USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1031 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 114 GLN :FLIP amide:sc= -4.51! C(o=-6.1!,f=-5.3!) USER MOD Set 1.2: A 115 GLN : amide:sc= -0.75 K(o=-5.3,f=-7.6!) USER MOD Set 2.1: A 103 ASN :FLIP amide:sc= -0.377 F(o=-5.7,f=-0.55) USER MOD Set 2.2: A 106 GLN :FLIP amide:sc= -0.174 F(o=-1.4,f=-0.55) USER MOD Set 3.1: A 4 HIS : no HE2:sc= -6.63! C(o=-21!,f=-31!) USER MOD Set 3.2: A 56 GLN : amide:sc= -12! C(o=-21!,f=-25!) USER MOD Set 3.3: A 60 GLN : amide:sc= -2.27! C(o=-21!,f=-25!) USER MOD Set 4.1: A 3 MET CE :methyl 165:sc= -0.111 (180deg=-0.498) USER MOD Set 4.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 34 SER OG : rot 180:sc= -0.47 USER MOD Set 5.2: A 36 GLN : amide:sc= 0 K(o=-0.47,f=-1.7) USER MOD Single : A 6 HIS : no HE2:sc= 0.313 K(o=0.31,f=-2.8!) USER MOD Single : A 11 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.54) USER MOD Single : A 12 HIS : no HD1:sc= -2 K(o=-2,f=-6.4!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.372 K(o=-0.37,f=-1.4) USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= -0.193 (180deg=-1.09) USER MOD Single : A 25 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.34) USER MOD Single : A 28 SER OG : rot 115:sc= -0.183 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl 144:sc= -1.63 (180deg=-2.78) USER MOD Single : A 39 GLN : amide:sc= -2.15! C(o=-2.1!,f=-2.4!) USER MOD Single : A 40 THR OG1 : rot 61:sc= -1.06! USER MOD Single : A 46 GLN : amide:sc= -3.51! C(o=-3.5!,f=-5.9!) USER MOD Single : A 47 GLN :FLIP amide:sc= -2.89! C(o=-3.6!,f=-2.9!) USER MOD Single : A 51 THR OG1 : rot -170:sc= -0.048 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -145:sc= -2.73! USER MOD Single : A 64 SER OG : rot -45:sc= 0.343 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -160:sc= -0.854 USER MOD Single : A 71 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-6.8!) USER MOD Single : A 72 HIS : no HD1:sc= -0.619 K(o=-0.62,f=-2) USER MOD Single : A 73 GLN : amide:sc= -0.34 K(o=-0.34,f=-1) USER MOD Single : A 74 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -54:sc= -0.233! USER MOD Single : A 84 THR OG1 : rot -65:sc= -0.0628 USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 89 SER OG : rot -65:sc= 0.731 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 100 GLN : amide:sc= -2.79! K(o=-2.8!,f=-4.7) USER MOD Single : A 102 ASN : amide:sc= -1.03 K(o=-1,f=-1.8) USER MOD Single : A 105 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 127 SER OG : rot -80:sc= -4.39! USER MOD Single : A 129 LYS NZ :NH3+ -108:sc= -1.97 (180deg=-4.86!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.822 10.037 -0.289 1.00 0.00 N ATOM 2 CA PRO A 1 7.134 9.836 0.403 1.00 0.00 C ATOM 3 C PRO A 1 7.024 10.338 1.850 1.00 0.00 C ATOM 4 O PRO A 1 6.730 11.490 2.097 1.00 0.00 O ATOM 5 CB PRO A 1 8.214 10.619 -0.374 1.00 0.00 C ATOM 6 CG PRO A 1 7.502 11.351 -1.519 1.00 0.00 C ATOM 7 CD PRO A 1 6.015 10.960 -1.450 1.00 0.00 C ATOM 0 H2 PRO A 1 5.138 10.427 0.360 1.00 0.00 H new ATOM 0 H3 PRO A 1 5.453 9.142 -0.609 1.00 0.00 H new ATOM 0 HA PRO A 1 7.405 8.781 0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 1 8.722 11.328 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 1 8.975 9.943 -0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 1 7.622 12.430 -1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 1 7.930 11.070 -2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 1 5.394 11.849 -1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 1 5.707 10.474 -2.376 1.00 0.00 H new ATOM 17 N VAL A 2 7.304 9.479 2.792 1.00 0.00 N ATOM 18 CA VAL A 2 7.263 9.862 4.237 1.00 0.00 C ATOM 19 C VAL A 2 8.377 9.100 4.961 1.00 0.00 C ATOM 20 O VAL A 2 8.460 7.890 4.896 1.00 0.00 O ATOM 21 CB VAL A 2 5.904 9.479 4.853 1.00 0.00 C ATOM 22 CG1 VAL A 2 4.750 10.164 4.080 1.00 0.00 C ATOM 23 CG2 VAL A 2 5.741 7.938 4.821 1.00 0.00 C ATOM 0 H VAL A 2 7.565 8.508 2.620 1.00 0.00 H new ATOM 0 HA VAL A 2 7.400 10.939 4.338 1.00 0.00 H new ATOM 0 HB VAL A 2 5.868 9.820 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.796 9.884 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.870 11.246 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.770 9.845 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.780 7.665 5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.784 7.589 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.544 7.475 5.395 1.00 0.00 H new ATOM 33 N MET A 3 9.249 9.792 5.627 1.00 0.00 N ATOM 34 CA MET A 3 10.372 9.107 6.329 1.00 0.00 C ATOM 35 C MET A 3 9.974 8.761 7.766 1.00 0.00 C ATOM 36 O MET A 3 9.325 9.534 8.441 1.00 0.00 O ATOM 37 CB MET A 3 11.568 10.053 6.327 1.00 0.00 C ATOM 38 CG MET A 3 11.938 10.359 4.871 1.00 0.00 C ATOM 39 SD MET A 3 13.271 11.582 4.828 1.00 0.00 S ATOM 40 CE MET A 3 13.388 11.728 3.029 1.00 0.00 C ATOM 0 H MET A 3 9.237 10.808 5.719 1.00 0.00 H new ATOM 0 HA MET A 3 10.622 8.176 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.325 10.973 6.858 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.412 9.599 6.846 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.252 9.446 4.365 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.067 10.737 4.335 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.961 12.619 2.773 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.887 10.847 2.624 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.387 11.805 2.604 1.00 0.00 H new ATOM 50 N HIS A 4 10.326 7.580 8.227 1.00 0.00 N ATOM 51 CA HIS A 4 9.946 7.154 9.616 1.00 0.00 C ATOM 52 C HIS A 4 11.135 7.379 10.581 1.00 0.00 C ATOM 53 O HIS A 4 12.253 7.552 10.137 1.00 0.00 O ATOM 54 CB HIS A 4 9.560 5.651 9.579 1.00 0.00 C ATOM 55 CG HIS A 4 8.081 5.471 9.824 1.00 0.00 C ATOM 56 ND1 HIS A 4 7.592 4.606 10.791 1.00 0.00 N ATOM 57 CD2 HIS A 4 6.977 6.039 9.238 1.00 0.00 C ATOM 58 CE1 HIS A 4 6.249 4.677 10.758 1.00 0.00 C ATOM 59 NE2 HIS A 4 5.822 5.536 9.829 1.00 0.00 N ATOM 0 H HIS A 4 10.862 6.891 7.699 1.00 0.00 H new ATOM 0 HA HIS A 4 9.101 7.744 9.972 1.00 0.00 H new ATOM 0 HB2 HIS A 4 9.827 5.226 8.612 1.00 0.00 H new ATOM 0 HB3 HIS A 4 10.127 5.107 10.334 1.00 0.00 H new ATOM 0 HD1 HIS A 4 8.149 4.022 11.414 1.00 0.00 H new ATOM 0 HD2 HIS A 4 7.001 6.766 8.440 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.596 4.109 11.404 1.00 0.00 H new ATOM 67 N PRO A 5 10.865 7.350 11.880 1.00 0.00 N ATOM 68 CA PRO A 5 11.923 7.529 12.897 1.00 0.00 C ATOM 69 C PRO A 5 12.920 6.368 12.808 1.00 0.00 C ATOM 70 O PRO A 5 12.770 5.471 12.003 1.00 0.00 O ATOM 71 CB PRO A 5 11.186 7.532 14.256 1.00 0.00 C ATOM 72 CG PRO A 5 9.703 7.155 13.974 1.00 0.00 C ATOM 73 CD PRO A 5 9.507 7.151 12.440 1.00 0.00 C ATOM 0 HA PRO A 5 12.492 8.448 12.757 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.641 6.818 14.942 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.251 8.513 14.727 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.470 6.176 14.393 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.029 7.871 14.445 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.074 6.211 12.100 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.830 7.946 12.126 1.00 0.00 H new ATOM 81 N HIS A 6 13.953 6.404 13.607 1.00 0.00 N ATOM 82 CA HIS A 6 14.982 5.329 13.551 1.00 0.00 C ATOM 83 C HIS A 6 15.607 5.357 12.160 1.00 0.00 C ATOM 84 O HIS A 6 15.607 4.380 11.439 1.00 0.00 O ATOM 85 CB HIS A 6 14.340 3.959 13.815 1.00 0.00 C ATOM 86 CG HIS A 6 15.410 2.963 14.179 1.00 0.00 C ATOM 87 ND1 HIS A 6 16.384 2.564 13.278 1.00 0.00 N ATOM 88 CD2 HIS A 6 15.671 2.280 15.341 1.00 0.00 C ATOM 89 CE1 HIS A 6 17.179 1.679 13.907 1.00 0.00 C ATOM 90 NE2 HIS A 6 16.789 1.470 15.167 1.00 0.00 N ATOM 0 H HIS A 6 14.128 7.134 14.297 1.00 0.00 H new ATOM 0 HA HIS A 6 15.742 5.494 14.315 1.00 0.00 H new ATOM 0 HB2 HIS A 6 13.611 4.037 14.622 1.00 0.00 H new ATOM 0 HB3 HIS A 6 13.801 3.622 12.930 1.00 0.00 H new ATOM 0 HD1 HIS A 6 16.481 2.883 12.314 1.00 0.00 H new ATOM 0 HD2 HIS A 6 15.096 2.359 16.252 1.00 0.00 H new ATOM 0 HE1 HIS A 6 18.029 1.196 13.448 1.00 0.00 H new ATOM 98 N GLY A 7 16.128 6.490 11.779 1.00 0.00 N ATOM 99 CA GLY A 7 16.746 6.621 10.432 1.00 0.00 C ATOM 100 C GLY A 7 16.946 8.104 10.106 1.00 0.00 C ATOM 101 O GLY A 7 18.059 8.588 10.063 1.00 0.00 O ATOM 0 H GLY A 7 16.152 7.336 12.348 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.703 6.099 10.407 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.109 6.155 9.681 1.00 0.00 H new ATOM 105 N ALA A 8 15.877 8.832 9.867 1.00 0.00 N ATOM 106 CA ALA A 8 16.016 10.288 9.533 1.00 0.00 C ATOM 107 C ALA A 8 14.879 11.060 10.236 1.00 0.00 C ATOM 108 O ALA A 8 14.011 10.442 10.815 1.00 0.00 O ATOM 109 CB ALA A 8 15.924 10.432 7.995 1.00 0.00 C ATOM 0 H ALA A 8 14.919 8.482 9.889 1.00 0.00 H new ATOM 0 HA ALA A 8 16.970 10.693 9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 8 16.022 11.483 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.725 9.859 7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.960 10.056 7.651 1.00 0.00 H new ATOM 115 N PRO A 9 14.889 12.382 10.159 1.00 0.00 N ATOM 116 CA PRO A 9 13.826 13.182 10.787 1.00 0.00 C ATOM 117 C PRO A 9 12.529 12.739 10.118 1.00 0.00 C ATOM 118 O PRO A 9 12.392 12.934 8.927 1.00 0.00 O ATOM 119 CB PRO A 9 14.157 14.643 10.425 1.00 0.00 C ATOM 120 CG PRO A 9 15.548 14.640 9.733 1.00 0.00 C ATOM 121 CD PRO A 9 15.913 13.166 9.447 1.00 0.00 C ATOM 0 HA PRO A 9 13.741 13.070 11.868 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.398 15.057 9.761 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.173 15.267 11.319 1.00 0.00 H new ATOM 0 HG2 PRO A 9 15.519 15.216 8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.297 15.105 10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.900 12.955 8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 9 16.914 12.929 9.807 1.00 0.00 H new ATOM 129 N PRO A 10 11.633 12.102 10.823 1.00 0.00 N ATOM 130 CA PRO A 10 10.439 11.611 10.151 1.00 0.00 C ATOM 131 C PRO A 10 9.526 12.766 9.727 1.00 0.00 C ATOM 132 O PRO A 10 9.222 13.651 10.501 1.00 0.00 O ATOM 133 CB PRO A 10 9.757 10.693 11.183 1.00 0.00 C ATOM 134 CG PRO A 10 10.435 10.977 12.554 1.00 0.00 C ATOM 135 CD PRO A 10 11.708 11.806 12.270 1.00 0.00 C ATOM 0 HA PRO A 10 10.674 11.077 9.230 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.687 10.894 11.232 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.872 9.646 10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.759 11.523 13.212 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.688 10.045 13.059 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.728 12.720 12.863 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.611 11.247 12.516 1.00 0.00 H new ATOM 143 N ASN A 11 9.084 12.754 8.500 1.00 0.00 N ATOM 144 CA ASN A 11 8.188 13.843 8.029 1.00 0.00 C ATOM 145 C ASN A 11 7.570 13.469 6.681 1.00 0.00 C ATOM 146 O ASN A 11 8.074 12.626 5.966 1.00 0.00 O ATOM 147 CB ASN A 11 8.991 15.137 7.880 1.00 0.00 C ATOM 148 CG ASN A 11 8.042 16.295 7.569 1.00 0.00 C ATOM 149 OD1 ASN A 11 8.216 16.993 6.590 1.00 0.00 O ATOM 150 ND2 ASN A 11 7.037 16.532 8.368 1.00 0.00 N ATOM 0 H ASN A 11 9.304 12.039 7.806 1.00 0.00 H new ATOM 0 HA ASN A 11 7.391 13.988 8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.543 15.342 8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.726 15.031 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.399 17.303 8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.890 15.947 9.190 1.00 0.00 H new ATOM 157 N HIS A 12 6.488 14.111 6.325 1.00 0.00 N ATOM 158 CA HIS A 12 5.829 13.826 5.014 1.00 0.00 C ATOM 159 C HIS A 12 6.235 14.921 4.032 1.00 0.00 C ATOM 160 O HIS A 12 6.263 16.085 4.381 1.00 0.00 O ATOM 161 CB HIS A 12 4.308 13.835 5.191 1.00 0.00 C ATOM 162 CG HIS A 12 3.923 12.873 6.280 1.00 0.00 C ATOM 163 ND1 HIS A 12 4.817 11.953 6.805 1.00 0.00 N ATOM 164 CD2 HIS A 12 2.743 12.676 6.954 1.00 0.00 C ATOM 165 CE1 HIS A 12 4.167 11.251 7.751 1.00 0.00 C ATOM 166 NE2 HIS A 12 2.899 11.651 7.883 1.00 0.00 N ATOM 0 H HIS A 12 6.029 14.826 6.890 1.00 0.00 H new ATOM 0 HA HIS A 12 6.135 12.849 4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.967 14.839 5.441 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.821 13.556 4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.832 13.232 6.788 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.616 10.460 8.333 1.00 0.00 H new ATOM 0 HE2 HIS A 12 2.197 11.284 8.526 1.00 0.00 H new ATOM 174 N ARG A 13 6.580 14.569 2.814 1.00 0.00 N ATOM 175 CA ARG A 13 7.016 15.614 1.833 1.00 0.00 C ATOM 176 C ARG A 13 6.406 15.379 0.443 1.00 0.00 C ATOM 177 O ARG A 13 7.127 15.087 -0.490 1.00 0.00 O ATOM 178 CB ARG A 13 8.544 15.533 1.707 1.00 0.00 C ATOM 179 CG ARG A 13 8.986 14.076 1.390 1.00 0.00 C ATOM 180 CD ARG A 13 9.384 13.334 2.676 1.00 0.00 C ATOM 181 NE ARG A 13 10.680 13.879 3.170 1.00 0.00 N ATOM 182 CZ ARG A 13 11.075 13.629 4.388 1.00 0.00 C ATOM 183 NH1 ARG A 13 10.343 12.890 5.175 1.00 0.00 N ATOM 184 NH2 ARG A 13 12.206 14.119 4.819 1.00 0.00 N ATOM 0 H ARG A 13 6.579 13.612 2.460 1.00 0.00 H new ATOM 0 HA ARG A 13 6.685 16.589 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.886 16.203 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.010 15.867 2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.173 13.544 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.827 14.089 0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.611 13.455 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.475 12.265 2.481 1.00 0.00 H new ATOM 0 HE ARG A 13 11.260 14.449 2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.460 12.506 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.654 12.696 6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.779 14.696 4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.516 13.925 5.771 1.00 0.00 H new ATOM 198 N PRO A 14 5.110 15.549 0.314 1.00 0.00 N ATOM 199 CA PRO A 14 4.452 15.390 -0.990 1.00 0.00 C ATOM 200 C PRO A 14 4.649 16.683 -1.799 1.00 0.00 C ATOM 201 O PRO A 14 4.323 17.763 -1.348 1.00 0.00 O ATOM 202 CB PRO A 14 2.970 15.166 -0.642 1.00 0.00 C ATOM 203 CG PRO A 14 2.782 15.646 0.830 1.00 0.00 C ATOM 204 CD PRO A 14 4.196 15.871 1.426 1.00 0.00 C ATOM 0 HA PRO A 14 4.847 14.570 -1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.324 15.726 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.702 14.114 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.200 16.567 0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.235 14.903 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.327 16.899 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.373 15.226 2.287 1.00 0.00 H new ATOM 212 N TRP A 15 5.183 16.579 -2.985 1.00 0.00 N ATOM 213 CA TRP A 15 5.401 17.800 -3.814 1.00 0.00 C ATOM 214 C TRP A 15 4.080 18.196 -4.477 1.00 0.00 C ATOM 215 O TRP A 15 4.022 19.104 -5.281 1.00 0.00 O ATOM 216 CB TRP A 15 6.445 17.501 -4.895 1.00 0.00 C ATOM 217 CG TRP A 15 7.815 17.478 -4.290 1.00 0.00 C ATOM 218 CD1 TRP A 15 8.166 16.793 -3.176 1.00 0.00 C ATOM 219 CD2 TRP A 15 9.021 18.155 -4.750 1.00 0.00 C ATOM 220 NE1 TRP A 15 9.509 17.010 -2.923 1.00 0.00 N ATOM 221 CE2 TRP A 15 10.079 17.842 -3.865 1.00 0.00 C ATOM 222 CE3 TRP A 15 9.295 19.003 -5.838 1.00 0.00 C ATOM 223 CZ2 TRP A 15 11.365 18.352 -4.053 1.00 0.00 C ATOM 224 CZ3 TRP A 15 10.587 19.518 -6.031 1.00 0.00 C ATOM 225 CH2 TRP A 15 11.620 19.193 -5.140 1.00 0.00 C ATOM 0 H TRP A 15 5.478 15.703 -3.416 1.00 0.00 H new ATOM 0 HA TRP A 15 5.756 18.616 -3.184 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.230 16.541 -5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 15 6.397 18.257 -5.678 1.00 0.00 H new ATOM 0 HD1 TRP A 15 7.506 16.178 -2.582 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.016 16.604 -2.136 1.00 0.00 H new ATOM 0 HE3 TRP A 15 8.506 19.260 -6.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.157 18.099 -3.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.786 20.168 -6.870 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.612 19.592 -5.294 1.00 0.00 H new ATOM 236 N GLN A 16 3.025 17.507 -4.145 1.00 0.00 N ATOM 237 CA GLN A 16 1.696 17.809 -4.748 1.00 0.00 C ATOM 238 C GLN A 16 0.678 16.817 -4.177 1.00 0.00 C ATOM 239 O GLN A 16 0.225 15.925 -4.866 1.00 0.00 O ATOM 240 CB GLN A 16 1.779 17.633 -6.270 1.00 0.00 C ATOM 241 CG GLN A 16 2.587 16.371 -6.599 1.00 0.00 C ATOM 242 CD GLN A 16 2.333 15.961 -8.051 1.00 0.00 C ATOM 243 OE1 GLN A 16 1.687 14.965 -8.310 1.00 0.00 O ATOM 244 NE2 GLN A 16 2.819 16.692 -9.017 1.00 0.00 N ATOM 0 H GLN A 16 3.026 16.739 -3.474 1.00 0.00 H new ATOM 0 HA GLN A 16 1.398 18.832 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.777 17.556 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.249 18.506 -6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.650 16.557 -6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.304 15.561 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.361 17.528 -8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.656 16.427 -9.988 1.00 0.00 H new ATOM 253 N MET A 17 0.335 16.932 -2.917 1.00 0.00 N ATOM 254 CA MET A 17 -0.621 15.948 -2.339 1.00 0.00 C ATOM 255 C MET A 17 -1.986 16.118 -3.008 1.00 0.00 C ATOM 256 O MET A 17 -2.915 15.378 -2.756 1.00 0.00 O ATOM 257 CB MET A 17 -0.748 16.178 -0.833 1.00 0.00 C ATOM 258 CG MET A 17 -0.913 17.676 -0.565 1.00 0.00 C ATOM 259 SD MET A 17 -1.443 17.936 1.146 1.00 0.00 S ATOM 260 CE MET A 17 -1.799 19.705 1.004 1.00 0.00 C ATOM 0 H MET A 17 0.670 17.652 -2.277 1.00 0.00 H new ATOM 0 HA MET A 17 -0.255 14.936 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.604 15.630 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.136 15.800 -0.319 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.029 18.193 -0.746 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.647 18.099 -1.251 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.149 20.084 1.964 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.893 20.236 0.712 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.570 19.862 0.250 1.00 0.00 H new ATOM 270 N LYS A 18 -2.106 17.100 -3.860 1.00 0.00 N ATOM 271 CA LYS A 18 -3.402 17.341 -4.554 1.00 0.00 C ATOM 272 C LYS A 18 -3.717 16.154 -5.461 1.00 0.00 C ATOM 273 O LYS A 18 -4.756 16.102 -6.090 1.00 0.00 O ATOM 274 CB LYS A 18 -3.310 18.620 -5.393 1.00 0.00 C ATOM 275 CG LYS A 18 -2.101 18.540 -6.329 1.00 0.00 C ATOM 276 CD LYS A 18 -1.859 19.905 -6.981 1.00 0.00 C ATOM 277 CE LYS A 18 -3.022 20.255 -7.914 1.00 0.00 C ATOM 278 NZ LYS A 18 -2.592 21.326 -8.858 1.00 0.00 N ATOM 0 H LYS A 18 -1.358 17.748 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.194 17.456 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.223 18.751 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.219 19.488 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.217 18.231 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.273 17.785 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.756 20.671 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.925 19.888 -7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.337 19.371 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.881 20.590 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.380 21.566 -9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.311 22.171 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.784 20.989 -9.420 1.00 0.00 H new ATOM 292 N ASP A 19 -2.833 15.187 -5.516 1.00 0.00 N ATOM 293 CA ASP A 19 -3.081 13.980 -6.367 1.00 0.00 C ATOM 294 C ASP A 19 -3.561 12.837 -5.473 1.00 0.00 C ATOM 295 O ASP A 19 -4.488 12.121 -5.813 1.00 0.00 O ATOM 296 CB ASP A 19 -1.800 13.579 -7.101 1.00 0.00 C ATOM 297 CG ASP A 19 -2.071 12.352 -7.973 1.00 0.00 C ATOM 298 OD1 ASP A 19 -3.018 12.392 -8.741 1.00 0.00 O ATOM 299 OD2 ASP A 19 -1.327 11.392 -7.858 1.00 0.00 O ATOM 0 H ASP A 19 -1.949 15.181 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.844 14.206 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.449 14.406 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.010 13.360 -6.382 1.00 0.00 H new ATOM 304 N LEU A 20 -3.001 12.684 -4.300 1.00 0.00 N ATOM 305 CA LEU A 20 -3.508 11.613 -3.403 1.00 0.00 C ATOM 306 C LEU A 20 -4.801 12.129 -2.785 1.00 0.00 C ATOM 307 O LEU A 20 -5.557 11.398 -2.177 1.00 0.00 O ATOM 308 CB LEU A 20 -2.482 11.265 -2.316 1.00 0.00 C ATOM 309 CG LEU A 20 -2.073 12.526 -1.530 1.00 0.00 C ATOM 310 CD1 LEU A 20 -3.187 12.961 -0.546 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.779 12.229 -0.758 1.00 0.00 C ATOM 0 H LEU A 20 -2.231 13.243 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.685 10.696 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.903 10.526 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.601 10.813 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.914 13.344 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.868 13.853 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.099 13.180 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.379 12.157 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.479 13.114 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.949 11.402 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.010 11.959 -1.460 1.00 0.00 H new ATOM 323 N GLN A 21 -5.078 13.396 -2.987 1.00 0.00 N ATOM 324 CA GLN A 21 -6.340 13.988 -2.473 1.00 0.00 C ATOM 325 C GLN A 21 -7.400 13.720 -3.538 1.00 0.00 C ATOM 326 O GLN A 21 -8.482 13.246 -3.262 1.00 0.00 O ATOM 327 CB GLN A 21 -6.153 15.497 -2.279 1.00 0.00 C ATOM 328 CG GLN A 21 -7.317 16.066 -1.465 1.00 0.00 C ATOM 329 CD GLN A 21 -7.240 15.551 -0.027 1.00 0.00 C ATOM 330 OE1 GLN A 21 -6.165 15.351 0.503 1.00 0.00 O ATOM 331 NE2 GLN A 21 -8.344 15.328 0.632 1.00 0.00 N ATOM 0 H GLN A 21 -4.474 14.045 -3.491 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.630 13.559 -1.514 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.210 15.693 -1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.099 15.993 -3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.281 17.155 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.266 15.774 -1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.246 15.496 0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.305 14.986 1.592 1.00 0.00 H new ATOM 340 N ALA A 22 -7.055 13.984 -4.772 1.00 0.00 N ATOM 341 CA ALA A 22 -7.980 13.707 -5.907 1.00 0.00 C ATOM 342 C ALA A 22 -8.583 12.315 -5.711 1.00 0.00 C ATOM 343 O ALA A 22 -9.722 12.025 -6.064 1.00 0.00 O ATOM 344 CB ALA A 22 -7.143 13.677 -7.189 1.00 0.00 C ATOM 0 H ALA A 22 -6.158 14.386 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.765 14.462 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.791 13.476 -8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.652 14.640 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.389 12.893 -7.113 1.00 0.00 H new ATOM 350 N ILE A 23 -7.791 11.466 -5.095 1.00 0.00 N ATOM 351 CA ILE A 23 -8.213 10.070 -4.801 1.00 0.00 C ATOM 352 C ILE A 23 -8.905 10.049 -3.434 1.00 0.00 C ATOM 353 O ILE A 23 -9.804 9.269 -3.205 1.00 0.00 O ATOM 354 CB ILE A 23 -6.948 9.166 -4.788 1.00 0.00 C ATOM 355 CG1 ILE A 23 -6.589 8.715 -6.230 1.00 0.00 C ATOM 356 CG2 ILE A 23 -7.154 7.924 -3.884 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.797 9.816 -6.943 1.00 0.00 C ATOM 0 H ILE A 23 -6.849 11.695 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.907 9.701 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.125 9.753 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.002 7.797 -6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.499 8.492 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.252 7.312 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.360 8.247 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.995 7.339 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.550 9.490 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.398 10.724 -6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.878 10.018 -6.392 1.00 0.00 H new ATOM 369 N LYS A 24 -8.551 10.952 -2.561 1.00 0.00 N ATOM 370 CA LYS A 24 -9.224 11.041 -1.236 1.00 0.00 C ATOM 371 C LYS A 24 -10.499 11.853 -1.424 1.00 0.00 C ATOM 372 O LYS A 24 -11.225 12.091 -0.497 1.00 0.00 O ATOM 373 CB LYS A 24 -8.299 11.709 -0.202 1.00 0.00 C ATOM 374 CG LYS A 24 -8.674 11.255 1.214 1.00 0.00 C ATOM 375 CD LYS A 24 -7.770 11.954 2.230 1.00 0.00 C ATOM 376 CE LYS A 24 -8.218 11.589 3.647 1.00 0.00 C ATOM 377 NZ LYS A 24 -9.649 11.963 3.826 1.00 0.00 N ATOM 0 H LYS A 24 -7.814 11.641 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.461 10.045 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.261 11.451 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.380 12.793 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.718 11.490 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.568 10.174 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.733 11.655 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.814 13.034 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.086 10.521 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.601 12.108 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.804 12.285 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.893 12.729 3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.250 11.136 3.635 1.00 0.00 H new ATOM 391 N GLN A 25 -10.803 12.231 -2.625 1.00 0.00 N ATOM 392 CA GLN A 25 -12.071 12.977 -2.881 1.00 0.00 C ATOM 393 C GLN A 25 -13.141 12.003 -3.390 1.00 0.00 C ATOM 394 O GLN A 25 -14.079 11.675 -2.678 1.00 0.00 O ATOM 395 CB GLN A 25 -11.832 14.069 -3.924 1.00 0.00 C ATOM 396 CG GLN A 25 -11.049 15.217 -3.285 1.00 0.00 C ATOM 397 CD GLN A 25 -11.936 15.945 -2.271 1.00 0.00 C ATOM 398 OE1 GLN A 25 -11.790 15.762 -1.079 1.00 0.00 O ATOM 399 NE2 GLN A 25 -12.855 16.767 -2.696 1.00 0.00 N ATOM 0 H GLN A 25 -10.229 12.058 -3.450 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.410 13.439 -1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.279 13.664 -4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.784 14.434 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.157 14.831 -2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.712 15.913 -4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.978 16.921 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.451 17.256 -2.028 1.00 0.00 H new ATOM 408 N GLU A 26 -13.041 11.555 -4.608 1.00 0.00 N ATOM 409 CA GLU A 26 -14.098 10.632 -5.136 1.00 0.00 C ATOM 410 C GLU A 26 -14.186 9.348 -4.300 1.00 0.00 C ATOM 411 O GLU A 26 -15.193 8.643 -4.323 1.00 0.00 O ATOM 412 CB GLU A 26 -13.770 10.256 -6.585 1.00 0.00 C ATOM 413 CG GLU A 26 -13.507 11.521 -7.406 1.00 0.00 C ATOM 414 CD GLU A 26 -13.014 11.128 -8.799 1.00 0.00 C ATOM 415 OE1 GLU A 26 -13.838 10.744 -9.612 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.819 11.217 -9.030 1.00 0.00 O ATOM 0 H GLU A 26 -12.288 11.780 -5.258 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.055 11.150 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.895 9.606 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.597 9.695 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.419 12.113 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.764 12.144 -6.907 1.00 0.00 H new ATOM 423 N VAL A 27 -13.224 9.078 -3.463 1.00 0.00 N ATOM 424 CA VAL A 27 -13.352 7.877 -2.595 1.00 0.00 C ATOM 425 C VAL A 27 -13.782 8.348 -1.216 1.00 0.00 C ATOM 426 O VAL A 27 -14.461 7.626 -0.517 1.00 0.00 O ATOM 427 CB VAL A 27 -12.033 7.084 -2.501 1.00 0.00 C ATOM 428 CG1 VAL A 27 -11.354 7.012 -3.872 1.00 0.00 C ATOM 429 CG2 VAL A 27 -11.090 7.746 -1.483 1.00 0.00 C ATOM 0 H VAL A 27 -12.371 9.625 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 27 -14.090 7.201 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.260 6.071 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.424 6.449 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.017 6.515 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.137 8.021 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.161 7.178 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.872 8.766 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.567 7.764 -0.503 1.00 0.00 H new ATOM 439 N SER A 28 -13.323 9.497 -0.758 1.00 0.00 N ATOM 440 CA SER A 28 -13.677 9.876 0.634 1.00 0.00 C ATOM 441 C SER A 28 -15.162 9.612 0.839 1.00 0.00 C ATOM 442 O SER A 28 -15.596 9.168 1.883 1.00 0.00 O ATOM 443 CB SER A 28 -13.366 11.350 0.925 1.00 0.00 C ATOM 444 OG SER A 28 -12.070 11.444 1.503 1.00 0.00 O ATOM 0 H SER A 28 -12.742 10.158 -1.273 1.00 0.00 H new ATOM 0 HA SER A 28 -13.077 9.279 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.411 11.933 0.005 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.112 11.765 1.603 1.00 0.00 H new ATOM 0 HG SER A 28 -11.476 11.934 0.897 1.00 0.00 H new ATOM 450 N GLN A 29 -15.962 9.928 -0.176 1.00 0.00 N ATOM 451 CA GLN A 29 -17.432 9.738 -0.042 1.00 0.00 C ATOM 452 C GLN A 29 -17.797 8.285 -0.366 1.00 0.00 C ATOM 453 O GLN A 29 -18.794 7.798 0.124 1.00 0.00 O ATOM 454 CB GLN A 29 -18.163 10.699 -0.987 1.00 0.00 C ATOM 455 CG GLN A 29 -18.031 12.135 -0.471 1.00 0.00 C ATOM 456 CD GLN A 29 -18.369 13.117 -1.598 1.00 0.00 C ATOM 457 OE1 GLN A 29 -17.500 13.795 -2.109 1.00 0.00 O ATOM 458 NE2 GLN A 29 -19.603 13.219 -2.011 1.00 0.00 N ATOM 0 H GLN A 29 -15.650 10.303 -1.072 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.736 9.954 0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.746 10.624 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -19.215 10.424 -1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.700 12.292 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -17.017 12.312 -0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -20.333 12.650 -1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.837 13.868 -2.762 1.00 0.00 H new ATOM 467 N ALA A 30 -17.024 7.607 -1.224 1.00 0.00 N ATOM 468 CA ALA A 30 -17.361 6.169 -1.580 1.00 0.00 C ATOM 469 C ALA A 30 -17.935 5.427 -0.356 1.00 0.00 C ATOM 470 O ALA A 30 -17.983 5.938 0.743 1.00 0.00 O ATOM 471 CB ALA A 30 -16.106 5.410 -2.048 1.00 0.00 C ATOM 0 H ALA A 30 -16.193 7.983 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 30 -18.098 6.200 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.374 4.383 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.691 5.901 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.363 5.408 -1.250 1.00 0.00 H new ATOM 477 N ALA A 31 -18.289 4.187 -0.509 1.00 0.00 N ATOM 478 CA ALA A 31 -18.783 3.444 0.677 1.00 0.00 C ATOM 479 C ALA A 31 -17.596 3.334 1.639 1.00 0.00 C ATOM 480 O ALA A 31 -16.479 3.536 1.217 1.00 0.00 O ATOM 481 CB ALA A 31 -19.281 2.047 0.245 1.00 0.00 C ATOM 0 H ALA A 31 -18.260 3.664 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.620 3.951 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.643 1.504 1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.091 2.156 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.461 1.494 -0.212 1.00 0.00 H new ATOM 487 N PRO A 32 -17.848 3.015 2.888 1.00 0.00 N ATOM 488 CA PRO A 32 -16.755 2.871 3.865 1.00 0.00 C ATOM 489 C PRO A 32 -15.743 1.863 3.301 1.00 0.00 C ATOM 490 O PRO A 32 -15.738 0.698 3.648 1.00 0.00 O ATOM 491 CB PRO A 32 -17.443 2.366 5.157 1.00 0.00 C ATOM 492 CG PRO A 32 -18.977 2.323 4.881 1.00 0.00 C ATOM 493 CD PRO A 32 -19.203 2.777 3.420 1.00 0.00 C ATOM 0 HA PRO A 32 -16.207 3.791 4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.074 1.377 5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -17.222 3.028 5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -19.365 1.316 5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.509 2.977 5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -19.726 2.013 2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -19.810 3.681 3.376 1.00 0.00 H new ATOM 501 N GLY A 33 -14.913 2.306 2.391 1.00 0.00 N ATOM 502 CA GLY A 33 -13.926 1.397 1.747 1.00 0.00 C ATOM 503 C GLY A 33 -14.498 0.940 0.409 1.00 0.00 C ATOM 504 O GLY A 33 -14.342 1.578 -0.611 1.00 0.00 O ATOM 0 H GLY A 33 -14.880 3.272 2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.977 1.911 1.598 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.726 0.538 2.388 1.00 0.00 H new ATOM 508 N SER A 34 -15.186 -0.152 0.425 1.00 0.00 N ATOM 509 CA SER A 34 -15.813 -0.677 -0.812 1.00 0.00 C ATOM 510 C SER A 34 -14.733 -0.881 -1.885 1.00 0.00 C ATOM 511 O SER A 34 -13.626 -0.412 -1.715 1.00 0.00 O ATOM 512 CB SER A 34 -16.860 0.344 -1.279 1.00 0.00 C ATOM 513 OG SER A 34 -16.547 0.807 -2.588 1.00 0.00 O ATOM 0 H SER A 34 -15.346 -0.718 1.258 1.00 0.00 H new ATOM 0 HA SER A 34 -16.294 -1.638 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.850 -0.112 -1.274 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.893 1.185 -0.586 1.00 0.00 H new ATOM 0 HG SER A 34 -17.222 1.456 -2.875 1.00 0.00 H new ATOM 519 N PRO A 35 -15.056 -1.570 -2.953 1.00 0.00 N ATOM 520 CA PRO A 35 -14.065 -1.806 -4.013 1.00 0.00 C ATOM 521 C PRO A 35 -13.643 -0.459 -4.614 1.00 0.00 C ATOM 522 O PRO A 35 -12.479 -0.184 -4.796 1.00 0.00 O ATOM 523 CB PRO A 35 -14.792 -2.684 -5.054 1.00 0.00 C ATOM 524 CG PRO A 35 -16.268 -2.845 -4.574 1.00 0.00 C ATOM 525 CD PRO A 35 -16.388 -2.159 -3.191 1.00 0.00 C ATOM 0 HA PRO A 35 -13.159 -2.295 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.757 -2.220 -6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.308 -3.657 -5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.955 -2.390 -5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.535 -3.899 -4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.165 -1.395 -3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.649 -2.877 -2.413 1.00 0.00 H new ATOM 533 N GLN A 36 -14.612 0.368 -4.915 1.00 0.00 N ATOM 534 CA GLN A 36 -14.351 1.716 -5.512 1.00 0.00 C ATOM 535 C GLN A 36 -13.022 2.299 -5.029 1.00 0.00 C ATOM 536 O GLN A 36 -12.277 2.902 -5.785 1.00 0.00 O ATOM 537 CB GLN A 36 -15.470 2.662 -5.073 1.00 0.00 C ATOM 538 CG GLN A 36 -16.781 2.269 -5.756 1.00 0.00 C ATOM 539 CD GLN A 36 -17.882 3.249 -5.343 1.00 0.00 C ATOM 540 OE1 GLN A 36 -17.987 3.611 -4.188 1.00 0.00 O ATOM 541 NE2 GLN A 36 -18.712 3.697 -6.244 1.00 0.00 N ATOM 0 H GLN A 36 -15.600 0.160 -4.768 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.311 1.609 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.588 2.622 -3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.211 3.689 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.657 2.279 -6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.059 1.253 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -18.624 3.394 -7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -19.449 4.351 -5.979 1.00 0.00 H new ATOM 550 N PHE A 37 -12.743 2.170 -3.764 1.00 0.00 N ATOM 551 CA PHE A 37 -11.496 2.769 -3.225 1.00 0.00 C ATOM 552 C PHE A 37 -10.320 2.324 -4.112 1.00 0.00 C ATOM 553 O PHE A 37 -9.420 3.069 -4.440 1.00 0.00 O ATOM 554 CB PHE A 37 -11.296 2.244 -1.781 1.00 0.00 C ATOM 555 CG PHE A 37 -11.053 3.387 -0.809 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.771 3.926 -0.670 1.00 0.00 C ATOM 557 CD2 PHE A 37 -12.107 3.890 -0.035 1.00 0.00 C ATOM 558 CE1 PHE A 37 -9.538 4.963 0.240 1.00 0.00 C ATOM 559 CE2 PHE A 37 -11.876 4.931 0.873 1.00 0.00 C ATOM 560 CZ PHE A 37 -10.590 5.465 1.013 1.00 0.00 C ATOM 0 H PHE A 37 -13.322 1.678 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 37 -11.552 3.858 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.176 1.681 -1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.451 1.556 -1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.958 3.541 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.099 3.475 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.546 5.376 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.690 5.322 1.465 1.00 0.00 H new ATOM 0 HZ PHE A 37 -10.410 6.264 1.717 1.00 0.00 H new ATOM 570 N MET A 38 -10.356 1.048 -4.447 1.00 0.00 N ATOM 571 CA MET A 38 -9.286 0.404 -5.265 1.00 0.00 C ATOM 572 C MET A 38 -9.137 1.102 -6.607 1.00 0.00 C ATOM 573 O MET A 38 -8.054 1.449 -7.008 1.00 0.00 O ATOM 574 CB MET A 38 -9.651 -1.073 -5.507 1.00 0.00 C ATOM 575 CG MET A 38 -8.753 -1.688 -6.596 1.00 0.00 C ATOM 576 SD MET A 38 -7.019 -1.298 -6.264 1.00 0.00 S ATOM 577 CE MET A 38 -6.311 -2.629 -7.267 1.00 0.00 C ATOM 0 H MET A 38 -11.108 0.415 -4.175 1.00 0.00 H new ATOM 0 HA MET A 38 -8.343 0.479 -4.723 1.00 0.00 H new ATOM 0 HB2 MET A 38 -9.542 -1.635 -4.580 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.696 -1.149 -5.806 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.892 -2.769 -6.625 1.00 0.00 H new ATOM 0 HG3 MET A 38 -9.040 -1.303 -7.575 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.394 -2.279 -7.742 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.086 -3.484 -6.630 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.026 -2.926 -8.034 1.00 0.00 H new ATOM 587 N GLN A 39 -10.222 1.307 -7.300 1.00 0.00 N ATOM 588 CA GLN A 39 -10.158 1.973 -8.633 1.00 0.00 C ATOM 589 C GLN A 39 -9.196 3.156 -8.566 1.00 0.00 C ATOM 590 O GLN A 39 -8.299 3.306 -9.371 1.00 0.00 O ATOM 591 CB GLN A 39 -11.568 2.464 -8.992 1.00 0.00 C ATOM 592 CG GLN A 39 -11.675 2.685 -10.504 1.00 0.00 C ATOM 593 CD GLN A 39 -10.702 3.785 -10.933 1.00 0.00 C ATOM 594 OE1 GLN A 39 -10.725 4.875 -10.397 1.00 0.00 O ATOM 595 NE2 GLN A 39 -9.842 3.542 -11.884 1.00 0.00 N ATOM 0 H GLN A 39 -11.159 1.040 -6.998 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.802 1.275 -9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.310 1.733 -8.669 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.784 3.393 -8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.449 1.759 -11.034 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.695 2.964 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.824 2.626 -12.333 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.188 4.268 -12.178 1.00 0.00 H new ATOM 604 N THR A 40 -9.390 3.987 -7.590 1.00 0.00 N ATOM 605 CA THR A 40 -8.525 5.170 -7.402 1.00 0.00 C ATOM 606 C THR A 40 -7.163 4.737 -6.827 1.00 0.00 C ATOM 607 O THR A 40 -6.143 5.230 -7.269 1.00 0.00 O ATOM 608 CB THR A 40 -9.258 6.119 -6.462 1.00 0.00 C ATOM 609 OG1 THR A 40 -10.049 5.336 -5.582 1.00 0.00 O ATOM 610 CG2 THR A 40 -10.176 7.072 -7.235 1.00 0.00 C ATOM 0 H THR A 40 -10.132 3.891 -6.897 1.00 0.00 H new ATOM 0 HA THR A 40 -8.325 5.673 -8.348 1.00 0.00 H new ATOM 0 HB THR A 40 -8.527 6.718 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.469 4.742 -5.061 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.684 7.735 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.582 7.665 -7.931 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.916 6.495 -7.790 1.00 0.00 H new ATOM 618 N ILE A 41 -7.087 3.831 -5.907 1.00 0.00 N ATOM 619 CA ILE A 41 -5.725 3.428 -5.424 1.00 0.00 C ATOM 620 C ILE A 41 -5.106 2.490 -6.467 1.00 0.00 C ATOM 621 O ILE A 41 -3.973 2.066 -6.347 1.00 0.00 O ATOM 622 CB ILE A 41 -5.817 2.729 -4.064 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.615 3.601 -3.078 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.413 2.467 -3.511 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.731 4.711 -2.479 1.00 0.00 C ATOM 0 H ILE A 41 -7.877 3.356 -5.471 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.101 4.313 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.330 1.776 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.467 4.047 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.014 2.978 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.490 1.970 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.862 1.831 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.887 3.414 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.321 5.312 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.893 4.261 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.353 5.347 -3.280 1.00 0.00 H new ATOM 637 N ARG A 42 -5.842 2.175 -7.495 1.00 0.00 N ATOM 638 CA ARG A 42 -5.311 1.272 -8.557 1.00 0.00 C ATOM 639 C ARG A 42 -4.514 2.071 -9.591 1.00 0.00 C ATOM 640 O ARG A 42 -3.476 1.636 -10.054 1.00 0.00 O ATOM 641 CB ARG A 42 -6.473 0.594 -9.277 1.00 0.00 C ATOM 642 CG ARG A 42 -5.942 -0.442 -10.276 1.00 0.00 C ATOM 643 CD ARG A 42 -7.112 -1.054 -11.048 1.00 0.00 C ATOM 644 NE ARG A 42 -8.151 -1.522 -10.088 1.00 0.00 N ATOM 645 CZ ARG A 42 -9.352 -1.805 -10.515 1.00 0.00 C ATOM 646 NH1 ARG A 42 -9.641 -1.677 -11.781 1.00 0.00 N ATOM 647 NH2 ARG A 42 -10.262 -2.217 -9.676 1.00 0.00 N ATOM 0 H ARG A 42 -6.795 2.506 -7.648 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.664 0.532 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.127 0.110 -8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.073 1.340 -9.799 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.243 0.029 -10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.392 -1.222 -9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.537 -0.317 -11.729 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.763 -1.888 -11.657 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.924 -1.621 -9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.929 -1.356 -12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.579 -1.898 -12.115 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.035 -2.318 -8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.200 -2.438 -10.009 1.00 0.00 H new ATOM 661 N LEU A 43 -4.981 3.233 -9.972 1.00 0.00 N ATOM 662 CA LEU A 43 -4.240 4.031 -10.996 1.00 0.00 C ATOM 663 C LEU A 43 -3.244 4.962 -10.313 1.00 0.00 C ATOM 664 O LEU A 43 -2.331 5.458 -10.932 1.00 0.00 O ATOM 665 CB LEU A 43 -5.240 4.877 -11.801 1.00 0.00 C ATOM 666 CG LEU A 43 -5.929 4.026 -12.878 1.00 0.00 C ATOM 667 CD1 LEU A 43 -4.937 3.632 -13.991 1.00 0.00 C ATOM 668 CD2 LEU A 43 -6.519 2.768 -12.237 1.00 0.00 C ATOM 0 H LEU A 43 -5.838 3.662 -9.621 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.705 3.350 -11.658 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.988 5.300 -11.131 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.722 5.714 -12.269 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.727 4.617 -13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.451 3.030 -14.740 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.539 4.532 -14.459 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.118 3.055 -13.561 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.008 2.165 -13.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.722 2.188 -11.772 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.249 3.054 -11.479 1.00 0.00 H new ATOM 680 N ALA A 44 -3.394 5.199 -9.044 1.00 0.00 N ATOM 681 CA ALA A 44 -2.425 6.108 -8.348 1.00 0.00 C ATOM 682 C ALA A 44 -1.236 5.300 -7.829 1.00 0.00 C ATOM 683 O ALA A 44 -0.104 5.726 -7.956 1.00 0.00 O ATOM 684 CB ALA A 44 -3.116 6.850 -7.202 1.00 0.00 C ATOM 0 H ALA A 44 -4.133 4.812 -8.457 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.061 6.849 -9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.399 7.505 -6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.939 7.446 -7.598 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.504 6.128 -6.483 1.00 0.00 H new ATOM 690 N VAL A 45 -1.443 4.151 -7.267 1.00 0.00 N ATOM 691 CA VAL A 45 -0.274 3.372 -6.784 1.00 0.00 C ATOM 692 C VAL A 45 0.406 2.684 -7.972 1.00 0.00 C ATOM 693 O VAL A 45 1.592 2.432 -7.949 1.00 0.00 O ATOM 694 CB VAL A 45 -0.739 2.323 -5.773 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.417 1.376 -5.437 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.196 3.028 -4.496 1.00 0.00 C ATOM 0 H VAL A 45 -2.356 3.719 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 45 0.437 4.043 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.562 1.750 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.079 0.631 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.753 0.876 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.242 1.946 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.529 2.286 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.366 3.598 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.019 3.704 -4.728 1.00 0.00 H new ATOM 706 N GLN A 46 -0.312 2.387 -9.024 1.00 0.00 N ATOM 707 CA GLN A 46 0.340 1.719 -10.186 1.00 0.00 C ATOM 708 C GLN A 46 0.996 2.758 -11.096 1.00 0.00 C ATOM 709 O GLN A 46 1.860 2.437 -11.889 1.00 0.00 O ATOM 710 CB GLN A 46 -0.715 0.950 -10.980 1.00 0.00 C ATOM 711 CG GLN A 46 -1.366 -0.088 -10.070 1.00 0.00 C ATOM 712 CD GLN A 46 -2.570 -0.711 -10.780 1.00 0.00 C ATOM 713 OE1 GLN A 46 -3.032 -0.198 -11.780 1.00 0.00 O ATOM 714 NE2 GLN A 46 -3.101 -1.802 -10.302 1.00 0.00 N ATOM 0 H GLN A 46 -1.309 2.576 -9.128 1.00 0.00 H new ATOM 0 HA GLN A 46 1.105 1.035 -9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.468 1.636 -11.367 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.257 0.462 -11.840 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.644 -0.862 -9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.683 0.379 -9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.713 -2.233 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.904 -2.225 -10.768 1.00 0.00 H new ATOM 723 N GLN A 47 0.593 4.001 -11.011 1.00 0.00 N ATOM 724 CA GLN A 47 1.205 5.035 -11.903 1.00 0.00 C ATOM 725 C GLN A 47 2.471 5.615 -11.274 1.00 0.00 C ATOM 726 O GLN A 47 3.565 5.445 -11.774 1.00 0.00 O ATOM 727 CB GLN A 47 0.204 6.177 -12.131 1.00 0.00 C ATOM 728 CG GLN A 47 -0.860 5.739 -13.146 1.00 0.00 C ATOM 729 CD GLN A 47 -2.002 6.757 -13.168 1.00 0.00 C ATOM 730 OE1 GLN A 47 -1.923 7.823 -12.420 1.00 0.00 O flip ATOM 731 NE2 GLN A 47 -2.976 6.580 -13.873 1.00 0.00 N flip ATOM 0 H GLN A 47 -0.124 4.343 -10.371 1.00 0.00 H new ATOM 0 HA GLN A 47 1.461 4.559 -12.850 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.270 6.451 -11.189 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.725 7.062 -12.495 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.417 5.654 -14.138 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.244 4.753 -12.883 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.038 5.747 -14.458 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.732 7.265 -13.880 1.00 0.00 H new ATOM 740 N PHE A 48 2.317 6.330 -10.193 1.00 0.00 N ATOM 741 CA PHE A 48 3.493 6.964 -9.537 1.00 0.00 C ATOM 742 C PHE A 48 4.190 5.977 -8.602 1.00 0.00 C ATOM 743 O PHE A 48 5.189 6.320 -8.005 1.00 0.00 O ATOM 744 CB PHE A 48 3.025 8.171 -8.720 1.00 0.00 C ATOM 745 CG PHE A 48 2.330 9.162 -9.624 1.00 0.00 C ATOM 746 CD1 PHE A 48 0.961 9.028 -9.888 1.00 0.00 C ATOM 747 CD2 PHE A 48 3.053 10.216 -10.194 1.00 0.00 C ATOM 748 CE1 PHE A 48 0.316 9.949 -10.722 1.00 0.00 C ATOM 749 CE2 PHE A 48 2.407 11.137 -11.028 1.00 0.00 C ATOM 750 CZ PHE A 48 1.039 11.003 -11.292 1.00 0.00 C ATOM 0 H PHE A 48 1.422 6.502 -9.735 1.00 0.00 H new ATOM 0 HA PHE A 48 4.195 7.275 -10.311 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.347 7.847 -7.931 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.877 8.645 -8.233 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.403 8.214 -9.448 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.109 10.319 -9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.740 9.846 -10.926 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.964 11.951 -11.468 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.541 11.713 -11.936 1.00 0.00 H new ATOM 760 N ASP A 49 3.683 4.759 -8.485 1.00 0.00 N ATOM 761 CA ASP A 49 4.318 3.720 -7.587 1.00 0.00 C ATOM 762 C ASP A 49 5.292 4.345 -6.575 1.00 0.00 C ATOM 763 O ASP A 49 6.487 4.160 -6.695 1.00 0.00 O ATOM 764 CB ASP A 49 5.109 2.734 -8.440 1.00 0.00 C ATOM 765 CG ASP A 49 4.189 2.097 -9.483 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.503 1.149 -9.140 1.00 0.00 O ATOM 767 OD2 ASP A 49 4.187 2.569 -10.608 1.00 0.00 O ATOM 0 H ASP A 49 2.849 4.438 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 49 3.512 3.228 -7.043 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.934 3.247 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.547 1.962 -7.808 1.00 0.00 H new ATOM 772 N PRO A 50 4.777 5.077 -5.619 1.00 0.00 N ATOM 773 CA PRO A 50 5.637 5.729 -4.619 1.00 0.00 C ATOM 774 C PRO A 50 6.509 4.677 -3.918 1.00 0.00 C ATOM 775 O PRO A 50 6.264 3.491 -4.012 1.00 0.00 O ATOM 776 CB PRO A 50 4.657 6.416 -3.641 1.00 0.00 C ATOM 777 CG PRO A 50 3.221 6.239 -4.219 1.00 0.00 C ATOM 778 CD PRO A 50 3.327 5.311 -5.450 1.00 0.00 C ATOM 0 HA PRO A 50 6.326 6.453 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.729 5.970 -2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.900 7.473 -3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.557 5.808 -3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.800 7.204 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.791 4.376 -5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.895 5.777 -6.336 1.00 0.00 H new ATOM 786 N THR A 51 7.522 5.106 -3.218 1.00 0.00 N ATOM 787 CA THR A 51 8.406 4.133 -2.513 1.00 0.00 C ATOM 788 C THR A 51 7.671 3.576 -1.297 1.00 0.00 C ATOM 789 O THR A 51 6.680 4.125 -0.857 1.00 0.00 O ATOM 790 CB THR A 51 9.685 4.838 -2.053 1.00 0.00 C ATOM 791 OG1 THR A 51 9.348 5.925 -1.203 1.00 0.00 O ATOM 792 CG2 THR A 51 10.450 5.355 -3.271 1.00 0.00 C ATOM 0 H THR A 51 7.777 6.087 -3.103 1.00 0.00 H new ATOM 0 HA THR A 51 8.666 3.321 -3.192 1.00 0.00 H new ATOM 0 HB THR A 51 10.312 4.133 -1.506 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.146 6.469 -1.036 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.360 5.857 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.710 4.518 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.826 6.059 -3.821 1.00 0.00 H new ATOM 800 N ALA A 52 8.140 2.491 -0.745 1.00 0.00 N ATOM 801 CA ALA A 52 7.454 1.911 0.443 1.00 0.00 C ATOM 802 C ALA A 52 7.203 3.016 1.475 1.00 0.00 C ATOM 803 O ALA A 52 6.333 2.911 2.317 1.00 0.00 O ATOM 804 CB ALA A 52 8.332 0.819 1.057 1.00 0.00 C ATOM 0 H ALA A 52 8.965 1.983 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 52 6.501 1.477 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.830 0.395 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.506 0.035 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.286 1.248 1.363 1.00 0.00 H new ATOM 810 N LYS A 53 7.962 4.078 1.408 1.00 0.00 N ATOM 811 CA LYS A 53 7.779 5.200 2.373 1.00 0.00 C ATOM 812 C LYS A 53 6.309 5.620 2.394 1.00 0.00 C ATOM 813 O LYS A 53 5.587 5.338 3.338 1.00 0.00 O ATOM 814 CB LYS A 53 8.640 6.383 1.936 1.00 0.00 C ATOM 815 CG LYS A 53 10.105 5.942 1.867 1.00 0.00 C ATOM 816 CD LYS A 53 11.011 7.165 1.687 1.00 0.00 C ATOM 817 CE LYS A 53 12.459 6.771 1.987 1.00 0.00 C ATOM 818 NZ LYS A 53 13.354 7.933 1.726 1.00 0.00 N ATOM 0 H LYS A 53 8.704 4.216 0.722 1.00 0.00 H new ATOM 0 HA LYS A 53 8.077 4.878 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.311 6.747 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.529 7.208 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.376 5.409 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.246 5.249 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.929 7.546 0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.695 7.967 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.553 6.452 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.753 5.925 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.338 7.666 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.272 8.217 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.078 8.728 2.337 1.00 0.00 H new ATOM 832 N ASP A 54 5.849 6.288 1.361 1.00 0.00 N ATOM 833 CA ASP A 54 4.418 6.712 1.306 1.00 0.00 C ATOM 834 C ASP A 54 3.532 5.564 1.794 1.00 0.00 C ATOM 835 O ASP A 54 2.743 5.729 2.703 1.00 0.00 O ATOM 836 CB ASP A 54 4.057 7.059 -0.155 1.00 0.00 C ATOM 837 CG ASP A 54 3.015 8.185 -0.197 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.269 9.222 0.393 1.00 0.00 O ATOM 839 OD2 ASP A 54 1.984 7.988 -0.818 1.00 0.00 O ATOM 0 H ASP A 54 6.408 6.557 0.552 1.00 0.00 H new ATOM 0 HA ASP A 54 4.262 7.584 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.953 7.364 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.667 6.175 -0.659 1.00 0.00 H new ATOM 844 N LEU A 55 3.649 4.413 1.189 1.00 0.00 N ATOM 845 CA LEU A 55 2.804 3.251 1.612 1.00 0.00 C ATOM 846 C LEU A 55 2.744 3.193 3.144 1.00 0.00 C ATOM 847 O LEU A 55 1.759 2.779 3.724 1.00 0.00 O ATOM 848 CB LEU A 55 3.409 1.950 1.067 1.00 0.00 C ATOM 849 CG LEU A 55 3.010 1.768 -0.402 1.00 0.00 C ATOM 850 CD1 LEU A 55 3.499 2.964 -1.221 1.00 0.00 C ATOM 851 CD2 LEU A 55 3.642 0.485 -0.946 1.00 0.00 C ATOM 0 H LEU A 55 4.292 4.224 0.420 1.00 0.00 H new ATOM 0 HA LEU A 55 1.796 3.371 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.495 1.977 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.061 1.101 1.656 1.00 0.00 H new ATOM 0 HG LEU A 55 1.925 1.700 -0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.214 2.831 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.048 3.878 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.584 3.036 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.359 0.355 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.727 0.553 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.291 -0.368 -0.366 1.00 0.00 H new ATOM 863 N GLN A 56 3.794 3.607 3.798 1.00 0.00 N ATOM 864 CA GLN A 56 3.809 3.581 5.287 1.00 0.00 C ATOM 865 C GLN A 56 2.766 4.564 5.836 1.00 0.00 C ATOM 866 O GLN A 56 1.850 4.182 6.537 1.00 0.00 O ATOM 867 CB GLN A 56 5.210 3.975 5.783 1.00 0.00 C ATOM 868 CG GLN A 56 5.443 3.422 7.193 1.00 0.00 C ATOM 869 CD GLN A 56 4.372 3.964 8.142 1.00 0.00 C ATOM 870 OE1 GLN A 56 3.810 3.226 8.926 1.00 0.00 O ATOM 871 NE2 GLN A 56 4.065 5.232 8.105 1.00 0.00 N ATOM 0 H GLN A 56 4.645 3.963 3.363 1.00 0.00 H new ATOM 0 HA GLN A 56 3.566 2.578 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.968 3.588 5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.311 5.060 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.411 2.333 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.434 3.707 7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.537 5.852 7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.353 5.603 8.734 1.00 0.00 H new ATOM 880 N ASP A 57 2.905 5.828 5.536 1.00 0.00 N ATOM 881 CA ASP A 57 1.923 6.832 6.063 1.00 0.00 C ATOM 882 C ASP A 57 0.663 6.874 5.194 1.00 0.00 C ATOM 883 O ASP A 57 -0.229 7.662 5.437 1.00 0.00 O ATOM 884 CB ASP A 57 2.548 8.222 6.094 1.00 0.00 C ATOM 885 CG ASP A 57 1.656 9.164 6.904 1.00 0.00 C ATOM 886 OD1 ASP A 57 1.710 9.099 8.121 1.00 0.00 O ATOM 887 OD2 ASP A 57 0.934 9.936 6.294 1.00 0.00 O ATOM 0 H ASP A 57 3.649 6.211 4.953 1.00 0.00 H new ATOM 0 HA ASP A 57 1.651 6.528 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.543 8.175 6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.668 8.601 5.079 1.00 0.00 H new ATOM 892 N LEU A 58 0.552 6.024 4.213 1.00 0.00 N ATOM 893 CA LEU A 58 -0.687 6.017 3.375 1.00 0.00 C ATOM 894 C LEU A 58 -1.657 5.015 3.998 1.00 0.00 C ATOM 895 O LEU A 58 -2.859 5.135 3.885 1.00 0.00 O ATOM 896 CB LEU A 58 -0.340 5.599 1.938 1.00 0.00 C ATOM 897 CG LEU A 58 -1.561 5.792 0.992 1.00 0.00 C ATOM 898 CD1 LEU A 58 -1.086 6.261 -0.389 1.00 0.00 C ATOM 899 CD2 LEU A 58 -2.317 4.466 0.823 1.00 0.00 C ATOM 0 H LEU A 58 1.259 5.336 3.953 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.137 7.009 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.502 6.190 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.026 4.555 1.925 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.221 6.539 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.947 6.393 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.557 7.209 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.416 5.515 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.169 4.615 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.649 3.718 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.670 4.122 1.795 1.00 0.00 H new ATOM 911 N LEU A 59 -1.127 4.045 4.691 1.00 0.00 N ATOM 912 CA LEU A 59 -1.980 3.028 5.370 1.00 0.00 C ATOM 913 C LEU A 59 -2.243 3.491 6.806 1.00 0.00 C ATOM 914 O LEU A 59 -3.213 3.106 7.421 1.00 0.00 O ATOM 915 CB LEU A 59 -1.239 1.683 5.363 1.00 0.00 C ATOM 916 CG LEU A 59 -1.974 0.643 6.219 1.00 0.00 C ATOM 917 CD1 LEU A 59 -3.422 0.494 5.737 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.249 -0.703 6.093 1.00 0.00 C ATOM 0 H LEU A 59 -0.124 3.912 4.817 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.933 2.911 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.150 1.319 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.226 1.820 5.742 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.982 0.967 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.935 -0.246 6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.934 1.453 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.428 0.169 4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.762 -1.451 6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.247 -1.019 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.222 -0.597 6.442 1.00 0.00 H new ATOM 930 N GLN A 60 -1.387 4.309 7.352 1.00 0.00 N ATOM 931 CA GLN A 60 -1.597 4.789 8.753 1.00 0.00 C ATOM 932 C GLN A 60 -2.387 6.102 8.753 1.00 0.00 C ATOM 933 O GLN A 60 -2.989 6.468 9.743 1.00 0.00 O ATOM 934 CB GLN A 60 -0.239 5.047 9.397 1.00 0.00 C ATOM 935 CG GLN A 60 0.535 3.732 9.511 1.00 0.00 C ATOM 936 CD GLN A 60 1.763 3.940 10.399 1.00 0.00 C ATOM 937 OE1 GLN A 60 2.320 5.018 10.443 1.00 0.00 O ATOM 938 NE2 GLN A 60 2.211 2.945 11.115 1.00 0.00 N ATOM 0 H GLN A 60 -0.550 4.668 6.892 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.151 4.031 9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.327 5.763 8.801 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.372 5.489 10.385 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.105 2.956 9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.841 3.391 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.743 2.039 11.078 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.029 3.073 11.711 1.00 0.00 H new ATOM 947 N TYR A 61 -2.374 6.823 7.656 1.00 0.00 N ATOM 948 CA TYR A 61 -3.105 8.131 7.589 1.00 0.00 C ATOM 949 C TYR A 61 -4.368 7.995 6.735 1.00 0.00 C ATOM 950 O TYR A 61 -5.453 8.333 7.164 1.00 0.00 O ATOM 951 CB TYR A 61 -2.190 9.186 6.961 1.00 0.00 C ATOM 952 CG TYR A 61 -2.768 10.563 7.193 1.00 0.00 C ATOM 953 CD1 TYR A 61 -2.440 11.274 8.353 1.00 0.00 C ATOM 954 CD2 TYR A 61 -3.633 11.128 6.247 1.00 0.00 C ATOM 955 CE1 TYR A 61 -2.975 12.550 8.568 1.00 0.00 C ATOM 956 CE2 TYR A 61 -4.168 12.404 6.462 1.00 0.00 C ATOM 957 CZ TYR A 61 -3.840 13.115 7.623 1.00 0.00 C ATOM 958 OH TYR A 61 -4.367 14.372 7.834 1.00 0.00 O ATOM 0 H TYR A 61 -1.886 6.561 6.800 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.389 8.428 8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.192 9.122 7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.085 9.000 5.892 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.774 10.838 9.083 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.887 10.580 5.352 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.720 13.098 9.463 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.834 12.840 5.732 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.946 14.614 7.082 1.00 0.00 H new ATOM 968 N LEU A 62 -4.239 7.517 5.526 1.00 0.00 N ATOM 969 CA LEU A 62 -5.447 7.384 4.658 1.00 0.00 C ATOM 970 C LEU A 62 -6.415 6.382 5.289 1.00 0.00 C ATOM 971 O LEU A 62 -7.615 6.499 5.134 1.00 0.00 O ATOM 972 CB LEU A 62 -5.041 6.929 3.243 1.00 0.00 C ATOM 973 CG LEU A 62 -6.076 7.412 2.204 1.00 0.00 C ATOM 974 CD1 LEU A 62 -5.765 8.852 1.777 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.028 6.507 0.968 1.00 0.00 C ATOM 0 H LEU A 62 -3.360 7.216 5.105 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.941 8.352 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.056 7.325 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.965 5.842 3.212 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.067 7.373 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.502 9.181 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.802 9.506 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.770 8.893 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.760 6.851 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.031 6.544 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.259 5.482 1.258 1.00 0.00 H new ATOM 987 N CYS A 63 -5.915 5.424 6.029 1.00 0.00 N ATOM 988 CA CYS A 63 -6.817 4.439 6.708 1.00 0.00 C ATOM 989 C CYS A 63 -6.790 4.765 8.203 1.00 0.00 C ATOM 990 O CYS A 63 -6.838 5.915 8.591 1.00 0.00 O ATOM 991 CB CYS A 63 -6.289 3.021 6.469 1.00 0.00 C ATOM 992 SG CYS A 63 -5.668 2.897 4.772 1.00 0.00 S ATOM 0 H CYS A 63 -4.919 5.280 6.193 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.834 4.497 6.320 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.494 2.792 7.178 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.082 2.292 6.633 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.911 1.708 4.307 1.00 0.00 H new ATOM 998 N SER A 64 -6.667 3.778 9.048 1.00 0.00 N ATOM 999 CA SER A 64 -6.583 4.074 10.507 1.00 0.00 C ATOM 1000 C SER A 64 -5.993 2.870 11.247 1.00 0.00 C ATOM 1001 O SER A 64 -5.802 1.812 10.681 1.00 0.00 O ATOM 1002 CB SER A 64 -7.963 4.411 11.063 1.00 0.00 C ATOM 1003 OG SER A 64 -8.630 5.289 10.166 1.00 0.00 O ATOM 0 H SER A 64 -6.621 2.791 8.796 1.00 0.00 H new ATOM 0 HA SER A 64 -5.933 4.936 10.655 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.546 3.500 11.198 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.869 4.878 12.044 1.00 0.00 H new ATOM 0 HG SER A 64 -8.014 5.995 9.881 1.00 0.00 H new ATOM 1009 N SER A 65 -5.681 3.045 12.504 1.00 0.00 N ATOM 1010 CA SER A 65 -5.073 1.942 13.308 1.00 0.00 C ATOM 1011 C SER A 65 -5.721 0.595 12.976 1.00 0.00 C ATOM 1012 O SER A 65 -5.070 -0.309 12.493 1.00 0.00 O ATOM 1013 CB SER A 65 -5.263 2.238 14.795 1.00 0.00 C ATOM 1014 OG SER A 65 -4.543 3.416 15.135 1.00 0.00 O ATOM 0 H SER A 65 -5.823 3.916 13.015 1.00 0.00 H new ATOM 0 HA SER A 65 -4.012 1.884 13.065 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.322 2.367 15.019 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.911 1.397 15.393 1.00 0.00 H new ATOM 0 HG SER A 65 -4.664 3.610 16.088 1.00 0.00 H new ATOM 1020 N LEU A 66 -6.988 0.439 13.245 1.00 0.00 N ATOM 1021 CA LEU A 66 -7.658 -0.861 12.961 1.00 0.00 C ATOM 1022 C LEU A 66 -7.311 -1.355 11.553 1.00 0.00 C ATOM 1023 O LEU A 66 -6.617 -2.340 11.393 1.00 0.00 O ATOM 1024 CB LEU A 66 -9.176 -0.668 13.079 1.00 0.00 C ATOM 1025 CG LEU A 66 -9.914 -1.995 12.846 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.513 -3.024 13.917 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -11.424 -1.739 12.917 1.00 0.00 C ATOM 0 H LEU A 66 -7.589 1.157 13.650 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.313 -1.605 13.679 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.422 -0.278 14.067 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.511 0.072 12.352 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.647 -2.391 11.866 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.044 -3.959 13.740 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.439 -3.201 13.867 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.772 -2.642 14.904 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.960 -2.674 12.753 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.680 -1.342 13.899 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.707 -1.019 12.149 1.00 0.00 H new ATOM 1039 N VAL A 67 -7.855 -0.722 10.540 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.626 -1.185 9.130 1.00 0.00 C ATOM 1041 C VAL A 67 -6.203 -1.736 8.968 1.00 0.00 C ATOM 1042 O VAL A 67 -6.000 -2.871 8.583 1.00 0.00 O ATOM 1043 CB VAL A 67 -7.836 -0.021 8.164 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.786 -0.535 6.725 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -9.200 0.622 8.429 1.00 0.00 C ATOM 0 H VAL A 67 -8.452 0.101 10.628 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.338 -1.980 8.906 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.050 0.719 8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.936 0.296 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.815 -0.992 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.571 -1.276 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.351 1.453 7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.986 -0.119 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.236 0.990 9.454 1.00 0.00 H new ATOM 1055 N ALA A 68 -5.217 -0.931 9.282 1.00 0.00 N ATOM 1056 CA ALA A 68 -3.799 -1.382 9.178 1.00 0.00 C ATOM 1057 C ALA A 68 -3.638 -2.719 9.896 1.00 0.00 C ATOM 1058 O ALA A 68 -2.921 -3.595 9.455 1.00 0.00 O ATOM 1059 CB ALA A 68 -2.895 -0.344 9.847 1.00 0.00 C ATOM 0 H ALA A 68 -5.338 0.028 9.609 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.526 -1.494 8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.856 -0.666 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.012 0.617 9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.172 -0.243 10.896 1.00 0.00 H new ATOM 1065 N SER A 69 -4.305 -2.878 11.002 1.00 0.00 N ATOM 1066 CA SER A 69 -4.206 -4.150 11.764 1.00 0.00 C ATOM 1067 C SER A 69 -4.464 -5.335 10.835 1.00 0.00 C ATOM 1068 O SER A 69 -3.603 -6.164 10.607 1.00 0.00 O ATOM 1069 CB SER A 69 -5.258 -4.147 12.878 1.00 0.00 C ATOM 1070 OG SER A 69 -5.299 -2.859 13.479 1.00 0.00 O ATOM 0 H SER A 69 -4.919 -2.176 11.414 1.00 0.00 H new ATOM 0 HA SER A 69 -3.207 -4.239 12.191 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.236 -4.403 12.471 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.016 -4.903 13.625 1.00 0.00 H new ATOM 0 HG SER A 69 -5.712 -2.925 14.365 1.00 0.00 H new ATOM 1076 N LEU A 70 -5.659 -5.432 10.307 1.00 0.00 N ATOM 1077 CA LEU A 70 -5.987 -6.576 9.411 1.00 0.00 C ATOM 1078 C LEU A 70 -5.553 -6.297 7.962 1.00 0.00 C ATOM 1079 O LEU A 70 -5.294 -7.228 7.226 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.485 -6.911 9.475 1.00 0.00 C ATOM 1081 CG LEU A 70 -7.799 -7.669 10.768 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -7.567 -6.758 11.977 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -9.263 -8.119 10.743 1.00 0.00 C ATOM 0 H LEU A 70 -6.418 -4.768 10.459 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.427 -7.442 9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.073 -5.994 9.430 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.768 -7.514 8.612 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.145 -8.538 10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.793 -7.304 12.893 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.526 -6.434 11.994 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.217 -5.886 11.905 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.493 -8.660 11.661 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.911 -7.246 10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.428 -8.772 9.886 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.493 -5.078 7.501 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.101 -4.895 6.072 1.00 0.00 C ATOM 1097 C HIS A 71 -3.760 -5.638 5.830 1.00 0.00 C ATOM 1098 O HIS A 71 -3.605 -6.515 4.973 1.00 0.00 O ATOM 1099 CB HIS A 71 -4.937 -3.387 5.787 1.00 0.00 C ATOM 1100 CG HIS A 71 -3.964 -3.151 4.657 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -2.592 -3.120 4.859 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -4.148 -2.937 3.316 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -2.011 -2.896 3.667 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -2.915 -2.776 2.691 1.00 0.00 N ATOM 0 H HIS A 71 -5.690 -4.227 8.028 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.864 -5.300 5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.905 -2.954 5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.586 -2.880 6.686 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.106 -2.899 2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.944 -2.822 3.517 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.739 -2.604 1.701 1.00 0.00 H new ATOM 1112 N HIS A 72 -2.768 -5.251 6.602 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.430 -5.866 6.452 1.00 0.00 C ATOM 1114 C HIS A 72 -1.542 -7.343 6.797 1.00 0.00 C ATOM 1115 O HIS A 72 -0.964 -8.176 6.134 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.412 -5.170 7.358 1.00 0.00 C ATOM 1117 CG HIS A 72 0.910 -5.881 7.267 1.00 0.00 C ATOM 1118 ND1 HIS A 72 1.542 -6.113 6.055 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.733 -6.415 8.228 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.693 -6.761 6.316 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.858 -6.970 7.625 1.00 0.00 N ATOM 0 H HIS A 72 -2.838 -4.536 7.326 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.082 -5.754 5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.297 -4.128 7.060 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.767 -5.170 8.389 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.537 -6.406 9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.397 -7.074 5.559 1.00 0.00 H new ATOM 0 HE2 HIS A 72 3.640 -7.436 8.084 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.291 -7.683 7.828 1.00 0.00 N ATOM 1130 CA GLN A 73 -2.454 -9.128 8.191 1.00 0.00 C ATOM 1131 C GLN A 73 -2.560 -9.918 6.887 1.00 0.00 C ATOM 1132 O GLN A 73 -1.924 -10.933 6.714 1.00 0.00 O ATOM 1133 CB GLN A 73 -3.705 -9.308 9.038 1.00 0.00 C ATOM 1134 CG GLN A 73 -3.810 -10.736 9.554 1.00 0.00 C ATOM 1135 CD GLN A 73 -2.671 -11.012 10.537 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -2.343 -10.175 11.355 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -2.051 -12.159 10.495 1.00 0.00 N ATOM 0 H GLN A 73 -2.791 -7.026 8.427 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.605 -9.484 8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.683 -8.614 9.878 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.588 -9.065 8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.772 -10.886 10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.764 -11.438 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.325 -12.862 9.809 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.292 -12.353 11.148 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.338 -9.438 5.940 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.415 -10.161 4.639 1.00 0.00 C ATOM 1148 C GLN A 74 -1.967 -10.349 4.190 1.00 0.00 C ATOM 1149 O GLN A 74 -1.399 -11.417 4.307 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.160 -9.302 3.616 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.610 -9.109 4.069 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.357 -10.442 3.977 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.719 -11.019 4.983 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -6.602 -10.960 2.805 1.00 0.00 N ATOM 0 H GLN A 74 -3.909 -8.596 6.014 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.942 -11.111 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.669 -8.335 3.511 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.134 -9.780 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.635 -8.736 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.100 -8.362 3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.298 -10.476 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.097 -11.849 2.734 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.336 -9.253 3.770 1.00 0.00 N ATOM 1164 CA LEU A 75 0.129 -9.272 3.406 1.00 0.00 C ATOM 1165 C LEU A 75 0.906 -10.205 4.338 1.00 0.00 C ATOM 1166 O LEU A 75 1.473 -11.172 3.873 1.00 0.00 O ATOM 1167 CB LEU A 75 0.678 -7.832 3.549 1.00 0.00 C ATOM 1168 CG LEU A 75 0.439 -7.038 2.239 1.00 0.00 C ATOM 1169 CD1 LEU A 75 0.325 -5.541 2.545 1.00 0.00 C ATOM 1170 CD2 LEU A 75 1.608 -7.257 1.269 1.00 0.00 C ATOM 0 H LEU A 75 -1.784 -8.343 3.666 1.00 0.00 H new ATOM 0 HA LEU A 75 0.246 -9.633 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.188 -7.329 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.744 -7.862 3.776 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.486 -7.392 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.157 -4.992 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.511 -5.371 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.247 -5.194 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.430 -6.695 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.534 -6.914 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.692 -8.318 1.034 1.00 0.00 H new ATOM 1182 N ASP A 76 0.951 -9.928 5.625 1.00 0.00 N ATOM 1183 CA ASP A 76 1.705 -10.811 6.592 1.00 0.00 C ATOM 1184 C ASP A 76 1.856 -12.231 6.038 1.00 0.00 C ATOM 1185 O ASP A 76 2.930 -12.702 5.688 1.00 0.00 O ATOM 1186 CB ASP A 76 0.881 -10.907 7.885 1.00 0.00 C ATOM 1187 CG ASP A 76 1.734 -11.540 8.988 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.275 -12.608 8.753 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.832 -10.945 10.049 1.00 0.00 O ATOM 0 H ASP A 76 0.495 -9.122 6.053 1.00 0.00 H new ATOM 0 HA ASP A 76 2.693 -10.383 6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.549 -9.915 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.014 -11.505 7.715 1.00 0.00 H new ATOM 1194 N SER A 77 0.742 -12.902 5.947 1.00 0.00 N ATOM 1195 CA SER A 77 0.712 -14.282 5.427 1.00 0.00 C ATOM 1196 C SER A 77 0.704 -14.275 3.902 1.00 0.00 C ATOM 1197 O SER A 77 1.199 -15.194 3.282 1.00 0.00 O ATOM 1198 CB SER A 77 -0.565 -14.955 5.908 1.00 0.00 C ATOM 1199 OG SER A 77 -0.490 -15.163 7.313 1.00 0.00 O ATOM 0 H SER A 77 -0.169 -12.534 6.221 1.00 0.00 H new ATOM 0 HA SER A 77 1.594 -14.815 5.782 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.429 -14.335 5.667 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.703 -15.907 5.395 1.00 0.00 H new ATOM 0 HG SER A 77 -1.313 -15.595 7.624 1.00 0.00 H new ATOM 1205 N LEU A 78 0.125 -13.273 3.272 1.00 0.00 N ATOM 1206 CA LEU A 78 0.093 -13.291 1.786 1.00 0.00 C ATOM 1207 C LEU A 78 1.512 -13.553 1.306 1.00 0.00 C ATOM 1208 O LEU A 78 1.770 -14.455 0.540 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.436 -11.945 1.243 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.395 -12.189 0.078 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.180 -10.906 -0.221 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.597 -12.602 -1.159 1.00 0.00 C ATOM 0 H LEU A 78 -0.314 -12.467 3.717 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.577 -14.070 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.947 -11.399 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.397 -11.324 0.914 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.093 -12.984 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.863 -11.083 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.750 -10.614 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.486 -10.108 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.280 -12.776 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.102 -11.808 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.043 -13.516 -0.946 1.00 0.00 H new ATOM 1224 N ILE A 79 2.448 -12.802 1.830 1.00 0.00 N ATOM 1225 CA ILE A 79 3.870 -13.021 1.507 1.00 0.00 C ATOM 1226 C ILE A 79 4.171 -14.488 1.785 1.00 0.00 C ATOM 1227 O ILE A 79 4.622 -15.205 0.914 1.00 0.00 O ATOM 1228 CB ILE A 79 4.700 -12.104 2.440 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.859 -10.704 1.811 1.00 0.00 C ATOM 1230 CG2 ILE A 79 6.085 -12.695 2.728 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.586 -10.769 0.454 1.00 0.00 C ATOM 0 H ILE A 79 2.272 -12.035 2.479 1.00 0.00 H new ATOM 0 HA ILE A 79 4.109 -12.791 0.469 1.00 0.00 H new ATOM 0 HB ILE A 79 4.160 -12.024 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.876 -10.252 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.416 -10.060 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.637 -12.024 3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.973 -13.666 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.630 -12.817 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.679 -9.764 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.579 -11.197 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.015 -11.392 -0.235 1.00 0.00 H new ATOM 1243 N SER A 80 3.933 -14.946 2.993 1.00 0.00 N ATOM 1244 CA SER A 80 4.218 -16.378 3.294 1.00 0.00 C ATOM 1245 C SER A 80 3.662 -17.247 2.165 1.00 0.00 C ATOM 1246 O SER A 80 4.326 -18.139 1.666 1.00 0.00 O ATOM 1247 CB SER A 80 3.561 -16.779 4.614 1.00 0.00 C ATOM 1248 OG SER A 80 2.179 -17.025 4.397 1.00 0.00 O ATOM 0 H SER A 80 3.560 -14.398 3.768 1.00 0.00 H new ATOM 0 HA SER A 80 5.295 -16.520 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.042 -17.671 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.689 -15.987 5.352 1.00 0.00 H new ATOM 0 HG SER A 80 1.772 -16.246 3.963 1.00 0.00 H new ATOM 1254 N GLU A 81 2.447 -17.000 1.751 1.00 0.00 N ATOM 1255 CA GLU A 81 1.866 -17.822 0.665 1.00 0.00 C ATOM 1256 C GLU A 81 2.403 -17.375 -0.700 1.00 0.00 C ATOM 1257 O GLU A 81 2.412 -18.140 -1.643 1.00 0.00 O ATOM 1258 CB GLU A 81 0.344 -17.659 0.680 1.00 0.00 C ATOM 1259 CG GLU A 81 -0.284 -18.627 -0.325 1.00 0.00 C ATOM 1260 CD GLU A 81 -1.809 -18.557 -0.216 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -2.342 -19.122 0.724 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -2.417 -17.940 -1.075 1.00 0.00 O ATOM 0 H GLU A 81 1.840 -16.268 2.119 1.00 0.00 H new ATOM 0 HA GLU A 81 2.141 -18.864 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.043 -17.855 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.075 -16.633 0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.031 -18.372 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.059 -19.643 -0.130 1.00 0.00 H new ATOM 1269 N ALA A 82 2.769 -16.122 -0.851 1.00 0.00 N ATOM 1270 CA ALA A 82 3.196 -15.654 -2.206 1.00 0.00 C ATOM 1271 C ALA A 82 4.547 -16.249 -2.587 1.00 0.00 C ATOM 1272 O ALA A 82 4.823 -16.551 -3.726 1.00 0.00 O ATOM 1273 CB ALA A 82 3.323 -14.132 -2.202 1.00 0.00 C ATOM 0 H ALA A 82 2.790 -15.419 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 82 2.446 -15.976 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.634 -13.790 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.360 -13.687 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.066 -13.831 -1.463 1.00 0.00 H new ATOM 1279 N GLU A 83 5.415 -16.361 -1.611 1.00 0.00 N ATOM 1280 CA GLU A 83 6.783 -16.884 -1.877 1.00 0.00 C ATOM 1281 C GLU A 83 6.716 -18.394 -2.047 1.00 0.00 C ATOM 1282 O GLU A 83 7.453 -18.975 -2.818 1.00 0.00 O ATOM 1283 CB GLU A 83 7.720 -16.522 -0.718 1.00 0.00 C ATOM 1284 CG GLU A 83 7.184 -17.111 0.594 1.00 0.00 C ATOM 1285 CD GLU A 83 7.554 -18.594 0.689 1.00 0.00 C ATOM 1286 OE1 GLU A 83 8.727 -18.902 0.555 1.00 0.00 O ATOM 1287 OE2 GLU A 83 6.658 -19.396 0.894 1.00 0.00 O ATOM 0 H GLU A 83 5.230 -16.111 -0.640 1.00 0.00 H new ATOM 0 HA GLU A 83 7.174 -16.434 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.721 -16.905 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.804 -15.439 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.600 -16.568 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.101 -16.994 0.640 1.00 0.00 H new ATOM 1294 N THR A 84 5.816 -19.037 -1.359 1.00 0.00 N ATOM 1295 CA THR A 84 5.686 -20.506 -1.517 1.00 0.00 C ATOM 1296 C THR A 84 5.453 -20.792 -3.006 1.00 0.00 C ATOM 1297 O THR A 84 6.074 -21.654 -3.597 1.00 0.00 O ATOM 1298 CB THR A 84 4.474 -20.978 -0.676 1.00 0.00 C ATOM 1299 OG1 THR A 84 4.013 -19.884 0.095 1.00 0.00 O ATOM 1300 CG2 THR A 84 4.874 -22.115 0.274 1.00 0.00 C ATOM 0 H THR A 84 5.168 -18.609 -0.697 1.00 0.00 H new ATOM 0 HA THR A 84 6.579 -21.032 -1.178 1.00 0.00 H new ATOM 0 HB THR A 84 3.697 -21.343 -1.348 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.705 -19.622 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.005 -22.428 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.247 -22.959 -0.306 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.654 -21.766 0.951 1.00 0.00 H new ATOM 1308 N ARG A 85 4.530 -20.068 -3.597 1.00 0.00 N ATOM 1309 CA ARG A 85 4.190 -20.261 -5.038 1.00 0.00 C ATOM 1310 C ARG A 85 5.451 -20.515 -5.855 1.00 0.00 C ATOM 1311 O ARG A 85 5.485 -21.386 -6.702 1.00 0.00 O ATOM 1312 CB ARG A 85 3.488 -18.988 -5.560 1.00 0.00 C ATOM 1313 CG ARG A 85 3.579 -18.886 -7.105 1.00 0.00 C ATOM 1314 CD ARG A 85 4.941 -18.287 -7.565 1.00 0.00 C ATOM 1315 NE ARG A 85 4.705 -17.217 -8.589 1.00 0.00 N ATOM 1316 CZ ARG A 85 3.912 -17.418 -9.609 1.00 0.00 C ATOM 1317 NH1 ARG A 85 3.372 -18.589 -9.804 1.00 0.00 N ATOM 1318 NH2 ARG A 85 3.680 -16.449 -10.452 1.00 0.00 N ATOM 0 H ARG A 85 3.990 -19.339 -3.130 1.00 0.00 H new ATOM 0 HA ARG A 85 3.531 -21.124 -5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.442 -18.997 -5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.944 -18.107 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.451 -19.876 -7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.764 -18.265 -7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.474 -17.873 -6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.571 -19.072 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 85 5.172 -16.316 -8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.567 -19.355 -9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.754 -18.739 -10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.117 -15.538 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.062 -16.603 -11.249 1.00 0.00 H new ATOM 1332 N GLY A 86 6.491 -19.747 -5.617 1.00 0.00 N ATOM 1333 CA GLY A 86 7.764 -19.919 -6.389 1.00 0.00 C ATOM 1334 C GLY A 86 8.134 -18.590 -7.071 1.00 0.00 C ATOM 1335 O GLY A 86 8.300 -18.529 -8.273 1.00 0.00 O ATOM 0 H GLY A 86 6.511 -19.005 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.567 -20.234 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.645 -20.703 -7.137 1.00 0.00 H new ATOM 1339 N ILE A 87 8.281 -17.529 -6.314 1.00 0.00 N ATOM 1340 CA ILE A 87 8.658 -16.216 -6.927 1.00 0.00 C ATOM 1341 C ILE A 87 10.130 -16.279 -7.359 1.00 0.00 C ATOM 1342 O ILE A 87 10.452 -16.453 -8.517 1.00 0.00 O ATOM 1343 CB ILE A 87 8.469 -15.093 -5.882 1.00 0.00 C ATOM 1344 CG1 ILE A 87 6.977 -14.762 -5.755 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.235 -13.823 -6.301 1.00 0.00 C ATOM 1346 CD1 ILE A 87 6.739 -13.878 -4.526 1.00 0.00 C ATOM 0 H ILE A 87 8.157 -17.515 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 87 8.029 -16.010 -7.793 1.00 0.00 H new ATOM 0 HB ILE A 87 8.860 -15.439 -4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.632 -14.250 -6.653 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.398 -15.682 -5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.088 -13.046 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.298 -14.050 -6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.862 -13.474 -7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.677 -13.648 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.067 -14.405 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.304 -12.952 -4.629 1.00 0.00 H new ATOM 1358 N THR A 88 11.013 -16.128 -6.414 1.00 0.00 N ATOM 1359 CA THR A 88 12.474 -16.164 -6.724 1.00 0.00 C ATOM 1360 C THR A 88 13.234 -16.762 -5.544 1.00 0.00 C ATOM 1361 O THR A 88 14.258 -16.255 -5.132 1.00 0.00 O ATOM 1362 CB THR A 88 12.974 -14.739 -6.994 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.018 -14.049 -7.786 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.312 -14.791 -7.739 1.00 0.00 C ATOM 0 H THR A 88 10.786 -15.980 -5.431 1.00 0.00 H new ATOM 0 HA THR A 88 12.643 -16.780 -7.607 1.00 0.00 H new ATOM 0 HB THR A 88 13.111 -14.218 -6.046 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.333 -13.137 -7.959 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.663 -13.776 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.046 -15.321 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.180 -15.312 -8.687 1.00 0.00 H new ATOM 1372 N SER A 89 12.745 -17.835 -4.993 1.00 0.00 N ATOM 1373 CA SER A 89 13.456 -18.450 -3.840 1.00 0.00 C ATOM 1374 C SER A 89 13.715 -17.378 -2.781 1.00 0.00 C ATOM 1375 O SER A 89 14.517 -17.568 -1.902 1.00 0.00 O ATOM 1376 CB SER A 89 14.790 -19.029 -4.311 1.00 0.00 C ATOM 1377 OG SER A 89 15.755 -17.987 -4.381 1.00 0.00 O ATOM 0 H SER A 89 11.892 -18.310 -5.287 1.00 0.00 H new ATOM 0 HA SER A 89 12.845 -19.247 -3.417 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.126 -19.806 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.672 -19.497 -5.288 1.00 0.00 H new ATOM 0 HG SER A 89 15.492 -17.344 -5.072 1.00 0.00 H new ATOM 1383 N TYR A 90 12.970 -16.295 -2.847 1.00 0.00 N ATOM 1384 CA TYR A 90 13.039 -15.160 -1.851 1.00 0.00 C ATOM 1385 C TYR A 90 14.397 -14.960 -1.143 1.00 0.00 C ATOM 1386 O TYR A 90 15.145 -15.869 -0.869 1.00 0.00 O ATOM 1387 CB TYR A 90 11.973 -15.425 -0.776 1.00 0.00 C ATOM 1388 CG TYR A 90 11.940 -16.902 -0.467 1.00 0.00 C ATOM 1389 CD1 TYR A 90 11.205 -17.770 -1.284 1.00 0.00 C ATOM 1390 CD2 TYR A 90 12.647 -17.405 0.631 1.00 0.00 C ATOM 1391 CE1 TYR A 90 11.176 -19.141 -1.002 1.00 0.00 C ATOM 1392 CE2 TYR A 90 12.619 -18.776 0.913 1.00 0.00 C ATOM 1393 CZ TYR A 90 11.884 -19.644 0.097 1.00 0.00 C ATOM 1394 OH TYR A 90 11.856 -20.996 0.374 1.00 0.00 O ATOM 0 H TYR A 90 12.283 -16.142 -3.585 1.00 0.00 H new ATOM 0 HA TYR A 90 12.878 -14.247 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.200 -14.857 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 90 10.996 -15.092 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.660 -17.382 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.214 -16.736 1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.608 -19.810 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.165 -19.164 1.760 1.00 0.00 H new ATOM 0 HH TYR A 90 12.400 -21.178 1.169 1.00 0.00 H new ATOM 1404 N ASN A 91 14.648 -13.746 -0.731 1.00 0.00 N ATOM 1405 CA ASN A 91 15.866 -13.477 0.074 1.00 0.00 C ATOM 1406 C ASN A 91 15.971 -11.966 0.398 1.00 0.00 C ATOM 1407 O ASN A 91 16.303 -11.625 1.506 1.00 0.00 O ATOM 1408 CB ASN A 91 17.127 -14.063 -0.609 1.00 0.00 C ATOM 1409 CG ASN A 91 18.291 -13.060 -0.599 1.00 0.00 C ATOM 1410 OD1 ASN A 91 18.874 -12.797 0.434 1.00 0.00 O ATOM 1411 ND2 ASN A 91 18.651 -12.488 -1.716 1.00 0.00 N ATOM 0 H ASN A 91 14.061 -12.933 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 91 15.790 -13.992 1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 91 17.428 -14.977 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 91 16.891 -14.337 -1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.422 -11.820 -1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 91 18.161 -12.709 -2.583 1.00 0.00 H new ATOM 1418 N PRO A 92 15.670 -11.090 -0.533 1.00 0.00 N ATOM 1419 CA PRO A 92 15.721 -9.647 -0.232 1.00 0.00 C ATOM 1420 C PRO A 92 14.649 -9.314 0.810 1.00 0.00 C ATOM 1421 O PRO A 92 14.869 -8.529 1.710 1.00 0.00 O ATOM 1422 CB PRO A 92 15.462 -8.948 -1.584 1.00 0.00 C ATOM 1423 CG PRO A 92 15.392 -10.068 -2.666 1.00 0.00 C ATOM 1424 CD PRO A 92 15.298 -11.420 -1.923 1.00 0.00 C ATOM 0 HA PRO A 92 16.672 -9.322 0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.531 -8.381 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.259 -8.240 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.526 -9.924 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.275 -10.041 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.293 -11.837 -1.979 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.974 -12.159 -2.352 1.00 0.00 H new ATOM 1432 N LEU A 93 13.505 -9.943 0.724 1.00 0.00 N ATOM 1433 CA LEU A 93 12.452 -9.694 1.748 1.00 0.00 C ATOM 1434 C LEU A 93 13.096 -9.937 3.100 1.00 0.00 C ATOM 1435 O LEU A 93 13.103 -9.069 3.934 1.00 0.00 O ATOM 1436 CB LEU A 93 11.270 -10.650 1.524 1.00 0.00 C ATOM 1437 CG LEU A 93 11.033 -10.813 0.002 1.00 0.00 C ATOM 1438 CD1 LEU A 93 11.744 -12.073 -0.517 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.528 -10.912 -0.298 1.00 0.00 C ATOM 0 H LEU A 93 13.258 -10.612 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 93 12.064 -8.677 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.478 -11.619 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.373 -10.259 2.005 1.00 0.00 H new ATOM 0 HG LEU A 93 11.441 -9.938 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.569 -12.175 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.815 -11.989 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.354 -12.950 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.378 -11.026 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.110 -11.775 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.028 -10.006 0.044 1.00 0.00 H new ATOM 1451 N ALA A 94 13.630 -11.133 3.265 1.00 0.00 N ATOM 1452 CA ALA A 94 14.342 -11.565 4.526 1.00 0.00 C ATOM 1453 C ALA A 94 14.510 -10.387 5.487 1.00 0.00 C ATOM 1454 O ALA A 94 14.085 -10.415 6.624 1.00 0.00 O ATOM 1455 CB ALA A 94 15.721 -12.067 4.119 1.00 0.00 C ATOM 0 H ALA A 94 13.600 -11.857 2.547 1.00 0.00 H new ATOM 0 HA ALA A 94 13.763 -12.338 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.267 -12.389 5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 94 15.614 -12.908 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.270 -11.264 3.626 1.00 0.00 H new ATOM 1461 N GLY A 95 15.091 -9.329 4.988 1.00 0.00 N ATOM 1462 CA GLY A 95 15.259 -8.090 5.802 1.00 0.00 C ATOM 1463 C GLY A 95 13.855 -7.527 6.085 1.00 0.00 C ATOM 1464 O GLY A 95 12.897 -8.270 6.051 1.00 0.00 O ATOM 0 H GLY A 95 15.461 -9.270 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.778 -8.312 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.864 -7.359 5.266 1.00 0.00 H new ATOM 1468 N PRO A 96 13.739 -6.247 6.364 1.00 0.00 N ATOM 1469 CA PRO A 96 12.409 -5.668 6.632 1.00 0.00 C ATOM 1470 C PRO A 96 11.631 -5.624 5.299 1.00 0.00 C ATOM 1471 O PRO A 96 12.218 -5.826 4.254 1.00 0.00 O ATOM 1472 CB PRO A 96 12.706 -4.258 7.184 1.00 0.00 C ATOM 1473 CG PRO A 96 14.245 -4.021 7.043 1.00 0.00 C ATOM 1474 CD PRO A 96 14.871 -5.318 6.473 1.00 0.00 C ATOM 0 HA PRO A 96 11.802 -6.233 7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.148 -3.503 6.630 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.399 -4.181 8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.443 -3.178 6.381 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.685 -3.777 8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.337 -5.143 5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.645 -5.710 7.133 1.00 0.00 H new ATOM 1482 N LEU A 97 10.345 -5.359 5.278 1.00 0.00 N ATOM 1483 CA LEU A 97 9.646 -5.317 3.952 1.00 0.00 C ATOM 1484 C LEU A 97 10.047 -4.028 3.215 1.00 0.00 C ATOM 1485 O LEU A 97 10.533 -4.077 2.100 1.00 0.00 O ATOM 1486 CB LEU A 97 8.128 -5.366 4.154 1.00 0.00 C ATOM 1487 CG LEU A 97 7.792 -6.365 5.264 1.00 0.00 C ATOM 1488 CD1 LEU A 97 6.274 -6.467 5.418 1.00 0.00 C ATOM 1489 CD2 LEU A 97 8.360 -7.739 4.902 1.00 0.00 C ATOM 0 H LEU A 97 9.763 -5.175 6.095 1.00 0.00 H new ATOM 0 HA LEU A 97 9.939 -6.181 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.753 -4.376 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.636 -5.658 3.226 1.00 0.00 H new ATOM 0 HG LEU A 97 8.230 -6.025 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.035 -7.179 6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.868 -5.489 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.835 -6.806 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.121 -8.451 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.922 -8.078 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.442 -7.668 4.793 1.00 0.00 H new ATOM 1501 N ARG A 98 9.805 -2.877 3.807 1.00 0.00 N ATOM 1502 CA ARG A 98 10.156 -1.572 3.140 1.00 0.00 C ATOM 1503 C ARG A 98 11.498 -1.708 2.401 1.00 0.00 C ATOM 1504 O ARG A 98 11.798 -0.994 1.472 1.00 0.00 O ATOM 1505 CB ARG A 98 10.306 -0.492 4.223 1.00 0.00 C ATOM 1506 CG ARG A 98 8.924 -0.040 4.704 1.00 0.00 C ATOM 1507 CD ARG A 98 9.085 0.900 5.900 1.00 0.00 C ATOM 1508 NE ARG A 98 9.661 0.149 7.050 1.00 0.00 N ATOM 1509 CZ ARG A 98 10.160 0.795 8.068 1.00 0.00 C ATOM 1510 NH1 ARG A 98 10.155 2.100 8.079 1.00 0.00 N ATOM 1511 NH2 ARG A 98 10.665 0.137 9.076 1.00 0.00 N ATOM 0 H ARG A 98 9.377 -2.784 4.728 1.00 0.00 H new ATOM 0 HA ARG A 98 9.372 -1.305 2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.882 -0.883 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.859 0.359 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.394 0.467 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.324 -0.905 4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.735 1.734 5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.119 1.323 6.176 1.00 0.00 H new ATOM 0 HE ARG A 98 9.665 -0.871 7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.761 2.615 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.545 2.605 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.670 -0.883 9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.055 0.643 9.871 1.00 0.00 H new ATOM 1525 N VAL A 99 12.275 -2.659 2.827 1.00 0.00 N ATOM 1526 CA VAL A 99 13.597 -2.924 2.191 1.00 0.00 C ATOM 1527 C VAL A 99 13.371 -3.762 0.927 1.00 0.00 C ATOM 1528 O VAL A 99 13.984 -3.538 -0.098 1.00 0.00 O ATOM 1529 CB VAL A 99 14.509 -3.668 3.206 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.412 -4.696 2.497 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.399 -2.644 3.930 1.00 0.00 C ATOM 0 H VAL A 99 12.047 -3.278 3.605 1.00 0.00 H new ATOM 0 HA VAL A 99 14.089 -1.993 1.910 1.00 0.00 H new ATOM 0 HB VAL A 99 13.871 -4.195 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.038 -5.200 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.793 -5.431 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.045 -4.185 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.041 -3.160 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.016 -2.118 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.772 -1.927 4.459 1.00 0.00 H new ATOM 1541 N GLN A 100 12.507 -4.727 1.001 1.00 0.00 N ATOM 1542 CA GLN A 100 12.249 -5.585 -0.181 1.00 0.00 C ATOM 1543 C GLN A 100 11.979 -4.723 -1.425 1.00 0.00 C ATOM 1544 O GLN A 100 12.590 -4.920 -2.456 1.00 0.00 O ATOM 1545 CB GLN A 100 11.062 -6.534 0.127 1.00 0.00 C ATOM 1546 CG GLN A 100 9.712 -5.940 -0.308 1.00 0.00 C ATOM 1547 CD GLN A 100 8.584 -6.864 0.152 1.00 0.00 C ATOM 1548 OE1 GLN A 100 8.256 -6.906 1.321 1.00 0.00 O ATOM 1549 NE2 GLN A 100 7.973 -7.614 -0.724 1.00 0.00 N ATOM 0 H GLN A 100 11.965 -4.960 1.833 1.00 0.00 H new ATOM 0 HA GLN A 100 13.130 -6.190 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.219 -7.485 -0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.036 -6.745 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.583 -4.947 0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.684 -5.824 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.248 -7.579 -1.706 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.220 -8.235 -0.427 1.00 0.00 H new ATOM 1558 N ALA A 101 11.042 -3.802 -1.365 1.00 0.00 N ATOM 1559 CA ALA A 101 10.726 -2.985 -2.590 1.00 0.00 C ATOM 1560 C ALA A 101 11.568 -1.704 -2.658 1.00 0.00 C ATOM 1561 O ALA A 101 11.960 -1.287 -3.730 1.00 0.00 O ATOM 1562 CB ALA A 101 9.239 -2.626 -2.597 1.00 0.00 C ATOM 0 H ALA A 101 10.489 -3.581 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 101 10.970 -3.588 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.012 -2.035 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.644 -3.539 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.000 -2.048 -1.704 1.00 0.00 H new ATOM 1568 N ASN A 102 11.857 -1.066 -1.558 1.00 0.00 N ATOM 1569 CA ASN A 102 12.682 0.181 -1.636 1.00 0.00 C ATOM 1570 C ASN A 102 14.104 -0.188 -2.070 1.00 0.00 C ATOM 1571 O ASN A 102 15.073 0.358 -1.579 1.00 0.00 O ATOM 1572 CB ASN A 102 12.734 0.868 -0.269 1.00 0.00 C ATOM 1573 CG ASN A 102 13.290 2.284 -0.434 1.00 0.00 C ATOM 1574 OD1 ASN A 102 12.553 3.211 -0.702 1.00 0.00 O ATOM 1575 ND2 ASN A 102 14.570 2.490 -0.281 1.00 0.00 N ATOM 0 H ASN A 102 11.565 -1.345 -0.621 1.00 0.00 H new ATOM 0 HA ASN A 102 12.233 0.863 -2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.737 0.906 0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.362 0.296 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 102 14.951 3.430 -0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.189 1.711 -0.056 1.00 0.00 H new ATOM 1582 N ASN A 103 14.231 -1.119 -2.985 1.00 0.00 N ATOM 1583 CA ASN A 103 15.578 -1.555 -3.468 1.00 0.00 C ATOM 1584 C ASN A 103 15.632 -1.428 -5.007 1.00 0.00 C ATOM 1585 O ASN A 103 15.262 -2.359 -5.695 1.00 0.00 O ATOM 1586 CB ASN A 103 15.778 -3.026 -3.088 1.00 0.00 C ATOM 1587 CG ASN A 103 17.250 -3.405 -3.259 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.607 -4.141 -4.275 1.00 0.00 O flip ATOM 1589 ND2 ASN A 103 18.084 -3.026 -2.461 1.00 0.00 N flip ATOM 0 H ASN A 103 13.446 -1.602 -3.423 1.00 0.00 H new ATOM 0 HA ASN A 103 16.354 -0.936 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.467 -3.191 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.153 -3.662 -3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.805 -2.450 -1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 103 19.063 -3.283 -2.586 1.00 0.00 H new ATOM 1596 N PRO A 104 16.076 -0.293 -5.522 1.00 0.00 N ATOM 1597 CA PRO A 104 16.146 -0.093 -6.984 1.00 0.00 C ATOM 1598 C PRO A 104 16.974 -1.208 -7.641 1.00 0.00 C ATOM 1599 O PRO A 104 16.766 -1.542 -8.791 1.00 0.00 O ATOM 1600 CB PRO A 104 16.800 1.297 -7.165 1.00 0.00 C ATOM 1601 CG PRO A 104 16.866 1.958 -5.760 1.00 0.00 C ATOM 1602 CD PRO A 104 16.540 0.863 -4.721 1.00 0.00 C ATOM 0 HA PRO A 104 15.167 -0.133 -7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.798 1.200 -7.592 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.217 1.910 -7.852 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.856 2.377 -5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.154 2.780 -5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.418 0.606 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.771 1.196 -4.024 1.00 0.00 H new ATOM 1610 N GLN A 105 17.899 -1.792 -6.932 1.00 0.00 N ATOM 1611 CA GLN A 105 18.708 -2.883 -7.545 1.00 0.00 C ATOM 1612 C GLN A 105 17.819 -4.116 -7.734 1.00 0.00 C ATOM 1613 O GLN A 105 18.137 -5.017 -8.485 1.00 0.00 O ATOM 1614 CB GLN A 105 19.887 -3.227 -6.632 1.00 0.00 C ATOM 1615 CG GLN A 105 20.753 -1.983 -6.427 1.00 0.00 C ATOM 1616 CD GLN A 105 21.419 -1.600 -7.749 1.00 0.00 C ATOM 1617 OE1 GLN A 105 20.980 -0.689 -8.423 1.00 0.00 O ATOM 1618 NE2 GLN A 105 22.469 -2.261 -8.153 1.00 0.00 N ATOM 0 H GLN A 105 18.129 -1.565 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 105 19.093 -2.558 -8.511 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.523 -3.592 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.481 -4.028 -7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.141 -1.157 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 105 21.511 -2.176 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 105 22.839 -3.026 -7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.920 -2.013 -9.033 1.00 0.00 H new ATOM 1627 N GLN A 106 16.698 -4.154 -7.060 1.00 0.00 N ATOM 1628 CA GLN A 106 15.763 -5.314 -7.191 1.00 0.00 C ATOM 1629 C GLN A 106 14.325 -4.790 -7.140 1.00 0.00 C ATOM 1630 O GLN A 106 13.653 -4.887 -6.132 1.00 0.00 O ATOM 1631 CB GLN A 106 15.990 -6.293 -6.035 1.00 0.00 C ATOM 1632 CG GLN A 106 17.452 -6.747 -6.023 1.00 0.00 C ATOM 1633 CD GLN A 106 17.660 -7.767 -4.902 1.00 0.00 C ATOM 1634 OE1 GLN A 106 17.627 -7.367 -3.660 1.00 0.00 O flip ATOM 1635 NE2 GLN A 106 17.857 -8.938 -5.158 1.00 0.00 N flip ATOM 0 H GLN A 106 16.387 -3.425 -6.418 1.00 0.00 H new ATOM 0 HA GLN A 106 15.942 -5.830 -8.135 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.739 -5.816 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.332 -7.156 -6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.715 -7.189 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.109 -5.890 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 106 17.883 -9.251 -6.129 1.00 0.00 H new ATOM 0 HE22 GLN A 106 17.997 -9.609 -4.402 1.00 0.00 H new ATOM 1644 N GLN A 107 13.856 -4.216 -8.216 1.00 0.00 N ATOM 1645 CA GLN A 107 12.470 -3.660 -8.231 1.00 0.00 C ATOM 1646 C GLN A 107 11.450 -4.752 -8.579 1.00 0.00 C ATOM 1647 O GLN A 107 10.258 -4.524 -8.543 1.00 0.00 O ATOM 1648 CB GLN A 107 12.385 -2.545 -9.276 1.00 0.00 C ATOM 1649 CG GLN A 107 12.771 -3.099 -10.649 1.00 0.00 C ATOM 1650 CD GLN A 107 12.841 -1.953 -11.660 1.00 0.00 C ATOM 1651 OE1 GLN A 107 11.826 -1.479 -12.131 1.00 0.00 O ATOM 1652 NE2 GLN A 107 14.006 -1.484 -12.016 1.00 0.00 N ATOM 0 H GLN A 107 14.374 -4.108 -9.088 1.00 0.00 H new ATOM 0 HA GLN A 107 12.241 -3.268 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.374 -2.138 -9.308 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.050 -1.725 -9.003 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.734 -3.606 -10.591 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.040 -3.840 -10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.858 -1.882 -11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 107 14.064 -0.720 -12.689 1.00 0.00 H new ATOM 1661 N GLY A 108 11.894 -5.937 -8.905 1.00 0.00 N ATOM 1662 CA GLY A 108 10.920 -7.020 -9.236 1.00 0.00 C ATOM 1663 C GLY A 108 9.912 -7.133 -8.092 1.00 0.00 C ATOM 1664 O GLY A 108 8.723 -7.271 -8.293 1.00 0.00 O ATOM 0 H GLY A 108 12.878 -6.201 -8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.408 -6.795 -10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.440 -7.967 -9.377 1.00 0.00 H new ATOM 1668 N LEU A 109 10.397 -7.069 -6.889 1.00 0.00 N ATOM 1669 CA LEU A 109 9.501 -7.159 -5.704 1.00 0.00 C ATOM 1670 C LEU A 109 8.790 -5.824 -5.485 1.00 0.00 C ATOM 1671 O LEU A 109 8.035 -5.674 -4.555 1.00 0.00 O ATOM 1672 CB LEU A 109 10.315 -7.510 -4.464 1.00 0.00 C ATOM 1673 CG LEU A 109 11.005 -8.863 -4.658 1.00 0.00 C ATOM 1674 CD1 LEU A 109 11.863 -9.142 -3.428 1.00 0.00 C ATOM 1675 CD2 LEU A 109 9.954 -9.979 -4.831 1.00 0.00 C ATOM 0 H LEU A 109 11.387 -6.957 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 109 8.759 -7.937 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.059 -6.736 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.665 -7.546 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 109 11.626 -8.838 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 109 12.365 -10.103 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 109 12.608 -8.354 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 109 11.230 -9.169 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.458 -10.936 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.323 -10.025 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.337 -9.766 -5.704 1.00 0.00 H new ATOM 1687 N ARG A 110 8.999 -4.861 -6.341 1.00 0.00 N ATOM 1688 CA ARG A 110 8.296 -3.548 -6.182 1.00 0.00 C ATOM 1689 C ARG A 110 7.060 -3.548 -7.086 1.00 0.00 C ATOM 1690 O ARG A 110 6.015 -3.043 -6.717 1.00 0.00 O ATOM 1691 CB ARG A 110 9.233 -2.395 -6.557 1.00 0.00 C ATOM 1692 CG ARG A 110 8.514 -1.057 -6.363 1.00 0.00 C ATOM 1693 CD ARG A 110 9.469 0.088 -6.705 1.00 0.00 C ATOM 1694 NE ARG A 110 10.675 0.008 -5.834 1.00 0.00 N ATOM 1695 CZ ARG A 110 11.748 0.685 -6.142 1.00 0.00 C ATOM 1696 NH1 ARG A 110 11.766 1.429 -7.214 1.00 0.00 N ATOM 1697 NH2 ARG A 110 12.804 0.617 -5.378 1.00 0.00 N ATOM 0 H ARG A 110 9.625 -4.923 -7.144 1.00 0.00 H new ATOM 0 HA ARG A 110 7.994 -3.411 -5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.131 -2.429 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.555 -2.498 -7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.631 -1.011 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.170 -0.963 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.761 0.031 -7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.969 1.046 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 110 10.662 -0.575 -4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.941 1.482 -7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.605 1.958 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.791 0.035 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.642 1.146 -5.619 1.00 0.00 H new ATOM 1711 N ARG A 111 7.130 -4.166 -8.230 1.00 0.00 N ATOM 1712 CA ARG A 111 5.918 -4.237 -9.099 1.00 0.00 C ATOM 1713 C ARG A 111 5.070 -5.414 -8.615 1.00 0.00 C ATOM 1714 O ARG A 111 3.859 -5.413 -8.729 1.00 0.00 O ATOM 1715 CB ARG A 111 6.313 -4.418 -10.577 1.00 0.00 C ATOM 1716 CG ARG A 111 7.294 -5.606 -10.753 1.00 0.00 C ATOM 1717 CD ARG A 111 6.538 -6.886 -11.149 1.00 0.00 C ATOM 1718 NE ARG A 111 6.385 -6.929 -12.630 1.00 0.00 N ATOM 1719 CZ ARG A 111 6.057 -8.046 -13.221 1.00 0.00 C ATOM 1720 NH1 ARG A 111 5.862 -9.126 -12.515 1.00 0.00 N ATOM 1721 NH2 ARG A 111 5.925 -8.082 -14.519 1.00 0.00 N ATOM 0 H ARG A 111 7.964 -4.622 -8.601 1.00 0.00 H new ATOM 0 HA ARG A 111 5.350 -3.309 -9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.419 -4.589 -11.177 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.775 -3.503 -10.947 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.032 -5.363 -11.517 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.840 -5.773 -9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.081 -7.765 -10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.559 -6.907 -10.670 1.00 0.00 H new ATOM 0 HE ARG A 111 6.537 -6.085 -13.183 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.966 -9.098 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.606 -9.998 -12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.078 -7.238 -15.071 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.669 -8.954 -14.982 1.00 0.00 H new ATOM 1735 N GLU A 112 5.694 -6.405 -8.039 1.00 0.00 N ATOM 1736 CA GLU A 112 4.921 -7.563 -7.514 1.00 0.00 C ATOM 1737 C GLU A 112 4.336 -7.187 -6.150 1.00 0.00 C ATOM 1738 O GLU A 112 3.140 -7.228 -5.943 1.00 0.00 O ATOM 1739 CB GLU A 112 5.846 -8.771 -7.358 1.00 0.00 C ATOM 1740 CG GLU A 112 5.009 -10.021 -7.077 1.00 0.00 C ATOM 1741 CD GLU A 112 4.295 -10.455 -8.358 1.00 0.00 C ATOM 1742 OE1 GLU A 112 4.959 -10.993 -9.229 1.00 0.00 O ATOM 1743 OE2 GLU A 112 3.097 -10.243 -8.447 1.00 0.00 O ATOM 0 H GLU A 112 6.704 -6.462 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 112 4.118 -7.816 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.435 -8.911 -8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.550 -8.601 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.648 -10.826 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.280 -9.815 -6.293 1.00 0.00 H new ATOM 1750 N TYR A 113 5.174 -6.813 -5.218 1.00 0.00 N ATOM 1751 CA TYR A 113 4.666 -6.429 -3.868 1.00 0.00 C ATOM 1752 C TYR A 113 3.619 -5.326 -4.015 1.00 0.00 C ATOM 1753 O TYR A 113 2.790 -5.134 -3.152 1.00 0.00 O ATOM 1754 CB TYR A 113 5.817 -5.919 -2.999 1.00 0.00 C ATOM 1755 CG TYR A 113 5.335 -5.718 -1.583 1.00 0.00 C ATOM 1756 CD1 TYR A 113 5.286 -6.803 -0.701 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.945 -4.445 -1.150 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.846 -6.616 0.615 1.00 0.00 C ATOM 1759 CE2 TYR A 113 4.504 -4.257 0.165 1.00 0.00 C ATOM 1760 CZ TYR A 113 4.455 -5.343 1.047 1.00 0.00 C ATOM 1761 OH TYR A 113 4.021 -5.158 2.344 1.00 0.00 O ATOM 0 H TYR A 113 6.186 -6.757 -5.333 1.00 0.00 H new ATOM 0 HA TYR A 113 4.220 -7.303 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.641 -6.632 -3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.200 -4.980 -3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.588 -7.785 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.984 -3.608 -1.831 1.00 0.00 H new ATOM 0 HE1 TYR A 113 4.808 -7.453 1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.202 -3.275 0.499 1.00 0.00 H new ATOM 0 HH TYR A 113 3.789 -4.216 2.480 1.00 0.00 H new ATOM 1771 N GLN A 114 3.627 -4.615 -5.113 1.00 0.00 N ATOM 1772 CA GLN A 114 2.610 -3.551 -5.313 1.00 0.00 C ATOM 1773 C GLN A 114 1.305 -4.214 -5.761 1.00 0.00 C ATOM 1774 O GLN A 114 0.223 -3.755 -5.454 1.00 0.00 O ATOM 1775 CB GLN A 114 3.109 -2.571 -6.389 1.00 0.00 C ATOM 1776 CG GLN A 114 1.953 -1.683 -6.897 1.00 0.00 C ATOM 1777 CD GLN A 114 1.257 -2.353 -8.088 1.00 0.00 C ATOM 1778 OE1 GLN A 114 0.176 -3.055 -7.888 1.00 0.00 O flip ATOM 1779 NE2 GLN A 114 1.703 -2.234 -9.212 1.00 0.00 N flip ATOM 0 H GLN A 114 4.294 -4.728 -5.876 1.00 0.00 H new ATOM 0 HA GLN A 114 2.441 -2.999 -4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.901 -1.945 -5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 114 3.540 -3.126 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 114 1.235 -1.513 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.337 -0.707 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.548 -1.685 -9.370 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.232 -2.683 -9.998 1.00 0.00 H new ATOM 1788 N GLN A 115 1.406 -5.300 -6.480 1.00 0.00 N ATOM 1789 CA GLN A 115 0.179 -6.009 -6.946 1.00 0.00 C ATOM 1790 C GLN A 115 -0.438 -6.787 -5.779 1.00 0.00 C ATOM 1791 O GLN A 115 -1.641 -6.948 -5.692 1.00 0.00 O ATOM 1792 CB GLN A 115 0.548 -6.982 -8.068 1.00 0.00 C ATOM 1793 CG GLN A 115 0.859 -6.198 -9.345 1.00 0.00 C ATOM 1794 CD GLN A 115 -0.440 -5.642 -9.932 1.00 0.00 C ATOM 1795 OE1 GLN A 115 -0.500 -4.494 -10.324 1.00 0.00 O ATOM 1796 NE2 GLN A 115 -1.490 -6.413 -10.009 1.00 0.00 N ATOM 0 H GLN A 115 2.287 -5.727 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.542 -5.280 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.412 -7.579 -7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.273 -7.676 -8.246 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.549 -5.383 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.351 -6.845 -10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.440 -7.377 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -2.361 -6.051 -10.398 1.00 0.00 H new ATOM 1805 N LEU A 116 0.371 -7.246 -4.860 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.179 -7.986 -3.688 1.00 0.00 C ATOM 1807 C LEU A 116 -0.595 -6.963 -2.635 1.00 0.00 C ATOM 1808 O LEU A 116 -1.430 -7.217 -1.787 1.00 0.00 O ATOM 1809 CB LEU A 116 0.896 -8.911 -3.109 1.00 0.00 C ATOM 1810 CG LEU A 116 1.559 -9.708 -4.236 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.653 -10.603 -3.650 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.510 -10.578 -4.940 1.00 0.00 C ATOM 0 H LEU A 116 1.385 -7.140 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.035 -8.590 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.645 -8.324 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.450 -9.592 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 116 1.998 -9.018 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.126 -11.171 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.401 -9.985 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.213 -11.291 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.985 -11.144 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.068 -11.268 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.270 -9.941 -5.358 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.026 -5.793 -2.707 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.380 -4.721 -1.743 1.00 0.00 C ATOM 1826 C TRP A 117 -1.810 -4.260 -2.034 1.00 0.00 C ATOM 1827 O TRP A 117 -2.607 -4.045 -1.136 1.00 0.00 O ATOM 1828 CB TRP A 117 0.595 -3.552 -1.921 1.00 0.00 C ATOM 1829 CG TRP A 117 0.160 -2.400 -1.073 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -0.699 -1.430 -1.459 1.00 0.00 C ATOM 1831 CD2 TRP A 117 0.550 -2.082 0.294 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -0.864 -0.537 -0.415 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.114 -0.896 0.688 1.00 0.00 C ATOM 1834 CE3 TRP A 117 1.407 -2.701 1.223 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 0.065 -0.344 1.957 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 1.589 -2.148 2.501 1.00 0.00 C ATOM 1837 CH2 TRP A 117 0.920 -0.972 2.867 1.00 0.00 C ATOM 0 H TRP A 117 0.676 -5.533 -3.400 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.316 -5.088 -0.718 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.603 -3.861 -1.643 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.631 -3.252 -2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -1.178 -1.363 -2.425 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -1.466 0.286 -0.455 1.00 0.00 H new ATOM 0 HE3 TRP A 117 1.928 -3.607 0.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -0.453 0.562 2.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 2.249 -2.632 3.206 1.00 0.00 H new ATOM 0 HH2 TRP A 117 1.065 -0.552 3.851 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.157 -4.138 -3.286 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.540 -3.724 -3.635 1.00 0.00 C ATOM 1850 C LEU A 118 -4.473 -4.917 -3.433 1.00 0.00 C ATOM 1851 O LEU A 118 -5.657 -4.755 -3.213 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.585 -3.249 -5.091 1.00 0.00 C ATOM 1853 CG LEU A 118 -2.594 -2.085 -5.285 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -2.330 -1.861 -6.779 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.168 -0.792 -4.682 1.00 0.00 C ATOM 0 H LEU A 118 -1.540 -4.308 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.860 -2.901 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.332 -4.071 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.594 -2.928 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.662 -2.341 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.628 -1.036 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.907 -2.767 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.267 -1.621 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.458 0.023 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.108 -0.546 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.345 -0.935 -3.616 1.00 0.00 H new ATOM 1867 N ALA A 119 -3.951 -6.115 -3.461 1.00 0.00 N ATOM 1868 CA ALA A 119 -4.825 -7.297 -3.220 1.00 0.00 C ATOM 1869 C ALA A 119 -5.216 -7.298 -1.739 1.00 0.00 C ATOM 1870 O ALA A 119 -6.219 -7.862 -1.350 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.083 -8.587 -3.574 1.00 0.00 C ATOM 0 H ALA A 119 -2.968 -6.324 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.716 -7.242 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -4.734 -9.442 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.797 -8.565 -4.625 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.189 -8.674 -2.956 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.454 -6.623 -0.916 1.00 0.00 N ATOM 1878 CA ALA A 120 -4.798 -6.525 0.537 1.00 0.00 C ATOM 1879 C ALA A 120 -5.471 -5.178 0.780 1.00 0.00 C ATOM 1880 O ALA A 120 -5.923 -4.902 1.867 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.535 -6.590 1.390 1.00 0.00 C ATOM 0 H ALA A 120 -3.603 -6.132 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.456 -7.352 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.804 -6.517 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.023 -7.535 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.875 -5.764 1.126 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.534 -4.337 -0.230 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.188 -2.993 -0.076 1.00 0.00 C ATOM 1889 C PHE A 121 -7.458 -2.940 -0.939 1.00 0.00 C ATOM 1890 O PHE A 121 -8.321 -2.110 -0.736 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.207 -1.891 -0.521 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.543 -0.586 0.168 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -6.596 0.204 -0.306 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -4.802 -0.168 1.280 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -6.908 1.410 0.330 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.114 1.040 1.916 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.168 1.828 1.441 1.00 0.00 C ATOM 0 H PHE A 121 -5.158 -4.525 -1.159 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.457 -2.834 0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.185 -2.185 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.257 -1.764 -1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.168 -0.118 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.990 -0.777 1.647 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.721 2.019 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.541 1.363 2.773 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.410 2.759 1.932 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.582 -3.830 -1.893 1.00 0.00 N ATOM 1908 CA ALA A 122 -8.797 -3.848 -2.771 1.00 0.00 C ATOM 1909 C ALA A 122 -9.725 -4.976 -2.337 1.00 0.00 C ATOM 1910 O ALA A 122 -10.928 -4.882 -2.480 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.389 -4.058 -4.224 1.00 0.00 C ATOM 0 H ALA A 122 -6.890 -4.550 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.314 -2.893 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.279 -4.070 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.732 -3.247 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -7.864 -5.008 -4.321 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.204 -6.016 -1.762 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.093 -7.103 -1.273 1.00 0.00 C ATOM 1919 C ALA A 123 -10.442 -6.754 0.167 1.00 0.00 C ATOM 1920 O ALA A 123 -10.963 -7.549 0.916 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.357 -8.445 -1.328 1.00 0.00 C ATOM 0 H ALA A 123 -8.206 -6.163 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 123 -10.989 -7.192 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -10.015 -9.236 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.063 -8.657 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.468 -8.398 -0.699 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.126 -5.555 0.561 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.395 -5.136 1.953 1.00 0.00 C ATOM 1929 C LEU A 124 -11.877 -5.434 2.324 1.00 0.00 C ATOM 1930 O LEU A 124 -12.127 -6.128 3.280 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.054 -3.633 2.102 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.692 -3.433 2.814 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.243 -1.973 2.669 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -8.788 -3.794 4.305 1.00 0.00 C ATOM 0 H LEU A 124 -9.690 -4.846 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 124 -9.769 -5.700 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.025 -3.165 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -10.840 -3.134 2.669 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.962 -4.094 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.285 -1.835 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.138 -1.728 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -8.987 -1.317 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -7.818 -3.644 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.530 -3.157 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.085 -4.838 4.408 1.00 0.00 H new ATOM 1946 N PRO A 125 -12.837 -4.903 1.571 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.265 -5.144 1.875 1.00 0.00 C ATOM 1948 C PRO A 125 -14.547 -6.640 1.965 1.00 0.00 C ATOM 1949 O PRO A 125 -14.943 -7.142 2.998 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.049 -4.479 0.718 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.006 -3.828 -0.227 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.607 -4.039 0.391 1.00 0.00 C ATOM 0 HA PRO A 125 -14.560 -4.726 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.645 -5.218 0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.741 -3.729 1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.057 -4.278 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.213 -2.765 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -11.929 -4.513 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.155 -3.090 0.679 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.348 -7.359 0.901 1.00 0.00 N ATOM 1961 CA GLY A 126 -14.610 -8.824 0.947 1.00 0.00 C ATOM 1962 C GLY A 126 -13.367 -9.551 1.454 1.00 0.00 C ATOM 1963 O GLY A 126 -12.987 -10.596 0.964 1.00 0.00 O ATOM 0 H GLY A 126 -14.017 -7.001 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.457 -9.032 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -14.877 -9.187 -0.045 1.00 0.00 H new ATOM 1967 N SER A 127 -12.819 -9.023 2.518 1.00 0.00 N ATOM 1968 CA SER A 127 -11.659 -9.631 3.229 1.00 0.00 C ATOM 1969 C SER A 127 -11.065 -8.548 4.141 1.00 0.00 C ATOM 1970 O SER A 127 -10.519 -7.578 3.675 1.00 0.00 O ATOM 1971 CB SER A 127 -10.584 -10.178 2.259 1.00 0.00 C ATOM 1972 OG SER A 127 -10.880 -9.827 0.917 1.00 0.00 O ATOM 0 H SER A 127 -13.147 -8.154 2.940 1.00 0.00 H new ATOM 0 HA SER A 127 -12.002 -10.490 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 127 -9.606 -9.782 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.526 -11.263 2.350 1.00 0.00 H new ATOM 0 HG SER A 127 -11.562 -10.435 0.563 1.00 0.00 H new ATOM 1978 N ALA A 128 -11.118 -8.736 5.431 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.522 -7.727 6.359 1.00 0.00 C ATOM 1980 C ALA A 128 -11.042 -6.310 6.041 1.00 0.00 C ATOM 1981 O ALA A 128 -10.598 -5.705 5.099 1.00 0.00 O ATOM 1982 CB ALA A 128 -8.992 -7.745 6.186 1.00 0.00 C ATOM 0 H ALA A 128 -11.547 -9.543 5.884 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.803 -7.979 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.541 -7.014 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.611 -8.738 6.423 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.739 -7.496 5.155 1.00 0.00 H new ATOM 1988 N LYS A 129 -11.946 -5.763 6.839 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.445 -4.355 6.583 1.00 0.00 C ATOM 1990 C LYS A 129 -13.694 -4.041 7.398 1.00 0.00 C ATOM 1991 O LYS A 129 -13.873 -2.940 7.879 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.843 -4.147 5.101 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.691 -2.847 4.935 1.00 0.00 C ATOM 1994 CD LYS A 129 -13.434 -2.179 3.570 1.00 0.00 C ATOM 1995 CE LYS A 129 -12.282 -1.170 3.698 1.00 0.00 C ATOM 1996 NZ LYS A 129 -11.777 -0.814 2.342 1.00 0.00 N ATOM 0 H LYS A 129 -12.357 -6.225 7.650 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.618 -3.703 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -11.947 -4.084 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.413 -5.007 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -14.750 -3.087 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.449 -2.148 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.187 -2.935 2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.336 -1.674 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -12.625 -0.275 4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -11.477 -1.596 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -10.844 -1.249 2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -12.440 -1.164 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -11.694 0.220 2.263 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.595 -4.968 7.471 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.874 -4.656 8.170 1.00 0.00 C ATOM 2012 C ASP A 130 -16.441 -3.387 7.488 1.00 0.00 C ATOM 2013 O ASP A 130 -16.496 -2.339 8.101 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.582 -4.349 9.650 1.00 0.00 C ATOM 2015 CG ASP A 130 -16.882 -4.418 10.459 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -17.892 -3.949 9.961 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -16.843 -4.936 11.563 1.00 0.00 O ATOM 0 H ASP A 130 -14.512 -5.910 7.089 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.575 -5.489 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.859 -5.064 10.044 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -15.136 -3.359 9.745 1.00 0.00 H new ATOM 2022 N PRO A 131 -16.797 -3.506 6.215 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.297 -2.353 5.425 1.00 0.00 C ATOM 2024 C PRO A 131 -18.702 -1.984 5.891 1.00 0.00 C ATOM 2025 O PRO A 131 -19.092 -0.835 5.893 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.354 -2.881 3.971 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.330 -4.429 4.071 1.00 0.00 C ATOM 2028 CD PRO A 131 -16.760 -4.785 5.465 1.00 0.00 C ATOM 0 HA PRO A 131 -16.669 -1.468 5.528 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.258 -2.537 3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -16.507 -2.515 3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.333 -4.839 3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -16.712 -4.857 3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.360 -5.551 5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -15.744 -5.174 5.392 1.00 0.00 H new ATOM 2036 N SER A 132 -19.476 -2.975 6.236 1.00 0.00 N ATOM 2037 CA SER A 132 -20.878 -2.715 6.648 1.00 0.00 C ATOM 2038 C SER A 132 -21.668 -2.397 5.377 1.00 0.00 C ATOM 2039 O SER A 132 -22.725 -2.945 5.136 1.00 0.00 O ATOM 2040 CB SER A 132 -20.931 -1.530 7.628 1.00 0.00 C ATOM 2041 OG SER A 132 -21.994 -1.735 8.550 1.00 0.00 O ATOM 0 H SER A 132 -19.195 -3.955 6.249 1.00 0.00 H new ATOM 0 HA SER A 132 -21.303 -3.581 7.156 1.00 0.00 H new ATOM 0 HB2 SER A 132 -19.984 -1.440 8.160 1.00 0.00 H new ATOM 0 HB3 SER A 132 -21.081 -0.598 7.083 1.00 0.00 H new ATOM 0 HG SER A 132 -22.032 -0.984 9.178 1.00 0.00 H new ATOM 2047 N TRP A 133 -21.156 -1.495 4.571 1.00 0.00 N ATOM 2048 CA TRP A 133 -21.866 -1.106 3.309 1.00 0.00 C ATOM 2049 C TRP A 133 -20.894 -1.166 2.131 1.00 0.00 C ATOM 2050 O TRP A 133 -20.415 -0.151 1.668 1.00 0.00 O ATOM 2051 CB TRP A 133 -22.389 0.324 3.457 1.00 0.00 C ATOM 2052 CG TRP A 133 -23.485 0.348 4.475 1.00 0.00 C ATOM 2053 CD1 TRP A 133 -23.378 0.870 5.718 1.00 0.00 C ATOM 2054 CD2 TRP A 133 -24.845 -0.163 4.361 1.00 0.00 C ATOM 2055 NE1 TRP A 133 -24.586 0.713 6.375 1.00 0.00 N ATOM 2056 CE2 TRP A 133 -25.522 0.082 5.580 1.00 0.00 C ATOM 2057 CE3 TRP A 133 -25.552 -0.809 3.330 1.00 0.00 C ATOM 2058 CZ2 TRP A 133 -26.850 -0.301 5.769 1.00 0.00 C ATOM 2059 CZ3 TRP A 133 -26.889 -1.195 3.517 1.00 0.00 C ATOM 2060 CH2 TRP A 133 -27.537 -0.941 4.734 1.00 0.00 C ATOM 0 H TRP A 133 -20.274 -1.010 4.734 1.00 0.00 H new ATOM 0 HA TRP A 133 -22.694 -1.792 3.128 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -21.581 0.989 3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -22.759 0.689 2.499 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -22.494 1.334 6.131 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -24.763 1.025 7.330 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -25.063 -1.009 2.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -27.344 -0.104 6.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -27.421 -1.691 2.719 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -28.566 -1.240 4.871 1.00 0.00 H new ATOM 2071 N ALA A 134 -20.593 -2.342 1.637 1.00 0.00 N ATOM 2072 CA ALA A 134 -19.643 -2.448 0.483 1.00 0.00 C ATOM 2073 C ALA A 134 -20.433 -2.486 -0.826 1.00 0.00 C ATOM 2074 O ALA A 134 -20.443 -1.482 -1.519 1.00 0.00 O ATOM 2075 CB ALA A 134 -18.810 -3.725 0.616 1.00 0.00 C ATOM 2076 OXT ALA A 134 -21.016 -3.519 -1.113 1.00 0.00 O ATOM 0 H ALA A 134 -20.961 -3.229 1.980 1.00 0.00 H new ATOM 0 HA ALA A 134 -18.979 -1.584 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -18.120 -3.799 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -18.245 -3.695 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -19.471 -4.592 0.620 1.00 0.00 H new TER 2082 ALA A 134