USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 56 ASN : amide:sc= -0.623 K(o=-5.1,f=-9.1) USER MOD Set 1.2: A 58 ASN : amide:sc= -4.51! C(o=-5.1!,f=-9.1!) USER MOD Set 2.1: A 46 THR OG1 : rot -123:sc= 1.26! USER MOD Set 2.2: A 54 CYS SG : rot -54:sc= -0.266! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.391 (180deg=0.000665!) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.193) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0879) USER MOD Single : A 9 GLN : amide:sc= -2.35! K(o=-2.3!,f=-1.4) USER MOD Single : A 11 ASN : amide:sc= -1.1 K(o=-1.1,f=-7.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -1:sc= 1.03 USER MOD Single : A 17 CYS SG : rot 152:sc= -3.91! USER MOD Single : A 22 GLN : amide:sc= -0.0548 K(o=-0.055,f=-1.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -38:sc= 0.0317 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.66) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00466 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -8.32! C(o=-8.3!,f=-10!) USER MOD Single : A 69 THR OG1 : rot 140:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.913 K(o=-0.91,f=-2) USER MOD Single : A 71 TYR OH : rot -59:sc= 0.956 USER MOD Single : A 72 SER OG : rot 171:sc= -0.752 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -71:sc= 0.818 USER MOD Single : A 78 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.055) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.582 0.483 1.141 1.00 0.00 N ATOM 2 CA MET A 1 13.959 -0.272 -0.087 1.00 0.00 C ATOM 3 C MET A 1 12.727 -0.451 -0.975 1.00 0.00 C ATOM 4 O MET A 1 11.643 -0.011 -0.646 1.00 0.00 O ATOM 5 CB MET A 1 14.509 -1.645 0.306 1.00 0.00 C ATOM 6 CG MET A 1 15.839 -1.471 1.042 1.00 0.00 C ATOM 7 SD MET A 1 15.534 -0.764 2.680 1.00 0.00 S ATOM 8 CE MET A 1 17.234 -0.868 3.292 1.00 0.00 C ATOM 0 H1 MET A 1 14.017 0.034 1.972 1.00 0.00 H new ATOM 0 H2 MET A 1 13.918 1.464 1.062 1.00 0.00 H new ATOM 0 H3 MET A 1 12.547 0.479 1.247 1.00 0.00 H new ATOM 0 HA MET A 1 14.722 0.282 -0.633 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.794 -2.166 0.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.651 -2.260 -0.583 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.343 -2.433 1.137 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.501 -0.820 0.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.279 -0.477 4.308 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.559 -1.908 3.289 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.889 -0.281 2.648 1.00 0.00 H new ATOM 20 N GLU A 2 12.885 -1.092 -2.100 1.00 0.00 N ATOM 21 CA GLU A 2 11.723 -1.297 -3.010 1.00 0.00 C ATOM 22 C GLU A 2 10.861 -2.448 -2.488 1.00 0.00 C ATOM 23 O GLU A 2 11.283 -3.224 -1.654 1.00 0.00 O ATOM 24 CB GLU A 2 12.229 -1.634 -4.415 1.00 0.00 C ATOM 25 CG GLU A 2 13.252 -2.768 -4.331 1.00 0.00 C ATOM 26 CD GLU A 2 13.613 -3.235 -5.742 1.00 0.00 C ATOM 27 OE1 GLU A 2 13.193 -2.586 -6.685 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.304 -4.235 -5.855 1.00 0.00 O ATOM 0 H GLU A 2 13.768 -1.483 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 2 11.126 -0.386 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.395 -1.929 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.683 -0.754 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.146 -2.427 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.844 -3.598 -3.755 1.00 0.00 H new ATOM 35 N TRP A 3 9.652 -2.563 -2.974 1.00 0.00 N ATOM 36 CA TRP A 3 8.752 -3.662 -2.513 1.00 0.00 C ATOM 37 C TRP A 3 7.896 -4.137 -3.687 1.00 0.00 C ATOM 38 O TRP A 3 7.914 -3.556 -4.755 1.00 0.00 O ATOM 39 CB TRP A 3 7.840 -3.141 -1.399 1.00 0.00 C ATOM 40 CG TRP A 3 8.668 -2.494 -0.335 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.234 -1.269 -0.429 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.029 -3.014 0.978 1.00 0.00 C ATOM 43 NE1 TRP A 3 9.921 -1.004 0.743 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.824 -2.049 1.640 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.747 -4.216 1.651 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.322 -2.269 2.926 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.247 -4.441 2.944 1.00 0.00 C ATOM 48 CH2 TRP A 3 10.032 -3.469 3.580 1.00 0.00 C ATOM 0 H TRP A 3 9.248 -1.940 -3.673 1.00 0.00 H new ATOM 0 HA TRP A 3 9.351 -4.491 -2.135 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.126 -2.424 -1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.261 -3.962 -0.975 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.162 -0.607 -1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.436 -0.142 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 3 8.142 -4.971 1.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.927 -1.517 3.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 9.025 -5.368 3.451 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.412 -3.648 4.575 1.00 0.00 H new ATOM 59 N TRP A 4 7.139 -5.190 -3.496 1.00 0.00 N ATOM 60 CA TRP A 4 6.271 -5.716 -4.597 1.00 0.00 C ATOM 61 C TRP A 4 4.892 -6.052 -4.027 1.00 0.00 C ATOM 62 O TRP A 4 4.750 -6.930 -3.200 1.00 0.00 O ATOM 63 CB TRP A 4 6.901 -6.981 -5.182 1.00 0.00 C ATOM 64 CG TRP A 4 8.237 -6.647 -5.765 1.00 0.00 C ATOM 65 CD1 TRP A 4 8.456 -6.296 -7.053 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.537 -6.629 -5.108 1.00 0.00 C ATOM 67 NE1 TRP A 4 9.809 -6.062 -7.228 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.517 -6.254 -6.058 1.00 0.00 C ATOM 69 CE3 TRP A 4 9.958 -6.897 -3.793 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.865 -6.149 -5.715 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.314 -6.793 -3.444 1.00 0.00 C ATOM 72 CH2 TRP A 4 12.266 -6.420 -4.404 1.00 0.00 C ATOM 0 H TRP A 4 7.085 -5.711 -2.621 1.00 0.00 H new ATOM 0 HA TRP A 4 6.174 -4.965 -5.381 1.00 0.00 H new ATOM 0 HB2 TRP A 4 7.010 -7.739 -4.406 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.252 -7.402 -5.950 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.699 -6.212 -7.819 1.00 0.00 H new ATOM 0 HE1 TRP A 4 10.232 -5.782 -8.113 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.233 -7.185 -3.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.594 -5.860 -6.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.626 -7.001 -2.431 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.308 -6.342 -4.130 1.00 0.00 H new ATOM 83 N VAL A 5 3.875 -5.358 -4.458 1.00 0.00 N ATOM 84 CA VAL A 5 2.510 -5.638 -3.932 1.00 0.00 C ATOM 85 C VAL A 5 2.026 -6.996 -4.447 1.00 0.00 C ATOM 86 O VAL A 5 2.182 -7.326 -5.606 1.00 0.00 O ATOM 87 CB VAL A 5 1.545 -4.542 -4.388 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.903 -3.226 -3.696 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.646 -4.359 -5.904 1.00 0.00 C ATOM 0 H VAL A 5 3.930 -4.611 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 5 2.544 -5.657 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 5 0.527 -4.830 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.215 -2.445 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.826 -3.350 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.923 -2.943 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.957 -3.577 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.664 -4.075 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.389 -5.294 -6.401 1.00 0.00 H new ATOM 99 N LYS A 6 1.432 -7.786 -3.589 1.00 0.00 N ATOM 100 CA LYS A 6 0.922 -9.126 -4.013 1.00 0.00 C ATOM 101 C LYS A 6 -0.586 -9.030 -4.248 1.00 0.00 C ATOM 102 O LYS A 6 -1.118 -9.592 -5.185 1.00 0.00 O ATOM 103 CB LYS A 6 1.198 -10.147 -2.907 1.00 0.00 C ATOM 104 CG LYS A 6 0.866 -11.552 -3.414 1.00 0.00 C ATOM 105 CD LYS A 6 1.038 -12.559 -2.275 1.00 0.00 C ATOM 106 CE LYS A 6 0.598 -13.946 -2.749 1.00 0.00 C ATOM 107 NZ LYS A 6 1.561 -14.450 -3.769 1.00 0.00 N ATOM 0 H LYS A 6 1.277 -7.559 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 6 1.422 -9.440 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.244 -10.096 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.599 -9.916 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.157 -11.583 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.519 -11.814 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.079 -12.586 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.446 -12.253 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.553 -14.634 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.405 -13.896 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.397 -15.464 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.426 -13.932 -4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.533 -14.306 -3.429 1.00 0.00 H new ATOM 121 N LYS A 7 -1.278 -8.312 -3.402 1.00 0.00 N ATOM 122 CA LYS A 7 -2.756 -8.160 -3.559 1.00 0.00 C ATOM 123 C LYS A 7 -3.152 -6.737 -3.156 1.00 0.00 C ATOM 124 O LYS A 7 -2.387 -6.026 -2.534 1.00 0.00 O ATOM 125 CB LYS A 7 -3.475 -9.166 -2.653 1.00 0.00 C ATOM 126 CG LYS A 7 -3.426 -10.558 -3.287 1.00 0.00 C ATOM 127 CD LYS A 7 -3.859 -11.607 -2.258 1.00 0.00 C ATOM 128 CE LYS A 7 -5.324 -11.382 -1.872 1.00 0.00 C ATOM 129 NZ LYS A 7 -5.863 -12.616 -1.234 1.00 0.00 N ATOM 0 H LYS A 7 -0.879 -7.820 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.039 -8.345 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.004 -9.187 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.510 -8.860 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.081 -10.596 -4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.417 -10.773 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.732 -12.608 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.226 -11.544 -1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.405 -10.539 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.910 -11.131 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.788 -12.410 -0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.972 -13.359 -1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.205 -12.942 -0.497 1.00 0.00 H new ATOM 143 N VAL A 8 -4.336 -6.315 -3.501 1.00 0.00 N ATOM 144 CA VAL A 8 -4.768 -4.936 -3.132 1.00 0.00 C ATOM 145 C VAL A 8 -6.293 -4.839 -3.192 1.00 0.00 C ATOM 146 O VAL A 8 -6.944 -5.561 -3.922 1.00 0.00 O ATOM 147 CB VAL A 8 -4.149 -3.926 -4.106 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.441 -4.360 -5.543 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.745 -2.533 -3.858 1.00 0.00 C ATOM 0 H VAL A 8 -5.022 -6.862 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.434 -4.713 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.071 -3.888 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.001 -3.643 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.011 -5.346 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.519 -4.401 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.302 -1.819 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.824 -2.566 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.533 -2.223 -2.835 1.00 0.00 H new ATOM 159 N GLN A 9 -6.862 -3.943 -2.425 1.00 0.00 N ATOM 160 CA GLN A 9 -8.349 -3.769 -2.415 1.00 0.00 C ATOM 161 C GLN A 9 -8.679 -2.287 -2.600 1.00 0.00 C ATOM 162 O GLN A 9 -7.884 -1.421 -2.292 1.00 0.00 O ATOM 163 CB GLN A 9 -8.907 -4.248 -1.074 1.00 0.00 C ATOM 164 CG GLN A 9 -8.320 -5.619 -0.737 1.00 0.00 C ATOM 165 CD GLN A 9 -8.689 -6.617 -1.836 1.00 0.00 C ATOM 166 OE1 GLN A 9 -9.836 -6.713 -2.226 1.00 0.00 O ATOM 167 NE2 GLN A 9 -7.759 -7.370 -2.357 1.00 0.00 N ATOM 0 H GLN A 9 -6.355 -3.318 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.794 -4.351 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.661 -3.533 -0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.994 -4.308 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.236 -5.549 -0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.701 -5.963 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.796 -7.290 -2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.995 -8.038 -3.091 1.00 0.00 H new ATOM 176 N ASP A 10 -9.844 -1.988 -3.104 1.00 0.00 N ATOM 177 CA ASP A 10 -10.224 -0.560 -3.312 1.00 0.00 C ATOM 178 C ASP A 10 -10.741 0.029 -1.998 1.00 0.00 C ATOM 179 O ASP A 10 -10.922 -0.671 -1.021 1.00 0.00 O ATOM 180 CB ASP A 10 -11.320 -0.473 -4.376 1.00 0.00 C ATOM 181 CG ASP A 10 -12.499 -1.359 -3.971 1.00 0.00 C ATOM 182 OD1 ASP A 10 -13.175 -1.011 -3.017 1.00 0.00 O ATOM 183 OD2 ASP A 10 -12.705 -2.371 -4.620 1.00 0.00 O ATOM 0 H ASP A 10 -10.550 -2.670 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.351 0.002 -3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.650 0.560 -4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.929 -0.790 -5.343 1.00 0.00 H new ATOM 188 N ASN A 11 -10.978 1.312 -1.967 1.00 0.00 N ATOM 189 CA ASN A 11 -11.482 1.948 -0.717 1.00 0.00 C ATOM 190 C ASN A 11 -12.959 1.596 -0.530 1.00 0.00 C ATOM 191 O ASN A 11 -13.820 2.452 -0.553 1.00 0.00 O ATOM 192 CB ASN A 11 -11.329 3.467 -0.819 1.00 0.00 C ATOM 193 CG ASN A 11 -12.052 3.970 -2.070 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.501 3.186 -2.883 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.184 5.254 -2.260 1.00 0.00 N ATOM 0 H ASN A 11 -10.844 1.947 -2.754 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.908 1.583 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.742 3.945 0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.273 3.735 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.664 5.600 -3.091 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.807 5.912 -1.578 1.00 0.00 H new ATOM 202 N ALA A 12 -13.257 0.340 -0.346 1.00 0.00 N ATOM 203 CA ALA A 12 -14.676 -0.070 -0.161 1.00 0.00 C ATOM 204 C ALA A 12 -15.155 0.358 1.229 1.00 0.00 C ATOM 205 O ALA A 12 -16.335 0.343 1.519 1.00 0.00 O ATOM 206 CB ALA A 12 -14.786 -1.589 -0.295 1.00 0.00 C ATOM 0 H ALA A 12 -12.578 -0.421 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.296 0.408 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.824 -1.892 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.445 -1.893 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.167 -2.067 0.464 1.00 0.00 H new ATOM 212 N SER A 13 -14.251 0.740 2.089 1.00 0.00 N ATOM 213 CA SER A 13 -14.659 1.169 3.458 1.00 0.00 C ATOM 214 C SER A 13 -15.159 2.614 3.410 1.00 0.00 C ATOM 215 O SER A 13 -16.195 2.940 3.954 1.00 0.00 O ATOM 216 CB SER A 13 -13.458 1.077 4.401 1.00 0.00 C ATOM 217 OG SER A 13 -13.912 1.137 5.747 1.00 0.00 O ATOM 0 H SER A 13 -13.249 0.774 1.904 1.00 0.00 H new ATOM 0 HA SER A 13 -15.456 0.519 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.916 0.147 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.762 1.892 4.203 1.00 0.00 H new ATOM 0 HG SER A 13 -13.145 1.077 6.354 1.00 0.00 H new ATOM 223 N ALA A 14 -14.430 3.479 2.757 1.00 0.00 N ATOM 224 CA ALA A 14 -14.852 4.907 2.664 1.00 0.00 C ATOM 225 C ALA A 14 -13.744 5.707 1.971 1.00 0.00 C ATOM 226 O ALA A 14 -13.997 6.511 1.096 1.00 0.00 O ATOM 227 CB ALA A 14 -15.093 5.467 4.074 1.00 0.00 C ATOM 0 H ALA A 14 -13.556 3.257 2.281 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.775 4.984 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.401 6.510 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.876 4.890 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.173 5.399 4.655 1.00 0.00 H new ATOM 233 N SER A 15 -12.519 5.489 2.359 1.00 0.00 N ATOM 234 CA SER A 15 -11.389 6.230 1.730 1.00 0.00 C ATOM 235 C SER A 15 -10.068 5.590 2.159 1.00 0.00 C ATOM 236 O SER A 15 -9.063 6.257 2.301 1.00 0.00 O ATOM 237 CB SER A 15 -11.420 7.689 2.185 1.00 0.00 C ATOM 238 OG SER A 15 -12.490 8.361 1.532 1.00 0.00 O ATOM 0 H SER A 15 -12.250 4.827 3.087 1.00 0.00 H new ATOM 0 HA SER A 15 -11.482 6.188 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.547 7.742 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.473 8.175 1.951 1.00 0.00 H new ATOM 0 HG SER A 15 -12.951 7.737 0.932 1.00 0.00 H new ATOM 244 N LEU A 16 -10.067 4.297 2.368 1.00 0.00 N ATOM 245 CA LEU A 16 -8.818 3.591 2.794 1.00 0.00 C ATOM 246 C LEU A 16 -8.651 2.315 1.968 1.00 0.00 C ATOM 247 O LEU A 16 -9.488 1.435 1.995 1.00 0.00 O ATOM 248 CB LEU A 16 -8.926 3.212 4.277 1.00 0.00 C ATOM 249 CG LEU A 16 -8.901 4.478 5.156 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.539 4.171 6.515 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.455 4.944 5.381 1.00 0.00 C ATOM 0 H LEU A 16 -10.884 3.695 2.261 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.961 4.247 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.848 2.658 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.102 2.554 4.552 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.459 5.265 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.521 5.067 7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.571 3.852 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.980 3.376 7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.454 5.839 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.892 4.155 5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.992 5.170 4.420 1.00 0.00 H new ATOM 263 N CYS A 17 -7.568 2.203 1.240 1.00 0.00 N ATOM 264 CA CYS A 17 -7.333 0.980 0.417 1.00 0.00 C ATOM 265 C CYS A 17 -6.376 0.064 1.176 1.00 0.00 C ATOM 266 O CYS A 17 -5.546 0.524 1.927 1.00 0.00 O ATOM 267 CB CYS A 17 -6.709 1.384 -0.922 1.00 0.00 C ATOM 268 SG CYS A 17 -7.539 2.866 -1.547 1.00 0.00 S ATOM 0 H CYS A 17 -6.835 2.909 1.181 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.274 0.462 0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.643 1.576 -0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.804 0.570 -1.641 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.715 3.544 -2.289 1.00 0.00 H new ATOM 274 N ARG A 18 -6.483 -1.226 0.989 1.00 0.00 N ATOM 275 CA ARG A 18 -5.571 -2.174 1.706 1.00 0.00 C ATOM 276 C ARG A 18 -4.571 -2.753 0.709 1.00 0.00 C ATOM 277 O ARG A 18 -4.906 -3.031 -0.425 1.00 0.00 O ATOM 278 CB ARG A 18 -6.399 -3.306 2.319 1.00 0.00 C ATOM 279 CG ARG A 18 -5.491 -4.220 3.151 1.00 0.00 C ATOM 280 CD ARG A 18 -6.347 -5.080 4.084 1.00 0.00 C ATOM 281 NE ARG A 18 -6.839 -4.242 5.215 1.00 0.00 N ATOM 282 CZ ARG A 18 -7.913 -4.589 5.872 1.00 0.00 C ATOM 283 NH1 ARG A 18 -8.559 -5.674 5.543 1.00 0.00 N ATOM 284 NH2 ARG A 18 -8.340 -3.850 6.860 1.00 0.00 N ATOM 0 H ARG A 18 -7.163 -1.667 0.370 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.036 -1.648 2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.189 -2.893 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.886 -3.881 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.898 -4.857 2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.790 -3.622 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.189 -5.503 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.762 -5.917 4.465 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.335 -3.395 5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.225 -6.252 4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.398 -5.944 6.057 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.835 -3.002 7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.179 -4.120 7.374 1.00 0.00 H new ATOM 298 N VAL A 19 -3.337 -2.928 1.119 1.00 0.00 N ATOM 299 CA VAL A 19 -2.305 -3.479 0.186 1.00 0.00 C ATOM 300 C VAL A 19 -1.412 -4.486 0.910 1.00 0.00 C ATOM 301 O VAL A 19 -0.978 -4.261 2.023 1.00 0.00 O ATOM 302 CB VAL A 19 -1.426 -2.340 -0.337 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.303 -1.246 -0.947 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.607 -1.750 0.815 1.00 0.00 C ATOM 0 H VAL A 19 -3.001 -2.713 2.058 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.817 -3.974 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.753 -2.732 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.672 -0.438 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.882 -1.661 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.981 -0.857 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.018 -0.940 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.281 -1.364 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.026 -2.526 1.246 1.00 0.00 H new ATOM 314 N VAL A 20 -1.104 -5.579 0.263 1.00 0.00 N ATOM 315 CA VAL A 20 -0.203 -6.599 0.877 1.00 0.00 C ATOM 316 C VAL A 20 1.185 -6.429 0.256 1.00 0.00 C ATOM 317 O VAL A 20 1.371 -6.636 -0.926 1.00 0.00 O ATOM 318 CB VAL A 20 -0.727 -8.005 0.580 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.126 -9.035 1.323 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.180 -8.116 1.048 1.00 0.00 C ATOM 0 H VAL A 20 -1.441 -5.811 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.161 -6.465 1.958 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.673 -8.194 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.247 -10.037 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.162 -8.956 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.072 -8.847 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.555 -9.118 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.232 -7.928 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.789 -7.382 0.521 1.00 0.00 H new ATOM 330 N LEU A 21 2.159 -6.030 1.032 1.00 0.00 N ATOM 331 CA LEU A 21 3.530 -5.822 0.469 1.00 0.00 C ATOM 332 C LEU A 21 4.386 -7.068 0.698 1.00 0.00 C ATOM 333 O LEU A 21 4.568 -7.517 1.812 1.00 0.00 O ATOM 334 CB LEU A 21 4.185 -4.627 1.166 1.00 0.00 C ATOM 335 CG LEU A 21 3.184 -3.472 1.259 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.887 -2.236 1.825 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.633 -3.156 -0.136 1.00 0.00 C ATOM 0 H LEU A 21 2.066 -5.839 2.030 1.00 0.00 H new ATOM 0 HA LEU A 21 3.452 -5.633 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.518 -4.913 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.069 -4.311 0.613 1.00 0.00 H new ATOM 0 HG LEU A 21 2.361 -3.755 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.176 -1.412 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.276 -2.461 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.710 -1.953 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.921 -2.334 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.453 -2.872 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.133 -4.037 -0.538 1.00 0.00 H new ATOM 349 N GLN A 22 4.918 -7.625 -0.363 1.00 0.00 N ATOM 350 CA GLN A 22 5.774 -8.844 -0.244 1.00 0.00 C ATOM 351 C GLN A 22 7.241 -8.447 -0.418 1.00 0.00 C ATOM 352 O GLN A 22 7.567 -7.554 -1.176 1.00 0.00 O ATOM 353 CB GLN A 22 5.382 -9.843 -1.335 1.00 0.00 C ATOM 354 CG GLN A 22 6.356 -11.023 -1.329 1.00 0.00 C ATOM 355 CD GLN A 22 5.791 -12.157 -2.186 1.00 0.00 C ATOM 356 OE1 GLN A 22 4.780 -11.994 -2.839 1.00 0.00 O ATOM 357 NE2 GLN A 22 6.405 -13.308 -2.211 1.00 0.00 N ATOM 0 H GLN A 22 4.793 -7.282 -1.316 1.00 0.00 H new ATOM 0 HA GLN A 22 5.633 -9.301 0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.365 -10.198 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.393 -9.355 -2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.326 -10.709 -1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.517 -11.370 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.254 -13.445 -1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.036 -14.071 -2.779 1.00 0.00 H new ATOM 366 N SER A 23 8.131 -9.104 0.283 1.00 0.00 N ATOM 367 CA SER A 23 9.584 -8.767 0.165 1.00 0.00 C ATOM 368 C SER A 23 10.419 -10.047 0.246 1.00 0.00 C ATOM 369 O SER A 23 10.567 -10.638 1.297 1.00 0.00 O ATOM 370 CB SER A 23 9.980 -7.830 1.306 1.00 0.00 C ATOM 371 OG SER A 23 11.395 -7.687 1.326 1.00 0.00 O ATOM 0 H SER A 23 7.914 -9.860 0.933 1.00 0.00 H new ATOM 0 HA SER A 23 9.765 -8.278 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.506 -6.857 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.630 -8.229 2.258 1.00 0.00 H new ATOM 0 HG SER A 23 11.653 -7.086 2.056 1.00 0.00 H new ATOM 377 N GLY A 24 10.973 -10.473 -0.857 1.00 0.00 N ATOM 378 CA GLY A 24 11.805 -11.711 -0.847 1.00 0.00 C ATOM 379 C GLY A 24 10.905 -12.937 -0.688 1.00 0.00 C ATOM 380 O GLY A 24 10.948 -13.858 -1.478 1.00 0.00 O ATOM 0 H GLY A 24 10.885 -10.017 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.375 -11.785 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.526 -11.669 -0.031 1.00 0.00 H new ATOM 384 N ALA A 25 10.091 -12.956 0.330 1.00 0.00 N ATOM 385 CA ALA A 25 9.189 -14.123 0.542 1.00 0.00 C ATOM 386 C ALA A 25 8.197 -13.803 1.662 1.00 0.00 C ATOM 387 O ALA A 25 7.075 -14.269 1.662 1.00 0.00 O ATOM 388 CB ALA A 25 10.021 -15.346 0.932 1.00 0.00 C ATOM 0 H ALA A 25 10.011 -12.214 1.025 1.00 0.00 H new ATOM 0 HA ALA A 25 8.644 -14.333 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.362 -16.200 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.729 -15.574 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.566 -15.137 1.852 1.00 0.00 H new ATOM 394 N LEU A 26 8.601 -13.008 2.615 1.00 0.00 N ATOM 395 CA LEU A 26 7.677 -12.658 3.730 1.00 0.00 C ATOM 396 C LEU A 26 6.528 -11.811 3.181 1.00 0.00 C ATOM 397 O LEU A 26 6.544 -11.398 2.038 1.00 0.00 O ATOM 398 CB LEU A 26 8.440 -11.862 4.796 1.00 0.00 C ATOM 399 CG LEU A 26 9.285 -12.814 5.649 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.171 -13.672 4.742 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.165 -11.996 6.598 1.00 0.00 C ATOM 0 H LEU A 26 9.528 -12.587 2.669 1.00 0.00 H new ATOM 0 HA LEU A 26 7.279 -13.568 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.081 -11.120 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.738 -11.318 5.428 1.00 0.00 H new ATOM 0 HG LEU A 26 8.628 -13.464 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.770 -14.348 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.544 -14.253 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.830 -13.027 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.768 -12.670 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.821 -11.347 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.534 -11.388 7.246 1.00 0.00 H new ATOM 413 N GLU A 27 5.530 -11.547 3.984 1.00 0.00 N ATOM 414 CA GLU A 27 4.376 -10.724 3.510 1.00 0.00 C ATOM 415 C GLU A 27 3.910 -9.805 4.639 1.00 0.00 C ATOM 416 O GLU A 27 4.092 -10.096 5.805 1.00 0.00 O ATOM 417 CB GLU A 27 3.226 -11.647 3.096 1.00 0.00 C ATOM 418 CG GLU A 27 3.777 -12.801 2.255 1.00 0.00 C ATOM 419 CD GLU A 27 2.616 -13.564 1.614 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.528 -13.521 2.164 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.835 -14.179 0.583 1.00 0.00 O ATOM 0 H GLU A 27 5.464 -11.867 4.950 1.00 0.00 H new ATOM 0 HA GLU A 27 4.685 -10.123 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.721 -12.036 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.484 -11.088 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.444 -12.417 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.366 -13.472 2.880 1.00 0.00 H new ATOM 428 N MET A 28 3.312 -8.692 4.302 1.00 0.00 N ATOM 429 CA MET A 28 2.835 -7.744 5.352 1.00 0.00 C ATOM 430 C MET A 28 1.562 -7.048 4.868 1.00 0.00 C ATOM 431 O MET A 28 1.379 -6.825 3.690 1.00 0.00 O ATOM 432 CB MET A 28 3.918 -6.695 5.616 1.00 0.00 C ATOM 433 CG MET A 28 5.246 -7.394 5.916 1.00 0.00 C ATOM 434 SD MET A 28 6.448 -6.176 6.506 1.00 0.00 S ATOM 435 CE MET A 28 7.937 -7.151 6.179 1.00 0.00 C ATOM 0 H MET A 28 3.133 -8.398 3.342 1.00 0.00 H new ATOM 0 HA MET A 28 2.624 -8.292 6.270 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.026 -6.043 4.749 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.630 -6.063 6.456 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.099 -8.170 6.667 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.621 -7.886 5.019 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.818 -6.580 6.474 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.897 -8.079 6.750 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.994 -7.382 5.115 1.00 0.00 H new ATOM 445 N ILE A 29 0.685 -6.696 5.778 1.00 0.00 N ATOM 446 CA ILE A 29 -0.585 -6.000 5.396 1.00 0.00 C ATOM 447 C ILE A 29 -0.525 -4.567 5.917 1.00 0.00 C ATOM 448 O ILE A 29 -0.014 -4.314 6.990 1.00 0.00 O ATOM 449 CB ILE A 29 -1.776 -6.728 6.031 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.946 -8.096 5.369 1.00 0.00 C ATOM 451 CG2 ILE A 29 -3.053 -5.908 5.828 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.934 -8.935 6.181 1.00 0.00 C ATOM 0 H ILE A 29 0.796 -6.863 6.778 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.704 -6.000 4.312 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.592 -6.854 7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.308 -7.976 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.984 -8.605 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.896 -6.430 6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.936 -4.931 6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.237 -5.779 4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.056 -9.910 5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.553 -9.066 7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.898 -8.427 6.218 1.00 0.00 H new ATOM 464 N ALA A 30 -1.025 -3.617 5.169 1.00 0.00 N ATOM 465 CA ALA A 30 -0.970 -2.201 5.640 1.00 0.00 C ATOM 466 C ALA A 30 -2.189 -1.425 5.145 1.00 0.00 C ATOM 467 O ALA A 30 -2.655 -1.614 4.039 1.00 0.00 O ATOM 468 CB ALA A 30 0.305 -1.549 5.097 1.00 0.00 C ATOM 0 H ALA A 30 -1.465 -3.759 4.260 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.967 -2.185 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.356 -0.514 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.176 -2.093 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.291 -1.575 4.007 1.00 0.00 H new ATOM 474 N GLU A 31 -2.700 -0.537 5.959 1.00 0.00 N ATOM 475 CA GLU A 31 -3.879 0.276 5.542 1.00 0.00 C ATOM 476 C GLU A 31 -3.375 1.499 4.772 1.00 0.00 C ATOM 477 O GLU A 31 -2.545 2.246 5.251 1.00 0.00 O ATOM 478 CB GLU A 31 -4.660 0.722 6.782 1.00 0.00 C ATOM 479 CG GLU A 31 -5.547 -0.426 7.278 1.00 0.00 C ATOM 480 CD GLU A 31 -4.699 -1.683 7.480 1.00 0.00 C ATOM 481 OE1 GLU A 31 -4.305 -2.274 6.488 1.00 0.00 O ATOM 482 OE2 GLU A 31 -4.457 -2.034 8.623 1.00 0.00 O ATOM 0 H GLU A 31 -2.350 -0.340 6.897 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.540 -0.315 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.969 1.026 7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.273 1.591 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.030 -0.147 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.340 -0.623 6.557 1.00 0.00 H new ATOM 489 N ILE A 32 -3.853 1.686 3.571 1.00 0.00 N ATOM 490 CA ILE A 32 -3.397 2.833 2.719 1.00 0.00 C ATOM 491 C ILE A 32 -4.545 3.834 2.527 1.00 0.00 C ATOM 492 O ILE A 32 -5.704 3.472 2.475 1.00 0.00 O ATOM 493 CB ILE A 32 -2.941 2.264 1.355 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.466 1.835 1.428 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.093 3.309 0.242 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.216 0.962 2.662 1.00 0.00 C ATOM 0 H ILE A 32 -4.552 1.085 3.134 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.570 3.358 3.198 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.572 1.405 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.197 1.284 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.827 2.717 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.765 2.882 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.138 3.607 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.484 4.182 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.166 0.670 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.464 1.525 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.840 0.070 2.609 1.00 0.00 H new ATOM 508 N GLU A 33 -4.206 5.095 2.408 1.00 0.00 N ATOM 509 CA GLU A 33 -5.235 6.161 2.200 1.00 0.00 C ATOM 510 C GLU A 33 -5.007 6.807 0.830 1.00 0.00 C ATOM 511 O GLU A 33 -4.105 7.602 0.654 1.00 0.00 O ATOM 512 CB GLU A 33 -5.078 7.224 3.292 1.00 0.00 C ATOM 513 CG GLU A 33 -6.322 8.115 3.322 1.00 0.00 C ATOM 514 CD GLU A 33 -6.063 9.321 4.226 1.00 0.00 C ATOM 515 OE1 GLU A 33 -4.959 9.839 4.190 1.00 0.00 O ATOM 516 OE2 GLU A 33 -6.974 9.708 4.941 1.00 0.00 O ATOM 0 H GLU A 33 -3.245 5.435 2.447 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.236 5.731 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.937 6.746 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.190 7.827 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.568 8.449 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.179 7.550 3.688 1.00 0.00 H new ATOM 523 N ALA A 34 -5.811 6.472 -0.148 1.00 0.00 N ATOM 524 CA ALA A 34 -5.629 7.069 -1.506 1.00 0.00 C ATOM 525 C ALA A 34 -6.990 7.257 -2.176 1.00 0.00 C ATOM 526 O ALA A 34 -8.025 7.090 -1.563 1.00 0.00 O ATOM 527 CB ALA A 34 -4.771 6.134 -2.363 1.00 0.00 C ATOM 0 H ALA A 34 -6.584 5.812 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.136 8.036 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.638 6.569 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.797 6.000 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.266 5.167 -2.454 1.00 0.00 H new ATOM 533 N CYS A 35 -6.991 7.602 -3.435 1.00 0.00 N ATOM 534 CA CYS A 35 -8.277 7.804 -4.165 1.00 0.00 C ATOM 535 C CYS A 35 -8.080 7.418 -5.632 1.00 0.00 C ATOM 536 O CYS A 35 -9.027 7.256 -6.375 1.00 0.00 O ATOM 537 CB CYS A 35 -8.690 9.273 -4.074 1.00 0.00 C ATOM 538 SG CYS A 35 -10.415 9.450 -4.591 1.00 0.00 S ATOM 0 H CYS A 35 -6.151 7.754 -3.993 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.056 7.184 -3.721 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.567 9.634 -3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.045 9.883 -4.707 1.00 0.00 H new ATOM 0 HG CYS A 35 -10.655 8.647 -5.585 1.00 0.00 H new ATOM 544 N ARG A 36 -6.854 7.267 -6.052 1.00 0.00 N ATOM 545 CA ARG A 36 -6.591 6.886 -7.467 1.00 0.00 C ATOM 546 C ARG A 36 -6.959 5.416 -7.667 1.00 0.00 C ATOM 547 O ARG A 36 -7.422 5.020 -8.718 1.00 0.00 O ATOM 548 CB ARG A 36 -5.108 7.090 -7.785 1.00 0.00 C ATOM 549 CG ARG A 36 -4.747 8.568 -7.615 1.00 0.00 C ATOM 550 CD ARG A 36 -3.253 8.762 -7.875 1.00 0.00 C ATOM 551 NE ARG A 36 -2.874 10.169 -7.562 1.00 0.00 N ATOM 552 CZ ARG A 36 -3.199 11.130 -8.383 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.857 10.859 -9.478 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.866 12.363 -8.111 1.00 0.00 N ATOM 0 H ARG A 36 -6.022 7.391 -5.475 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.190 7.508 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.496 6.477 -7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.896 6.768 -8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.329 9.177 -8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.998 8.901 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.673 8.073 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.021 8.534 -8.915 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.361 10.381 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.117 9.896 -9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.111 11.610 -10.120 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.351 12.576 -7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.120 13.113 -8.753 1.00 0.00 H new ATOM 568 N LEU A 37 -6.762 4.605 -6.659 1.00 0.00 N ATOM 569 CA LEU A 37 -7.101 3.158 -6.775 1.00 0.00 C ATOM 570 C LEU A 37 -6.604 2.615 -8.119 1.00 0.00 C ATOM 571 O LEU A 37 -7.128 1.652 -8.644 1.00 0.00 O ATOM 572 CB LEU A 37 -8.618 2.993 -6.674 1.00 0.00 C ATOM 573 CG LEU A 37 -9.161 3.922 -5.585 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.652 3.651 -5.378 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.413 3.669 -4.273 1.00 0.00 C ATOM 0 H LEU A 37 -6.379 4.886 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.619 2.601 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.084 3.226 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.867 1.958 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.017 4.958 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.038 4.313 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.188 3.833 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.795 2.614 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.801 4.331 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.554 2.632 -3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.350 3.863 -4.417 1.00 0.00 H new ATOM 587 N ARG A 38 -5.598 3.231 -8.679 1.00 0.00 N ATOM 588 CA ARG A 38 -5.060 2.763 -9.993 1.00 0.00 C ATOM 589 C ARG A 38 -3.934 1.750 -9.752 1.00 0.00 C ATOM 590 O ARG A 38 -3.336 1.240 -10.679 1.00 0.00 O ATOM 591 CB ARG A 38 -4.516 3.971 -10.772 1.00 0.00 C ATOM 592 CG ARG A 38 -4.445 3.644 -12.267 1.00 0.00 C ATOM 593 CD ARG A 38 -3.674 4.747 -12.994 1.00 0.00 C ATOM 594 NE ARG A 38 -3.782 4.541 -14.465 1.00 0.00 N ATOM 595 CZ ARG A 38 -3.510 5.521 -15.283 1.00 0.00 C ATOM 596 NH1 ARG A 38 -3.143 6.681 -14.811 1.00 0.00 N ATOM 597 NH2 ARG A 38 -3.604 5.341 -16.572 1.00 0.00 N ATOM 0 H ARG A 38 -5.122 4.042 -8.283 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.853 2.286 -10.569 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.159 4.837 -10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.525 4.236 -10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.954 2.683 -12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.450 3.556 -12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.073 5.724 -12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.627 4.735 -12.690 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.069 3.634 -14.833 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.069 6.821 -13.803 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.930 7.447 -15.450 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.890 4.434 -16.941 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.391 6.107 -17.211 1.00 0.00 H new ATOM 611 N LEU A 39 -3.640 1.456 -8.517 1.00 0.00 N ATOM 612 CA LEU A 39 -2.555 0.480 -8.223 1.00 0.00 C ATOM 613 C LEU A 39 -2.959 -0.900 -8.748 1.00 0.00 C ATOM 614 O LEU A 39 -4.103 -1.137 -9.082 1.00 0.00 O ATOM 615 CB LEU A 39 -2.325 0.410 -6.708 1.00 0.00 C ATOM 616 CG LEU A 39 -1.501 1.618 -6.254 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.288 2.909 -6.506 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.197 1.489 -4.759 1.00 0.00 C ATOM 0 H LEU A 39 -4.104 1.849 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.634 0.799 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.282 0.393 -6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.806 -0.513 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.569 1.652 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.697 3.765 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.505 3.001 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.223 2.880 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.610 2.347 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.132 1.454 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.632 0.574 -4.580 1.00 0.00 H new ATOM 630 N ARG A 40 -2.028 -1.812 -8.825 1.00 0.00 N ATOM 631 CA ARG A 40 -2.354 -3.179 -9.330 1.00 0.00 C ATOM 632 C ARG A 40 -1.407 -4.196 -8.686 1.00 0.00 C ATOM 633 O ARG A 40 -0.389 -3.842 -8.124 1.00 0.00 O ATOM 634 CB ARG A 40 -2.184 -3.210 -10.852 1.00 0.00 C ATOM 635 CG ARG A 40 -2.873 -4.450 -11.426 1.00 0.00 C ATOM 636 CD ARG A 40 -2.831 -4.396 -12.954 1.00 0.00 C ATOM 637 NE ARG A 40 -3.546 -5.577 -13.513 1.00 0.00 N ATOM 638 CZ ARG A 40 -3.700 -5.696 -14.804 1.00 0.00 C ATOM 639 NH1 ARG A 40 -3.227 -4.780 -15.604 1.00 0.00 N ATOM 640 NH2 ARG A 40 -4.326 -6.731 -15.294 1.00 0.00 N ATOM 0 H ARG A 40 -1.053 -1.670 -8.560 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.383 -3.430 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.610 -2.309 -11.293 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.125 -3.220 -11.109 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.377 -5.353 -11.070 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.906 -4.497 -11.081 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.295 -3.476 -13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.797 -4.386 -13.300 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.915 -6.293 -12.887 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.737 -3.972 -15.221 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.347 -4.872 -16.613 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.695 -7.447 -14.668 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.446 -6.824 -16.303 1.00 0.00 H new ATOM 654 N GLU A 41 -1.734 -5.456 -8.764 1.00 0.00 N ATOM 655 CA GLU A 41 -0.854 -6.493 -8.155 1.00 0.00 C ATOM 656 C GLU A 41 0.451 -6.588 -8.949 1.00 0.00 C ATOM 657 O GLU A 41 0.460 -6.494 -10.161 1.00 0.00 O ATOM 658 CB GLU A 41 -1.568 -7.846 -8.186 1.00 0.00 C ATOM 659 CG GLU A 41 -3.002 -7.680 -7.680 1.00 0.00 C ATOM 660 CD GLU A 41 -3.692 -9.044 -7.640 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.522 -9.800 -8.582 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.379 -9.310 -6.668 1.00 0.00 O ATOM 0 H GLU A 41 -2.572 -5.813 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.631 -6.220 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.573 -8.243 -9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.033 -8.565 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.998 -7.234 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.552 -7.002 -8.332 1.00 0.00 H new ATOM 669 N GLY A 42 1.553 -6.777 -8.275 1.00 0.00 N ATOM 670 CA GLY A 42 2.859 -6.883 -8.989 1.00 0.00 C ATOM 671 C GLY A 42 3.415 -5.484 -9.263 1.00 0.00 C ATOM 672 O GLY A 42 4.312 -5.310 -10.064 1.00 0.00 O ATOM 0 H GLY A 42 1.606 -6.863 -7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.567 -7.454 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.728 -7.423 -9.927 1.00 0.00 H new ATOM 676 N ASP A 43 2.892 -4.483 -8.607 1.00 0.00 N ATOM 677 CA ASP A 43 3.399 -3.099 -8.838 1.00 0.00 C ATOM 678 C ASP A 43 4.712 -2.902 -8.077 1.00 0.00 C ATOM 679 O ASP A 43 4.890 -3.405 -6.983 1.00 0.00 O ATOM 680 CB ASP A 43 2.365 -2.083 -8.345 1.00 0.00 C ATOM 681 CG ASP A 43 2.688 -0.702 -8.920 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.778 -0.542 -9.444 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.842 0.171 -8.825 1.00 0.00 O ATOM 0 H ASP A 43 2.139 -4.563 -7.924 1.00 0.00 H new ATOM 0 HA ASP A 43 3.571 -2.951 -9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.365 -2.390 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.369 -2.045 -7.256 1.00 0.00 H new ATOM 688 N LYS A 44 5.635 -2.171 -8.650 1.00 0.00 N ATOM 689 CA LYS A 44 6.945 -1.929 -7.972 1.00 0.00 C ATOM 690 C LYS A 44 6.902 -0.583 -7.247 1.00 0.00 C ATOM 691 O LYS A 44 6.787 0.460 -7.864 1.00 0.00 O ATOM 692 CB LYS A 44 8.061 -1.906 -9.019 1.00 0.00 C ATOM 693 CG LYS A 44 8.233 -3.305 -9.615 1.00 0.00 C ATOM 694 CD LYS A 44 9.387 -3.296 -10.618 1.00 0.00 C ATOM 695 CE LYS A 44 9.548 -4.689 -11.226 1.00 0.00 C ATOM 696 NZ LYS A 44 10.795 -4.735 -12.041 1.00 0.00 N ATOM 0 H LYS A 44 5.536 -1.729 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 44 7.135 -2.725 -7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.821 -1.191 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.995 -1.576 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.432 -4.027 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.312 -3.617 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.194 -2.565 -11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.310 -2.995 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.589 -5.439 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.685 -4.928 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.905 -5.683 -12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.738 -4.029 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.614 -4.525 -11.435 1.00 0.00 H new ATOM 710 N LEU A 45 6.991 -0.601 -5.939 1.00 0.00 N ATOM 711 CA LEU A 45 6.954 0.672 -5.150 1.00 0.00 C ATOM 712 C LEU A 45 8.360 0.997 -4.636 1.00 0.00 C ATOM 713 O LEU A 45 8.889 0.317 -3.779 1.00 0.00 O ATOM 714 CB LEU A 45 6.008 0.505 -3.950 1.00 0.00 C ATOM 715 CG LEU A 45 4.745 -0.251 -4.373 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.835 -0.435 -3.156 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.004 0.553 -5.441 1.00 0.00 C ATOM 0 H LEU A 45 7.088 -1.449 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 45 6.599 1.481 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.514 -0.037 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.739 1.483 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 45 5.021 -1.225 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.935 -0.973 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.362 -1.004 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.559 0.541 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.105 0.016 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.726 1.526 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.652 0.691 -6.307 1.00 0.00 H new ATOM 729 N THR A 46 8.969 2.037 -5.145 1.00 0.00 N ATOM 730 CA THR A 46 10.340 2.410 -4.674 1.00 0.00 C ATOM 731 C THR A 46 10.200 3.350 -3.466 1.00 0.00 C ATOM 732 O THR A 46 9.194 4.012 -3.311 1.00 0.00 O ATOM 733 CB THR A 46 11.109 3.123 -5.810 1.00 0.00 C ATOM 734 OG1 THR A 46 11.101 4.526 -5.587 1.00 0.00 O ATOM 735 CG2 THR A 46 10.452 2.822 -7.161 1.00 0.00 C ATOM 0 H THR A 46 8.578 2.644 -5.865 1.00 0.00 H new ATOM 0 HA THR A 46 10.893 1.516 -4.388 1.00 0.00 H new ATOM 0 HB THR A 46 12.136 2.759 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.715 4.979 -6.365 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.002 3.329 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.465 1.747 -7.341 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.421 3.175 -7.151 1.00 0.00 H new ATOM 743 N PRO A 47 11.195 3.412 -2.613 1.00 0.00 N ATOM 744 CA PRO A 47 11.157 4.292 -1.406 1.00 0.00 C ATOM 745 C PRO A 47 11.303 5.776 -1.772 1.00 0.00 C ATOM 746 O PRO A 47 12.187 6.157 -2.513 1.00 0.00 O ATOM 747 CB PRO A 47 12.353 3.809 -0.572 1.00 0.00 C ATOM 748 CG PRO A 47 13.315 3.257 -1.575 1.00 0.00 C ATOM 749 CD PRO A 47 12.461 2.658 -2.697 1.00 0.00 C ATOM 0 HA PRO A 47 10.208 4.225 -0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.797 4.627 -0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.052 3.049 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.970 4.039 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.955 2.498 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.936 2.780 -3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.301 1.590 -2.552 1.00 0.00 H new ATOM 757 N LEU A 48 10.443 6.613 -1.258 1.00 0.00 N ATOM 758 CA LEU A 48 10.533 8.067 -1.578 1.00 0.00 C ATOM 759 C LEU A 48 11.607 8.711 -0.698 1.00 0.00 C ATOM 760 O LEU A 48 12.682 9.043 -1.156 1.00 0.00 O ATOM 761 CB LEU A 48 9.174 8.730 -1.314 1.00 0.00 C ATOM 762 CG LEU A 48 9.295 10.259 -1.396 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.014 10.662 -2.689 1.00 0.00 C ATOM 764 CD2 LEU A 48 7.893 10.873 -1.382 1.00 0.00 C ATOM 0 H LEU A 48 9.682 6.353 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 48 10.799 8.200 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.444 8.378 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.807 8.441 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 48 9.869 10.621 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.095 11.748 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.012 10.223 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.448 10.302 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.971 11.959 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.326 10.504 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.383 10.594 -0.460 1.00 0.00 H new ATOM 776 N ALA A 49 11.325 8.892 0.563 1.00 0.00 N ATOM 777 CA ALA A 49 12.330 9.515 1.469 1.00 0.00 C ATOM 778 C ALA A 49 11.867 9.380 2.922 1.00 0.00 C ATOM 779 O ALA A 49 12.557 8.825 3.753 1.00 0.00 O ATOM 780 CB ALA A 49 12.482 10.997 1.119 1.00 0.00 C ATOM 0 H ALA A 49 10.442 8.635 1.005 1.00 0.00 H new ATOM 0 HA ALA A 49 13.288 9.011 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.217 11.454 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.815 11.095 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.523 11.500 1.240 1.00 0.00 H new ATOM 786 N ASP A 50 10.705 9.886 3.235 1.00 0.00 N ATOM 787 CA ASP A 50 10.202 9.788 4.636 1.00 0.00 C ATOM 788 C ASP A 50 9.582 8.408 4.863 1.00 0.00 C ATOM 789 O ASP A 50 9.845 7.756 5.854 1.00 0.00 O ATOM 790 CB ASP A 50 9.143 10.867 4.872 1.00 0.00 C ATOM 791 CG ASP A 50 8.799 10.928 6.362 1.00 0.00 C ATOM 792 OD1 ASP A 50 9.380 10.164 7.115 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.961 11.737 6.723 1.00 0.00 O ATOM 0 H ASP A 50 10.083 10.363 2.582 1.00 0.00 H new ATOM 0 HA ASP A 50 11.030 9.931 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.513 11.835 4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.248 10.647 4.290 1.00 0.00 H new ATOM 798 N ALA A 51 8.760 7.957 3.955 1.00 0.00 N ATOM 799 CA ALA A 51 8.125 6.618 4.123 1.00 0.00 C ATOM 800 C ALA A 51 7.274 6.300 2.891 1.00 0.00 C ATOM 801 O ALA A 51 7.253 5.184 2.411 1.00 0.00 O ATOM 802 CB ALA A 51 7.235 6.626 5.368 1.00 0.00 C ATOM 0 H ALA A 51 8.501 8.457 3.105 1.00 0.00 H new ATOM 0 HA ALA A 51 8.900 5.860 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.771 5.647 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.840 6.853 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.459 7.383 5.256 1.00 0.00 H new ATOM 808 N ARG A 52 6.571 7.271 2.376 1.00 0.00 N ATOM 809 CA ARG A 52 5.722 7.022 1.177 1.00 0.00 C ATOM 810 C ARG A 52 6.560 6.324 0.105 1.00 0.00 C ATOM 811 O ARG A 52 7.773 6.397 0.116 1.00 0.00 O ATOM 812 CB ARG A 52 5.203 8.354 0.631 1.00 0.00 C ATOM 813 CG ARG A 52 4.547 9.148 1.762 1.00 0.00 C ATOM 814 CD ARG A 52 3.979 10.455 1.205 1.00 0.00 C ATOM 815 NE ARG A 52 3.172 11.135 2.258 1.00 0.00 N ATOM 816 CZ ARG A 52 3.770 11.725 3.257 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.073 11.719 3.335 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.064 12.321 4.179 1.00 0.00 N ATOM 0 H ARG A 52 6.548 8.226 2.734 1.00 0.00 H new ATOM 0 HA ARG A 52 4.877 6.391 1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.024 8.927 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.483 8.176 -0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.752 8.560 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.277 9.360 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.790 11.105 0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.359 10.252 0.332 1.00 0.00 H new ATOM 0 HE ARG A 52 2.154 11.139 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.625 11.253 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.539 12.180 4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.046 12.325 4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.530 12.782 4.960 1.00 0.00 H new ATOM 832 N TYR A 53 5.923 5.644 -0.818 1.00 0.00 N ATOM 833 CA TYR A 53 6.677 4.933 -1.901 1.00 0.00 C ATOM 834 C TYR A 53 6.145 5.374 -3.265 1.00 0.00 C ATOM 835 O TYR A 53 4.961 5.578 -3.445 1.00 0.00 O ATOM 836 CB TYR A 53 6.486 3.425 -1.743 1.00 0.00 C ATOM 837 CG TYR A 53 6.797 3.023 -0.321 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.844 3.219 0.686 1.00 0.00 C ATOM 839 CD2 TYR A 53 8.038 2.455 -0.008 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.132 2.846 2.005 1.00 0.00 C ATOM 841 CE2 TYR A 53 8.326 2.083 1.311 1.00 0.00 C ATOM 842 CZ TYR A 53 7.373 2.279 2.317 1.00 0.00 C ATOM 843 OH TYR A 53 7.656 1.912 3.617 1.00 0.00 O ATOM 0 H TYR A 53 4.909 5.550 -0.869 1.00 0.00 H new ATOM 0 HA TYR A 53 7.737 5.176 -1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.462 3.149 -1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.138 2.891 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.887 3.658 0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.773 2.304 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.396 2.996 2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.283 1.645 1.552 1.00 0.00 H new ATOM 0 HH TYR A 53 8.559 1.534 3.661 1.00 0.00 H new ATOM 853 N CYS A 54 7.016 5.522 -4.232 1.00 0.00 N ATOM 854 CA CYS A 54 6.575 5.950 -5.594 1.00 0.00 C ATOM 855 C CYS A 54 6.457 4.723 -6.498 1.00 0.00 C ATOM 856 O CYS A 54 7.357 3.911 -6.577 1.00 0.00 O ATOM 857 CB CYS A 54 7.605 6.920 -6.182 1.00 0.00 C ATOM 858 SG CYS A 54 9.109 6.016 -6.623 1.00 0.00 S ATOM 0 H CYS A 54 8.019 5.364 -4.135 1.00 0.00 H new ATOM 0 HA CYS A 54 5.607 6.446 -5.525 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.194 7.413 -7.063 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.837 7.702 -5.459 1.00 0.00 H new ATOM 0 HG CYS A 54 9.532 5.348 -5.591 1.00 0.00 H new ATOM 864 N LEU A 55 5.352 4.580 -7.180 1.00 0.00 N ATOM 865 CA LEU A 55 5.173 3.401 -8.081 1.00 0.00 C ATOM 866 C LEU A 55 5.640 3.761 -9.491 1.00 0.00 C ATOM 867 O LEU A 55 5.492 4.882 -9.937 1.00 0.00 O ATOM 868 CB LEU A 55 3.690 2.995 -8.110 1.00 0.00 C ATOM 869 CG LEU A 55 2.793 4.202 -8.506 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.435 4.138 -9.997 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.492 4.177 -7.687 1.00 0.00 C ATOM 0 H LEU A 55 4.565 5.228 -7.153 1.00 0.00 H new ATOM 0 HA LEU A 55 5.765 2.565 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.545 2.181 -8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.392 2.621 -7.131 1.00 0.00 H new ATOM 0 HG LEU A 55 3.346 5.119 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.807 4.990 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.348 4.165 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.895 3.213 -10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.868 5.025 -7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.955 3.249 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.729 4.239 -6.625 1.00 0.00 H new ATOM 883 N ASN A 56 6.207 2.819 -10.194 1.00 0.00 N ATOM 884 CA ASN A 56 6.686 3.103 -11.578 1.00 0.00 C ATOM 885 C ASN A 56 7.696 4.254 -11.548 1.00 0.00 C ATOM 886 O ASN A 56 7.999 4.850 -12.560 1.00 0.00 O ATOM 887 CB ASN A 56 5.497 3.487 -12.463 1.00 0.00 C ATOM 888 CG ASN A 56 5.910 3.410 -13.936 1.00 0.00 C ATOM 889 OD1 ASN A 56 5.557 4.266 -14.722 1.00 0.00 O ATOM 890 ND2 ASN A 56 6.646 2.414 -14.343 1.00 0.00 N ATOM 0 H ASN A 56 6.360 1.864 -9.870 1.00 0.00 H new ATOM 0 HA ASN A 56 7.167 2.212 -11.983 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.658 2.817 -12.274 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.161 4.495 -12.221 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.926 2.353 -15.322 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.942 1.695 -13.682 1.00 0.00 H new ATOM 897 N ASN A 57 8.222 4.560 -10.392 1.00 0.00 N ATOM 898 CA ASN A 57 9.222 5.663 -10.281 1.00 0.00 C ATOM 899 C ASN A 57 8.585 7.002 -10.674 1.00 0.00 C ATOM 900 O ASN A 57 9.191 7.807 -11.354 1.00 0.00 O ATOM 901 CB ASN A 57 10.418 5.371 -11.200 1.00 0.00 C ATOM 902 CG ASN A 57 11.628 6.193 -10.751 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.952 6.229 -9.580 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.314 6.861 -11.637 1.00 0.00 N ATOM 0 H ASN A 57 8.001 4.090 -9.514 1.00 0.00 H new ATOM 0 HA ASN A 57 9.563 5.725 -9.248 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.658 4.308 -11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.164 5.614 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.121 7.413 -11.347 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.043 6.832 -12.620 1.00 0.00 H new ATOM 911 N ASN A 58 7.371 7.249 -10.241 1.00 0.00 N ATOM 912 CA ASN A 58 6.681 8.537 -10.570 1.00 0.00 C ATOM 913 C ASN A 58 6.231 9.202 -9.257 1.00 0.00 C ATOM 914 O ASN A 58 5.124 8.989 -8.805 1.00 0.00 O ATOM 915 CB ASN A 58 5.453 8.241 -11.437 1.00 0.00 C ATOM 916 CG ASN A 58 5.830 7.241 -12.531 1.00 0.00 C ATOM 917 OD1 ASN A 58 6.994 6.982 -12.760 1.00 0.00 O ATOM 918 ND2 ASN A 58 4.886 6.667 -13.225 1.00 0.00 N ATOM 0 H ASN A 58 6.824 6.607 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 58 7.357 9.200 -11.111 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.649 7.837 -10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.080 9.162 -11.884 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.126 6.001 -13.959 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.908 6.884 -13.033 1.00 0.00 H new ATOM 925 N PRO A 59 7.085 9.991 -8.640 1.00 0.00 N ATOM 926 CA PRO A 59 6.764 10.680 -7.351 1.00 0.00 C ATOM 927 C PRO A 59 5.375 11.334 -7.351 1.00 0.00 C ATOM 928 O PRO A 59 4.911 11.823 -6.341 1.00 0.00 O ATOM 929 CB PRO A 59 7.869 11.734 -7.228 1.00 0.00 C ATOM 930 CG PRO A 59 9.037 11.132 -7.937 1.00 0.00 C ATOM 931 CD PRO A 59 8.452 10.318 -9.096 1.00 0.00 C ATOM 0 HA PRO A 59 6.731 9.981 -6.515 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.570 12.678 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.103 11.944 -6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.712 11.905 -8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.616 10.497 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.438 10.893 -10.022 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.036 9.418 -9.288 1.00 0.00 H new ATOM 939 N THR A 60 4.710 11.338 -8.471 1.00 0.00 N ATOM 940 CA THR A 60 3.352 11.950 -8.532 1.00 0.00 C ATOM 941 C THR A 60 2.333 10.955 -7.972 1.00 0.00 C ATOM 942 O THR A 60 1.462 11.304 -7.199 1.00 0.00 O ATOM 943 CB THR A 60 3.005 12.270 -9.993 1.00 0.00 C ATOM 944 OG1 THR A 60 1.598 12.183 -10.173 1.00 0.00 O ATOM 945 CG2 THR A 60 3.704 11.268 -10.920 1.00 0.00 C ATOM 0 H THR A 60 5.048 10.944 -9.349 1.00 0.00 H new ATOM 0 HA THR A 60 3.331 12.868 -7.945 1.00 0.00 H new ATOM 0 HB THR A 60 3.342 13.278 -10.234 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.374 12.388 -11.105 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.456 11.497 -11.956 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.783 11.336 -10.781 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.370 10.258 -10.682 1.00 0.00 H new ATOM 953 N GLN A 61 2.447 9.712 -8.355 1.00 0.00 N ATOM 954 CA GLN A 61 1.508 8.663 -7.858 1.00 0.00 C ATOM 955 C GLN A 61 2.139 7.960 -6.654 1.00 0.00 C ATOM 956 O GLN A 61 2.464 6.791 -6.710 1.00 0.00 O ATOM 957 CB GLN A 61 1.239 7.639 -8.969 1.00 0.00 C ATOM 958 CG GLN A 61 1.050 8.361 -10.307 1.00 0.00 C ATOM 959 CD GLN A 61 0.330 7.438 -11.295 1.00 0.00 C ATOM 960 OE1 GLN A 61 0.955 6.829 -12.141 1.00 0.00 O ATOM 961 NE2 GLN A 61 -0.966 7.310 -11.223 1.00 0.00 N ATOM 0 H GLN A 61 3.161 9.373 -9.000 1.00 0.00 H new ATOM 0 HA GLN A 61 0.565 9.125 -7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.070 6.937 -9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.349 7.056 -8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.472 9.274 -10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.018 8.658 -10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.490 7.821 -10.513 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.455 6.699 -11.877 1.00 0.00 H new ATOM 970 N THR A 62 2.341 8.667 -5.571 1.00 0.00 N ATOM 971 CA THR A 62 2.983 8.037 -4.377 1.00 0.00 C ATOM 972 C THR A 62 1.910 7.540 -3.410 1.00 0.00 C ATOM 973 O THR A 62 0.805 8.045 -3.368 1.00 0.00 O ATOM 974 CB THR A 62 3.861 9.072 -3.669 1.00 0.00 C ATOM 975 OG1 THR A 62 3.108 10.256 -3.446 1.00 0.00 O ATOM 976 CG2 THR A 62 5.076 9.394 -4.539 1.00 0.00 C ATOM 0 H THR A 62 2.090 9.650 -5.462 1.00 0.00 H new ATOM 0 HA THR A 62 3.593 7.194 -4.701 1.00 0.00 H new ATOM 0 HB THR A 62 4.198 8.670 -2.714 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.668 10.919 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.700 10.131 -4.034 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.653 8.485 -4.709 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.742 9.796 -5.496 1.00 0.00 H new ATOM 984 N LEU A 63 2.234 6.524 -2.653 1.00 0.00 N ATOM 985 CA LEU A 63 1.257 5.927 -1.694 1.00 0.00 C ATOM 986 C LEU A 63 1.637 6.309 -0.255 1.00 0.00 C ATOM 987 O LEU A 63 2.793 6.526 0.051 1.00 0.00 O ATOM 988 CB LEU A 63 1.313 4.397 -1.873 1.00 0.00 C ATOM 989 CG LEU A 63 -0.047 3.749 -1.572 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.111 4.205 -2.600 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.118 2.222 -1.633 1.00 0.00 C ATOM 0 H LEU A 63 3.150 6.075 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 63 0.250 6.297 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.614 4.159 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.072 3.979 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.383 4.054 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.066 3.734 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.220 5.289 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.797 3.914 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.838 1.744 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.457 1.932 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.853 1.906 -0.893 1.00 0.00 H new ATOM 1003 N LYS A 64 0.666 6.390 0.629 1.00 0.00 N ATOM 1004 CA LYS A 64 0.949 6.754 2.056 1.00 0.00 C ATOM 1005 C LYS A 64 0.577 5.578 2.963 1.00 0.00 C ATOM 1006 O LYS A 64 -0.457 4.961 2.801 1.00 0.00 O ATOM 1007 CB LYS A 64 0.109 7.972 2.444 1.00 0.00 C ATOM 1008 CG LYS A 64 0.517 9.171 1.584 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.043 10.454 2.199 1.00 0.00 C ATOM 1010 CE LYS A 64 0.071 11.598 1.188 1.00 0.00 C ATOM 1011 NZ LYS A 64 -0.336 12.876 1.836 1.00 0.00 N ATOM 0 H LYS A 64 -0.317 6.218 0.420 1.00 0.00 H new ATOM 0 HA LYS A 64 2.008 6.986 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.950 7.755 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.251 8.203 3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.603 9.231 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.141 9.048 0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.085 10.309 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.504 10.703 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.095 11.673 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.562 11.398 0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.259 13.653 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.320 12.801 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.286 13.067 2.647 1.00 0.00 H new ATOM 1025 N ILE A 65 1.411 5.262 3.921 1.00 0.00 N ATOM 1026 CA ILE A 65 1.103 4.126 4.843 1.00 0.00 C ATOM 1027 C ILE A 65 0.370 4.649 6.078 1.00 0.00 C ATOM 1028 O ILE A 65 0.682 5.703 6.596 1.00 0.00 O ATOM 1029 CB ILE A 65 2.405 3.451 5.286 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.420 4.521 5.702 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.976 2.627 4.132 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.653 3.852 6.315 1.00 0.00 C ATOM 0 H ILE A 65 2.292 5.741 4.105 1.00 0.00 H new ATOM 0 HA ILE A 65 0.475 3.405 4.319 1.00 0.00 H new ATOM 0 HB ILE A 65 2.201 2.794 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.710 5.117 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.969 5.204 6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.902 2.148 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.255 1.864 3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.178 3.281 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.373 4.616 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.356 3.276 7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.109 3.188 5.581 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.597 3.908 6.558 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.360 4.334 7.774 1.00 0.00 C ATOM 1046 C ARG A 66 -0.986 3.412 8.936 1.00 0.00 C ATOM 1047 O ARG A 66 -1.018 3.801 10.086 1.00 0.00 O ATOM 1048 CB ARG A 66 -2.861 4.219 7.496 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.644 4.835 8.656 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.142 4.624 8.430 1.00 0.00 C ATOM 1051 NE ARG A 66 -5.884 4.957 9.678 1.00 0.00 N ATOM 1052 CZ ARG A 66 -6.006 6.200 10.054 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -5.478 7.154 9.335 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -6.656 6.492 11.148 1.00 0.00 N ATOM 0 H ARG A 66 -0.894 3.018 6.157 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.117 5.366 8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.109 4.728 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.139 3.173 7.371 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.340 4.378 9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.423 5.900 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.489 5.252 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.335 3.590 8.144 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.297 4.212 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.971 6.927 8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.573 8.126 9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.069 5.748 11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.751 7.464 11.441 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.626 2.192 8.636 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.241 1.233 9.712 1.00 0.00 C ATOM 1070 C ASN A 67 0.119 -0.115 9.078 1.00 0.00 C ATOM 1071 O ASN A 67 -0.743 -0.861 8.653 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.415 1.050 10.681 1.00 0.00 C ATOM 1073 CG ASN A 67 -2.724 0.987 9.892 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -3.316 2.005 9.593 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -3.204 -0.175 9.541 1.00 0.00 N ATOM 0 H ASN A 67 -0.582 1.817 7.688 1.00 0.00 H new ATOM 0 HA ASN A 67 0.618 1.621 10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.283 0.136 11.260 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.446 1.876 11.392 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.077 -0.229 9.015 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.707 -1.029 9.792 1.00 0.00 H new ATOM 1082 N ALA A 68 1.386 -0.430 9.006 1.00 0.00 N ATOM 1083 CA ALA A 68 1.800 -1.727 8.396 1.00 0.00 C ATOM 1084 C ALA A 68 1.597 -2.865 9.399 1.00 0.00 C ATOM 1085 O ALA A 68 1.587 -2.659 10.597 1.00 0.00 O ATOM 1086 CB ALA A 68 3.276 -1.664 8.001 1.00 0.00 C ATOM 0 H ALA A 68 2.151 0.155 9.343 1.00 0.00 H new ATOM 0 HA ALA A 68 1.191 -1.910 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.574 -2.613 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.425 -0.862 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.882 -1.472 8.887 1.00 0.00 H new ATOM 1092 N THR A 69 1.438 -4.068 8.911 1.00 0.00 N ATOM 1093 CA THR A 69 1.239 -5.241 9.818 1.00 0.00 C ATOM 1094 C THR A 69 2.011 -6.438 9.258 1.00 0.00 C ATOM 1095 O THR A 69 2.021 -6.680 8.068 1.00 0.00 O ATOM 1096 CB THR A 69 -0.252 -5.579 9.892 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.944 -4.522 10.541 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.445 -6.876 10.681 1.00 0.00 C ATOM 0 H THR A 69 1.437 -4.291 7.916 1.00 0.00 H new ATOM 0 HA THR A 69 1.603 -5.004 10.818 1.00 0.00 H new ATOM 0 HB THR A 69 -0.646 -5.707 8.884 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.798 -4.363 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.507 -7.116 10.733 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.086 -7.687 10.183 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.052 -6.750 11.690 1.00 0.00 H new ATOM 1106 N HIS A 70 2.667 -7.184 10.106 1.00 0.00 N ATOM 1107 CA HIS A 70 3.449 -8.356 9.620 1.00 0.00 C ATOM 1108 C HIS A 70 2.503 -9.478 9.180 1.00 0.00 C ATOM 1109 O HIS A 70 2.684 -10.625 9.535 1.00 0.00 O ATOM 1110 CB HIS A 70 4.351 -8.866 10.745 1.00 0.00 C ATOM 1111 CG HIS A 70 5.325 -9.870 10.192 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.357 -10.206 8.846 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.307 -10.622 10.790 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.329 -11.122 8.679 1.00 0.00 C ATOM 1115 NE2 HIS A 70 6.936 -11.408 9.831 1.00 0.00 N ATOM 0 H HIS A 70 2.695 -7.032 11.114 1.00 0.00 H new ATOM 0 HA HIS A 70 4.056 -8.049 8.769 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.889 -8.034 11.199 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.748 -9.323 11.530 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.552 -10.605 11.842 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.585 -11.570 7.730 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.702 -12.066 9.978 1.00 0.00 H new ATOM 1124 N TYR A 71 1.498 -9.161 8.407 1.00 0.00 N ATOM 1125 CA TYR A 71 0.553 -10.222 7.946 1.00 0.00 C ATOM 1126 C TYR A 71 0.125 -11.076 9.145 1.00 0.00 C ATOM 1127 O TYR A 71 0.003 -12.281 9.055 1.00 0.00 O ATOM 1128 CB TYR A 71 1.252 -11.098 6.898 1.00 0.00 C ATOM 1129 CG TYR A 71 0.338 -12.225 6.470 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.790 -11.951 5.689 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.619 -13.544 6.851 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.636 -12.993 5.289 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -0.226 -14.585 6.452 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.355 -14.309 5.671 1.00 0.00 C ATOM 1135 OH TYR A 71 -2.189 -15.336 5.277 1.00 0.00 O ATOM 0 H TYR A 71 1.291 -8.219 8.076 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.331 -9.766 7.501 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.527 -10.494 6.033 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.176 -11.505 7.310 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.009 -10.935 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.489 -13.757 7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.506 -12.780 4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.008 -15.601 6.746 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.094 -15.171 5.616 1.00 0.00 H new ATOM 1145 N SER A 72 -0.104 -10.458 10.271 1.00 0.00 N ATOM 1146 CA SER A 72 -0.523 -11.231 11.474 1.00 0.00 C ATOM 1147 C SER A 72 -1.897 -11.854 11.224 1.00 0.00 C ATOM 1148 O SER A 72 -2.767 -11.246 10.631 1.00 0.00 O ATOM 1149 CB SER A 72 -0.598 -10.296 12.681 1.00 0.00 C ATOM 1150 OG SER A 72 -1.278 -9.104 12.310 1.00 0.00 O ATOM 0 H SER A 72 -0.019 -9.451 10.410 1.00 0.00 H new ATOM 0 HA SER A 72 0.203 -12.019 11.672 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.120 -10.786 13.503 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.405 -10.061 13.036 1.00 0.00 H new ATOM 0 HG SER A 72 -1.457 -8.567 13.110 1.00 0.00 H new ATOM 1156 N SER A 73 -2.099 -13.061 11.672 1.00 0.00 N ATOM 1157 CA SER A 73 -3.417 -13.724 11.460 1.00 0.00 C ATOM 1158 C SER A 73 -4.531 -12.836 12.018 1.00 0.00 C ATOM 1159 O SER A 73 -5.700 -13.107 11.838 1.00 0.00 O ATOM 1160 CB SER A 73 -3.431 -15.072 12.180 1.00 0.00 C ATOM 1161 OG SER A 73 -2.485 -15.940 11.570 1.00 0.00 O ATOM 0 H SER A 73 -1.409 -13.618 12.176 1.00 0.00 H new ATOM 0 HA SER A 73 -3.577 -13.880 10.393 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.190 -14.937 13.234 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.427 -15.511 12.134 1.00 0.00 H new ATOM 0 HG SER A 73 -2.490 -16.805 12.031 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.181 -11.781 12.699 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.226 -10.884 13.270 1.00 0.00 C ATOM 1169 C GLU A 74 -5.791 -9.979 12.171 1.00 0.00 C ATOM 1170 O GLU A 74 -6.989 -9.842 12.024 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.609 -10.022 14.373 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.072 -10.924 15.487 1.00 0.00 C ATOM 1173 CD GLU A 74 -5.242 -11.591 16.213 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -6.361 -11.144 16.027 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -4.997 -12.537 16.944 1.00 0.00 O ATOM 0 H GLU A 74 -3.218 -11.501 12.885 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.032 -11.489 13.686 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.803 -9.412 13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.356 -9.337 14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.410 -11.682 15.068 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.480 -10.338 16.190 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.939 -9.356 11.402 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.431 -8.456 10.319 1.00 0.00 C ATOM 1184 C ARG A 75 -5.835 -9.288 9.097 1.00 0.00 C ATOM 1185 O ARG A 75 -6.824 -9.013 8.448 1.00 0.00 O ATOM 1186 CB ARG A 75 -4.315 -7.476 9.928 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.234 -6.347 10.961 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.997 -6.937 12.353 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.515 -5.865 13.270 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.619 -6.015 14.562 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.146 -7.103 15.053 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.194 -5.076 15.365 1.00 0.00 N ATOM 0 H ARG A 75 -3.925 -9.431 11.477 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.298 -7.900 10.675 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.361 -8.000 9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.511 -7.063 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.426 -5.663 10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.157 -5.767 10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.920 -7.372 12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.264 -7.741 12.299 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.104 -5.014 12.887 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.477 -7.837 14.427 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.227 -7.220 16.063 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.781 -4.226 14.982 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.275 -5.193 16.375 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.075 -10.298 8.776 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.416 -11.140 7.593 1.00 0.00 C ATOM 1208 C TRP A 76 -6.790 -11.788 7.799 1.00 0.00 C ATOM 1209 O TRP A 76 -7.707 -11.572 7.032 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.339 -12.219 7.418 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.786 -13.240 6.415 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -4.989 -14.551 6.684 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.088 -13.062 4.999 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.396 -15.188 5.526 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.472 -14.314 4.461 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.067 -11.950 4.137 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -5.821 -14.457 3.117 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.418 -12.090 2.785 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -5.795 -13.341 2.277 1.00 0.00 C ATOM 0 H TRP A 76 -4.233 -10.577 9.280 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.454 -10.521 6.696 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.406 -11.761 7.090 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.139 -12.702 8.375 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -4.855 -15.023 7.646 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.614 -16.183 5.466 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.779 -10.982 4.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.109 -15.423 2.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.397 -11.229 2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.065 -13.442 1.236 1.00 0.00 H new ATOM 1230 N THR A 77 -6.940 -12.583 8.823 1.00 0.00 N ATOM 1231 CA THR A 77 -8.254 -13.241 9.063 1.00 0.00 C ATOM 1232 C THR A 77 -9.334 -12.176 9.253 1.00 0.00 C ATOM 1233 O THR A 77 -10.489 -12.385 8.940 1.00 0.00 O ATOM 1234 CB THR A 77 -8.170 -14.112 10.318 1.00 0.00 C ATOM 1235 OG1 THR A 77 -8.017 -13.282 11.460 1.00 0.00 O ATOM 1236 CG2 THR A 77 -6.975 -15.062 10.206 1.00 0.00 C ATOM 0 H THR A 77 -6.211 -12.804 9.502 1.00 0.00 H new ATOM 0 HA THR A 77 -8.507 -13.864 8.205 1.00 0.00 H new ATOM 0 HB THR A 77 -9.085 -14.697 10.416 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.118 -12.891 11.463 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.917 -15.681 11.101 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.098 -15.700 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.057 -14.482 10.106 1.00 0.00 H new ATOM 1244 N ASN A 78 -8.968 -11.028 9.759 1.00 0.00 N ATOM 1245 CA ASN A 78 -9.974 -9.948 9.963 1.00 0.00 C ATOM 1246 C ASN A 78 -10.158 -9.181 8.653 1.00 0.00 C ATOM 1247 O ASN A 78 -11.147 -8.506 8.450 1.00 0.00 O ATOM 1248 CB ASN A 78 -9.480 -8.990 11.050 1.00 0.00 C ATOM 1249 CG ASN A 78 -10.522 -7.893 11.275 1.00 0.00 C ATOM 1250 OD1 ASN A 78 -10.183 -6.775 11.610 1.00 0.00 O ATOM 1251 ND2 ASN A 78 -11.788 -8.166 11.105 1.00 0.00 N ATOM 0 H ASN A 78 -8.016 -10.793 10.039 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.925 -10.384 10.270 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -9.304 -9.535 11.977 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.529 -8.548 10.755 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.490 -7.441 11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.074 -9.104 10.824 1.00 0.00 H new ATOM 1258 N ALA A 79 -9.209 -9.282 7.762 1.00 0.00 N ATOM 1259 CA ALA A 79 -9.323 -8.562 6.463 1.00 0.00 C ATOM 1260 C ALA A 79 -10.168 -9.392 5.493 1.00 0.00 C ATOM 1261 O ALA A 79 -11.256 -9.006 5.117 1.00 0.00 O ATOM 1262 CB ALA A 79 -7.927 -8.355 5.871 1.00 0.00 C ATOM 0 H ALA A 79 -8.359 -9.833 7.879 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.798 -7.594 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.009 -7.828 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.323 -7.766 6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.453 -9.323 5.709 1.00 0.00 H new ATOM 1268 N ASP A 80 -9.674 -10.530 5.088 1.00 0.00 N ATOM 1269 CA ASP A 80 -10.448 -11.384 4.144 1.00 0.00 C ATOM 1270 C ASP A 80 -11.642 -12.001 4.876 1.00 0.00 C ATOM 1271 O ASP A 80 -11.987 -13.147 4.667 1.00 0.00 O ATOM 1272 CB ASP A 80 -9.548 -12.499 3.607 1.00 0.00 C ATOM 1273 CG ASP A 80 -10.339 -13.368 2.629 1.00 0.00 C ATOM 1274 OD1 ASP A 80 -10.475 -12.965 1.485 1.00 0.00 O ATOM 1275 OD2 ASP A 80 -10.795 -14.423 3.039 1.00 0.00 O ATOM 0 H ASP A 80 -8.768 -10.905 5.370 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.805 -10.775 3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.679 -12.070 3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.175 -13.108 4.431 1.00 0.00 H new ATOM 1280 N LYS A 81 -12.276 -11.249 5.735 1.00 0.00 N ATOM 1281 CA LYS A 81 -13.446 -11.793 6.480 1.00 0.00 C ATOM 1282 C LYS A 81 -14.542 -12.189 5.488 1.00 0.00 C ATOM 1283 O LYS A 81 -14.749 -13.378 5.309 1.00 0.00 O ATOM 1284 CB LYS A 81 -13.984 -10.725 7.434 1.00 0.00 C ATOM 1285 CG LYS A 81 -15.118 -11.315 8.274 1.00 0.00 C ATOM 1286 CD LYS A 81 -15.541 -10.306 9.344 1.00 0.00 C ATOM 1287 CE LYS A 81 -16.865 -10.748 9.970 1.00 0.00 C ATOM 1288 NZ LYS A 81 -17.237 -9.807 11.063 1.00 0.00 N ATOM 0 H LYS A 81 -12.034 -10.282 5.952 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.138 -12.669 7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.185 -10.366 8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.345 -9.866 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.967 -11.561 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.792 -12.243 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.771 -10.231 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.649 -9.315 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.648 -10.770 9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.773 -11.761 10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.137 -10.108 11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.493 -9.808 11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.341 -8.848 10.675 1.00 0.00 H new TER 1302 LYS A 81