 3.279 -14.425 1.00 0.00 C ATOM 277 CG LYS A 18 -3.609 2.193 -15.340 1.00 0.00 C ATOM 278 CD LYS A 18 -3.008 2.839 -16.590 1.00 0.00 C ATOM 279 CE LYS A 18 -2.382 1.759 -17.473 1.00 0.00 C ATOM 280 NZ LYS A 18 -1.522 2.401 -18.508 1.00 0.00 N ATOM 0 H LYS A 18 -5.747 1.289 -13.969 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.485 2.562 -12.508 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.100 3.675 -14.841 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.474 4.112 -14.356 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.847 1.619 -14.813 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.397 1.494 -15.622 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.781 3.373 -17.143 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.254 3.573 -16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.789 1.075 -16.865 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.163 1.166 -17.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.096 1.667 -19.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.100 3.036 -19.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.769 2.948 -18.043 1.00 0.00 H new ATOM 294 N THR A 19 -6.459 3.166 -11.780 1.00 0.00 N ATOM 295 CA THR A 19 -7.396 4.032 -10.994 1.00 0.00 C ATOM 296 C THR A 19 -7.772 3.319 -9.695 1.00 0.00 C ATOM 297 O THR A 19 -8.172 2.172 -9.699 1.00 0.00 O ATOM 298 CB THR A 19 -8.661 4.284 -11.819 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.519 3.156 -11.721 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.282 4.516 -13.282 1.00 0.00 C ATOM 0 H THR A 19 -6.776 2.206 -11.915 1.00 0.00 H new ATOM 0 HA THR A 19 -6.914 4.982 -10.763 1.00 0.00 H new ATOM 0 HB THR A 19 -9.175 5.166 -11.437 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.041 2.418 -11.289 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.184 4.695 -13.867 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.624 5.382 -13.355 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.767 3.636 -13.668 1.00 0.00 H new ATOM 308 N SER A 20 -7.644 3.988 -8.582 1.00 0.00 N ATOM 309 CA SER A 20 -7.993 3.347 -7.284 1.00 0.00 C ATOM 310 C SER A 20 -9.403 2.761 -7.369 1.00 0.00 C ATOM 311 O SER A 20 -9.715 1.775 -6.733 1.00 0.00 O ATOM 312 CB SER A 20 -7.941 4.390 -6.168 1.00 0.00 C ATOM 313 OG SER A 20 -8.792 5.480 -6.503 1.00 0.00 O ATOM 0 H SER A 20 -7.313 4.950 -8.516 1.00 0.00 H new ATOM 0 HA SER A 20 -7.280 2.551 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.255 3.945 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.918 4.741 -6.030 1.00 0.00 H new ATOM 0 HG SER A 20 -8.762 6.150 -5.788 1.00 0.00 H new ATOM 319 N ALA A 21 -10.258 3.357 -8.152 1.00 0.00 N ATOM 320 CA ALA A 21 -11.645 2.827 -8.274 1.00 0.00 C ATOM 321 C ALA A 21 -11.587 1.343 -8.633 1.00 0.00 C ATOM 322 O ALA A 21 -12.400 0.555 -8.192 1.00 0.00 O ATOM 323 CB ALA A 21 -12.392 3.591 -9.370 1.00 0.00 C ATOM 0 H ALA A 21 -10.058 4.186 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.169 2.954 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.406 3.202 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.430 4.650 -9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.872 3.466 -10.320 1.00 0.00 H new ATOM 329 N GLY A 22 -10.628 0.956 -9.426 1.00 0.00 N ATOM 330 CA GLY A 22 -10.511 -0.479 -9.810 1.00 0.00 C ATOM 331 C GLY A 22 -9.826 -1.249 -8.680 1.00 0.00 C ATOM 332 O GLY A 22 -10.145 -2.387 -8.407 1.00 0.00 O ATOM 0 H GLY A 22 -9.919 1.571 -9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.499 -0.897 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.937 -0.575 -10.732 1.00 0.00 H new ATOM 336 N VAL A 23 -8.884 -0.632 -8.019 1.00 0.00 N ATOM 337 CA VAL A 23 -8.180 -1.325 -6.904 1.00 0.00 C ATOM 338 C VAL A 23 -9.159 -1.563 -5.754 1.00 0.00 C ATOM 339 O VAL A 23 -9.383 -2.683 -5.338 1.00 0.00 O ATOM 340 CB VAL A 23 -7.020 -0.455 -6.414 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.181 -1.244 -5.406 1.00 0.00 C ATOM 342 CG2 VAL A 23 -6.144 -0.054 -7.603 1.00 0.00 C ATOM 0 H VAL A 23 -8.572 0.322 -8.203 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.793 -2.281 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.415 0.441 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.355 -0.625 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.804 -1.529 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.786 -2.140 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.318 0.566 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.749 -0.950 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.741 0.508 -8.321 1.00 0.00 H new ATOM 352 N ILE A 24 -9.746 -0.518 -5.236 1.00 0.00 N ATOM 353 CA ILE A 24 -10.711 -0.683 -4.113 1.00 0.00 C ATOM 354 C ILE A 24 -11.806 -1.669 -4.531 1.00 0.00 C ATOM 355 O ILE A 24 -12.147 -2.577 -3.800 1.00 0.00 O ATOM 356 CB ILE A 24 -11.326 0.679 -3.768 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.194 1.675 -3.481 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.218 0.550 -2.527 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.772 2.995 -2.961 1.00 0.00 C ATOM 0 H ILE A 24 -9.598 0.443 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.198 -1.072 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.930 1.030 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.508 1.255 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.618 1.854 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.651 1.521 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.017 -0.165 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.621 0.202 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.960 3.694 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.440 3.420 -3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.328 2.812 -2.042 1.00 0.00 H new ATOM 371 N TYR A 25 -12.358 -1.503 -5.702 1.00 0.00 N ATOM 372 CA TYR A 25 -13.425 -2.438 -6.160 1.00 0.00 C ATOM 373 C TYR A 25 -12.856 -3.856 -6.240 1.00 0.00 C ATOM 374 O TYR A 25 -13.417 -4.795 -5.711 1.00 0.00 O ATOM 375 CB TYR A 25 -13.923 -2.006 -7.540 1.00 0.00 C ATOM 376 CG TYR A 25 -15.131 -2.829 -7.924 1.00 0.00 C ATOM 377 CD1 TYR A 25 -16.400 -2.498 -7.413 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.987 -3.929 -8.792 1.00 0.00 C ATOM 379 CE1 TYR A 25 -17.526 -3.264 -7.771 1.00 0.00 C ATOM 380 CE2 TYR A 25 -16.113 -4.695 -9.149 1.00 0.00 C ATOM 381 CZ TYR A 25 -17.382 -4.363 -8.638 1.00 0.00 C ATOM 382 OH TYR A 25 -18.485 -5.115 -8.989 1.00 0.00 O ATOM 0 H TYR A 25 -12.117 -0.762 -6.360 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.256 -2.419 -5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.180 -0.947 -7.530 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.133 -2.135 -8.280 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.510 -1.656 -6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -14.013 -4.185 -9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -18.500 -3.008 -7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -16.003 -5.538 -9.815 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.211 -5.835 -9.595 1.00 0.00 H new ATOM 392 N VAL A 26 -11.744 -4.013 -6.900 1.00 0.00 N ATOM 393 CA VAL A 26 -11.123 -5.364 -7.022 1.00 0.00 C ATOM 394 C VAL A 26 -10.665 -5.839 -5.642 1.00 0.00 C ATOM 395 O VAL A 26 -10.510 -7.021 -5.404 1.00 0.00 O ATOM 396 CB VAL A 26 -9.922 -5.278 -7.974 1.00 0.00 C ATOM 397 CG1 VAL A 26 -9.132 -6.589 -7.944 1.00 0.00 C ATOM 398 CG2 VAL A 26 -10.420 -5.021 -9.399 1.00 0.00 C ATOM 0 H VAL A 26 -11.234 -3.261 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.849 -6.074 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.274 -4.462 -7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.282 -6.517 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.773 -6.774 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.777 -7.410 -8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.568 -4.960 -10.077 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.072 -5.837 -9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.974 -4.083 -9.427 1.00 0.00 H new ATOM 408 N ALA A 27 -10.450 -4.933 -4.727 1.00 0.00 N ATOM 409 CA ALA A 27 -10.007 -5.346 -3.366 1.00 0.00 C ATOM 410 C ALA A 27 -10.952 -6.426 -2.840 1.00 0.00 C ATOM 411 O ALA A 27 -10.563 -7.291 -2.083 1.00 0.00 O ATOM 412 CB ALA A 27 -10.035 -4.141 -2.425 1.00 0.00 C ATOM 0 H ALA A 27 -10.562 -3.928 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.991 -5.736 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.710 -4.448 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.365 -3.369 -2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.049 -3.746 -2.369 1.00 0.00 H new ATOM 418 N LYS A 28 -12.194 -6.383 -3.240 1.00 0.00 N ATOM 419 CA LYS A 28 -13.163 -7.409 -2.768 1.00 0.00 C ATOM 420 C LYS A 28 -12.835 -8.751 -3.429 1.00 0.00 C ATOM 421 O LYS A 28 -13.068 -9.804 -2.869 1.00 0.00 O ATOM 422 CB LYS A 28 -14.586 -6.981 -3.146 1.00 0.00 C ATOM 423 CG LYS A 28 -15.080 -5.903 -2.175 1.00 0.00 C ATOM 424 CD LYS A 28 -14.062 -4.762 -2.106 1.00 0.00 C ATOM 425 CE LYS A 28 -14.714 -3.527 -1.480 1.00 0.00 C ATOM 426 NZ LYS A 28 -13.683 -2.470 -1.278 1.00 0.00 N ATOM 0 H LYS A 28 -12.578 -5.681 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.095 -7.509 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.601 -6.599 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.254 -7.842 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.047 -5.521 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.226 -6.333 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.198 -5.068 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.698 -4.526 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.509 -3.156 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.174 -3.789 -0.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.150 -1.550 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.117 -2.694 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.061 -2.428 -2.111 1.00 0.00 H new ATOM 440 N LYS A 29 -12.294 -8.720 -4.617 1.00 0.00 N ATOM 441 CA LYS A 29 -11.949 -9.991 -5.313 1.00 0.00 C ATOM 442 C LYS A 29 -10.870 -10.726 -4.514 1.00 0.00 C ATOM 443 O LYS A 29 -10.477 -11.826 -4.848 1.00 0.00 O ATOM 444 CB LYS A 29 -11.418 -9.687 -6.719 1.00 0.00 C ATOM 445 CG LYS A 29 -12.443 -8.855 -7.507 1.00 0.00 C ATOM 446 CD LYS A 29 -13.540 -9.764 -8.075 1.00 0.00 C ATOM 447 CE LYS A 29 -14.461 -8.946 -8.981 1.00 0.00 C ATOM 448 NZ LYS A 29 -15.603 -9.795 -9.423 1.00 0.00 N ATOM 0 H LYS A 29 -12.076 -7.869 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.841 -10.613 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.475 -9.145 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.212 -10.618 -7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.886 -8.101 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.945 -8.324 -8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.093 -10.584 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.114 -10.211 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.830 -8.070 -8.447 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.908 -8.582 -9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.230 -9.240 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.242 -10.617 -9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.135 -10.121 -8.591 1.00 0.00 H new ATOM 462 N GLN A 30 -10.388 -10.122 -3.462 1.00 0.00 N ATOM 463 CA GLN A 30 -9.330 -10.772 -2.632 1.00 0.00 C ATOM 464 C GLN A 30 -9.475 -10.302 -1.185 1.00 0.00 C ATOM 465 O GLN A 30 -9.726 -11.085 -0.289 1.00 0.00 O ATOM 466 CB GLN A 30 -7.950 -10.375 -3.162 1.00 0.00 C ATOM 467 CG GLN A 30 -7.760 -10.933 -4.573 1.00 0.00 C ATOM 468 CD GLN A 30 -6.300 -10.769 -4.997 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.487 -11.645 -4.773 1.00 0.00 O ATOM 470 NE2 GLN A 30 -5.929 -9.674 -5.603 1.00 0.00 N ATOM 0 H GLN A 30 -10.683 -9.201 -3.139 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.436 -11.856 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.853 -9.289 -3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.172 -10.758 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.041 -11.986 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.413 -10.411 -5.272 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.611 -8.939 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.957 -9.553 -5.889 1.00 0.00 H new ATOM 479 N GLY A 31 -9.330 -9.025 -0.950 1.00 0.00 N ATOM 480 CA GLY A 31 -9.469 -8.490 0.438 1.00 0.00 C ATOM 481 C GLY A 31 -8.100 -8.438 1.118 1.00 0.00 C ATOM 482 O GLY A 31 -7.938 -8.887 2.235 1.00 0.00 O ATOM 0 H GLY A 31 -9.120 -8.326 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.908 -7.493 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.146 -9.121 1.014 1.00 0.00 H new ATOM 486 N TRP A 32 -7.113 -7.887 0.462 1.00 0.00 N ATOM 487 CA TRP A 32 -5.764 -7.806 1.091 1.00 0.00 C ATOM 488 C TRP A 32 -5.898 -7.239 2.506 1.00 0.00 C ATOM 489 O TRP A 32 -6.645 -6.310 2.740 1.00 0.00 O ATOM 490 CB TRP A 32 -4.859 -6.882 0.273 1.00 0.00 C ATOM 491 CG TRP A 32 -4.884 -7.280 -1.166 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.563 -8.506 -1.640 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.193 -6.459 -2.327 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.686 -8.501 -3.018 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.065 -7.261 -3.493 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.578 -5.107 -2.484 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.309 -6.741 -4.772 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.822 -4.577 -3.769 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.687 -5.393 -4.910 1.00 0.00 C ATOM 0 H TRP A 32 -7.182 -7.492 -0.476 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.329 -8.805 1.126 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.191 -5.849 0.378 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.839 -6.929 0.654 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.260 -9.351 -1.040 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.517 -9.314 -3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.686 -4.476 -1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.208 -7.370 -5.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.113 -3.543 -3.878 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.874 -4.983 -5.892 1.00 0.00 H new ATOM 510 N GLN A 33 -5.180 -7.782 3.451 1.00 0.00 N ATOM 511 CA GLN A 33 -5.271 -7.257 4.843 1.00 0.00 C ATOM 512 C GLN A 33 -5.103 -5.737 4.810 1.00 0.00 C ATOM 513 O GLN A 33 -4.003 -5.224 4.808 1.00 0.00 O ATOM 514 CB GLN A 33 -4.164 -7.877 5.699 1.00 0.00 C ATOM 515 CG GLN A 33 -4.254 -7.330 7.124 1.00 0.00 C ATOM 516 CD GLN A 33 -3.273 -8.084 8.024 1.00 0.00 C ATOM 517 OE1 GLN A 33 -3.667 -8.942 8.789 1.00 0.00 O ATOM 518 NE2 GLN A 33 -2.000 -7.800 7.963 1.00 0.00 N ATOM 0 H GLN A 33 -4.537 -8.563 3.320 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.240 -7.513 5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.262 -8.963 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.188 -7.648 5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.025 -6.264 7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.270 -7.440 7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.668 -7.080 7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.337 -8.298 8.557 1.00 0.00 H new ATOM 527 N ASN A 34 -6.191 -5.011 4.767 1.00 0.00 N ATOM 528 CA ASN A 34 -6.108 -3.518 4.714 1.00 0.00 C ATOM 529 C ASN A 34 -6.319 -2.927 6.110 1.00 0.00 C ATOM 530 O ASN A 34 -7.316 -3.179 6.759 1.00 0.00 O ATOM 531 CB ASN A 34 -7.197 -2.990 3.770 1.00 0.00 C ATOM 532 CG ASN A 34 -8.482 -3.795 3.973 1.00 0.00 C ATOM 533 OD1 ASN A 34 -8.596 -4.909 3.503 1.00 0.00 O ATOM 534 ND2 ASN A 34 -9.462 -3.272 4.658 1.00 0.00 N ATOM 0 H ASN A 34 -7.138 -5.389 4.766 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.123 -3.226 4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.382 -1.934 3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.865 -3.069 2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.324 -3.799 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.366 -2.336 5.053 1.00 0.00 H new ATOM 541 N ARG A 35 -5.395 -2.124 6.567 1.00 0.00 N ATOM 542 CA ARG A 35 -5.546 -1.490 7.910 1.00 0.00 C ATOM 543 C ARG A 35 -6.348 -0.193 7.735 1.00 0.00 C ATOM 544 O ARG A 35 -6.066 0.607 6.866 1.00 0.00 O ATOM 545 CB ARG A 35 -4.143 -1.183 8.490 1.00 0.00 C ATOM 546 CG ARG A 35 -3.750 -2.239 9.543 1.00 0.00 C ATOM 547 CD ARG A 35 -4.573 -2.055 10.832 1.00 0.00 C ATOM 548 NE ARG A 35 -3.784 -2.554 11.994 1.00 0.00 N ATOM 549 CZ ARG A 35 -4.146 -2.245 13.208 1.00 0.00 C ATOM 550 NH1 ARG A 35 -5.203 -1.504 13.406 1.00 0.00 N ATOM 551 NH2 ARG A 35 -3.453 -2.677 14.226 1.00 0.00 N ATOM 0 H ARG A 35 -4.540 -1.879 6.067 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.067 -2.156 8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.406 -1.170 7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.139 -0.191 8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.913 -3.239 9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.687 -2.156 9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.822 -1.003 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.515 -2.598 10.757 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.961 -3.137 11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.746 -1.167 12.611 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.486 -1.262 14.356 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.628 -3.257 14.072 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.736 -2.435 15.175 1.00 0.00 H new ATOM 565 N THR A 36 -7.352 0.015 8.546 1.00 0.00 N ATOM 566 CA THR A 36 -8.177 1.255 8.414 1.00 0.00 C ATOM 567 C THR A 36 -7.612 2.346 9.328 1.00 0.00 C ATOM 568 O THR A 36 -7.273 2.101 10.469 1.00 0.00 O ATOM 569 CB THR A 36 -9.640 0.940 8.820 1.00 0.00 C ATOM 570 OG1 THR A 36 -9.798 -0.466 8.935 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.632 1.472 7.774 1.00 0.00 C ATOM 0 H THR A 36 -7.637 -0.618 9.293 1.00 0.00 H new ATOM 0 HA THR A 36 -8.152 1.604 7.382 1.00 0.00 H new ATOM 0 HB THR A 36 -9.846 1.428 9.773 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.721 -0.671 9.193 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.650 1.237 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.521 2.553 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.430 1.005 6.810 1.00 0.00 H new ATOM 579 N ARG A 37 -7.538 3.554 8.843 1.00 0.00 N ATOM 580 CA ARG A 37 -7.033 4.668 9.688 1.00 0.00 C ATOM 581 C ARG A 37 -8.240 5.241 10.441 1.00 0.00 C ATOM 582 O ARG A 37 -9.147 4.517 10.801 1.00 0.00 O ATOM 583 CB ARG A 37 -6.380 5.739 8.778 1.00 0.00 C ATOM 584 CG ARG A 37 -5.082 6.268 9.408 1.00 0.00 C ATOM 585 CD ARG A 37 -5.400 7.029 10.697 1.00 0.00 C ATOM 586 NE ARG A 37 -4.128 7.410 11.373 1.00 0.00 N ATOM 587 CZ ARG A 37 -4.136 8.308 12.319 1.00 0.00 C ATOM 588 NH1 ARG A 37 -5.257 8.872 12.673 1.00 0.00 N ATOM 589 NH2 ARG A 37 -3.021 8.642 12.911 1.00 0.00 N ATOM 0 H ARG A 37 -7.807 3.817 7.895 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.279 4.331 10.399 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.167 5.310 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.076 6.563 8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.407 5.439 9.622 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.568 6.924 8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.986 7.920 10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.005 6.409 11.359 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.251 6.969 11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.128 8.611 12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.263 9.574 13.413 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.144 8.201 12.634 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.027 9.344 13.651 1.00 0.00 H new ATOM 603 N ALA A 38 -8.282 6.520 10.670 1.00 0.00 N ATOM 604 CA ALA A 38 -9.457 7.089 11.383 1.00 0.00 C ATOM 605 C ALA A 38 -9.399 8.614 11.382 1.00 0.00 C ATOM 606 O ALA A 38 -9.160 9.240 12.396 1.00 0.00 O ATOM 607 CB ALA A 38 -9.484 6.575 12.824 1.00 0.00 C ATOM 0 H ALA A 38 -7.563 7.191 10.399 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.364 6.775 10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.346 6.994 13.344 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.555 5.487 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.570 6.877 13.335 1.00 0.00 H new ATOM 613 N GLY A 39 -9.627 9.218 10.253 1.00 0.00 N ATOM 614 CA GLY A 39 -9.600 10.700 10.179 1.00 0.00 C ATOM 615 C GLY A 39 -9.386 11.112 8.729 1.00 0.00 C ATOM 616 O GLY A 39 -10.299 11.557 8.063 1.00 0.00 O ATOM 0 H GLY A 39 -9.832 8.745 9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.535 11.114 10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.801 11.095 10.806 1.00 0.00 H new ATOM 620 N VAL A 40 -8.179 10.942 8.246 1.00 0.00 N ATOM 621 CA VAL A 40 -7.836 11.300 6.827 1.00 0.00 C ATOM 622 C VAL A 40 -8.652 12.513 6.372 1.00 0.00 C ATOM 623 O VAL A 40 -8.998 12.648 5.218 1.00 0.00 O ATOM 624 CB VAL A 40 -8.114 10.088 5.919 1.00 0.00 C ATOM 625 CG1 VAL A 40 -9.587 9.663 6.043 1.00 0.00 C ATOM 626 CG2 VAL A 40 -7.782 10.429 4.445 1.00 0.00 C ATOM 0 H VAL A 40 -7.400 10.563 8.784 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.780 11.561 6.763 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.478 9.262 6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.774 8.805 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.802 9.392 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.231 10.490 5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.984 9.562 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.399 11.266 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.729 10.700 4.362 1.00 0.00 H new ATOM 636 N LYS A 41 -8.981 13.384 7.286 1.00 0.00 N ATOM 637 CA LYS A 41 -9.802 14.582 6.939 1.00 0.00 C ATOM 638 C LYS A 41 -11.241 14.117 6.653 1.00 0.00 C ATOM 639 O LYS A 41 -12.180 14.885 6.725 1.00 0.00 O ATOM 640 CB LYS A 41 -9.171 15.330 5.721 1.00 0.00 C ATOM 641 CG LYS A 41 -10.091 15.307 4.489 1.00 0.00 C ATOM 642 CD LYS A 41 -9.389 15.989 3.314 1.00 0.00 C ATOM 643 CE LYS A 41 -10.261 15.875 2.062 1.00 0.00 C ATOM 644 NZ LYS A 41 -9.521 16.418 0.889 1.00 0.00 N ATOM 0 H LYS A 41 -8.714 13.317 8.268 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.823 15.290 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.963 16.363 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.216 14.870 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.342 14.279 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.028 15.817 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.204 17.038 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.419 15.525 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.528 14.833 1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.192 16.424 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.114 16.340 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.287 17.417 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.644 15.876 0.750 1.00 0.00 H new ATOM 658 N GLY A 42 -11.413 12.857 6.334 1.00 0.00 N ATOM 659 CA GLY A 42 -12.778 12.322 6.047 1.00 0.00 C ATOM 660 C GLY A 42 -13.348 11.675 7.311 1.00 0.00 C ATOM 661 O GLY A 42 -14.238 12.209 7.943 1.00 0.00 O ATOM 0 H GLY A 42 -10.660 12.173 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.432 13.126 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.731 11.590 5.240 1.00 0.00 H new ATOM 665 N GLY A 43 -12.842 10.530 7.693 1.00 0.00 N ATOM 666 CA GLY A 43 -13.364 9.865 8.923 1.00 0.00 C ATOM 667 C GLY A 43 -12.907 8.402 8.982 1.00 0.00 C ATOM 668 O GLY A 43 -12.966 7.774 10.020 1.00 0.00 O ATOM 0 H GLY A 43 -12.095 10.031 7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.013 10.397 9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.453 9.912 8.934 1.00 0.00 H new ATOM 672 N LYS A 44 -12.455 7.850 7.888 1.00 0.00 N ATOM 673 CA LYS A 44 -12.005 6.426 7.911 1.00 0.00 C ATOM 674 C LYS A 44 -11.325 6.089 6.577 1.00 0.00 C ATOM 675 O LYS A 44 -11.975 5.825 5.585 1.00 0.00 O ATOM 676 CB LYS A 44 -13.234 5.510 8.144 1.00 0.00 C ATOM 677 CG LYS A 44 -12.911 4.429 9.192 1.00 0.00 C ATOM 678 CD LYS A 44 -13.902 3.266 9.064 1.00 0.00 C ATOM 679 CE LYS A 44 -15.328 3.777 9.279 1.00 0.00 C ATOM 680 NZ LYS A 44 -15.790 4.492 8.055 1.00 0.00 N ATOM 0 H LYS A 44 -12.378 8.318 6.985 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.290 6.269 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.082 6.108 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.527 5.039 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.892 4.067 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.963 4.854 10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.814 2.808 8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.668 2.494 9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.995 2.944 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.360 4.447 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.776 4.230 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.729 5.519 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.188 4.226 7.250 1.00 0.00 H new ATOM 694 N ALA A 45 -10.019 6.097 6.550 1.00 0.00 N ATOM 695 CA ALA A 45 -9.289 5.778 5.282 1.00 0.00 C ATOM 696 C ALA A 45 -9.068 4.263 5.187 1.00 0.00 C ATOM 697 O ALA A 45 -9.615 3.500 5.952 1.00 0.00 O ATOM 698 CB ALA A 45 -7.933 6.502 5.279 1.00 0.00 C ATOM 0 H ALA A 45 -9.423 6.310 7.350 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.878 6.110 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.399 6.271 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.095 7.578 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.342 6.171 6.133 1.00 0.00 H new ATOM 704 N ILE A 46 -8.267 3.824 4.251 1.00 0.00 N ATOM 705 CA ILE A 46 -8.010 2.359 4.108 1.00 0.00 C ATOM 706 C ILE A 46 -6.602 2.143 3.545 1.00 0.00 C ATOM 707 O ILE A 46 -6.231 2.715 2.540 1.00 0.00 O ATOM 708 CB ILE A 46 -9.042 1.745 3.156 1.00 0.00 C ATOM 709 CG1 ILE A 46 -8.880 0.222 3.149 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.833 2.288 1.740 1.00 0.00 C ATOM 711 CD1 ILE A 46 -9.980 -0.407 2.292 1.00 0.00 C ATOM 0 H ILE A 46 -7.779 4.417 3.579 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.091 1.880 5.084 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.045 2.007 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.900 -0.048 2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.933 -0.164 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.570 1.847 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.949 3.372 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.831 2.032 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.863 -1.491 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.955 -0.149 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.906 -0.030 1.272 1.00 0.00 H new ATOM 723 N GLU A 47 -5.819 1.315 4.191 1.00 0.00 N ATOM 724 CA GLU A 47 -4.427 1.041 3.713 1.00 0.00 C ATOM 725 C GLU A 47 -4.359 -0.387 3.165 1.00 0.00 C ATOM 726 O GLU A 47 -5.306 -1.139 3.260 1.00 0.00 O ATOM 727 CB GLU A 47 -3.456 1.178 4.889 1.00 0.00 C ATOM 728 CG GLU A 47 -3.221 2.661 5.189 1.00 0.00 C ATOM 729 CD GLU A 47 -4.544 3.320 5.578 1.00 0.00 C ATOM 730 OE1 GLU A 47 -5.115 2.913 6.577 1.00 0.00 O ATOM 731 OE2 GLU A 47 -4.965 4.221 4.871 1.00 0.00 O ATOM 0 H GLU A 47 -6.087 0.812 5.037 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.157 1.750 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.861 0.678 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.511 0.690 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.498 2.769 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.799 3.157 4.315 1.00 0.00 H new ATOM 738 N TYR A 48 -3.244 -0.765 2.590 1.00 0.00 N ATOM 739 CA TYR A 48 -3.102 -2.148 2.032 1.00 0.00 C ATOM 740 C TYR A 48 -1.746 -2.729 2.440 1.00 0.00 C ATOM 741 O TYR A 48 -0.721 -2.095 2.299 1.00 0.00 O ATOM 742 CB TYR A 48 -3.190 -2.090 0.505 1.00 0.00 C ATOM 743 CG TYR A 48 -4.593 -1.709 0.099 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.655 -2.609 0.310 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.842 -0.453 -0.490 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.964 -2.255 -0.068 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.152 -0.101 -0.867 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.213 -1.002 -0.656 1.00 0.00 C ATOM 749 OH TYR A 48 -8.496 -0.656 -1.026 1.00 0.00 O ATOM 0 H TYR A 48 -2.421 -0.172 2.482 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.900 -2.780 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.477 -1.363 0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.926 -3.057 0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.465 -3.571 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.029 0.239 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.778 -2.946 0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.343 0.861 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.606 0.315 -0.957 1.00 0.00 H new ATOM 759 N ASN A 49 -1.731 -3.935 2.941 1.00 0.00 N ATOM 760 CA ASN A 49 -0.438 -4.553 3.352 1.00 0.00 C ATOM 761 C ASN A 49 0.332 -4.984 2.100 1.00 0.00 C ATOM 762 O ASN A 49 -0.090 -5.858 1.369 1.00 0.00 O ATOM 763 CB ASN A 49 -0.714 -5.775 4.231 1.00 0.00 C ATOM 764 CG ASN A 49 0.601 -6.495 4.535 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.661 -6.028 4.167 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.578 -7.619 5.197 1.00 0.00 N ATOM 0 H ASN A 49 -2.556 -4.517 3.083 1.00 0.00 H new ATOM 0 HA ASN A 49 0.153 -3.831 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.195 -5.467 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.402 -6.452 3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.450 -8.106 5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.312 -8.011 5.506 1.00 0.00 H new ATOM 773 N ALA A 50 1.453 -4.369 1.844 1.00 0.00 N ATOM 774 CA ALA A 50 2.250 -4.728 0.635 1.00 0.00 C ATOM 775 C ALA A 50 2.553 -6.230 0.627 1.00 0.00 C ATOM 776 O ALA A 50 2.688 -6.835 -0.418 1.00 0.00 O ATOM 777 CB ALA A 50 3.564 -3.945 0.645 1.00 0.00 C ATOM 0 H ALA A 50 1.854 -3.630 2.422 1.00 0.00 H new ATOM 0 HA ALA A 50 1.676 -4.478 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.149 -4.205 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.351 -2.876 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.130 -4.195 1.542 1.00 0.00 H new ATOM 783 N ASN A 51 2.668 -6.836 1.776 1.00 0.00 N ATOM 784 CA ASN A 51 2.974 -8.295 1.817 1.00 0.00 C ATOM 785 C ASN A 51 1.780 -9.091 1.286 1.00 0.00 C ATOM 786 O ASN A 51 1.903 -10.244 0.921 1.00 0.00 O ATOM 787 CB ASN A 51 3.264 -8.716 3.259 1.00 0.00 C ATOM 788 CG ASN A 51 4.519 -7.999 3.758 1.00 0.00 C ATOM 789 OD1 ASN A 51 5.622 -8.470 3.558 1.00 0.00 O ATOM 790 ND2 ASN A 51 4.399 -6.870 4.401 1.00 0.00 N ATOM 0 H ASN A 51 2.564 -6.387 2.686 1.00 0.00 H new ATOM 0 HA ASN A 51 3.846 -8.495 1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.415 -8.472 3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.404 -9.796 3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.230 -6.383 4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.474 -6.475 4.569 1.00 0.00 H new ATOM 797 N SER A 52 0.622 -8.488 1.239 1.00 0.00 N ATOM 798 CA SER A 52 -0.581 -9.209 0.729 1.00 0.00 C ATOM 799 C SER A 52 -0.699 -9.004 -0.785 1.00 0.00 C ATOM 800 O SER A 52 -1.369 -9.749 -1.471 1.00 0.00 O ATOM 801 CB SER A 52 -1.826 -8.659 1.421 1.00 0.00 C ATOM 802 OG SER A 52 -1.887 -9.166 2.748 1.00 0.00 O ATOM 0 H SER A 52 0.457 -7.525 1.532 1.00 0.00 H new ATOM 0 HA SER A 52 -0.487 -10.274 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.796 -7.570 1.436 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.720 -8.946 0.868 1.00 0.00 H new ATOM 0 HG SER A 52 -2.470 -8.594 3.290 1.00 0.00 H new ATOM 808 N LEU A 53 -0.054 -7.998 -1.312 1.00 0.00 N ATOM 809 CA LEU A 53 -0.132 -7.749 -2.781 1.00 0.00 C ATOM 810 C LEU A 53 0.573 -8.902 -3.522 1.00 0.00 C ATOM 811 O LEU A 53 1.512 -9.463 -2.992 1.00 0.00 O ATOM 812 CB LEU A 53 0.588 -6.434 -3.105 1.00 0.00 C ATOM 813 CG LEU A 53 -0.114 -5.255 -2.416 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.676 -3.971 -2.695 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.552 -5.104 -2.952 1.00 0.00 C ATOM 0 H LEU A 53 0.523 -7.339 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.175 -7.688 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.626 -6.490 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.603 -6.277 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.158 -5.439 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.184 -3.128 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.688 -4.075 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.718 -3.796 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.039 -4.265 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.523 -4.923 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.112 -6.018 -2.753 1.00 0.00 H new ATOM 827 N PRO A 54 0.133 -9.228 -4.728 1.00 0.00 N ATOM 828 CA PRO A 54 0.774 -10.309 -5.499 1.00 0.00 C ATOM 829 C PRO A 54 2.273 -10.009 -5.652 1.00 0.00 C ATOM 830 O PRO A 54 2.831 -9.201 -4.937 1.00 0.00 O ATOM 831 CB PRO A 54 0.050 -10.311 -6.868 1.00 0.00 C ATOM 832 CG PRO A 54 -1.022 -9.184 -6.830 1.00 0.00 C ATOM 833 CD PRO A 54 -1.008 -8.575 -5.410 1.00 0.00 C ATOM 0 HA PRO A 54 0.697 -11.283 -5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.759 -10.139 -7.677 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.417 -11.278 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.802 -8.421 -7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.008 -9.585 -7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.881 -7.493 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.945 -8.769 -4.887 1.00 0.00 H new ATOM 841 N VAL A 55 2.926 -10.657 -6.578 1.00 0.00 N ATOM 842 CA VAL A 55 4.386 -10.414 -6.777 1.00 0.00 C ATOM 843 C VAL A 55 4.587 -9.308 -7.816 1.00 0.00 C ATOM 844 O VAL A 55 5.487 -8.498 -7.709 1.00 0.00 O ATOM 845 CB VAL A 55 5.044 -11.698 -7.281 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.561 -11.508 -7.337 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.710 -12.849 -6.330 1.00 0.00 C ATOM 0 H VAL A 55 2.512 -11.345 -7.207 1.00 0.00 H new ATOM 0 HA VAL A 55 4.835 -10.111 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 55 4.670 -11.929 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.029 -12.424 -7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.800 -10.688 -8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.936 -11.276 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.179 -13.765 -6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.083 -12.617 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.629 -12.986 -6.290 1.00 0.00 H new ATOM 857 N GLU A 56 3.764 -9.275 -8.828 1.00 0.00 N ATOM 858 CA GLU A 56 3.911 -8.233 -9.883 1.00 0.00 C ATOM 859 C GLU A 56 3.770 -6.835 -9.272 1.00 0.00 C ATOM 860 O GLU A 56 4.443 -5.904 -9.672 1.00 0.00 O ATOM 861 CB GLU A 56 2.831 -8.431 -10.947 1.00 0.00 C ATOM 862 CG GLU A 56 3.087 -9.740 -11.698 1.00 0.00 C ATOM 863 CD GLU A 56 4.279 -9.564 -12.641 1.00 0.00 C ATOM 864 OE1 GLU A 56 4.387 -8.505 -13.235 1.00 0.00 O ATOM 865 OE2 GLU A 56 5.063 -10.492 -12.752 1.00 0.00 O ATOM 0 H GLU A 56 2.993 -9.928 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 56 4.898 -8.325 -10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.846 -8.454 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.834 -7.593 -11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.286 -10.545 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.201 -10.026 -12.265 1.00 0.00 H new ATOM 872 N ALA A 57 2.899 -6.672 -8.313 1.00 0.00 N ATOM 873 CA ALA A 57 2.724 -5.325 -7.699 1.00 0.00 C ATOM 874 C ALA A 57 3.866 -5.055 -6.717 1.00 0.00 C ATOM 875 O ALA A 57 4.262 -3.928 -6.516 1.00 0.00 O ATOM 876 CB ALA A 57 1.383 -5.266 -6.963 1.00 0.00 C ATOM 0 H ALA A 57 2.305 -7.408 -7.930 1.00 0.00 H new ATOM 0 HA ALA A 57 2.738 -4.567 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.257 -4.280 -6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.573 -5.450 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.363 -6.025 -6.181 1.00 0.00 H new ATOM 882 N LYS A 58 4.400 -6.074 -6.107 1.00 0.00 N ATOM 883 CA LYS A 58 5.517 -5.860 -5.143 1.00 0.00 C ATOM 884 C LYS A 58 6.693 -5.194 -5.875 1.00 0.00 C ATOM 885 O LYS A 58 7.190 -4.164 -5.466 1.00 0.00 O ATOM 886 CB LYS A 58 5.956 -7.229 -4.572 1.00 0.00 C ATOM 887 CG LYS A 58 5.412 -7.427 -3.147 1.00 0.00 C ATOM 888 CD LYS A 58 6.319 -6.710 -2.138 1.00 0.00 C ATOM 889 CE LYS A 58 5.849 -7.009 -0.713 1.00 0.00 C ATOM 890 NZ LYS A 58 6.946 -6.697 0.246 1.00 0.00 N ATOM 0 H LYS A 58 4.113 -7.045 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 58 5.192 -5.215 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.596 -8.030 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.044 -7.292 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.397 -7.036 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.361 -8.490 -2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.351 -7.037 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.301 -5.635 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.966 -6.415 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.562 -8.057 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.628 -6.900 1.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.777 -7.282 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.200 -5.691 0.168 1.00 0.00 H new ATOM 904 N ALA A 59 7.145 -5.787 -6.948 1.00 0.00 N ATOM 905 CA ALA A 59 8.292 -5.206 -7.700 1.00 0.00 C ATOM 906 C ALA A 59 7.981 -3.761 -8.096 1.00 0.00 C ATOM 907 O ALA A 59 8.749 -2.858 -7.835 1.00 0.00 O ATOM 908 CB ALA A 59 8.546 -6.036 -8.959 1.00 0.00 C ATOM 0 H ALA A 59 6.767 -6.651 -7.336 1.00 0.00 H new ATOM 0 HA ALA A 59 9.179 -5.219 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.385 -5.612 -9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.778 -7.063 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.656 -6.025 -9.588 1.00 0.00 H new ATOM 914 N ALA A 60 6.867 -3.534 -8.734 1.00 0.00 N ATOM 915 CA ALA A 60 6.521 -2.145 -9.150 1.00 0.00 C ATOM 916 C ALA A 60 6.255 -1.281 -7.914 1.00 0.00 C ATOM 917 O ALA A 60 6.481 -0.086 -7.917 1.00 0.00 O ATOM 918 CB ALA A 60 5.273 -2.176 -10.034 1.00 0.00 C ATOM 0 H ALA A 60 6.183 -4.247 -8.985 1.00 0.00 H new ATOM 0 HA ALA A 60 7.354 -1.719 -9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.018 -1.161 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.468 -2.783 -10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.442 -2.606 -9.475 1.00 0.00 H new ATOM 924 N LEU A 61 5.775 -1.871 -6.856 1.00 0.00 N ATOM 925 CA LEU A 61 5.495 -1.079 -5.625 1.00 0.00 C ATOM 926 C LEU A 61 6.808 -0.532 -5.070 1.00 0.00 C ATOM 927 O LEU A 61 7.031 0.662 -5.044 1.00 0.00 O ATOM 928 CB LEU A 61 4.812 -1.981 -4.581 1.00 0.00 C ATOM 929 CG LEU A 61 4.631 -1.262 -3.218 1.00 0.00 C ATOM 930 CD1 LEU A 61 5.934 -1.272 -2.379 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.150 0.185 -3.434 1.00 0.00 C ATOM 0 H LEU A 61 5.564 -2.867 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 61 4.832 -0.246 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.838 -2.296 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.406 -2.884 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 61 3.875 -1.813 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.762 -0.758 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.233 -2.302 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.725 -0.763 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.028 0.676 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.886 0.728 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.195 0.176 -3.960 1.00 0.00 H new ATOM 943 N LEU A 62 7.675 -1.392 -4.615 1.00 0.00 N ATOM 944 CA LEU A 62 8.962 -0.910 -4.050 1.00 0.00 C ATOM 945 C LEU A 62 9.672 -0.037 -5.087 1.00 0.00 C ATOM 946 O LEU A 62 10.515 0.772 -4.757 1.00 0.00 O ATOM 947 CB LEU A 62 9.842 -2.112 -3.659 1.00 0.00 C ATOM 948 CG LEU A 62 10.460 -2.782 -4.919 1.00 0.00 C ATOM 949 CD1 LEU A 62 11.900 -2.287 -5.138 1.00 0.00 C ATOM 950 CD2 LEU A 62 10.482 -4.308 -4.740 1.00 0.00 C ATOM 0 H LEU A 62 7.548 -2.404 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 62 8.774 -0.316 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.637 -1.783 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.246 -2.841 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 62 9.851 -2.517 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.318 -2.765 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.896 -1.206 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.507 -2.539 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.916 -4.772 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.081 -4.563 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.464 -4.673 -4.601 1.00 0.00 H new ATOM 962 N LEU A 63 9.331 -0.186 -6.340 1.00 0.00 N ATOM 963 CA LEU A 63 9.985 0.647 -7.387 1.00 0.00 C ATOM 964 C LEU A 63 9.589 2.105 -7.162 1.00 0.00 C ATOM 965 O LEU A 63 10.352 3.014 -7.418 1.00 0.00 O ATOM 966 CB LEU A 63 9.521 0.195 -8.779 1.00 0.00 C ATOM 967 CG LEU A 63 10.430 0.806 -9.866 1.00 0.00 C ATOM 968 CD1 LEU A 63 11.686 -0.054 -10.060 1.00 0.00 C ATOM 969 CD2 LEU A 63 9.669 0.875 -11.196 1.00 0.00 C ATOM 0 H LEU A 63 8.631 -0.845 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 63 11.068 0.538 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.545 -0.893 -8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.488 0.501 -8.944 1.00 0.00 H new ATOM 0 HG LEU A 63 10.723 1.807 -9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.316 0.391 -10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.240 -0.106 -9.123 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.395 -1.059 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.313 1.307 -11.962 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.371 -0.129 -11.497 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.782 1.496 -11.076 1.00 0.00 H new ATOM 981 N ARG A 64 8.398 2.332 -6.675 1.00 0.00 N ATOM 982 CA ARG A 64 7.954 3.733 -6.426 1.00 0.00 C ATOM 983 C ARG A 64 8.760 4.329 -5.263 1.00 0.00 C ATOM 984 O ARG A 64 9.113 5.491 -5.276 1.00 0.00 O ATOM 985 CB ARG A 64 6.466 3.749 -6.061 1.00 0.00 C ATOM 986 CG ARG A 64 5.651 2.991 -7.122 1.00 0.00 C ATOM 987 CD ARG A 64 4.186 3.437 -7.069 1.00 0.00 C ATOM 988 NE ARG A 64 4.105 4.910 -7.283 1.00 0.00 N ATOM 989 CZ ARG A 64 2.959 5.468 -7.561 1.00 0.00 C ATOM 990 NH1 ARG A 64 1.881 4.738 -7.647 1.00 0.00 N ATOM 991 NH2 ARG A 64 2.891 6.757 -7.751 1.00 0.00 N ATOM 0 H ARG A 64 7.716 1.611 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 64 8.116 4.323 -7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.319 3.291 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.113 4.778 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.063 3.180 -8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.720 1.917 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.609 2.916 -7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.750 3.175 -6.105 1.00 0.00 H new ATOM 0 HE ARG A 64 4.946 5.482 -7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.934 3.731 -7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.985 5.175 -7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.734 7.328 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.995 7.194 -7.968 1.00 0.00 H new ATOM 1005 N GLN A 65 9.055 3.544 -4.257 1.00 0.00 N ATOM 1006 CA GLN A 65 9.835 4.066 -3.102 1.00 0.00 C ATOM 1007 C GLN A 65 11.168 4.635 -3.599 1.00 0.00 C ATOM 1008 O GLN A 65 11.216 5.682 -4.215 1.00 0.00 O ATOM 1009 CB GLN A 65 10.096 2.917 -2.119 1.00 0.00 C ATOM 1010 CG GLN A 65 8.849 2.675 -1.264 1.00 0.00 C ATOM 1011 CD GLN A 65 8.706 3.800 -0.238 1.00 0.00 C ATOM 1012 OE1 GLN A 65 9.568 3.989 0.599 1.00 0.00 O ATOM 1013 NE2 GLN A 65 7.648 4.563 -0.266 1.00 0.00 N ATOM 0 H GLN A 65 8.787 2.562 -4.189 1.00 0.00 H new ATOM 0 HA GLN A 65 9.275 4.857 -2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.356 2.010 -2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.945 3.158 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.963 2.632 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.924 1.713 -0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.924 4.406 -0.967 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.545 5.317 0.413 1.00 0.00 H new ATOM 1022 N GLY A 66 12.251 3.957 -3.332 1.00 0.00 N ATOM 1023 CA GLY A 66 13.578 4.464 -3.786 1.00 0.00 C ATOM 1024 C GLY A 66 13.964 5.689 -2.955 1.00 0.00 C ATOM 1025 O GLY A 66 14.034 6.790 -3.463 1.00 0.00 O ATOM 0 H GLY A 66 12.275 3.075 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.333 3.685 -3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.538 4.726 -4.843 1.00 0.00 H new ATOM 1029 N GLU A 67 14.210 5.495 -1.683 1.00 0.00 N ATOM 1030 CA GLU A 67 14.592 6.631 -0.787 1.00 0.00 C ATOM 1031 C GLU A 67 13.505 7.710 -0.807 1.00 0.00 C ATOM 1032 O GLU A 67 12.962 8.047 -1.840 1.00 0.00 O ATOM 1033 CB GLU A 67 15.931 7.232 -1.232 1.00 0.00 C ATOM 1034 CG GLU A 67 17.063 6.252 -0.914 1.00 0.00 C ATOM 1035 CD GLU A 67 16.921 5.007 -1.791 1.00 0.00 C ATOM 1036 OE1 GLU A 67 17.278 5.083 -2.955 1.00 0.00 O ATOM 1037 OE2 GLU A 67 16.458 3.998 -1.283 1.00 0.00 O ATOM 0 H GLU A 67 14.162 4.587 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 67 14.696 6.251 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.909 7.444 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 67 16.103 8.180 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.029 6.726 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.032 5.973 0.139 1.00 0.00 H new ATOM 1044 N ILE A 68 13.179 8.253 0.339 1.00 0.00 N ATOM 1045 CA ILE A 68 12.126 9.308 0.416 1.00 0.00 C ATOM 1046 C ILE A 68 12.623 10.423 1.348 1.00 0.00 C ATOM 1047 O ILE A 68 13.273 11.357 0.923 1.00 0.00 O ATOM 1048 CB ILE A 68 10.829 8.680 0.979 1.00 0.00 C ATOM 1049 CG1 ILE A 68 11.186 7.491 1.887 1.00 0.00 C ATOM 1050 CG2 ILE A 68 9.939 8.185 -0.170 1.00 0.00 C ATOM 1051 CD1 ILE A 68 9.936 6.983 2.617 1.00 0.00 C ATOM 0 H ILE A 68 13.603 8.007 1.233 1.00 0.00 H new ATOM 0 HA ILE A 68 11.921 9.723 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 68 10.291 9.436 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 68 11.619 6.687 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 68 11.941 7.793 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.029 7.745 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.678 9.024 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.477 7.434 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 68 10.204 6.142 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 68 9.521 7.784 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 68 9.193 6.662 1.887 1.00 0.00 H new ATOM 1063 N GLU A 69 12.327 10.323 2.613 1.00 0.00 N ATOM 1064 CA GLU A 69 12.788 11.366 3.574 1.00 0.00 C ATOM 1065 C GLU A 69 12.505 10.897 5.004 1.00 0.00 C ATOM 1066 O GLU A 69 12.346 11.692 5.909 1.00 0.00 O ATOM 1067 CB GLU A 69 12.055 12.690 3.314 1.00 0.00 C ATOM 1068 CG GLU A 69 10.531 12.465 3.269 1.00 0.00 C ATOM 1069 CD GLU A 69 10.093 11.997 1.874 1.00 0.00 C ATOM 1070 OE1 GLU A 69 10.808 12.262 0.921 1.00 0.00 O ATOM 1071 OE2 GLU A 69 9.040 11.387 1.784 1.00 0.00 O ATOM 0 H GLU A 69 11.785 9.563 3.025 1.00 0.00 H new ATOM 0 HA GLU A 69 13.858 11.524 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.299 13.407 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.393 13.120 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.246 11.722 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.014 13.389 3.527 1.00 0.00 H new ATOM 1078 N THR A 70 12.440 9.610 5.212 1.00 0.00 N ATOM 1079 CA THR A 70 12.166 9.087 6.579 1.00 0.00 C ATOM 1080 C THR A 70 12.507 7.594 6.626 1.00 0.00 C ATOM 1081 O THR A 70 13.373 7.125 5.914 1.00 0.00 O ATOM 1082 CB THR A 70 10.684 9.292 6.912 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.439 8.884 8.252 1.00 0.00 O ATOM 1084 CG2 THR A 70 9.818 8.467 5.957 1.00 0.00 C ATOM 0 H THR A 70 12.565 8.898 4.493 1.00 0.00 H new ATOM 0 HA THR A 70 12.776 9.620 7.308 1.00 0.00 H new ATOM 0 HB THR A 70 10.433 10.347 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.492 9.016 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.766 8.617 6.199 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.004 8.785 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.067 7.411 6.060 1.00 0.00 H new ATOM 1092 N SER A 71 11.836 6.844 7.457 1.00 0.00 N ATOM 1093 CA SER A 71 12.126 5.385 7.545 1.00 0.00 C ATOM 1094 C SER A 71 13.627 5.175 7.759 1.00 0.00 C ATOM 1095 O SER A 71 14.109 5.177 8.874 1.00 0.00 O ATOM 1096 CB SER A 71 11.693 4.697 6.250 1.00 0.00 C ATOM 1097 OG SER A 71 10.290 4.853 6.082 1.00 0.00 O ATOM 0 H SER A 71 11.100 7.179 8.079 1.00 0.00 H new ATOM 0 HA SER A 71 11.576 4.956 8.383 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.223 5.128 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.952 3.639 6.283 1.00 0.00 H new ATOM 0 HG SER A 71 10.009 4.415 5.252 1.00 0.00 H new ATOM 1103 N LEU A 72 14.368 4.994 6.702 1.00 0.00 N ATOM 1104 CA LEU A 72 15.836 4.785 6.852 1.00 0.00 C ATOM 1105 C LEU A 72 16.515 6.118 7.146 1.00 0.00 C ATOM 1106 O LEU A 72 17.726 6.221 7.149 1.00 0.00 O ATOM 1107 CB LEU A 72 16.409 4.196 5.563 1.00 0.00 C ATOM 1108 CG LEU A 72 15.557 3.009 5.107 1.00 0.00 C ATOM 1109 CD1 LEU A 72 16.262 2.306 3.948 1.00 0.00 C ATOM 1110 CD2 LEU A 72 15.371 2.022 6.269 1.00 0.00 C ATOM 0 H LEU A 72 14.022 4.982 5.742 1.00 0.00 H new ATOM 0 HA LEU A 72 16.017 4.095 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.433 4.958 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.438 3.875 5.726 1.00 0.00 H new ATOM 0 HG LEU A 72 14.579 3.366 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.661 1.459 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.389 3.005 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.239 1.952 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 72 14.764 1.180 5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.345 1.660 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.872 2.525 7.097 1.00 0.00 H new ATOM 1122 N GLY A 73 15.750 7.139 7.406 1.00 0.00 N ATOM 1123 CA GLY A 73 16.363 8.457 7.715 1.00 0.00 C ATOM 1124 C GLY A 73 16.973 8.402 9.115 1.00 0.00 C ATOM 1125 O GLY A 73 17.218 9.417 9.736 1.00 0.00 O ATOM 0 H GLY A 73 14.730 7.118 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.130 8.698 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.611 9.244 7.662 1.00 0.00 H new ATOM 1129 N TYR A 74 17.219 7.218 9.619 1.00 0.00 N ATOM 1130 CA TYR A 74 17.813 7.093 10.982 1.00 0.00 C ATOM 1131 C TYR A 74 19.337 7.149 10.880 1.00 0.00 C ATOM 1132 O TYR A 74 20.044 6.771 11.793 1.00 0.00 O ATOM 1133 CB TYR A 74 17.393 5.757 11.599 1.00 0.00 C ATOM 1134 CG TYR A 74 17.721 5.757 13.072 1.00 0.00 C ATOM 1135 CD1 TYR A 74 16.867 6.407 13.984 1.00 0.00 C ATOM 1136 CD2 TYR A 74 18.881 5.106 13.535 1.00 0.00 C ATOM 1137 CE1 TYR A 74 17.174 6.407 15.359 1.00 0.00 C ATOM 1138 CE2 TYR A 74 19.188 5.106 14.910 1.00 0.00 C ATOM 1139 CZ TYR A 74 18.334 5.757 15.821 1.00 0.00 C ATOM 1140 OH TYR A 74 18.634 5.756 17.169 1.00 0.00 O ATOM 0 H TYR A 74 17.034 6.334 9.144 1.00 0.00 H new ATOM 0 HA TYR A 74 17.460 7.911 11.610 1.00 0.00 H new ATOM 0 HB2 TYR A 74 16.325 5.597 11.454 1.00 0.00 H new ATOM 0 HB3 TYR A 74 17.909 4.936 11.101 1.00 0.00 H new ATOM 0 HD1 TYR A 74 15.977 6.905 13.629 1.00 0.00 H new ATOM 0 HD2 TYR A 74 19.535 4.607 12.836 1.00 0.00 H new ATOM 0 HE1 TYR A 74 16.519 6.906 16.059 1.00 0.00 H new ATOM 0 HE2 TYR A 74 20.078 4.607 15.265 1.00 0.00 H new ATOM 0 HH TYR A 74 19.468 5.263 17.318 1.00 0.00 H new ATOM 1150 N PHE A 75 19.850 7.617 9.776 1.00 0.00 N ATOM 1151 CA PHE A 75 21.330 7.692 9.617 1.00 0.00 C ATOM 1152 C PHE A 75 21.947 6.340 9.978 1.00 0.00 C ATOM 1153 O PHE A 75 23.029 6.266 10.526 1.00 0.00 O ATOM 1154 CB PHE A 75 21.886 8.774 10.546 1.00 0.00 C ATOM 1155 CG PHE A 75 21.186 10.082 10.274 1.00 0.00 C ATOM 1156 CD1 PHE A 75 19.997 10.402 10.959 1.00 0.00 C ATOM 1157 CD2 PHE A 75 21.720 10.985 9.334 1.00 0.00 C ATOM 1158 CE1 PHE A 75 19.344 11.622 10.705 1.00 0.00 C ATOM 1159 CE2 PHE A 75 21.066 12.206 9.079 1.00 0.00 C ATOM 1160 CZ PHE A 75 19.879 12.525 9.765 1.00 0.00 C ATOM 0 H PHE A 75 19.309 7.950 8.978 1.00 0.00 H new ATOM 0 HA PHE A 75 21.576 7.939 8.584 1.00 0.00 H new ATOM 0 HB2 PHE A 75 21.743 8.483 11.587 1.00 0.00 H new ATOM 0 HB3 PHE A 75 22.959 8.885 10.391 1.00 0.00 H new ATOM 0 HD1 PHE A 75 19.587 9.710 11.680 1.00 0.00 H new ATOM 0 HD2 PHE A 75 22.631 10.741 8.809 1.00 0.00 H new ATOM 0 HE1 PHE A 75 18.433 11.866 11.231 1.00 0.00 H new ATOM 0 HE2 PHE A 75 21.475 12.897 8.357 1.00 0.00 H new ATOM 0 HZ PHE A 75 19.378 13.462 9.571 1.00 0.00 H new ATOM 1170 N GLU A 76 21.264 5.268 9.677 1.00 0.00 N ATOM 1171 CA GLU A 76 21.807 3.916 10.003 1.00 0.00 C ATOM 1172 C GLU A 76 23.276 3.832 9.579 1.00 0.00 C ATOM 1173 O GLU A 76 24.063 3.121 10.172 1.00 0.00 O ATOM 1174 CB GLU A 76 21.002 2.851 9.256 1.00 0.00 C ATOM 1175 CG GLU A 76 19.522 2.977 9.622 1.00 0.00 C ATOM 1176 CD GLU A 76 18.724 1.882 8.913 1.00 0.00 C ATOM 1177 OE1 GLU A 76 18.651 1.921 7.696 1.00 0.00 O ATOM 1178 OE2 GLU A 76 18.198 1.021 9.600 1.00 0.00 O ATOM 1179 OXT GLU A 76 23.653 4.553 8.557 1.00 0.00 O ATOM 0 H GLU A 76 20.353 5.270 9.219 1.00 0.00 H new ATOM 0 HA GLU A 76 21.731 3.747 11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.133 2.970 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.368 1.857 9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.395 2.893 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.148 3.959 9.333 1.00 0.00 H new TER 1186 GLU A 76