USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 870 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 67 HIS :FLIP no HE2:sc= -0.219 F(o=0.78,f=2.5) USER MOD Set 1.2: A 71 CYS SG : rot 90:sc= -0.441! USER MOD Set 1.3: A 76 CYS SG : rot 138:sc= 0.628 USER MOD Set 1.4: A 81 CYS SG : rot -160:sc= 0.368 USER MOD Set 1.5: A 85 LYS NZ :NH3+ -174:sc= 2.16 (180deg=0.953) USER MOD Set 2.1: A 74 ASN : amide:sc= 0.55 K(o=1,f=0.34) USER MOD Set 2.2: A 86 HIS : no HE2:sc= 0.48 K(o=1,f=-1.3) USER MOD Set 3.1: A 69 LYS NZ :NH3+ -108:sc= 0.237 (180deg=0) USER MOD Set 3.2: A 70 HIS : no HE2:sc= 0.864 K(o=1.1,f=-2.4!) USER MOD Set 4.1: A 42 HIS : no HE2:sc= -0.622 K(o=5.8,f=5) USER MOD Set 4.2: A 43 THR OG1 : rot -48:sc= 1.36 USER MOD Set 4.3: A 46 CYS SG : rot 59:sc= 1.01 USER MOD Set 4.4: A 54 CYS SG : rot -152:sc= 2.27 USER MOD Set 4.5: A 57 CYS SG : rot 136:sc= 1.82 USER MOD Set 5.1: A 41 GLN : amide:sc= 0.787 K(o=1.8,f=-3.2) USER MOD Set 5.2: A 44 LYS NZ :NH3+ -144:sc= 1.05 (180deg=0) USER MOD Set 6.1: A 16 SER OG : rot 82:sc= 1.81 USER MOD Set 6.2: A 32 SER OG : rot 163:sc= 0.825 USER MOD Set 7.1: A 19 HIS : no HE2:sc= -0.914 K(o=4.5,f=2.6) USER MOD Set 7.2: A 23 CYS SG : rot 162:sc= 0.927 USER MOD Set 7.3: A 28 CYS SG : rot -130:sc= 0.827 USER MOD Set 7.4: A 33 CYS SG : rot -164:sc= 0.666 USER MOD Set 7.5: A 37 LYS NZ :NH3+ 167:sc= 2.98 (180deg=0.883) USER MOD Single : A 5 SER OG : rot -160:sc= 0.326 USER MOD Single : A 9 SER OG : rot 83:sc= 1.28 USER MOD Single : A 11 GLN : amide:sc= 0.752 K(o=0.75,f=0) USER MOD Single : A 13 CYS SG : rot -108:sc= -0.088 USER MOD Single : A 15 GLN : amide:sc= -0.0723 X(o=-0.072,f=-0.072) USER MOD Single : A 21 CYS SG : rot 79:sc=-0.00646 USER MOD Single : A 22 GLN : amide:sc= 0.917 K(o=0.92,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.555 K(o=0.55,f=-5.6!) USER MOD Single : A 27 ASN : amide:sc= -0.0518 X(o=-0.052,f=-0.052) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.15 K(o=1.1,f=-0.37) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= 0.629 (180deg=0.182) USER MOD Single : A 36 MET CE :methyl 179:sc= -0.123 (180deg=-0.13) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 1.17 (180deg=1.04) USER MOD Single : A 50 THR OG1 : rot 180:sc=0.000283 USER MOD Single : A 51 ASN : amide:sc= 0.642 K(o=0.64,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0961 K(o=-0.096,f=-8.3!) USER MOD Single : A 64 CYS SG : rot 79:sc= 0.269 USER MOD Single : A 65 CYS SG : rot 155:sc= -0.271 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 1.24 (180deg=0.875) USER MOD Single : B 722 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.072) USER MOD Single : B 726 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 727 SER OG : rot 180:sc= -0.164 USER MOD Single : B 735 SER OG : rot 180:sc= 0 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 745 SER OG : rot 180:sc= 0 USER MOD Single : B 746 MET CE :methyl -114:sc= -3.8 (180deg=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 51.898 -12.734 27.489 1.00 0.00 N ATOM 44 CA GLU A 4 51.317 -14.079 27.486 1.00 0.00 C ATOM 45 C GLU A 4 49.786 -14.054 27.447 1.00 0.00 C ATOM 46 O GLU A 4 49.195 -14.900 26.784 1.00 0.00 O ATOM 47 CB GLU A 4 51.805 -14.840 28.727 1.00 0.00 C ATOM 48 CG GLU A 4 53.202 -15.456 28.573 1.00 0.00 C ATOM 49 CD GLU A 4 54.261 -14.469 28.055 1.00 0.00 C ATOM 50 OE1 GLU A 4 54.520 -13.444 28.728 1.00 0.00 O ATOM 51 OE2 GLU A 4 54.808 -14.708 26.952 1.00 0.00 O ATOM 0 HA GLU A 4 51.647 -14.586 26.579 1.00 0.00 H new ATOM 0 HB2 GLU A 4 51.811 -14.160 29.578 1.00 0.00 H new ATOM 0 HB3 GLU A 4 51.093 -15.633 28.958 1.00 0.00 H new ATOM 0 HG2 GLU A 4 53.525 -15.848 29.538 1.00 0.00 H new ATOM 0 HG3 GLU A 4 53.142 -16.303 27.889 1.00 0.00 H new ATOM 58 N SER A 5 49.133 -13.076 28.086 1.00 0.00 N ATOM 59 CA SER A 5 47.667 -12.935 28.054 1.00 0.00 C ATOM 60 C SER A 5 47.114 -12.937 26.623 1.00 0.00 C ATOM 61 O SER A 5 46.140 -13.629 26.324 1.00 0.00 O ATOM 62 CB SER A 5 47.243 -11.646 28.770 1.00 0.00 C ATOM 63 OG SER A 5 47.774 -10.493 28.129 1.00 0.00 O ATOM 0 H SER A 5 49.602 -12.360 28.640 1.00 0.00 H new ATOM 0 HA SER A 5 47.250 -13.799 28.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 46.155 -11.582 28.792 1.00 0.00 H new ATOM 0 HB3 SER A 5 47.582 -11.676 29.806 1.00 0.00 H new ATOM 0 HG SER A 5 47.766 -9.738 28.754 1.00 0.00 H new ATOM 69 N ARG A 6 47.778 -12.206 25.719 1.00 0.00 N ATOM 70 CA ARG A 6 47.451 -12.116 24.289 1.00 0.00 C ATOM 71 C ARG A 6 47.716 -13.447 23.579 1.00 0.00 C ATOM 72 O ARG A 6 46.831 -13.979 22.912 1.00 0.00 O ATOM 73 CB ARG A 6 48.291 -10.994 23.641 1.00 0.00 C ATOM 74 CG ARG A 6 48.198 -9.605 24.291 1.00 0.00 C ATOM 75 CD ARG A 6 46.761 -9.083 24.312 1.00 0.00 C ATOM 76 NE ARG A 6 46.686 -7.676 24.752 1.00 0.00 N ATOM 77 CZ ARG A 6 46.764 -7.189 25.976 1.00 0.00 C ATOM 78 NH1 ARG A 6 46.973 -7.911 27.041 1.00 0.00 N ATOM 79 NH2 ARG A 6 46.624 -5.908 26.136 1.00 0.00 N ATOM 0 H ARG A 6 48.588 -11.640 25.972 1.00 0.00 H new ATOM 0 HA ARG A 6 46.390 -11.886 24.188 1.00 0.00 H new ATOM 0 HB2 ARG A 6 49.336 -11.304 23.646 1.00 0.00 H new ATOM 0 HB3 ARG A 6 47.991 -10.903 22.597 1.00 0.00 H new ATOM 0 HG2 ARG A 6 48.582 -9.654 25.310 1.00 0.00 H new ATOM 0 HG3 ARG A 6 48.831 -8.905 23.745 1.00 0.00 H new ATOM 0 HD2 ARG A 6 46.328 -9.174 23.316 1.00 0.00 H new ATOM 0 HD3 ARG A 6 46.161 -9.703 24.978 1.00 0.00 H new ATOM 0 HE ARG A 6 46.556 -6.988 24.010 1.00 0.00 H new ATOM 0 HH11 ARG A 6 47.088 -8.921 26.958 1.00 0.00 H new ATOM 0 HH12 ARG A 6 47.022 -7.466 27.957 1.00 0.00 H new ATOM 0 HH21 ARG A 6 46.459 -5.308 25.328 1.00 0.00 H new ATOM 0 HH22 ARG A 6 46.679 -5.502 27.070 1.00 0.00 H new ATOM 93 N ARG A 7 48.922 -14.001 23.763 1.00 0.00 N ATOM 94 CA ARG A 7 49.407 -15.266 23.164 1.00 0.00 C ATOM 95 C ARG A 7 48.501 -16.453 23.468 1.00 0.00 C ATOM 96 O ARG A 7 48.190 -17.261 22.593 1.00 0.00 O ATOM 97 CB ARG A 7 50.836 -15.538 23.651 1.00 0.00 C ATOM 98 CG ARG A 7 51.779 -14.431 23.169 1.00 0.00 C ATOM 99 CD ARG A 7 53.153 -14.521 23.815 1.00 0.00 C ATOM 100 NE ARG A 7 53.974 -13.436 23.254 1.00 0.00 N ATOM 101 CZ ARG A 7 54.977 -12.764 23.772 1.00 0.00 C ATOM 102 NH1 ARG A 7 55.565 -13.049 24.896 1.00 0.00 N ATOM 103 NH2 ARG A 7 55.382 -11.715 23.127 1.00 0.00 N ATOM 0 H ARG A 7 49.624 -13.564 24.360 1.00 0.00 H new ATOM 0 HA ARG A 7 49.396 -15.146 22.081 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.853 -15.592 24.740 1.00 0.00 H new ATOM 0 HB3 ARG A 7 51.177 -16.504 23.279 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.885 -14.493 22.086 1.00 0.00 H new ATOM 0 HG3 ARG A 7 51.338 -13.459 23.391 1.00 0.00 H new ATOM 0 HD2 ARG A 7 53.075 -14.423 24.898 1.00 0.00 H new ATOM 0 HD3 ARG A 7 53.609 -15.491 23.614 1.00 0.00 H new ATOM 0 HE ARG A 7 53.722 -13.160 22.305 1.00 0.00 H new ATOM 0 HH11 ARG A 7 55.252 -13.848 25.447 1.00 0.00 H new ATOM 0 HH12 ARG A 7 56.339 -12.473 25.227 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.925 -11.444 22.256 1.00 0.00 H new ATOM 0 HH22 ARG A 7 56.158 -11.161 23.490 1.00 0.00 H new ATOM 117 N LEU A 8 48.075 -16.536 24.723 1.00 0.00 N ATOM 118 CA LEU A 8 47.183 -17.569 25.242 1.00 0.00 C ATOM 119 C LEU A 8 45.722 -17.336 24.825 1.00 0.00 C ATOM 120 O LEU A 8 44.999 -18.308 24.606 1.00 0.00 O ATOM 121 CB LEU A 8 47.361 -17.630 26.771 1.00 0.00 C ATOM 122 CG LEU A 8 48.794 -18.008 27.216 1.00 0.00 C ATOM 123 CD1 LEU A 8 48.942 -17.817 28.724 1.00 0.00 C ATOM 124 CD2 LEU A 8 49.173 -19.443 26.853 1.00 0.00 C ATOM 0 H LEU A 8 48.351 -15.860 25.435 1.00 0.00 H new ATOM 0 HA LEU A 8 47.447 -18.535 24.811 1.00 0.00 H new ATOM 0 HB2 LEU A 8 47.102 -16.661 27.197 1.00 0.00 H new ATOM 0 HB3 LEU A 8 46.659 -18.356 27.181 1.00 0.00 H new ATOM 0 HG LEU A 8 49.471 -17.344 26.678 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.954 -18.086 29.027 1.00 0.00 H new ATOM 0 HD12 LEU A 8 48.751 -16.775 28.979 1.00 0.00 H new ATOM 0 HD13 LEU A 8 48.226 -18.454 29.243 1.00 0.00 H new ATOM 0 HD21 LEU A 8 50.189 -19.648 27.191 1.00 0.00 H new ATOM 0 HD22 LEU A 8 48.483 -20.135 27.336 1.00 0.00 H new ATOM 0 HD23 LEU A 8 49.118 -19.572 25.772 1.00 0.00 H new ATOM 136 N SER A 9 45.291 -16.080 24.643 1.00 0.00 N ATOM 137 CA SER A 9 43.943 -15.778 24.133 1.00 0.00 C ATOM 138 C SER A 9 43.808 -16.216 22.669 1.00 0.00 C ATOM 139 O SER A 9 42.832 -16.879 22.328 1.00 0.00 O ATOM 140 CB SER A 9 43.596 -14.290 24.258 1.00 0.00 C ATOM 141 OG SER A 9 43.530 -13.901 25.619 1.00 0.00 O ATOM 0 H SER A 9 45.856 -15.254 24.841 1.00 0.00 H new ATOM 0 HA SER A 9 43.240 -16.339 24.749 1.00 0.00 H new ATOM 0 HB2 SER A 9 44.346 -13.692 23.740 1.00 0.00 H new ATOM 0 HB3 SER A 9 42.640 -14.093 23.772 1.00 0.00 H new ATOM 0 HG SER A 9 44.432 -13.701 25.946 1.00 0.00 H new ATOM 147 N ILE A 10 44.806 -15.922 21.819 1.00 0.00 N ATOM 148 CA ILE A 10 44.853 -16.297 20.387 1.00 0.00 C ATOM 149 C ILE A 10 44.551 -17.790 20.151 1.00 0.00 C ATOM 150 O ILE A 10 43.862 -18.136 19.187 1.00 0.00 O ATOM 151 CB ILE A 10 46.221 -15.879 19.794 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.317 -14.340 19.691 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.473 -16.473 18.397 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.755 -13.812 19.711 1.00 0.00 C ATOM 0 H ILE A 10 45.631 -15.400 22.115 1.00 0.00 H new ATOM 0 HA ILE A 10 44.061 -15.759 19.867 1.00 0.00 H new ATOM 0 HB ILE A 10 46.977 -16.270 20.474 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.832 -14.015 18.770 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.764 -13.894 20.517 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.447 -16.145 18.033 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.455 -17.561 18.456 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.696 -16.134 17.712 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.744 -12.725 19.635 1.00 0.00 H new ATOM 0 HD12 ILE A 10 48.238 -14.106 20.643 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.307 -14.229 18.869 1.00 0.00 H new ATOM 166 N GLN A 11 45.021 -18.678 21.040 1.00 0.00 N ATOM 167 CA GLN A 11 44.764 -20.126 20.966 1.00 0.00 C ATOM 168 C GLN A 11 43.270 -20.486 20.808 1.00 0.00 C ATOM 169 O GLN A 11 42.951 -21.466 20.128 1.00 0.00 O ATOM 170 CB GLN A 11 45.321 -20.849 22.207 1.00 0.00 C ATOM 171 CG GLN A 11 46.774 -20.512 22.571 1.00 0.00 C ATOM 172 CD GLN A 11 47.768 -20.741 21.437 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.817 -21.789 20.807 1.00 0.00 O ATOM 174 NE2 GLN A 11 48.593 -19.766 21.126 1.00 0.00 N ATOM 0 H GLN A 11 45.596 -18.409 21.839 1.00 0.00 H new ATOM 0 HA GLN A 11 45.279 -20.462 20.066 1.00 0.00 H new ATOM 0 HB2 GLN A 11 44.686 -20.611 23.060 1.00 0.00 H new ATOM 0 HB3 GLN A 11 45.245 -21.924 22.044 1.00 0.00 H new ATOM 0 HG2 GLN A 11 46.827 -19.468 22.881 1.00 0.00 H new ATOM 0 HG3 GLN A 11 47.072 -21.115 23.429 1.00 0.00 H new ATOM 0 HE21 GLN A 11 48.562 -18.887 21.643 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.264 -19.888 20.367 1.00 0.00 H new ATOM 183 N ARG A 12 42.349 -19.693 21.388 1.00 0.00 N ATOM 184 CA ARG A 12 40.887 -19.903 21.299 1.00 0.00 C ATOM 185 C ARG A 12 40.402 -19.969 19.847 1.00 0.00 C ATOM 186 O ARG A 12 39.601 -20.832 19.487 1.00 0.00 O ATOM 187 CB ARG A 12 40.138 -18.820 22.120 1.00 0.00 C ATOM 188 CG ARG A 12 39.939 -17.482 21.377 1.00 0.00 C ATOM 189 CD ARG A 12 39.522 -16.297 22.256 1.00 0.00 C ATOM 190 NE ARG A 12 39.517 -15.052 21.460 1.00 0.00 N ATOM 191 CZ ARG A 12 38.644 -14.703 20.532 1.00 0.00 C ATOM 192 NH1 ARG A 12 37.531 -15.350 20.325 1.00 0.00 N ATOM 193 NH2 ARG A 12 38.880 -13.694 19.754 1.00 0.00 N ATOM 0 H ARG A 12 42.602 -18.874 21.941 1.00 0.00 H new ATOM 0 HA ARG A 12 40.657 -20.875 21.736 1.00 0.00 H new ATOM 0 HB2 ARG A 12 39.162 -19.210 22.408 1.00 0.00 H new ATOM 0 HB3 ARG A 12 40.691 -18.632 23.040 1.00 0.00 H new ATOM 0 HG2 ARG A 12 40.869 -17.226 20.869 1.00 0.00 H new ATOM 0 HG3 ARG A 12 39.183 -17.624 20.605 1.00 0.00 H new ATOM 0 HD2 ARG A 12 38.531 -16.475 22.674 1.00 0.00 H new ATOM 0 HD3 ARG A 12 40.209 -16.198 23.096 1.00 0.00 H new ATOM 0 HE ARG A 12 40.270 -14.390 21.648 1.00 0.00 H new ATOM 0 HH11 ARG A 12 37.302 -16.166 20.893 1.00 0.00 H new ATOM 0 HH12 ARG A 12 36.889 -15.040 19.595 1.00 0.00 H new ATOM 0 HH21 ARG A 12 39.745 -13.163 19.856 1.00 0.00 H new ATOM 0 HH22 ARG A 12 38.201 -13.431 19.040 1.00 0.00 H new ATOM 207 N CYS A 13 40.914 -19.070 19.006 1.00 0.00 N ATOM 208 CA CYS A 13 40.561 -18.973 17.597 1.00 0.00 C ATOM 209 C CYS A 13 41.210 -20.085 16.777 1.00 0.00 C ATOM 210 O CYS A 13 40.574 -20.615 15.873 1.00 0.00 O ATOM 211 CB CYS A 13 41.006 -17.615 17.057 1.00 0.00 C ATOM 212 SG CYS A 13 40.198 -16.245 17.924 1.00 0.00 S ATOM 0 H CYS A 13 41.601 -18.375 19.296 1.00 0.00 H new ATOM 0 HA CYS A 13 39.480 -19.079 17.510 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.087 -17.521 17.158 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.779 -17.555 15.993 1.00 0.00 H new ATOM 0 HG CYS A 13 39.319 -15.694 17.141 1.00 0.00 H new ATOM 218 N ILE A 14 42.454 -20.460 17.091 1.00 0.00 N ATOM 219 CA ILE A 14 43.168 -21.536 16.388 1.00 0.00 C ATOM 220 C ILE A 14 42.400 -22.853 16.553 1.00 0.00 C ATOM 221 O ILE A 14 42.093 -23.510 15.559 1.00 0.00 O ATOM 222 CB ILE A 14 44.631 -21.598 16.878 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.353 -20.315 16.405 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.362 -22.846 16.351 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.677 -20.028 17.106 1.00 0.00 C ATOM 0 H ILE A 14 42.996 -20.028 17.839 1.00 0.00 H new ATOM 0 HA ILE A 14 43.214 -21.338 15.317 1.00 0.00 H new ATOM 0 HB ILE A 14 44.637 -21.665 17.966 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.535 -20.392 15.333 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.688 -19.465 16.555 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.388 -22.850 16.720 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.848 -23.742 16.698 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.368 -22.831 15.261 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.108 -19.109 16.708 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.505 -19.914 18.176 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.366 -20.856 16.936 1.00 0.00 H new ATOM 237 N GLN A 15 42.007 -23.203 17.784 1.00 0.00 N ATOM 238 CA GLN A 15 41.191 -24.396 18.042 1.00 0.00 C ATOM 239 C GLN A 15 39.819 -24.305 17.350 1.00 0.00 C ATOM 240 O GLN A 15 39.376 -25.275 16.734 1.00 0.00 O ATOM 241 CB GLN A 15 41.011 -24.604 19.555 1.00 0.00 C ATOM 242 CG GLN A 15 42.319 -24.944 20.290 1.00 0.00 C ATOM 243 CD GLN A 15 42.888 -26.297 19.873 1.00 0.00 C ATOM 244 OE1 GLN A 15 43.875 -26.401 19.157 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.275 -27.385 20.290 1.00 0.00 N ATOM 0 H GLN A 15 42.243 -22.673 18.623 1.00 0.00 H new ATOM 0 HA GLN A 15 41.718 -25.254 17.624 1.00 0.00 H new ATOM 0 HB2 GLN A 15 40.584 -23.700 19.989 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.292 -25.407 19.720 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.056 -24.166 20.091 1.00 0.00 H new ATOM 0 HG3 GLN A 15 42.138 -24.945 21.365 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.452 -27.309 20.887 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.624 -28.304 20.016 1.00 0.00 H new ATOM 254 N SER A 16 39.159 -23.141 17.412 1.00 0.00 N ATOM 255 CA SER A 16 37.851 -22.917 16.775 1.00 0.00 C ATOM 256 C SER A 16 37.897 -23.046 15.248 1.00 0.00 C ATOM 257 O SER A 16 37.017 -23.676 14.663 1.00 0.00 O ATOM 258 CB SER A 16 37.298 -21.537 17.136 1.00 0.00 C ATOM 259 OG SER A 16 37.051 -21.435 18.527 1.00 0.00 O ATOM 0 H SER A 16 39.517 -22.324 17.907 1.00 0.00 H new ATOM 0 HA SER A 16 37.196 -23.699 17.160 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.007 -20.767 16.832 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.375 -21.356 16.585 1.00 0.00 H new ATOM 0 HG SER A 16 37.887 -21.223 18.993 1.00 0.00 H new ATOM 265 N LEU A 17 38.915 -22.482 14.585 1.00 0.00 N ATOM 266 CA LEU A 17 39.076 -22.567 13.131 1.00 0.00 C ATOM 267 C LEU A 17 39.439 -23.998 12.709 1.00 0.00 C ATOM 268 O LEU A 17 38.857 -24.509 11.755 1.00 0.00 O ATOM 269 CB LEU A 17 40.111 -21.529 12.656 1.00 0.00 C ATOM 270 CG LEU A 17 40.286 -21.457 11.124 1.00 0.00 C ATOM 271 CD1 LEU A 17 38.984 -21.155 10.371 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.295 -20.362 10.777 1.00 0.00 C ATOM 0 H LEU A 17 39.653 -21.951 15.047 1.00 0.00 H new ATOM 0 HA LEU A 17 38.129 -22.329 12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.816 -20.546 13.022 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.075 -21.762 13.109 1.00 0.00 H new ATOM 0 HG LEU A 17 40.630 -22.443 10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.183 -21.119 9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.254 -21.937 10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.589 -20.194 10.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.419 -20.311 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.932 -19.403 11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.254 -20.591 11.242 1.00 0.00 H new ATOM 284 N VAL A 18 40.336 -24.674 13.439 1.00 0.00 N ATOM 285 CA VAL A 18 40.686 -26.087 13.190 1.00 0.00 C ATOM 286 C VAL A 18 39.437 -26.969 13.299 1.00 0.00 C ATOM 287 O VAL A 18 39.208 -27.815 12.432 1.00 0.00 O ATOM 288 CB VAL A 18 41.798 -26.553 14.155 1.00 0.00 C ATOM 289 CG1 VAL A 18 41.933 -28.079 14.208 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.157 -25.983 13.732 1.00 0.00 C ATOM 0 H VAL A 18 40.843 -24.260 14.221 1.00 0.00 H new ATOM 0 HA VAL A 18 41.075 -26.180 12.176 1.00 0.00 H new ATOM 0 HB VAL A 18 41.509 -26.187 15.140 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.729 -28.350 14.902 1.00 0.00 H new ATOM 0 HG12 VAL A 18 40.993 -28.516 14.546 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.173 -28.458 13.214 1.00 0.00 H new ATOM 0 HG21 VAL A 18 43.926 -26.324 14.425 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.398 -26.326 12.726 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.114 -24.894 13.744 1.00 0.00 H new ATOM 300 N HIS A 19 38.605 -26.756 14.324 1.00 0.00 N ATOM 301 CA HIS A 19 37.329 -27.456 14.481 1.00 0.00 C ATOM 302 C HIS A 19 36.419 -27.166 13.275 1.00 0.00 C ATOM 303 O HIS A 19 35.980 -28.097 12.603 1.00 0.00 O ATOM 304 CB HIS A 19 36.663 -27.048 15.808 1.00 0.00 C ATOM 305 CG HIS A 19 35.279 -27.633 15.985 1.00 0.00 C ATOM 306 ND1 HIS A 19 34.937 -28.739 16.732 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.131 -27.195 15.376 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.620 -28.965 16.561 1.00 0.00 C ATOM 309 NE2 HIS A 19 33.083 -28.054 15.728 1.00 0.00 N ATOM 0 H HIS A 19 38.800 -26.089 15.071 1.00 0.00 H new ATOM 0 HA HIS A 19 37.505 -28.531 14.515 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.294 -27.368 16.637 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.600 -25.961 15.856 1.00 0.00 H new ATOM 0 HD1 HIS A 19 35.570 -29.290 17.312 1.00 0.00 H new ATOM 0 HD2 HIS A 19 34.049 -26.332 14.732 1.00 0.00 H new ATOM 0 HE1 HIS A 19 33.070 -29.768 17.029 1.00 0.00 H new ATOM 317 N ALA A 20 36.172 -25.889 12.958 1.00 0.00 N ATOM 318 CA ALA A 20 35.327 -25.465 11.839 1.00 0.00 C ATOM 319 C ALA A 20 35.772 -26.019 10.472 1.00 0.00 C ATOM 320 O ALA A 20 34.927 -26.303 9.621 1.00 0.00 O ATOM 321 CB ALA A 20 35.281 -23.938 11.825 1.00 0.00 C ATOM 0 H ALA A 20 36.563 -25.107 13.484 1.00 0.00 H new ATOM 0 HA ALA A 20 34.332 -25.882 11.997 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.656 -23.600 10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.864 -23.578 12.766 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.290 -23.545 11.701 1.00 0.00 H new ATOM 327 N CYS A 21 37.079 -26.213 10.257 1.00 0.00 N ATOM 328 CA CYS A 21 37.623 -26.800 9.028 1.00 0.00 C ATOM 329 C CYS A 21 37.226 -28.282 8.852 1.00 0.00 C ATOM 330 O CYS A 21 37.197 -28.786 7.726 1.00 0.00 O ATOM 331 CB CYS A 21 39.148 -26.625 9.034 1.00 0.00 C ATOM 332 SG CYS A 21 39.554 -24.881 8.727 1.00 0.00 S ATOM 0 H CYS A 21 37.795 -25.964 10.939 1.00 0.00 H new ATOM 0 HA CYS A 21 37.194 -26.277 8.173 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.558 -26.942 9.993 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.601 -27.256 8.269 1.00 0.00 H new ATOM 0 HG CYS A 21 39.402 -24.200 9.824 1.00 0.00 H new ATOM 338 N GLN A 22 36.871 -28.975 9.939 1.00 0.00 N ATOM 339 CA GLN A 22 36.448 -30.381 9.957 1.00 0.00 C ATOM 340 C GLN A 22 34.929 -30.525 10.153 1.00 0.00 C ATOM 341 O GLN A 22 34.333 -31.493 9.673 1.00 0.00 O ATOM 342 CB GLN A 22 37.189 -31.104 11.094 1.00 0.00 C ATOM 343 CG GLN A 22 38.713 -31.135 10.897 1.00 0.00 C ATOM 344 CD GLN A 22 39.425 -31.541 12.182 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.695 -32.706 12.444 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.746 -30.590 13.032 1.00 0.00 N ATOM 0 H GLN A 22 36.870 -28.555 10.869 1.00 0.00 H new ATOM 0 HA GLN A 22 36.693 -30.825 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 22 36.961 -30.611 12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.818 -32.126 11.169 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.966 -31.835 10.101 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.062 -30.152 10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.523 -29.618 12.818 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.218 -30.825 13.905 1.00 0.00 H new ATOM 355 N CYS A 23 34.303 -29.561 10.835 1.00 0.00 N ATOM 356 CA CYS A 23 32.873 -29.514 11.101 1.00 0.00 C ATOM 357 C CYS A 23 32.073 -29.159 9.834 1.00 0.00 C ATOM 358 O CYS A 23 32.583 -28.521 8.905 1.00 0.00 O ATOM 359 CB CYS A 23 32.634 -28.531 12.254 1.00 0.00 C ATOM 360 SG CYS A 23 30.972 -28.747 12.955 1.00 0.00 S ATOM 0 H CYS A 23 34.803 -28.764 11.229 1.00 0.00 H new ATOM 0 HA CYS A 23 32.512 -30.499 11.399 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.383 -28.685 13.030 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.752 -27.508 11.896 1.00 0.00 H new ATOM 0 HG CYS A 23 30.924 -28.200 14.133 1.00 0.00 H new ATOM 365 N ARG A 24 30.807 -29.582 9.789 1.00 0.00 N ATOM 366 CA ARG A 24 29.896 -29.403 8.641 1.00 0.00 C ATOM 367 C ARG A 24 28.504 -28.883 9.014 1.00 0.00 C ATOM 368 O ARG A 24 27.779 -28.422 8.132 1.00 0.00 O ATOM 369 CB ARG A 24 29.789 -30.741 7.882 1.00 0.00 C ATOM 370 CG ARG A 24 31.125 -31.310 7.355 1.00 0.00 C ATOM 371 CD ARG A 24 31.799 -30.420 6.299 1.00 0.00 C ATOM 372 NE ARG A 24 33.133 -30.935 5.921 1.00 0.00 N ATOM 373 CZ ARG A 24 34.315 -30.422 6.228 1.00 0.00 C ATOM 374 NH1 ARG A 24 34.469 -29.387 7.000 1.00 0.00 N ATOM 375 NH2 ARG A 24 35.409 -30.944 5.753 1.00 0.00 N ATOM 0 H ARG A 24 30.369 -30.073 10.569 1.00 0.00 H new ATOM 0 HA ARG A 24 30.327 -28.627 8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.334 -31.479 8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.112 -30.608 7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 24 31.808 -31.446 8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 24 30.946 -32.296 6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 24 31.166 -30.363 5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 24 31.897 -29.406 6.686 1.00 0.00 H new ATOM 0 HE ARG A 24 33.144 -31.785 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 24 33.654 -28.926 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 24 35.405 -29.036 7.201 1.00 0.00 H new ATOM 0 HH21 ARG A 24 35.361 -31.756 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 24 36.314 -30.541 5.996 1.00 0.00 H new ATOM 389 N ASN A 25 28.123 -28.932 10.293 1.00 0.00 N ATOM 390 CA ASN A 25 26.843 -28.444 10.789 1.00 0.00 C ATOM 391 C ASN A 25 26.618 -26.952 10.505 1.00 0.00 C ATOM 392 O ASN A 25 27.523 -26.128 10.670 1.00 0.00 O ATOM 393 CB ASN A 25 26.854 -28.648 12.304 1.00 0.00 C ATOM 394 CG ASN A 25 25.493 -28.839 12.925 1.00 0.00 C ATOM 395 OD1 ASN A 25 24.519 -28.170 12.611 1.00 0.00 O ATOM 396 ND2 ASN A 25 25.425 -29.776 13.833 1.00 0.00 N ATOM 0 H ASN A 25 28.714 -29.323 11.027 1.00 0.00 H new ATOM 0 HA ASN A 25 26.044 -28.988 10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 25 27.469 -29.518 12.535 1.00 0.00 H new ATOM 0 HB3 ASN A 25 27.333 -27.786 12.769 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.540 -29.967 14.303 1.00 0.00 H new ATOM 0 HD22 ASN A 25 26.257 -30.316 14.072 1.00 0.00 H new ATOM 403 N ALA A 26 25.380 -26.609 10.167 1.00 0.00 N ATOM 404 CA ALA A 26 24.924 -25.239 9.966 1.00 0.00 C ATOM 405 C ALA A 26 24.704 -24.472 11.288 1.00 0.00 C ATOM 406 O ALA A 26 24.713 -23.240 11.305 1.00 0.00 O ATOM 407 CB ALA A 26 23.612 -25.362 9.196 1.00 0.00 C ATOM 0 H ALA A 26 24.643 -27.299 10.021 1.00 0.00 H new ATOM 0 HA ALA A 26 25.680 -24.665 9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 26 23.207 -24.368 9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.793 -25.867 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 26 22.898 -25.939 9.784 1.00 0.00 H new ATOM 413 N ASN A 27 24.489 -25.203 12.388 1.00 0.00 N ATOM 414 CA ASN A 27 24.183 -24.686 13.725 1.00 0.00 C ATOM 415 C ASN A 27 24.924 -25.479 14.827 1.00 0.00 C ATOM 416 O ASN A 27 24.318 -25.883 15.826 1.00 0.00 O ATOM 417 CB ASN A 27 22.649 -24.684 13.911 1.00 0.00 C ATOM 418 CG ASN A 27 21.932 -23.724 12.975 1.00 0.00 C ATOM 419 OD1 ASN A 27 21.828 -22.532 13.230 1.00 0.00 O ATOM 420 ND2 ASN A 27 21.406 -24.206 11.869 1.00 0.00 N ATOM 0 H ASN A 27 24.526 -26.222 12.368 1.00 0.00 H new ATOM 0 HA ASN A 27 24.544 -23.662 13.819 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.269 -25.692 13.747 1.00 0.00 H new ATOM 0 HB3 ASN A 27 22.415 -24.418 14.942 1.00 0.00 H new ATOM 0 HD21 ASN A 27 20.913 -23.586 11.226 1.00 0.00 H new ATOM 0 HD22 ASN A 27 21.492 -25.199 11.654 1.00 0.00 H new ATOM 427 N CYS A 28 26.233 -25.719 14.643 1.00 0.00 N ATOM 428 CA CYS A 28 27.090 -26.411 15.613 1.00 0.00 C ATOM 429 C CYS A 28 26.981 -25.761 17.012 1.00 0.00 C ATOM 430 O CYS A 28 26.808 -24.543 17.124 1.00 0.00 O ATOM 431 CB CYS A 28 28.535 -26.370 15.094 1.00 0.00 C ATOM 432 SG CYS A 28 29.600 -27.498 16.040 1.00 0.00 S ATOM 0 H CYS A 28 26.731 -25.432 13.801 1.00 0.00 H new ATOM 0 HA CYS A 28 26.767 -27.447 15.719 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.554 -26.645 14.039 1.00 0.00 H new ATOM 0 HB3 CYS A 28 28.922 -25.354 15.165 1.00 0.00 H new ATOM 0 HG CYS A 28 30.669 -26.866 16.424 1.00 0.00 H new ATOM 437 N SER A 29 27.071 -26.542 18.091 1.00 0.00 N ATOM 438 CA SER A 29 26.940 -26.024 19.462 1.00 0.00 C ATOM 439 C SER A 29 28.013 -25.005 19.886 1.00 0.00 C ATOM 440 O SER A 29 27.794 -24.270 20.855 1.00 0.00 O ATOM 441 CB SER A 29 26.860 -27.173 20.474 1.00 0.00 C ATOM 442 OG SER A 29 28.040 -27.964 20.453 1.00 0.00 O ATOM 0 H SER A 29 27.236 -27.547 18.044 1.00 0.00 H new ATOM 0 HA SER A 29 26.005 -25.464 19.457 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.709 -26.769 21.475 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.996 -27.799 20.249 1.00 0.00 H new ATOM 0 HG SER A 29 27.961 -28.687 21.109 1.00 0.00 H new ATOM 448 N LEU A 30 29.136 -24.899 19.165 1.00 0.00 N ATOM 449 CA LEU A 30 30.168 -23.889 19.426 1.00 0.00 C ATOM 450 C LEU A 30 29.768 -22.542 18.784 1.00 0.00 C ATOM 451 O LEU A 30 29.492 -22.496 17.580 1.00 0.00 O ATOM 452 CB LEU A 30 31.532 -24.356 18.882 1.00 0.00 C ATOM 453 CG LEU A 30 32.315 -25.295 19.817 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.591 -25.761 19.113 1.00 0.00 C ATOM 455 CD2 LEU A 30 32.736 -24.603 21.120 1.00 0.00 C ATOM 0 H LEU A 30 29.355 -25.514 18.381 1.00 0.00 H new ATOM 0 HA LEU A 30 30.256 -23.753 20.504 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.373 -24.864 17.931 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.145 -23.478 18.676 1.00 0.00 H new ATOM 0 HG LEU A 30 31.655 -26.128 20.057 1.00 0.00 H new ATOM 0 HD11 LEU A 30 34.148 -26.426 19.773 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.328 -26.293 18.198 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.207 -24.896 18.866 1.00 0.00 H new ATOM 0 HD21 LEU A 30 33.285 -25.307 21.745 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.373 -23.749 20.889 1.00 0.00 H new ATOM 0 HD23 LEU A 30 31.849 -24.260 21.653 1.00 0.00 H new ATOM 467 N PRO A 31 29.758 -21.426 19.543 1.00 0.00 N ATOM 468 CA PRO A 31 29.406 -20.109 19.006 1.00 0.00 C ATOM 469 C PRO A 31 30.430 -19.610 17.974 1.00 0.00 C ATOM 470 O PRO A 31 30.064 -18.930 17.013 1.00 0.00 O ATOM 471 CB PRO A 31 29.317 -19.185 20.227 1.00 0.00 C ATOM 472 CG PRO A 31 30.239 -19.845 21.253 1.00 0.00 C ATOM 473 CD PRO A 31 30.080 -21.332 20.960 1.00 0.00 C ATOM 0 HA PRO A 31 28.463 -20.140 18.460 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.644 -18.173 19.988 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.295 -19.110 20.598 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.272 -19.520 21.134 1.00 0.00 H new ATOM 0 HG3 PRO A 31 29.944 -19.602 22.274 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.996 -21.876 21.189 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.289 -21.768 21.570 1.00 0.00 H new ATOM 481 N SER A 32 31.707 -19.970 18.142 1.00 0.00 N ATOM 482 CA SER A 32 32.790 -19.618 17.221 1.00 0.00 C ATOM 483 C SER A 32 32.712 -20.406 15.909 1.00 0.00 C ATOM 484 O SER A 32 32.821 -19.798 14.853 1.00 0.00 O ATOM 485 CB SER A 32 34.143 -19.833 17.898 1.00 0.00 C ATOM 486 OG SER A 32 34.220 -21.141 18.443 1.00 0.00 O ATOM 0 H SER A 32 32.021 -20.525 18.938 1.00 0.00 H new ATOM 0 HA SER A 32 32.678 -18.564 16.967 1.00 0.00 H new ATOM 0 HB2 SER A 32 34.946 -19.685 17.176 1.00 0.00 H new ATOM 0 HB3 SER A 32 34.284 -19.094 18.687 1.00 0.00 H new ATOM 0 HG SER A 32 35.156 -21.364 18.626 1.00 0.00 H new ATOM 492 N CYS A 33 32.485 -21.722 15.940 1.00 0.00 N ATOM 493 CA CYS A 33 32.328 -22.597 14.768 1.00 0.00 C ATOM 494 C CYS A 33 31.320 -22.026 13.741 1.00 0.00 C ATOM 495 O CYS A 33 31.636 -21.875 12.554 1.00 0.00 O ATOM 496 CB CYS A 33 31.927 -23.985 15.303 1.00 0.00 C ATOM 497 SG CYS A 33 31.695 -25.226 13.995 1.00 0.00 S ATOM 0 H CYS A 33 32.401 -22.232 16.819 1.00 0.00 H new ATOM 0 HA CYS A 33 33.262 -22.670 14.210 1.00 0.00 H new ATOM 0 HB2 CYS A 33 32.694 -24.335 15.993 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.003 -23.893 15.874 1.00 0.00 H new ATOM 0 HG CYS A 33 31.050 -26.248 14.475 1.00 0.00 H new ATOM 502 N GLN A 34 30.134 -21.611 14.214 1.00 0.00 N ATOM 503 CA GLN A 34 29.090 -20.972 13.396 1.00 0.00 C ATOM 504 C GLN A 34 29.582 -19.704 12.661 1.00 0.00 C ATOM 505 O GLN A 34 29.101 -19.391 11.569 1.00 0.00 O ATOM 506 CB GLN A 34 27.883 -20.599 14.277 1.00 0.00 C ATOM 507 CG GLN A 34 27.124 -21.797 14.877 1.00 0.00 C ATOM 508 CD GLN A 34 25.924 -21.357 15.726 1.00 0.00 C ATOM 509 OE1 GLN A 34 25.280 -20.343 15.485 1.00 0.00 O ATOM 510 NE2 GLN A 34 25.558 -22.092 16.755 1.00 0.00 N ATOM 0 H GLN A 34 29.869 -21.712 15.194 1.00 0.00 H new ATOM 0 HA GLN A 34 28.807 -21.702 12.638 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.229 -19.962 15.091 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.187 -20.007 13.683 1.00 0.00 H new ATOM 0 HG2 GLN A 34 26.779 -22.446 14.072 1.00 0.00 H new ATOM 0 HG3 GLN A 34 27.805 -22.386 15.491 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.073 -22.942 16.983 1.00 0.00 H new ATOM 0 HE22 GLN A 34 24.760 -21.811 17.324 1.00 0.00 H new ATOM 519 N LYS A 35 30.554 -18.984 13.239 1.00 0.00 N ATOM 520 CA LYS A 35 31.166 -17.761 12.694 1.00 0.00 C ATOM 521 C LYS A 35 32.372 -18.087 11.807 1.00 0.00 C ATOM 522 O LYS A 35 32.476 -17.555 10.706 1.00 0.00 O ATOM 523 CB LYS A 35 31.523 -16.864 13.897 1.00 0.00 C ATOM 524 CG LYS A 35 32.147 -15.507 13.550 1.00 0.00 C ATOM 525 CD LYS A 35 32.375 -14.712 14.848 1.00 0.00 C ATOM 526 CE LYS A 35 33.054 -13.377 14.534 1.00 0.00 C ATOM 527 NZ LYS A 35 33.220 -12.519 15.736 1.00 0.00 N ATOM 0 H LYS A 35 30.954 -19.249 14.139 1.00 0.00 H new ATOM 0 HA LYS A 35 30.475 -17.231 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 35 30.618 -16.689 14.478 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.215 -17.408 14.540 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.092 -15.650 13.026 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.491 -14.952 12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 35 31.423 -14.536 15.348 1.00 0.00 H new ATOM 0 HD3 LYS A 35 32.993 -15.291 15.534 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.032 -13.567 14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.465 -12.841 13.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.093 -11.961 15.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.406 -11.877 15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.277 -13.118 16.585 1.00 0.00 H new ATOM 541 N MET A 36 33.242 -19.005 12.230 1.00 0.00 N ATOM 542 CA MET A 36 34.421 -19.469 11.487 1.00 0.00 C ATOM 543 C MET A 36 34.061 -20.006 10.097 1.00 0.00 C ATOM 544 O MET A 36 34.766 -19.729 9.124 1.00 0.00 O ATOM 545 CB MET A 36 35.160 -20.543 12.300 1.00 0.00 C ATOM 546 CG MET A 36 35.880 -19.987 13.531 1.00 0.00 C ATOM 547 SD MET A 36 37.174 -18.783 13.103 1.00 0.00 S ATOM 548 CE MET A 36 38.127 -18.742 14.637 1.00 0.00 C ATOM 0 H MET A 36 33.143 -19.466 13.135 1.00 0.00 H new ATOM 0 HA MET A 36 35.074 -18.609 11.337 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.446 -21.302 12.618 1.00 0.00 H new ATOM 0 HB3 MET A 36 35.887 -21.039 11.657 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.152 -19.513 14.189 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.326 -20.810 14.089 1.00 0.00 H new ATOM 0 HE1 MET A 36 38.969 -18.059 14.524 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.489 -18.401 15.452 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.499 -19.742 14.861 1.00 0.00 H new ATOM 558 N LYS A 37 32.935 -20.721 9.976 1.00 0.00 N ATOM 559 CA LYS A 37 32.424 -21.201 8.682 1.00 0.00 C ATOM 560 C LYS A 37 32.090 -20.021 7.757 1.00 0.00 C ATOM 561 O LYS A 37 32.536 -20.007 6.613 1.00 0.00 O ATOM 562 CB LYS A 37 31.225 -22.135 8.918 1.00 0.00 C ATOM 563 CG LYS A 37 31.694 -23.506 9.442 1.00 0.00 C ATOM 564 CD LYS A 37 30.544 -24.300 10.069 1.00 0.00 C ATOM 565 CE LYS A 37 31.055 -25.676 10.506 1.00 0.00 C ATOM 566 NZ LYS A 37 30.253 -26.207 11.623 1.00 0.00 N ATOM 0 H LYS A 37 32.352 -20.984 10.771 1.00 0.00 H new ATOM 0 HA LYS A 37 33.195 -21.779 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.541 -21.681 9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.672 -22.266 7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.127 -24.079 8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.482 -23.362 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.140 -23.761 10.926 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.731 -24.413 9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.015 -26.367 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.100 -25.601 10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.468 -27.216 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.482 -25.686 12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.242 -26.094 11.408 1.00 0.00 H new ATOM 580 N ARG A 38 31.395 -18.983 8.247 1.00 0.00 N ATOM 581 CA ARG A 38 31.093 -17.762 7.462 1.00 0.00 C ATOM 582 C ARG A 38 32.371 -17.002 7.079 1.00 0.00 C ATOM 583 O ARG A 38 32.474 -16.491 5.966 1.00 0.00 O ATOM 584 CB ARG A 38 30.118 -16.847 8.229 1.00 0.00 C ATOM 585 CG ARG A 38 28.744 -17.505 8.446 1.00 0.00 C ATOM 586 CD ARG A 38 27.812 -16.633 9.298 1.00 0.00 C ATOM 587 NE ARG A 38 27.331 -15.439 8.569 1.00 0.00 N ATOM 588 CZ ARG A 38 27.069 -14.246 9.073 1.00 0.00 C ATOM 589 NH1 ARG A 38 27.281 -13.948 10.323 1.00 0.00 N ATOM 590 NH2 ARG A 38 26.576 -13.316 8.311 1.00 0.00 N ATOM 0 H ARG A 38 31.024 -18.960 9.197 1.00 0.00 H new ATOM 0 HA ARG A 38 30.612 -18.078 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.551 -16.588 9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 38 29.989 -15.915 7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.278 -17.696 7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 38 28.879 -18.472 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 38 26.957 -17.227 9.620 1.00 0.00 H new ATOM 0 HD3 ARG A 38 28.338 -16.317 10.199 1.00 0.00 H new ATOM 0 HE ARG A 38 27.185 -15.549 7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.665 -14.649 10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.064 -13.013 10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 38 26.392 -13.508 7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 38 26.373 -12.394 8.698 1.00 0.00 H new ATOM 604 N VAL A 39 33.354 -16.961 7.981 1.00 0.00 N ATOM 605 CA VAL A 39 34.664 -16.316 7.783 1.00 0.00 C ATOM 606 C VAL A 39 35.455 -16.978 6.649 1.00 0.00 C ATOM 607 O VAL A 39 35.864 -16.281 5.719 1.00 0.00 O ATOM 608 CB VAL A 39 35.458 -16.324 9.108 1.00 0.00 C ATOM 609 CG1 VAL A 39 36.907 -15.871 8.979 1.00 0.00 C ATOM 610 CG2 VAL A 39 34.842 -15.373 10.129 1.00 0.00 C ATOM 0 H VAL A 39 33.262 -17.389 8.902 1.00 0.00 H new ATOM 0 HA VAL A 39 34.497 -15.281 7.484 1.00 0.00 H new ATOM 0 HB VAL A 39 35.421 -17.369 9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.388 -15.908 9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.434 -16.531 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 39 36.937 -14.850 8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.424 -15.402 11.050 1.00 0.00 H new ATOM 0 HG22 VAL A 39 34.845 -14.359 9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.817 -15.678 10.338 1.00 0.00 H new ATOM 620 N VAL A 40 35.648 -18.307 6.674 1.00 0.00 N ATOM 621 CA VAL A 40 36.367 -19.000 5.586 1.00 0.00 C ATOM 622 C VAL A 40 35.598 -18.869 4.264 1.00 0.00 C ATOM 623 O VAL A 40 36.207 -18.551 3.245 1.00 0.00 O ATOM 624 CB VAL A 40 36.744 -20.455 5.950 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.618 -21.479 5.767 1.00 0.00 C ATOM 626 CG2 VAL A 40 37.961 -20.918 5.136 1.00 0.00 C ATOM 0 H VAL A 40 35.322 -18.918 7.423 1.00 0.00 H new ATOM 0 HA VAL A 40 37.326 -18.502 5.443 1.00 0.00 H new ATOM 0 HB VAL A 40 36.968 -20.420 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 40 35.978 -22.469 6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 40 34.773 -21.207 6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.302 -21.490 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.211 -21.944 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.727 -20.870 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.810 -20.269 5.351 1.00 0.00 H new ATOM 636 N GLN A 41 34.264 -19.035 4.270 1.00 0.00 N ATOM 637 CA GLN A 41 33.399 -18.862 3.092 1.00 0.00 C ATOM 638 C GLN A 41 33.556 -17.479 2.446 1.00 0.00 C ATOM 639 O GLN A 41 33.642 -17.395 1.220 1.00 0.00 O ATOM 640 CB GLN A 41 31.926 -19.074 3.475 1.00 0.00 C ATOM 641 CG GLN A 41 31.548 -20.552 3.681 1.00 0.00 C ATOM 642 CD GLN A 41 31.670 -21.384 2.410 1.00 0.00 C ATOM 643 OE1 GLN A 41 32.628 -22.120 2.217 1.00 0.00 O ATOM 644 NE2 GLN A 41 30.730 -21.301 1.494 1.00 0.00 N ATOM 0 H GLN A 41 33.748 -19.298 5.110 1.00 0.00 H new ATOM 0 HA GLN A 41 33.710 -19.610 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.715 -18.523 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.292 -18.651 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.189 -20.981 4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.524 -20.611 4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 41 29.926 -20.691 1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 41 30.805 -21.846 0.635 1.00 0.00 H new ATOM 653 N HIS A 42 33.620 -16.406 3.246 1.00 0.00 N ATOM 654 CA HIS A 42 33.849 -15.057 2.721 1.00 0.00 C ATOM 655 C HIS A 42 35.189 -14.995 1.957 1.00 0.00 C ATOM 656 O HIS A 42 35.210 -14.656 0.773 1.00 0.00 O ATOM 657 CB HIS A 42 33.792 -14.009 3.854 1.00 0.00 C ATOM 658 CG HIS A 42 34.461 -12.715 3.450 1.00 0.00 C ATOM 659 ND1 HIS A 42 34.009 -11.831 2.492 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.792 -12.444 3.645 1.00 0.00 C ATOM 661 CE1 HIS A 42 35.057 -11.092 2.081 1.00 0.00 C ATOM 662 NE2 HIS A 42 36.166 -11.434 2.755 1.00 0.00 N ATOM 0 H HIS A 42 33.516 -16.448 4.260 1.00 0.00 H new ATOM 0 HA HIS A 42 33.052 -14.819 2.016 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.753 -13.815 4.119 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.278 -14.408 4.744 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.050 -11.751 2.154 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.439 -12.928 4.362 1.00 0.00 H new ATOM 0 HE1 HIS A 42 35.011 -10.331 1.316 1.00 0.00 H new ATOM 670 N THR A 43 36.299 -15.358 2.610 1.00 0.00 N ATOM 671 CA THR A 43 37.651 -15.310 2.023 1.00 0.00 C ATOM 672 C THR A 43 37.788 -16.198 0.786 1.00 0.00 C ATOM 673 O THR A 43 38.431 -15.815 -0.195 1.00 0.00 O ATOM 674 CB THR A 43 38.690 -15.658 3.096 1.00 0.00 C ATOM 675 OG1 THR A 43 38.798 -14.575 3.986 1.00 0.00 O ATOM 676 CG2 THR A 43 40.086 -15.982 2.565 1.00 0.00 C ATOM 0 H THR A 43 36.288 -15.698 3.572 1.00 0.00 H new ATOM 0 HA THR A 43 37.832 -14.293 1.674 1.00 0.00 H new ATOM 0 HB THR A 43 38.328 -16.567 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.890 -13.742 3.478 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.748 -16.215 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.030 -16.840 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.477 -15.122 2.021 1.00 0.00 H new ATOM 684 N LYS A 44 37.122 -17.360 0.785 1.00 0.00 N ATOM 685 CA LYS A 44 37.042 -18.310 -0.339 1.00 0.00 C ATOM 686 C LYS A 44 36.396 -17.720 -1.613 1.00 0.00 C ATOM 687 O LYS A 44 36.414 -18.377 -2.656 1.00 0.00 O ATOM 688 CB LYS A 44 36.314 -19.578 0.152 1.00 0.00 C ATOM 689 CG LYS A 44 37.262 -20.525 0.912 1.00 0.00 C ATOM 690 CD LYS A 44 36.528 -21.620 1.706 1.00 0.00 C ATOM 691 CE LYS A 44 35.558 -22.424 0.840 1.00 0.00 C ATOM 692 NZ LYS A 44 34.952 -23.563 1.575 1.00 0.00 N ATOM 0 H LYS A 44 36.601 -17.680 1.601 1.00 0.00 H new ATOM 0 HA LYS A 44 38.057 -18.558 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.487 -19.293 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 44 35.883 -20.103 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.940 -20.996 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.875 -19.940 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 44 37.260 -22.296 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.980 -21.161 2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 44 34.767 -21.766 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 44 36.085 -22.800 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 34.833 -24.369 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 35.574 -23.839 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 34.024 -23.280 1.950 1.00 0.00 H new ATOM 706 N GLY A 45 35.859 -16.496 -1.556 1.00 0.00 N ATOM 707 CA GLY A 45 35.247 -15.777 -2.679 1.00 0.00 C ATOM 708 C GLY A 45 35.420 -14.246 -2.646 1.00 0.00 C ATOM 709 O GLY A 45 34.686 -13.552 -3.355 1.00 0.00 O ATOM 0 H GLY A 45 35.838 -15.957 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.673 -16.155 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 45 34.182 -16.007 -2.700 1.00 0.00 H new ATOM 713 N CYS A 46 36.348 -13.707 -1.840 1.00 0.00 N ATOM 714 CA CYS A 46 36.586 -12.265 -1.712 1.00 0.00 C ATOM 715 C CYS A 46 37.026 -11.601 -3.032 1.00 0.00 C ATOM 716 O CYS A 46 37.686 -12.208 -3.887 1.00 0.00 O ATOM 717 CB CYS A 46 37.582 -12.022 -0.569 1.00 0.00 C ATOM 718 SG CYS A 46 37.718 -10.246 -0.173 1.00 0.00 S ATOM 0 H CYS A 46 36.962 -14.271 -1.252 1.00 0.00 H new ATOM 0 HA CYS A 46 35.640 -11.782 -1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 46 37.263 -12.571 0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 46 38.561 -12.410 -0.849 1.00 0.00 H new ATOM 0 HG CYS A 46 36.550 -9.787 0.167 1.00 0.00 H new ATOM 723 N LYS A 47 36.673 -10.321 -3.168 1.00 0.00 N ATOM 724 CA LYS A 47 36.954 -9.448 -4.318 1.00 0.00 C ATOM 725 C LYS A 47 37.971 -8.342 -3.991 1.00 0.00 C ATOM 726 O LYS A 47 38.242 -7.503 -4.855 1.00 0.00 O ATOM 727 CB LYS A 47 35.627 -8.858 -4.843 1.00 0.00 C ATOM 728 CG LYS A 47 34.552 -9.894 -5.233 1.00 0.00 C ATOM 729 CD LYS A 47 34.970 -10.912 -6.307 1.00 0.00 C ATOM 730 CE LYS A 47 35.346 -10.234 -7.632 1.00 0.00 C ATOM 731 NZ LYS A 47 35.659 -11.232 -8.689 1.00 0.00 N ATOM 0 H LYS A 47 36.153 -9.834 -2.438 1.00 0.00 H new ATOM 0 HA LYS A 47 37.417 -10.053 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.213 -8.200 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 47 35.843 -8.238 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.256 -10.439 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 47 33.670 -9.360 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.818 -11.493 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 47 34.153 -11.613 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 47 34.524 -9.599 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 47 36.208 -9.585 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 35.909 -10.738 -9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 36.460 -11.821 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 34.828 -11.835 -8.854 1.00 0.00 H new ATOM 745 N ARG A 48 38.545 -8.329 -2.777 1.00 0.00 N ATOM 746 CA ARG A 48 39.536 -7.327 -2.332 1.00 0.00 C ATOM 747 C ARG A 48 40.742 -7.943 -1.618 1.00 0.00 C ATOM 748 O ARG A 48 41.854 -7.546 -1.958 1.00 0.00 O ATOM 749 CB ARG A 48 38.864 -6.187 -1.531 1.00 0.00 C ATOM 750 CG ARG A 48 37.790 -6.687 -0.558 1.00 0.00 C ATOM 751 CD ARG A 48 37.404 -5.695 0.541 1.00 0.00 C ATOM 752 NE ARG A 48 36.969 -6.455 1.719 1.00 0.00 N ATOM 753 CZ ARG A 48 36.082 -6.163 2.640 1.00 0.00 C ATOM 754 NH1 ARG A 48 35.382 -5.068 2.675 1.00 0.00 N ATOM 755 NH2 ARG A 48 35.901 -6.997 3.608 1.00 0.00 N ATOM 0 H ARG A 48 38.332 -9.025 -2.063 1.00 0.00 H new ATOM 0 HA ARG A 48 39.954 -6.875 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 48 39.627 -5.645 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 48 38.414 -5.479 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 48 36.896 -6.943 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 48 38.144 -7.606 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 48 38.252 -5.058 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 48 36.605 -5.039 0.196 1.00 0.00 H new ATOM 0 HE ARG A 48 37.431 -7.356 1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 48 35.504 -4.361 1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 48 34.710 -4.916 3.427 1.00 0.00 H new ATOM 0 HH21 ARG A 48 36.442 -7.861 3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 48 35.217 -6.792 4.336 1.00 0.00 H new ATOM 769 N LYS A 49 40.559 -8.920 -0.719 1.00 0.00 N ATOM 770 CA LYS A 49 41.600 -9.650 0.041 1.00 0.00 C ATOM 771 C LYS A 49 42.792 -8.813 0.564 1.00 0.00 C ATOM 772 O LYS A 49 42.710 -7.587 0.668 1.00 0.00 O ATOM 773 CB LYS A 49 41.978 -10.950 -0.698 1.00 0.00 C ATOM 774 CG LYS A 49 42.583 -10.802 -2.108 1.00 0.00 C ATOM 775 CD LYS A 49 41.591 -11.142 -3.235 1.00 0.00 C ATOM 776 CE LYS A 49 41.302 -12.651 -3.272 1.00 0.00 C ATOM 777 NZ LYS A 49 40.365 -13.011 -4.368 1.00 0.00 N ATOM 0 H LYS A 49 39.622 -9.247 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 49 41.146 -9.927 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 49 42.690 -11.497 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.083 -11.568 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.935 -9.779 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.454 -11.452 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 49 40.661 -10.593 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 49 41.999 -10.822 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 49 42.237 -13.196 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 49 40.880 -12.963 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 40.366 -14.042 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 39.405 -12.695 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 40.667 -12.548 -5.249 1.00 0.00 H new ATOM 791 N THR A 50 43.914 -9.446 0.925 1.00 0.00 N ATOM 792 CA THR A 50 45.127 -8.768 1.438 1.00 0.00 C ATOM 793 C THR A 50 45.721 -7.756 0.451 1.00 0.00 C ATOM 794 O THR A 50 46.244 -6.723 0.872 1.00 0.00 O ATOM 795 CB THR A 50 46.244 -9.773 1.780 1.00 0.00 C ATOM 796 OG1 THR A 50 46.368 -10.718 0.742 1.00 0.00 O ATOM 797 CG2 THR A 50 45.990 -10.538 3.075 1.00 0.00 C ATOM 0 H THR A 50 44.014 -10.460 0.871 1.00 0.00 H new ATOM 0 HA THR A 50 44.786 -8.245 2.331 1.00 0.00 H new ATOM 0 HB THR A 50 47.153 -9.185 1.904 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.080 -11.354 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 50 46.814 -11.228 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.916 -9.835 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 50 45.059 -11.098 2.990 1.00 0.00 H new ATOM 805 N ASN A 51 45.653 -8.036 -0.855 1.00 0.00 N ATOM 806 CA ASN A 51 46.210 -7.181 -1.911 1.00 0.00 C ATOM 807 C ASN A 51 45.442 -5.859 -2.117 1.00 0.00 C ATOM 808 O ASN A 51 46.043 -4.862 -2.525 1.00 0.00 O ATOM 809 CB ASN A 51 46.292 -7.992 -3.217 1.00 0.00 C ATOM 810 CG ASN A 51 47.124 -9.254 -3.050 1.00 0.00 C ATOM 811 OD1 ASN A 51 46.617 -10.366 -3.081 1.00 0.00 O ATOM 812 ND2 ASN A 51 48.417 -9.122 -2.863 1.00 0.00 N ATOM 0 H ASN A 51 45.202 -8.877 -1.215 1.00 0.00 H new ATOM 0 HA ASN A 51 47.207 -6.876 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 51 45.287 -8.260 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 51 46.726 -7.373 -4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 51 49.002 -9.949 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 51 48.836 -8.193 -2.838 1.00 0.00 H new ATOM 819 N GLY A 52 44.135 -5.835 -1.833 1.00 0.00 N ATOM 820 CA GLY A 52 43.271 -4.656 -1.965 1.00 0.00 C ATOM 821 C GLY A 52 43.028 -3.935 -0.634 1.00 0.00 C ATOM 822 O GLY A 52 42.985 -2.703 -0.616 1.00 0.00 O ATOM 0 H GLY A 52 43.635 -6.658 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 52 43.723 -3.959 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 52 42.313 -4.961 -2.386 1.00 0.00 H new ATOM 826 N GLY A 53 42.912 -4.676 0.479 1.00 0.00 N ATOM 827 CA GLY A 53 42.754 -4.103 1.827 1.00 0.00 C ATOM 828 C GLY A 53 41.676 -4.730 2.723 1.00 0.00 C ATOM 829 O GLY A 53 41.325 -4.120 3.736 1.00 0.00 O ATOM 0 H GLY A 53 42.925 -5.696 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.711 -4.179 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.532 -3.041 1.721 1.00 0.00 H new ATOM 833 N CYS A 54 41.138 -5.906 2.380 1.00 0.00 N ATOM 834 CA CYS A 54 40.109 -6.596 3.156 1.00 0.00 C ATOM 835 C CYS A 54 40.553 -6.880 4.612 1.00 0.00 C ATOM 836 O CYS A 54 41.564 -7.569 4.817 1.00 0.00 O ATOM 837 CB CYS A 54 39.784 -7.902 2.432 1.00 0.00 C ATOM 838 SG CYS A 54 38.371 -8.732 3.211 1.00 0.00 S ATOM 0 H CYS A 54 41.413 -6.412 1.538 1.00 0.00 H new ATOM 0 HA CYS A 54 39.230 -5.956 3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 54 39.560 -7.697 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.653 -8.559 2.449 1.00 0.00 H new ATOM 0 HG CYS A 54 38.464 -10.015 3.024 1.00 0.00 H new ATOM 843 N PRO A 55 39.833 -6.377 5.637 1.00 0.00 N ATOM 844 CA PRO A 55 40.178 -6.632 7.030 1.00 0.00 C ATOM 845 C PRO A 55 39.863 -8.074 7.454 1.00 0.00 C ATOM 846 O PRO A 55 40.483 -8.564 8.399 1.00 0.00 O ATOM 847 CB PRO A 55 39.356 -5.624 7.840 1.00 0.00 C ATOM 848 CG PRO A 55 38.103 -5.434 6.987 1.00 0.00 C ATOM 849 CD PRO A 55 38.642 -5.542 5.560 1.00 0.00 C ATOM 0 HA PRO A 55 41.249 -6.516 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 55 39.114 -6.005 8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.894 -4.686 7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.353 -6.198 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.633 -4.468 7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.899 -5.984 4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.882 -4.557 5.159 1.00 0.00 H new ATOM 857 N VAL A 56 38.939 -8.769 6.772 1.00 0.00 N ATOM 858 CA VAL A 56 38.595 -10.159 7.098 1.00 0.00 C ATOM 859 C VAL A 56 39.695 -11.092 6.604 1.00 0.00 C ATOM 860 O VAL A 56 40.321 -11.746 7.439 1.00 0.00 O ATOM 861 CB VAL A 56 37.231 -10.612 6.545 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.887 -11.981 7.152 1.00 0.00 C ATOM 863 CG2 VAL A 56 36.077 -9.659 6.884 1.00 0.00 C ATOM 0 H VAL A 56 38.414 -8.386 5.986 1.00 0.00 H new ATOM 0 HA VAL A 56 38.511 -10.207 8.184 1.00 0.00 H new ATOM 0 HB VAL A 56 37.331 -10.639 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.923 -12.316 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.656 -12.703 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.838 -11.896 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 56 35.150 -10.045 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.976 -9.580 7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.284 -8.674 6.466 1.00 0.00 H new ATOM 873 N CYS A 57 39.977 -11.135 5.298 1.00 0.00 N ATOM 874 CA CYS A 57 41.016 -11.979 4.710 1.00 0.00 C ATOM 875 C CYS A 57 42.354 -11.850 5.447 1.00 0.00 C ATOM 876 O CYS A 57 42.909 -12.848 5.914 1.00 0.00 O ATOM 877 CB CYS A 57 41.145 -11.622 3.228 1.00 0.00 C ATOM 878 SG CYS A 57 39.636 -12.098 2.331 1.00 0.00 S ATOM 0 H CYS A 57 39.478 -10.572 4.609 1.00 0.00 H new ATOM 0 HA CYS A 57 40.728 -13.025 4.810 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.319 -10.552 3.119 1.00 0.00 H new ATOM 0 HB3 CYS A 57 42.008 -12.131 2.798 1.00 0.00 H new ATOM 0 HG CYS A 57 39.286 -11.136 1.530 1.00 0.00 H new ATOM 883 N LYS A 58 42.852 -10.618 5.614 1.00 0.00 N ATOM 884 CA LYS A 58 44.077 -10.317 6.339 1.00 0.00 C ATOM 885 C LYS A 58 44.082 -10.884 7.771 1.00 0.00 C ATOM 886 O LYS A 58 45.142 -11.279 8.259 1.00 0.00 O ATOM 887 CB LYS A 58 44.259 -8.790 6.266 1.00 0.00 C ATOM 888 CG LYS A 58 45.703 -8.399 6.548 1.00 0.00 C ATOM 889 CD LYS A 58 46.033 -6.959 6.135 1.00 0.00 C ATOM 890 CE LYS A 58 47.491 -6.642 6.490 1.00 0.00 C ATOM 891 NZ LYS A 58 47.850 -5.243 6.137 1.00 0.00 N ATOM 0 H LYS A 58 42.397 -9.787 5.236 1.00 0.00 H new ATOM 0 HA LYS A 58 44.934 -10.813 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.968 -8.432 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.600 -8.307 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.904 -8.519 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.367 -9.083 6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.873 -6.832 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 58 45.365 -6.263 6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 58 47.649 -6.800 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 58 48.152 -7.331 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 48.843 -5.065 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.723 -5.099 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 47.236 -4.585 6.658 1.00 0.00 H new ATOM 905 N GLN A 59 42.917 -11.000 8.421 1.00 0.00 N ATOM 906 CA GLN A 59 42.787 -11.600 9.751 1.00 0.00 C ATOM 907 C GLN A 59 42.918 -13.132 9.721 1.00 0.00 C ATOM 908 O GLN A 59 43.645 -13.663 10.562 1.00 0.00 O ATOM 909 CB GLN A 59 41.483 -11.147 10.435 1.00 0.00 C ATOM 910 CG GLN A 59 41.518 -11.507 11.929 1.00 0.00 C ATOM 911 CD GLN A 59 40.471 -10.765 12.739 1.00 0.00 C ATOM 912 OE1 GLN A 59 39.434 -11.307 13.075 1.00 0.00 O ATOM 913 NE2 GLN A 59 40.702 -9.526 13.110 1.00 0.00 N ATOM 0 H GLN A 59 42.031 -10.676 8.033 1.00 0.00 H new ATOM 0 HA GLN A 59 43.622 -11.237 10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 59 41.355 -10.071 10.315 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.628 -11.625 9.958 1.00 0.00 H new ATOM 0 HG2 GLN A 59 41.365 -12.580 12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 59 42.507 -11.282 12.329 1.00 0.00 H new ATOM 0 HE21 GLN A 59 41.568 -9.064 12.833 1.00 0.00 H new ATOM 0 HE22 GLN A 59 40.015 -9.026 13.675 1.00 0.00 H new ATOM 922 N LEU A 60 42.299 -13.850 8.766 1.00 0.00 N ATOM 923 CA LEU A 60 42.469 -15.315 8.665 1.00 0.00 C ATOM 924 C LEU A 60 43.936 -15.654 8.437 1.00 0.00 C ATOM 925 O LEU A 60 44.479 -16.521 9.113 1.00 0.00 O ATOM 926 CB LEU A 60 41.730 -15.973 7.484 1.00 0.00 C ATOM 927 CG LEU A 60 40.208 -16.070 7.556 1.00 0.00 C ATOM 928 CD1 LEU A 60 39.591 -14.703 7.312 1.00 0.00 C ATOM 929 CD2 LEU A 60 39.738 -17.042 6.473 1.00 0.00 C ATOM 0 H LEU A 60 41.683 -13.447 8.060 1.00 0.00 H new ATOM 0 HA LEU A 60 42.061 -15.692 9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 60 41.987 -15.421 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.124 -16.982 7.364 1.00 0.00 H new ATOM 0 HG LEU A 60 39.903 -16.422 8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.505 -14.779 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.943 -14.004 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 60 39.882 -14.343 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.652 -17.127 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 60 40.043 -16.672 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.184 -18.022 6.645 1.00 0.00 H new ATOM 941 N ILE A 61 44.562 -14.972 7.474 1.00 0.00 N ATOM 942 CA ILE A 61 45.968 -15.192 7.109 1.00 0.00 C ATOM 943 C ILE A 61 46.874 -15.037 8.339 1.00 0.00 C ATOM 944 O ILE A 61 47.775 -15.849 8.520 1.00 0.00 O ATOM 945 CB ILE A 61 46.400 -14.259 5.956 1.00 0.00 C ATOM 946 CG1 ILE A 61 45.484 -14.355 4.714 1.00 0.00 C ATOM 947 CG2 ILE A 61 47.854 -14.535 5.521 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.773 -15.532 3.789 1.00 0.00 C ATOM 0 H ILE A 61 44.106 -14.246 6.921 1.00 0.00 H new ATOM 0 HA ILE A 61 46.072 -16.215 6.746 1.00 0.00 H new ATOM 0 HB ILE A 61 46.316 -13.250 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 61 44.449 -14.421 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 61 45.575 -13.432 4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 61 48.125 -13.861 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 61 48.524 -14.372 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.942 -15.567 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 61 45.079 -15.513 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 61 46.795 -15.460 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 61 45.651 -16.465 4.339 1.00 0.00 H new ATOM 960 N ALA A 62 46.621 -14.055 9.216 1.00 0.00 N ATOM 961 CA ALA A 62 47.399 -13.848 10.443 1.00 0.00 C ATOM 962 C ALA A 62 47.233 -15.047 11.383 1.00 0.00 C ATOM 963 O ALA A 62 48.211 -15.662 11.815 1.00 0.00 O ATOM 964 CB ALA A 62 46.957 -12.530 11.108 1.00 0.00 C ATOM 0 H ALA A 62 45.867 -13.379 9.092 1.00 0.00 H new ATOM 0 HA ALA A 62 48.460 -13.770 10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.532 -12.372 12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 62 47.129 -11.701 10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 62 45.896 -12.584 11.353 1.00 0.00 H new ATOM 970 N LEU A 63 45.976 -15.402 11.652 1.00 0.00 N ATOM 971 CA LEU A 63 45.575 -16.523 12.498 1.00 0.00 C ATOM 972 C LEU A 63 46.202 -17.846 12.018 1.00 0.00 C ATOM 973 O LEU A 63 46.747 -18.616 12.812 1.00 0.00 O ATOM 974 CB LEU A 63 44.032 -16.538 12.504 1.00 0.00 C ATOM 975 CG LEU A 63 43.435 -16.776 13.895 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.035 -16.160 13.980 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.375 -18.271 14.189 1.00 0.00 C ATOM 0 H LEU A 63 45.178 -14.895 11.270 1.00 0.00 H new ATOM 0 HA LEU A 63 45.941 -16.407 13.518 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.665 -15.588 12.116 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.680 -17.316 11.827 1.00 0.00 H new ATOM 0 HG LEU A 63 44.072 -16.298 14.640 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.620 -16.335 14.973 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.098 -15.087 13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.390 -16.619 13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 63 42.949 -18.430 15.180 1.00 0.00 H new ATOM 0 HD22 LEU A 63 42.752 -18.764 13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.381 -18.689 14.155 1.00 0.00 H new ATOM 989 N CYS A 64 46.177 -18.074 10.704 1.00 0.00 N ATOM 990 CA CYS A 64 46.784 -19.228 10.053 1.00 0.00 C ATOM 991 C CYS A 64 48.317 -19.170 10.129 1.00 0.00 C ATOM 992 O CYS A 64 48.913 -20.177 10.485 1.00 0.00 O ATOM 993 CB CYS A 64 46.302 -19.325 8.599 1.00 0.00 C ATOM 994 SG CYS A 64 44.510 -19.618 8.555 1.00 0.00 S ATOM 0 H CYS A 64 45.720 -17.441 10.048 1.00 0.00 H new ATOM 0 HA CYS A 64 46.470 -20.128 10.582 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.541 -18.405 8.066 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.824 -20.134 8.088 1.00 0.00 H new ATOM 0 HG CYS A 64 43.882 -18.499 8.762 1.00 0.00 H new ATOM 1000 N CYS A 65 48.968 -18.028 9.863 1.00 0.00 N ATOM 1001 CA CYS A 65 50.430 -17.874 9.968 1.00 0.00 C ATOM 1002 C CYS A 65 50.947 -18.242 11.367 1.00 0.00 C ATOM 1003 O CYS A 65 51.935 -18.967 11.487 1.00 0.00 O ATOM 1004 CB CYS A 65 50.851 -16.430 9.657 1.00 0.00 C ATOM 1005 SG CYS A 65 50.809 -16.049 7.887 1.00 0.00 S ATOM 0 H CYS A 65 48.492 -17.176 9.566 1.00 0.00 H new ATOM 0 HA CYS A 65 50.867 -18.556 9.239 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.192 -15.743 10.187 1.00 0.00 H new ATOM 0 HB3 CYS A 65 51.859 -16.261 10.036 1.00 0.00 H new ATOM 0 HG CYS A 65 50.639 -14.771 7.722 1.00 0.00 H new ATOM 1011 N TYR A 66 50.268 -17.758 12.415 1.00 0.00 N ATOM 1012 CA TYR A 66 50.604 -18.003 13.822 1.00 0.00 C ATOM 1013 C TYR A 66 50.619 -19.497 14.174 1.00 0.00 C ATOM 1014 O TYR A 66 51.459 -19.954 14.950 1.00 0.00 O ATOM 1015 CB TYR A 66 49.579 -17.268 14.689 1.00 0.00 C ATOM 1016 CG TYR A 66 50.029 -16.968 16.102 1.00 0.00 C ATOM 1017 CD1 TYR A 66 50.700 -15.762 16.375 1.00 0.00 C ATOM 1018 CD2 TYR A 66 49.695 -17.840 17.155 1.00 0.00 C ATOM 1019 CE1 TYR A 66 50.927 -15.369 17.705 1.00 0.00 C ATOM 1020 CE2 TYR A 66 49.959 -17.469 18.486 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.559 -16.224 18.764 1.00 0.00 C ATOM 1022 OH TYR A 66 50.784 -15.854 20.050 1.00 0.00 O ATOM 0 H TYR A 66 49.444 -17.167 12.303 1.00 0.00 H new ATOM 0 HA TYR A 66 51.612 -17.633 14.007 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.320 -16.329 14.200 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.669 -17.866 14.734 1.00 0.00 H new ATOM 0 HD1 TYR A 66 51.041 -15.138 15.562 1.00 0.00 H new ATOM 0 HD2 TYR A 66 49.236 -18.794 16.941 1.00 0.00 H new ATOM 0 HE1 TYR A 66 51.383 -14.413 17.916 1.00 0.00 H new ATOM 0 HE2 TYR A 66 49.702 -18.138 19.294 1.00 0.00 H new ATOM 0 HH TYR A 66 50.469 -16.559 20.653 1.00 0.00 H new ATOM 1032 N HIS A 67 49.709 -20.267 13.576 1.00 0.00 N ATOM 1033 CA HIS A 67 49.643 -21.714 13.734 1.00 0.00 C ATOM 1034 C HIS A 67 50.653 -22.414 12.794 1.00 0.00 C ATOM 1035 O HIS A 67 51.480 -23.199 13.259 1.00 0.00 O ATOM 1036 CB HIS A 67 48.191 -22.161 13.486 1.00 0.00 C ATOM 1037 CG HIS A 67 48.054 -23.658 13.398 1.00 0.00 C ATOM 1038 ND1 HIS A 67 48.194 -24.392 12.251 1.00 0.00 N flip ATOM 1039 CD2 HIS A 67 47.996 -24.548 14.449 1.00 0.00 C flip ATOM 1040 CE1 HIS A 67 48.286 -25.742 12.612 1.00 0.00 C flip ATOM 1041 NE2 HIS A 67 48.145 -25.788 13.948 1.00 0.00 N flip ATOM 0 H HIS A 67 48.987 -19.894 12.959 1.00 0.00 H new ATOM 0 HA HIS A 67 49.926 -22.003 14.746 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.557 -21.788 14.291 1.00 0.00 H new ATOM 0 HB3 HIS A 67 47.829 -21.712 12.561 1.00 0.00 H new ATOM 0 HD1 HIS A 67 48.226 -24.021 11.301 1.00 0.00 H new ATOM 0 HD2 HIS A 67 47.856 -24.295 15.490 1.00 0.00 H new ATOM 0 HE1 HIS A 67 48.440 -26.580 11.948 1.00 0.00 H new ATOM 1049 N ALA A 68 50.626 -22.109 11.491 1.00 0.00 N ATOM 1050 CA ALA A 68 51.445 -22.700 10.434 1.00 0.00 C ATOM 1051 C ALA A 68 52.955 -22.718 10.699 1.00 0.00 C ATOM 1052 O ALA A 68 53.613 -23.712 10.389 1.00 0.00 O ATOM 1053 CB ALA A 68 51.144 -21.944 9.138 1.00 0.00 C ATOM 0 H ALA A 68 49.991 -21.398 11.128 1.00 0.00 H new ATOM 0 HA ALA A 68 51.174 -23.754 10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 68 51.740 -22.361 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.085 -22.041 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.391 -20.890 9.266 1.00 0.00 H new ATOM 1059 N LYS A 69 53.519 -21.642 11.269 1.00 0.00 N ATOM 1060 CA LYS A 69 54.958 -21.571 11.582 1.00 0.00 C ATOM 1061 C LYS A 69 55.415 -22.669 12.540 1.00 0.00 C ATOM 1062 O LYS A 69 56.407 -23.360 12.309 1.00 0.00 O ATOM 1063 CB LYS A 69 55.320 -20.191 12.133 1.00 0.00 C ATOM 1064 CG LYS A 69 54.583 -19.663 13.379 1.00 0.00 C ATOM 1065 CD LYS A 69 54.863 -18.172 13.653 1.00 0.00 C ATOM 1066 CE LYS A 69 56.354 -17.844 13.863 1.00 0.00 C ATOM 1067 NZ LYS A 69 56.916 -18.468 15.094 1.00 0.00 N ATOM 0 H LYS A 69 52.998 -20.803 11.525 1.00 0.00 H new ATOM 0 HA LYS A 69 55.490 -21.734 10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 69 56.386 -20.198 12.360 1.00 0.00 H new ATOM 0 HB3 LYS A 69 55.170 -19.468 11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 69 53.511 -19.809 13.250 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.882 -20.250 14.248 1.00 0.00 H new ATOM 0 HD2 LYS A 69 54.486 -17.582 12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 69 54.305 -17.865 14.538 1.00 0.00 H new ATOM 0 HE2 LYS A 69 56.922 -18.185 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.479 -16.763 13.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 57.081 -17.733 15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 56.244 -19.170 15.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 57.816 -18.937 14.866 1.00 0.00 H new ATOM 1081 N HIS A 70 54.653 -22.804 13.615 1.00 0.00 N ATOM 1082 CA HIS A 70 54.825 -23.807 14.667 1.00 0.00 C ATOM 1083 C HIS A 70 54.388 -25.216 14.208 1.00 0.00 C ATOM 1084 O HIS A 70 54.813 -26.212 14.801 1.00 0.00 O ATOM 1085 CB HIS A 70 54.027 -23.376 15.909 1.00 0.00 C ATOM 1086 CG HIS A 70 54.407 -22.016 16.451 1.00 0.00 C ATOM 1087 ND1 HIS A 70 53.586 -20.913 16.537 1.00 0.00 N ATOM 1088 CD2 HIS A 70 55.630 -21.640 16.941 1.00 0.00 C ATOM 1089 CE1 HIS A 70 54.288 -19.901 17.069 1.00 0.00 C ATOM 1090 NE2 HIS A 70 55.553 -20.289 17.314 1.00 0.00 N ATOM 0 H HIS A 70 53.858 -22.189 13.790 1.00 0.00 H new ATOM 0 HA HIS A 70 55.886 -23.869 14.907 1.00 0.00 H new ATOM 0 HB2 HIS A 70 52.966 -23.372 15.661 1.00 0.00 H new ATOM 0 HB3 HIS A 70 54.168 -24.119 16.693 1.00 0.00 H new ATOM 0 HD1 HIS A 70 52.609 -20.873 16.245 1.00 0.00 H new ATOM 0 HD2 HIS A 70 56.501 -22.273 17.026 1.00 0.00 H new ATOM 0 HE1 HIS A 70 53.894 -18.916 17.272 1.00 0.00 H new ATOM 1098 N CYS A 71 53.558 -25.305 13.160 1.00 0.00 N ATOM 1099 CA CYS A 71 53.064 -26.571 12.601 1.00 0.00 C ATOM 1100 C CYS A 71 54.151 -27.307 11.785 1.00 0.00 C ATOM 1101 O CYS A 71 55.143 -26.716 11.346 1.00 0.00 O ATOM 1102 CB CYS A 71 51.797 -26.295 11.774 1.00 0.00 C ATOM 1103 SG CYS A 71 50.813 -27.814 11.522 1.00 0.00 S ATOM 0 H CYS A 71 53.205 -24.484 12.668 1.00 0.00 H new ATOM 0 HA CYS A 71 52.807 -27.245 13.418 1.00 0.00 H new ATOM 0 HB2 CYS A 71 51.188 -25.546 12.280 1.00 0.00 H new ATOM 0 HB3 CYS A 71 52.077 -25.878 10.807 1.00 0.00 H new ATOM 0 HG CYS A 71 49.959 -27.944 12.493 1.00 0.00 H new ATOM 1108 N GLN A 72 53.958 -28.611 11.573 1.00 0.00 N ATOM 1109 CA GLN A 72 54.871 -29.506 10.842 1.00 0.00 C ATOM 1110 C GLN A 72 54.155 -30.548 9.955 1.00 0.00 C ATOM 1111 O GLN A 72 54.805 -31.201 9.136 1.00 0.00 O ATOM 1112 CB GLN A 72 55.777 -30.246 11.854 1.00 0.00 C ATOM 1113 CG GLN A 72 56.790 -29.390 12.631 1.00 0.00 C ATOM 1114 CD GLN A 72 57.931 -28.884 11.752 1.00 0.00 C ATOM 1115 OE1 GLN A 72 58.993 -29.485 11.644 1.00 0.00 O ATOM 1116 NE2 GLN A 72 57.753 -27.767 11.084 1.00 0.00 N ATOM 0 H GLN A 72 53.130 -29.096 11.918 1.00 0.00 H new ATOM 0 HA GLN A 72 55.450 -28.871 10.171 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.137 -30.754 12.576 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.327 -31.019 11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 72 56.275 -28.539 13.076 1.00 0.00 H new ATOM 0 HG3 GLN A 72 57.202 -29.977 13.452 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.873 -27.258 11.166 1.00 0.00 H new ATOM 0 HE22 GLN A 72 58.495 -27.408 10.483 1.00 0.00 H new ATOM 1125 N GLU A 73 52.836 -30.723 10.087 1.00 0.00 N ATOM 1126 CA GLU A 73 52.049 -31.681 9.297 1.00 0.00 C ATOM 1127 C GLU A 73 51.765 -31.150 7.877 1.00 0.00 C ATOM 1128 O GLU A 73 51.720 -29.941 7.646 1.00 0.00 O ATOM 1129 CB GLU A 73 50.756 -31.984 10.078 1.00 0.00 C ATOM 1130 CG GLU A 73 49.852 -33.098 9.536 1.00 0.00 C ATOM 1131 CD GLU A 73 50.613 -34.410 9.280 1.00 0.00 C ATOM 1132 OE1 GLU A 73 50.720 -35.256 10.199 1.00 0.00 O ATOM 1133 OE2 GLU A 73 51.114 -34.579 8.144 1.00 0.00 O ATOM 0 H GLU A 73 52.275 -30.196 10.756 1.00 0.00 H new ATOM 0 HA GLU A 73 52.612 -32.603 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.032 -32.241 11.101 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.169 -31.067 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 73 49.046 -33.283 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.389 -32.765 8.607 1.00 0.00 H new ATOM 1140 N ASN A 74 51.538 -32.056 6.924 1.00 0.00 N ATOM 1141 CA ASN A 74 51.260 -31.750 5.510 1.00 0.00 C ATOM 1142 C ASN A 74 49.798 -32.045 5.109 1.00 0.00 C ATOM 1143 O ASN A 74 49.388 -31.763 3.982 1.00 0.00 O ATOM 1144 CB ASN A 74 52.264 -32.509 4.624 1.00 0.00 C ATOM 1145 CG ASN A 74 53.714 -32.197 4.963 1.00 0.00 C ATOM 1146 OD1 ASN A 74 54.438 -33.020 5.508 1.00 0.00 O ATOM 1147 ND2 ASN A 74 54.198 -31.015 4.654 1.00 0.00 N ATOM 0 H ASN A 74 51.542 -33.058 7.117 1.00 0.00 H new ATOM 0 HA ASN A 74 51.387 -30.678 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.095 -33.581 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 74 52.079 -32.259 3.579 1.00 0.00 H new ATOM 0 HD21 ASN A 74 55.169 -30.790 4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 74 53.602 -30.323 4.200 1.00 0.00 H new ATOM 1154 N LYS A 75 49.019 -32.606 6.043 1.00 0.00 N ATOM 1155 CA LYS A 75 47.603 -33.009 5.930 1.00 0.00 C ATOM 1156 C LYS A 75 46.672 -32.243 6.898 1.00 0.00 C ATOM 1157 O LYS A 75 45.529 -32.655 7.111 1.00 0.00 O ATOM 1158 CB LYS A 75 47.499 -34.533 6.176 1.00 0.00 C ATOM 1159 CG LYS A 75 48.508 -35.425 5.431 1.00 0.00 C ATOM 1160 CD LYS A 75 48.467 -35.270 3.907 1.00 0.00 C ATOM 1161 CE LYS A 75 49.544 -36.161 3.281 1.00 0.00 C ATOM 1162 NZ LYS A 75 49.542 -36.065 1.797 1.00 0.00 N ATOM 0 H LYS A 75 49.388 -32.808 6.972 1.00 0.00 H new ATOM 0 HA LYS A 75 47.265 -32.756 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.610 -34.713 7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.494 -34.854 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 75 49.513 -35.192 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 75 48.314 -36.467 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 75 47.483 -35.547 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 75 48.634 -34.229 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 75 50.523 -35.872 3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 75 49.378 -37.196 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 50.284 -36.681 1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 48.616 -36.365 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 49.725 -35.082 1.512 1.00 0.00 H new ATOM 1176 N CYS A 76 47.167 -31.155 7.497 1.00 0.00 N ATOM 1177 CA CYS A 76 46.471 -30.292 8.460 1.00 0.00 C ATOM 1178 C CYS A 76 45.102 -29.810 7.884 1.00 0.00 C ATOM 1179 O CYS A 76 45.021 -29.518 6.684 1.00 0.00 O ATOM 1180 CB CYS A 76 47.463 -29.154 8.798 1.00 0.00 C ATOM 1181 SG CYS A 76 47.268 -28.489 10.483 1.00 0.00 S ATOM 0 H CYS A 76 48.118 -30.834 7.313 1.00 0.00 H new ATOM 0 HA CYS A 76 46.199 -30.812 9.379 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.481 -29.524 8.679 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.332 -28.344 8.080 1.00 0.00 H new ATOM 0 HG CYS A 76 48.440 -28.307 11.016 1.00 0.00 H new ATOM 1186 N PRO A 77 43.999 -29.751 8.662 1.00 0.00 N ATOM 1187 CA PRO A 77 42.670 -29.416 8.131 1.00 0.00 C ATOM 1188 C PRO A 77 42.487 -27.966 7.645 1.00 0.00 C ATOM 1189 O PRO A 77 41.654 -27.725 6.769 1.00 0.00 O ATOM 1190 CB PRO A 77 41.688 -29.759 9.256 1.00 0.00 C ATOM 1191 CG PRO A 77 42.526 -29.615 10.523 1.00 0.00 C ATOM 1192 CD PRO A 77 43.908 -30.085 10.074 1.00 0.00 C ATOM 0 HA PRO A 77 42.501 -29.989 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.833 -29.082 9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.294 -30.770 9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.546 -28.585 10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.136 -30.226 11.337 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.694 -29.590 10.645 1.00 0.00 H new ATOM 0 HD3 PRO A 77 44.027 -31.157 10.231 1.00 0.00 H new ATOM 1200 N VAL A 78 43.238 -26.998 8.181 1.00 0.00 N ATOM 1201 CA VAL A 78 43.160 -25.578 7.786 1.00 0.00 C ATOM 1202 C VAL A 78 43.719 -25.399 6.362 1.00 0.00 C ATOM 1203 O VAL A 78 44.827 -25.875 6.096 1.00 0.00 O ATOM 1204 CB VAL A 78 43.935 -24.705 8.791 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.863 -23.213 8.445 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.374 -24.862 10.212 1.00 0.00 C ATOM 0 H VAL A 78 43.928 -27.176 8.911 1.00 0.00 H new ATOM 0 HA VAL A 78 42.117 -25.261 7.791 1.00 0.00 H new ATOM 0 HB VAL A 78 44.968 -25.048 8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.425 -22.641 9.183 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.290 -23.048 7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.823 -22.888 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 78 43.941 -24.234 10.899 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.327 -24.560 10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.455 -25.904 10.522 1.00 0.00 H new ATOM 1216 N PRO A 79 43.012 -24.726 5.427 1.00 0.00 N ATOM 1217 CA PRO A 79 43.487 -24.596 4.044 1.00 0.00 C ATOM 1218 C PRO A 79 44.782 -23.780 3.900 1.00 0.00 C ATOM 1219 O PRO A 79 45.652 -24.138 3.103 1.00 0.00 O ATOM 1220 CB PRO A 79 42.321 -23.972 3.266 1.00 0.00 C ATOM 1221 CG PRO A 79 41.513 -23.230 4.331 1.00 0.00 C ATOM 1222 CD PRO A 79 41.705 -24.092 5.579 1.00 0.00 C ATOM 0 HA PRO A 79 43.765 -25.574 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.677 -23.293 2.492 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.720 -24.734 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.882 -22.215 4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.462 -23.149 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.668 -23.485 6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.916 -24.839 5.664 1.00 0.00 H new ATOM 1230 N PHE A 80 44.931 -22.692 4.663 1.00 0.00 N ATOM 1231 CA PHE A 80 46.115 -21.828 4.592 1.00 0.00 C ATOM 1232 C PHE A 80 47.340 -22.332 5.359 1.00 0.00 C ATOM 1233 O PHE A 80 48.452 -21.972 4.981 1.00 0.00 O ATOM 1234 CB PHE A 80 45.754 -20.407 5.033 1.00 0.00 C ATOM 1235 CG PHE A 80 45.237 -19.586 3.878 1.00 0.00 C ATOM 1236 CD1 PHE A 80 46.148 -19.010 2.971 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.853 -19.465 3.669 1.00 0.00 C ATOM 1238 CE1 PHE A 80 45.666 -18.316 1.848 1.00 0.00 C ATOM 1239 CE2 PHE A 80 43.372 -18.764 2.550 1.00 0.00 C ATOM 1240 CZ PHE A 80 44.279 -18.196 1.635 1.00 0.00 C ATOM 0 H PHE A 80 44.237 -22.386 5.345 1.00 0.00 H new ATOM 0 HA PHE A 80 46.418 -21.841 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.999 -20.449 5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.632 -19.923 5.461 1.00 0.00 H new ATOM 0 HD1 PHE A 80 47.211 -19.101 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 80 43.160 -19.910 4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 80 46.360 -17.874 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 80 42.309 -18.661 2.392 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.910 -17.667 0.768 1.00 0.00 H new ATOM 1250 N CYS A 81 47.172 -23.153 6.400 1.00 0.00 N ATOM 1251 CA CYS A 81 48.276 -23.688 7.196 1.00 0.00 C ATOM 1252 C CYS A 81 49.391 -24.297 6.317 1.00 0.00 C ATOM 1253 O CYS A 81 50.556 -23.882 6.387 1.00 0.00 O ATOM 1254 CB CYS A 81 47.671 -24.672 8.203 1.00 0.00 C ATOM 1255 SG CYS A 81 48.925 -25.515 9.201 1.00 0.00 S ATOM 0 H CYS A 81 46.254 -23.467 6.716 1.00 0.00 H new ATOM 0 HA CYS A 81 48.785 -22.891 7.738 1.00 0.00 H new ATOM 0 HB2 CYS A 81 46.988 -24.136 8.863 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.080 -25.415 7.668 1.00 0.00 H new ATOM 0 HG CYS A 81 48.419 -26.600 9.707 1.00 0.00 H new ATOM 1260 N LEU A 82 49.021 -25.221 5.420 1.00 0.00 N ATOM 1261 CA LEU A 82 49.960 -25.831 4.471 1.00 0.00 C ATOM 1262 C LEU A 82 50.558 -24.786 3.520 1.00 0.00 C ATOM 1263 O LEU A 82 51.778 -24.697 3.390 1.00 0.00 O ATOM 1264 CB LEU A 82 49.293 -26.953 3.652 1.00 0.00 C ATOM 1265 CG LEU A 82 48.774 -28.192 4.407 1.00 0.00 C ATOM 1266 CD1 LEU A 82 49.569 -28.530 5.668 1.00 0.00 C ATOM 1267 CD2 LEU A 82 47.305 -28.061 4.791 1.00 0.00 C ATOM 0 H LEU A 82 48.065 -25.565 5.332 1.00 0.00 H new ATOM 0 HA LEU A 82 50.764 -26.265 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 82 48.454 -26.517 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 82 50.011 -27.294 2.906 1.00 0.00 H new ATOM 0 HG LEU A 82 48.904 -29.005 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 82 49.141 -29.414 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 82 50.607 -28.728 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 82 49.526 -27.690 6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 82 46.986 -28.959 5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 82 47.174 -27.193 5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 82 46.703 -27.938 3.891 1.00 0.00 H new ATOM 1279 N ASN A 83 49.702 -23.982 2.880 1.00 0.00 N ATOM 1280 CA ASN A 83 50.096 -22.938 1.929 1.00 0.00 C ATOM 1281 C ASN A 83 51.177 -22.005 2.495 1.00 0.00 C ATOM 1282 O ASN A 83 52.144 -21.679 1.803 1.00 0.00 O ATOM 1283 CB ASN A 83 48.854 -22.142 1.507 1.00 0.00 C ATOM 1284 CG ASN A 83 47.880 -22.938 0.655 1.00 0.00 C ATOM 1285 OD1 ASN A 83 48.070 -24.095 0.306 1.00 0.00 O ATOM 1286 ND2 ASN A 83 46.800 -22.313 0.268 1.00 0.00 N ATOM 0 H ASN A 83 48.692 -24.041 3.012 1.00 0.00 H new ATOM 0 HA ASN A 83 50.535 -23.424 1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 83 48.338 -21.790 2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 83 49.170 -21.259 0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 83 46.119 -22.790 -0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 83 46.638 -21.348 0.557 1.00 0.00 H new ATOM 1293 N ILE A 84 51.022 -21.584 3.754 1.00 0.00 N ATOM 1294 CA ILE A 84 51.956 -20.694 4.434 1.00 0.00 C ATOM 1295 C ILE A 84 53.225 -21.444 4.842 1.00 0.00 C ATOM 1296 O ILE A 84 54.302 -21.045 4.400 1.00 0.00 O ATOM 1297 CB ILE A 84 51.255 -20.007 5.629 1.00 0.00 C ATOM 1298 CG1 ILE A 84 50.049 -19.175 5.139 1.00 0.00 C ATOM 1299 CG2 ILE A 84 52.197 -19.089 6.444 1.00 0.00 C ATOM 1300 CD1 ILE A 84 49.085 -18.842 6.271 1.00 0.00 C ATOM 0 H ILE A 84 50.230 -21.859 4.335 1.00 0.00 H new ATOM 0 HA ILE A 84 52.272 -19.908 3.748 1.00 0.00 H new ATOM 0 HB ILE A 84 50.926 -20.811 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 84 50.407 -18.251 4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 84 49.519 -19.727 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 84 51.643 -18.638 7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 84 53.024 -19.677 6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 84 52.589 -18.304 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 84 48.253 -18.256 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.705 -19.765 6.709 1.00 0.00 H new ATOM 0 HD13 ILE A 84 49.606 -18.266 7.035 1.00 0.00 H new ATOM 1312 N LYS A 85 53.144 -22.520 5.641 1.00 0.00 N ATOM 1313 CA LYS A 85 54.345 -23.243 6.117 1.00 0.00 C ATOM 1314 C LYS A 85 55.254 -23.707 4.979 1.00 0.00 C ATOM 1315 O LYS A 85 56.470 -23.566 5.080 1.00 0.00 O ATOM 1316 CB LYS A 85 53.992 -24.369 7.111 1.00 0.00 C ATOM 1317 CG LYS A 85 53.713 -25.745 6.479 1.00 0.00 C ATOM 1318 CD LYS A 85 53.179 -26.777 7.480 1.00 0.00 C ATOM 1319 CE LYS A 85 51.765 -26.381 7.896 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.073 -27.421 8.668 1.00 0.00 N ATOM 0 H LYS A 85 52.263 -22.912 5.973 1.00 0.00 H new ATOM 0 HA LYS A 85 54.937 -22.519 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 85 54.812 -24.474 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 85 53.114 -24.065 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 85 52.991 -25.626 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.632 -26.125 6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 85 53.175 -27.770 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 85 53.829 -26.825 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 85 51.811 -25.468 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 85 51.182 -26.152 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 50.087 -27.134 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 51.089 -28.316 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.552 -27.551 9.582 1.00 0.00 H new ATOM 1334 N HIS A 86 54.679 -24.198 3.880 1.00 0.00 N ATOM 1335 CA HIS A 86 55.435 -24.620 2.700 1.00 0.00 C ATOM 1336 C HIS A 86 56.226 -23.450 2.088 1.00 0.00 C ATOM 1337 O HIS A 86 57.392 -23.626 1.732 1.00 0.00 O ATOM 1338 CB HIS A 86 54.470 -25.238 1.679 1.00 0.00 C ATOM 1339 CG HIS A 86 53.839 -26.561 2.079 1.00 0.00 C ATOM 1340 ND1 HIS A 86 52.838 -27.209 1.388 1.00 0.00 N ATOM 1341 CD2 HIS A 86 54.133 -27.346 3.167 1.00 0.00 C ATOM 1342 CE1 HIS A 86 52.536 -28.345 2.040 1.00 0.00 C ATOM 1343 NE2 HIS A 86 53.298 -28.474 3.140 1.00 0.00 N ATOM 0 H HIS A 86 53.670 -24.315 3.783 1.00 0.00 H new ATOM 0 HA HIS A 86 56.168 -25.370 2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.672 -24.522 1.482 1.00 0.00 H new ATOM 0 HB3 HIS A 86 55.007 -25.382 0.742 1.00 0.00 H new ATOM 0 HD1 HIS A 86 52.400 -26.882 0.527 1.00 0.00 H new ATOM 0 HD2 HIS A 86 54.880 -27.132 3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 86 51.786 -29.055 1.724 1.00 0.00 H new ATOM 1351 N LYS A 87 55.645 -22.240 2.027 1.00 0.00 N ATOM 1352 CA LYS A 87 56.352 -21.040 1.548 1.00 0.00 C ATOM 1353 C LYS A 87 57.435 -20.604 2.537 1.00 0.00 C ATOM 1354 O LYS A 87 58.550 -20.296 2.113 1.00 0.00 O ATOM 1355 CB LYS A 87 55.368 -19.884 1.291 1.00 0.00 C ATOM 1356 CG LYS A 87 54.616 -20.045 -0.042 1.00 0.00 C ATOM 1357 CD LYS A 87 53.654 -18.878 -0.343 1.00 0.00 C ATOM 1358 CE LYS A 87 54.312 -17.486 -0.342 1.00 0.00 C ATOM 1359 NZ LYS A 87 55.376 -17.352 -1.372 1.00 0.00 N ATOM 0 H LYS A 87 54.679 -22.067 2.306 1.00 0.00 H new ATOM 0 HA LYS A 87 56.834 -21.299 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 87 54.648 -19.833 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 87 55.913 -18.940 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 87 55.340 -20.128 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 87 54.051 -20.977 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 87 53.193 -19.047 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 87 52.852 -18.886 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 87 53.548 -16.728 -0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 87 54.738 -17.291 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 55.909 -16.474 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 56.022 -18.165 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 54.943 -17.323 -2.317 1.00 0.00 H new ATOM 1373 N LEU A 88 57.136 -20.592 3.842 1.00 0.00 N ATOM 1374 CA LEU A 88 58.109 -20.157 4.857 1.00 0.00 C ATOM 1375 C LEU A 88 59.342 -21.077 4.896 1.00 0.00 C ATOM 1376 O LEU A 88 60.471 -20.588 4.895 1.00 0.00 O ATOM 1377 CB LEU A 88 57.476 -20.017 6.256 1.00 0.00 C ATOM 1378 CG LEU A 88 56.171 -19.200 6.384 1.00 0.00 C ATOM 1379 CD1 LEU A 88 56.012 -18.688 7.815 1.00 0.00 C ATOM 1380 CD2 LEU A 88 56.014 -18.014 5.422 1.00 0.00 C ATOM 0 H LEU A 88 56.233 -20.877 4.221 1.00 0.00 H new ATOM 0 HA LEU A 88 58.444 -19.164 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 88 57.281 -21.020 6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 88 58.218 -19.566 6.915 1.00 0.00 H new ATOM 0 HG LEU A 88 55.390 -19.908 6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 88 55.089 -18.113 7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.974 -19.534 8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 88 56.859 -18.051 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.061 -17.519 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 88 56.827 -17.306 5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 88 56.042 -18.374 4.393 1.00 0.00 H new ATOM 1704 N ASN B 722 32.487 -7.486 9.813 1.00 0.00 N ATOM 1705 CA ASN B 722 32.405 -7.835 11.231 1.00 0.00 C ATOM 1706 C ASN B 722 32.451 -9.353 11.494 1.00 0.00 C ATOM 1707 O ASN B 722 32.399 -9.774 12.651 1.00 0.00 O ATOM 1708 CB ASN B 722 31.179 -7.146 11.839 1.00 0.00 C ATOM 1709 CG ASN B 722 31.197 -7.123 13.361 1.00 0.00 C ATOM 1710 OD1 ASN B 722 30.275 -7.573 14.027 1.00 0.00 O ATOM 1711 ND2 ASN B 722 32.241 -6.590 13.961 1.00 0.00 N ATOM 0 HA ASN B 722 33.298 -7.464 11.734 1.00 0.00 H new ATOM 0 HB2 ASN B 722 31.124 -6.123 11.467 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.278 -7.657 11.500 1.00 0.00 H new ATOM 0 HD21 ASN B 722 32.280 -6.553 14.980 1.00 0.00 H new ATOM 0 HD22 ASN B 722 33.011 -6.214 13.407 1.00 0.00 H new ATOM 1718 N LEU B 723 32.630 -10.186 10.456 1.00 0.00 N ATOM 1719 CA LEU B 723 32.867 -11.628 10.606 1.00 0.00 C ATOM 1720 C LEU B 723 34.139 -11.928 11.427 1.00 0.00 C ATOM 1721 O LEU B 723 34.313 -13.050 11.886 1.00 0.00 O ATOM 1722 CB LEU B 723 32.948 -12.275 9.210 1.00 0.00 C ATOM 1723 CG LEU B 723 31.659 -12.191 8.379 1.00 0.00 C ATOM 1724 CD1 LEU B 723 31.900 -12.795 6.997 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.494 -12.916 9.044 1.00 0.00 C ATOM 0 H LEU B 723 32.614 -9.875 9.485 1.00 0.00 H new ATOM 0 HA LEU B 723 32.033 -12.056 11.161 1.00 0.00 H new ATOM 0 HB2 LEU B 723 33.754 -11.799 8.652 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.219 -13.324 9.328 1.00 0.00 H new ATOM 0 HG LEU B 723 31.394 -11.137 8.297 1.00 0.00 H new ATOM 0 HD11 LEU B 723 30.984 -12.735 6.409 1.00 0.00 H new ATOM 0 HD12 LEU B 723 32.693 -12.243 6.492 1.00 0.00 H new ATOM 0 HD13 LEU B 723 32.195 -13.839 7.103 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.606 -12.828 8.418 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.746 -13.969 9.171 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.297 -12.470 10.019 1.00 0.00 H new ATOM 1737 N LEU B 724 34.996 -10.922 11.638 1.00 0.00 N ATOM 1738 CA LEU B 724 36.271 -10.951 12.371 1.00 0.00 C ATOM 1739 C LEU B 724 36.241 -11.804 13.664 1.00 0.00 C ATOM 1740 O LEU B 724 35.687 -11.352 14.675 1.00 0.00 O ATOM 1741 CB LEU B 724 36.713 -9.501 12.680 1.00 0.00 C ATOM 1742 CG LEU B 724 36.649 -8.494 11.512 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.237 -7.153 11.946 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.434 -8.992 10.299 1.00 0.00 C ATOM 0 H LEU B 724 34.801 -9.990 11.271 1.00 0.00 H new ATOM 0 HA LEU B 724 36.997 -11.442 11.723 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.092 -9.121 13.491 1.00 0.00 H new ATOM 0 HB3 LEU B 724 37.738 -9.529 13.050 1.00 0.00 H new ATOM 0 HG LEU B 724 35.600 -8.382 11.236 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.188 -6.448 11.116 1.00 0.00 H new ATOM 0 HD12 LEU B 724 36.667 -6.761 12.789 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.276 -7.291 12.244 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.367 -8.258 9.496 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.479 -9.134 10.575 1.00 0.00 H new ATOM 0 HD23 LEU B 724 37.017 -9.940 9.960 1.00 0.00 H new ATOM 1756 N PRO B 725 36.803 -13.031 13.681 1.00 0.00 N ATOM 1757 CA PRO B 725 36.819 -13.876 14.877 1.00 0.00 C ATOM 1758 C PRO B 725 37.864 -13.449 15.926 1.00 0.00 C ATOM 1759 O PRO B 725 37.817 -13.940 17.058 1.00 0.00 O ATOM 1760 CB PRO B 725 37.122 -15.282 14.350 1.00 0.00 C ATOM 1761 CG PRO B 725 38.026 -15.015 13.148 1.00 0.00 C ATOM 1762 CD PRO B 725 37.442 -13.730 12.566 1.00 0.00 C ATOM 0 HA PRO B 725 35.868 -13.806 15.405 1.00 0.00 H new ATOM 0 HB2 PRO B 725 37.621 -15.895 15.101 1.00 0.00 H new ATOM 0 HB3 PRO B 725 36.213 -15.809 14.061 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.067 -14.888 13.445 1.00 0.00 H new ATOM 0 HG3 PRO B 725 37.997 -15.834 12.430 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.223 -13.116 12.118 1.00 0.00 H new ATOM 0 HD3 PRO B 725 36.720 -13.951 11.780 1.00 0.00 H new ATOM 1770 N MET B 726 38.802 -12.556 15.582 1.00 0.00 N ATOM 1771 CA MET B 726 39.916 -12.146 16.446 1.00 0.00 C ATOM 1772 C MET B 726 39.925 -10.631 16.729 1.00 0.00 C ATOM 1773 O MET B 726 39.546 -9.806 15.895 1.00 0.00 O ATOM 1774 CB MET B 726 41.204 -12.678 15.793 1.00 0.00 C ATOM 1775 CG MET B 726 42.472 -12.494 16.624 1.00 0.00 C ATOM 1776 SD MET B 726 43.907 -13.478 16.095 1.00 0.00 S ATOM 1777 CE MET B 726 44.160 -12.873 14.405 1.00 0.00 C ATOM 0 H MET B 726 38.807 -12.089 14.675 1.00 0.00 H new ATOM 0 HA MET B 726 39.815 -12.576 17.442 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.076 -13.740 15.584 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.340 -12.178 14.834 1.00 0.00 H new ATOM 0 HG2 MET B 726 42.749 -11.440 16.603 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.245 -12.743 17.661 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.009 -13.389 13.957 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.265 -13.064 13.812 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.358 -11.801 14.428 1.00 0.00 H new ATOM 1787 N SER B 727 40.350 -10.271 17.941 1.00 0.00 N ATOM 1788 CA SER B 727 40.430 -8.893 18.450 1.00 0.00 C ATOM 1789 C SER B 727 41.643 -8.146 17.878 1.00 0.00 C ATOM 1790 O SER B 727 42.661 -8.789 17.606 1.00 0.00 O ATOM 1791 CB SER B 727 40.562 -8.975 19.980 1.00 0.00 C ATOM 1792 OG SER B 727 40.867 -7.727 20.578 1.00 0.00 O ATOM 0 H SER B 727 40.662 -10.958 18.627 1.00 0.00 H new ATOM 0 HA SER B 727 39.537 -8.346 18.150 1.00 0.00 H new ATOM 0 HB2 SER B 727 39.630 -9.354 20.400 1.00 0.00 H new ATOM 0 HB3 SER B 727 41.342 -9.693 20.234 1.00 0.00 H new ATOM 0 HG SER B 727 40.937 -7.838 21.549 1.00 0.00 H new ATOM 1798 N PRO B 728 41.613 -6.803 17.737 1.00 0.00 N ATOM 1799 CA PRO B 728 42.787 -6.040 17.308 1.00 0.00 C ATOM 1800 C PRO B 728 43.981 -6.224 18.266 1.00 0.00 C ATOM 1801 O PRO B 728 45.126 -6.186 17.822 1.00 0.00 O ATOM 1802 CB PRO B 728 42.327 -4.581 17.214 1.00 0.00 C ATOM 1803 CG PRO B 728 41.119 -4.516 18.147 1.00 0.00 C ATOM 1804 CD PRO B 728 40.498 -5.904 18.004 1.00 0.00 C ATOM 0 HA PRO B 728 43.157 -6.392 16.345 1.00 0.00 H new ATOM 0 HB2 PRO B 728 43.112 -3.893 17.528 1.00 0.00 H new ATOM 0 HB3 PRO B 728 42.058 -4.312 16.193 1.00 0.00 H new ATOM 0 HG2 PRO B 728 41.415 -4.310 19.176 1.00 0.00 H new ATOM 0 HG3 PRO B 728 40.423 -3.730 17.852 1.00 0.00 H new ATOM 0 HD2 PRO B 728 39.970 -6.193 18.912 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.772 -5.927 17.192 1.00 0.00 H new ATOM 1812 N GLU B 729 43.742 -6.483 19.559 1.00 0.00 N ATOM 1813 CA GLU B 729 44.797 -6.763 20.551 1.00 0.00 C ATOM 1814 C GLU B 729 45.482 -8.119 20.305 1.00 0.00 C ATOM 1815 O GLU B 729 46.694 -8.255 20.472 1.00 0.00 O ATOM 1816 CB GLU B 729 44.187 -6.765 21.963 1.00 0.00 C ATOM 1817 CG GLU B 729 43.880 -5.360 22.497 1.00 0.00 C ATOM 1818 CD GLU B 729 45.168 -4.564 22.778 1.00 0.00 C ATOM 1819 OE1 GLU B 729 45.995 -5.032 23.600 1.00 0.00 O ATOM 1820 OE2 GLU B 729 45.357 -3.471 22.192 1.00 0.00 O ATOM 0 H GLU B 729 42.801 -6.505 19.953 1.00 0.00 H new ATOM 0 HA GLU B 729 45.550 -5.981 20.454 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.268 -7.350 21.953 1.00 0.00 H new ATOM 0 HB3 GLU B 729 44.874 -7.263 22.647 1.00 0.00 H new ATOM 0 HG2 GLU B 729 43.270 -4.821 21.773 1.00 0.00 H new ATOM 0 HG3 GLU B 729 43.294 -5.439 23.412 1.00 0.00 H new ATOM 1827 N GLU B 730 44.714 -9.122 19.871 1.00 0.00 N ATOM 1828 CA GLU B 730 45.209 -10.455 19.513 1.00 0.00 C ATOM 1829 C GLU B 730 45.940 -10.376 18.163 1.00 0.00 C ATOM 1830 O GLU B 730 47.082 -10.809 18.042 1.00 0.00 O ATOM 1831 CB GLU B 730 44.018 -11.423 19.432 1.00 0.00 C ATOM 1832 CG GLU B 730 43.364 -11.700 20.790 1.00 0.00 C ATOM 1833 CD GLU B 730 42.091 -12.559 20.652 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.185 -12.195 19.866 1.00 0.00 O ATOM 1835 OE2 GLU B 730 41.954 -13.585 21.355 1.00 0.00 O ATOM 0 H GLU B 730 43.705 -9.028 19.756 1.00 0.00 H new ATOM 0 HA GLU B 730 45.908 -10.818 20.267 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.270 -11.011 18.754 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.354 -12.366 19.000 1.00 0.00 H new ATOM 0 HG2 GLU B 730 44.077 -12.209 21.439 1.00 0.00 H new ATOM 0 HG3 GLU B 730 43.113 -10.755 21.272 1.00 0.00 H new ATOM 1842 N PHE B 731 45.308 -9.759 17.159 1.00 0.00 N ATOM 1843 CA PHE B 731 45.881 -9.530 15.824 1.00 0.00 C ATOM 1844 C PHE B 731 47.230 -8.781 15.879 1.00 0.00 C ATOM 1845 O PHE B 731 48.172 -9.154 15.176 1.00 0.00 O ATOM 1846 CB PHE B 731 44.850 -8.780 14.969 1.00 0.00 C ATOM 1847 CG PHE B 731 45.314 -8.434 13.565 1.00 0.00 C ATOM 1848 CD1 PHE B 731 45.238 -9.387 12.530 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.821 -7.149 13.289 1.00 0.00 C ATOM 1850 CE1 PHE B 731 45.661 -9.055 11.230 1.00 0.00 C ATOM 1851 CE2 PHE B 731 46.248 -6.819 11.990 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.166 -7.772 10.960 1.00 0.00 C ATOM 0 H PHE B 731 44.360 -9.395 17.252 1.00 0.00 H new ATOM 0 HA PHE B 731 46.102 -10.495 15.368 1.00 0.00 H new ATOM 0 HB2 PHE B 731 43.948 -9.387 14.898 1.00 0.00 H new ATOM 0 HB3 PHE B 731 44.575 -7.859 15.482 1.00 0.00 H new ATOM 0 HD1 PHE B 731 44.854 -10.375 12.735 1.00 0.00 H new ATOM 0 HD2 PHE B 731 45.882 -6.414 14.078 1.00 0.00 H new ATOM 0 HE1 PHE B 731 45.597 -9.787 10.439 1.00 0.00 H new ATOM 0 HE2 PHE B 731 46.639 -5.833 11.784 1.00 0.00 H new ATOM 0 HZ PHE B 731 46.491 -7.518 9.962 1.00 0.00 H new ATOM 1862 N ASP B 732 47.358 -7.761 16.736 1.00 0.00 N ATOM 1863 CA ASP B 732 48.608 -7.018 16.948 1.00 0.00 C ATOM 1864 C ASP B 732 49.738 -7.941 17.444 1.00 0.00 C ATOM 1865 O ASP B 732 50.856 -7.900 16.926 1.00 0.00 O ATOM 1866 CB ASP B 732 48.348 -5.881 17.948 1.00 0.00 C ATOM 1867 CG ASP B 732 49.637 -5.149 18.346 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.129 -4.302 17.565 1.00 0.00 O ATOM 1869 OD2 ASP B 732 50.168 -5.418 19.450 1.00 0.00 O ATOM 0 H ASP B 732 46.586 -7.423 17.310 1.00 0.00 H new ATOM 0 HA ASP B 732 48.937 -6.600 15.997 1.00 0.00 H new ATOM 0 HB2 ASP B 732 47.648 -5.169 17.511 1.00 0.00 H new ATOM 0 HB3 ASP B 732 47.873 -6.287 18.841 1.00 0.00 H new ATOM 1874 N GLU B 733 49.445 -8.819 18.408 1.00 0.00 N ATOM 1875 CA GLU B 733 50.412 -9.796 18.916 1.00 0.00 C ATOM 1876 C GLU B 733 50.726 -10.891 17.883 1.00 0.00 C ATOM 1877 O GLU B 733 51.866 -11.351 17.818 1.00 0.00 O ATOM 1878 CB GLU B 733 49.914 -10.371 20.251 1.00 0.00 C ATOM 1879 CG GLU B 733 50.890 -11.349 20.925 1.00 0.00 C ATOM 1880 CD GLU B 733 52.283 -10.751 21.222 1.00 0.00 C ATOM 1881 OE1 GLU B 733 52.409 -9.514 21.378 1.00 0.00 O ATOM 1882 OE2 GLU B 733 53.262 -11.527 21.330 1.00 0.00 O ATOM 0 H GLU B 733 48.531 -8.872 18.858 1.00 0.00 H new ATOM 0 HA GLU B 733 51.358 -9.287 19.098 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.714 -9.547 20.936 1.00 0.00 H new ATOM 0 HB3 GLU B 733 48.966 -10.882 20.082 1.00 0.00 H new ATOM 0 HG2 GLU B 733 50.450 -11.697 21.859 1.00 0.00 H new ATOM 0 HG3 GLU B 733 51.011 -12.223 20.285 1.00 0.00 H new ATOM 1889 N VAL B 734 49.775 -11.273 17.019 1.00 0.00 N ATOM 1890 CA VAL B 734 50.040 -12.222 15.932 1.00 0.00 C ATOM 1891 C VAL B 734 51.036 -11.594 14.954 1.00 0.00 C ATOM 1892 O VAL B 734 52.052 -12.209 14.627 1.00 0.00 O ATOM 1893 CB VAL B 734 48.741 -12.640 15.216 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.038 -13.387 13.919 1.00 0.00 C ATOM 1895 CG2 VAL B 734 47.842 -13.543 16.069 1.00 0.00 C ATOM 0 H VAL B 734 48.813 -10.937 17.054 1.00 0.00 H new ATOM 0 HA VAL B 734 50.471 -13.131 16.351 1.00 0.00 H new ATOM 0 HB VAL B 734 48.218 -11.704 15.018 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.101 -13.668 13.438 1.00 0.00 H new ATOM 0 HG12 VAL B 734 49.610 -12.743 13.251 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.616 -14.284 14.140 1.00 0.00 H new ATOM 0 HG21 VAL B 734 46.945 -13.800 15.506 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.382 -14.454 16.328 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.559 -13.018 16.981 1.00 0.00 H new ATOM 1905 N SER B 735 50.786 -10.350 14.532 1.00 0.00 N ATOM 1906 CA SER B 735 51.667 -9.590 13.637 1.00 0.00 C ATOM 1907 C SER B 735 53.096 -9.481 14.193 1.00 0.00 C ATOM 1908 O SER B 735 54.066 -9.666 13.453 1.00 0.00 O ATOM 1909 CB SER B 735 51.062 -8.202 13.395 1.00 0.00 C ATOM 1910 OG SER B 735 51.811 -7.493 12.423 1.00 0.00 O ATOM 0 H SER B 735 49.951 -9.833 14.807 1.00 0.00 H new ATOM 0 HA SER B 735 51.743 -10.124 12.690 1.00 0.00 H new ATOM 0 HB2 SER B 735 50.029 -8.303 13.063 1.00 0.00 H new ATOM 0 HB3 SER B 735 51.043 -7.640 14.329 1.00 0.00 H new ATOM 0 HG SER B 735 51.410 -6.610 12.280 1.00 0.00 H new ATOM 1916 N ARG B 736 53.240 -9.251 15.509 1.00 0.00 N ATOM 1917 CA ARG B 736 54.534 -9.159 16.211 1.00 0.00 C ATOM 1918 C ARG B 736 55.406 -10.415 16.077 1.00 0.00 C ATOM 1919 O ARG B 736 56.629 -10.298 15.989 1.00 0.00 O ATOM 1920 CB ARG B 736 54.250 -8.818 17.679 1.00 0.00 C ATOM 1921 CG ARG B 736 55.514 -8.449 18.469 1.00 0.00 C ATOM 1922 CD ARG B 736 55.140 -7.916 19.855 1.00 0.00 C ATOM 1923 NE ARG B 736 54.580 -6.551 19.779 1.00 0.00 N ATOM 1924 CZ ARG B 736 53.305 -6.205 19.833 1.00 0.00 C ATOM 1925 NH1 ARG B 736 52.345 -7.000 20.196 1.00 0.00 N ATOM 1926 NH2 ARG B 736 52.927 -5.010 19.494 1.00 0.00 N ATOM 0 H ARG B 736 52.442 -9.121 16.130 1.00 0.00 H new ATOM 0 HA ARG B 736 55.124 -8.373 15.740 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.546 -7.987 17.723 1.00 0.00 H new ATOM 0 HB3 ARG B 736 53.767 -9.670 18.156 1.00 0.00 H new ATOM 0 HG2 ARG B 736 56.156 -9.324 18.570 1.00 0.00 H new ATOM 0 HG3 ARG B 736 56.084 -7.696 17.925 1.00 0.00 H new ATOM 0 HD2 ARG B 736 54.413 -8.583 20.318 1.00 0.00 H new ATOM 0 HD3 ARG B 736 56.023 -7.913 20.495 1.00 0.00 H new ATOM 0 HE ARG B 736 55.252 -5.791 19.673 1.00 0.00 H new ATOM 0 HH11 ARG B 736 52.553 -7.962 20.464 1.00 0.00 H new ATOM 0 HH12 ARG B 736 51.383 -6.663 20.214 1.00 0.00 H new ATOM 0 HH21 ARG B 736 53.617 -4.326 19.182 1.00 0.00 H new ATOM 0 HH22 ARG B 736 51.940 -4.755 19.540 1.00 0.00 H new ATOM 1940 N ILE B 737 54.794 -11.602 16.053 1.00 0.00 N ATOM 1941 CA ILE B 737 55.496 -12.895 15.939 1.00 0.00 C ATOM 1942 C ILE B 737 55.681 -13.322 14.476 1.00 0.00 C ATOM 1943 O ILE B 737 56.766 -13.765 14.094 1.00 0.00 O ATOM 1944 CB ILE B 737 54.734 -13.979 16.738 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.655 -13.551 18.223 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.393 -15.365 16.587 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.164 -14.621 19.201 1.00 0.00 C ATOM 0 H ILE B 737 53.780 -11.699 16.113 1.00 0.00 H new ATOM 0 HA ILE B 737 56.493 -12.774 16.362 1.00 0.00 H new ATOM 0 HB ILE B 737 53.725 -14.070 16.337 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.645 -13.223 18.540 1.00 0.00 H new ATOM 0 HG13 ILE B 737 53.994 -12.687 18.298 1.00 0.00 H new ATOM 0 HG21 ILE B 737 54.830 -16.100 17.162 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.398 -15.653 15.536 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.418 -15.323 16.956 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.149 -14.211 20.211 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.158 -14.935 18.922 1.00 0.00 H new ATOM 0 HD13 ILE B 737 54.835 -15.480 19.168 1.00 0.00 H new ATOM 1959 N VAL B 738 54.637 -13.197 13.650 1.00 0.00 N ATOM 1960 CA VAL B 738 54.664 -13.580 12.223 1.00 0.00 C ATOM 1961 C VAL B 738 55.608 -12.687 11.406 1.00 0.00 C ATOM 1962 O VAL B 738 56.239 -13.150 10.456 1.00 0.00 O ATOM 1963 CB VAL B 738 53.235 -13.562 11.642 1.00 0.00 C ATOM 1964 CG1 VAL B 738 53.203 -13.891 10.146 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.358 -14.608 12.347 1.00 0.00 C ATOM 0 H VAL B 738 53.737 -12.824 13.951 1.00 0.00 H new ATOM 0 HA VAL B 738 55.056 -14.595 12.155 1.00 0.00 H new ATOM 0 HB VAL B 738 52.862 -12.550 11.799 1.00 0.00 H new ATOM 0 HG11 VAL B 738 52.173 -13.864 9.790 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.795 -13.157 9.599 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.618 -14.886 9.983 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.353 -14.583 11.926 1.00 0.00 H new ATOM 0 HG22 VAL B 738 52.787 -15.599 12.203 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.311 -14.384 13.413 1.00 0.00 H new ATOM 1975 N GLY B 739 55.729 -11.410 11.777 1.00 0.00 N ATOM 1976 CA GLY B 739 56.613 -10.428 11.126 1.00 0.00 C ATOM 1977 C GLY B 739 56.354 -10.180 9.628 1.00 0.00 C ATOM 1978 O GLY B 739 57.255 -9.737 8.915 1.00 0.00 O ATOM 0 H GLY B 739 55.204 -11.016 12.558 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.520 -9.479 11.653 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.644 -10.760 11.247 1.00 0.00 H new ATOM 1982 N SER B 740 55.136 -10.462 9.148 1.00 0.00 N ATOM 1983 CA SER B 740 54.661 -10.283 7.759 1.00 0.00 C ATOM 1984 C SER B 740 55.479 -10.960 6.634 1.00 0.00 C ATOM 1985 O SER B 740 55.304 -10.597 5.471 1.00 0.00 O ATOM 1986 CB SER B 740 54.434 -8.791 7.460 1.00 0.00 C ATOM 1987 OG SER B 740 53.566 -8.207 8.421 1.00 0.00 O ATOM 0 H SER B 740 54.408 -10.845 9.751 1.00 0.00 H new ATOM 0 HA SER B 740 53.720 -10.833 7.735 1.00 0.00 H new ATOM 0 HB2 SER B 740 55.389 -8.266 7.461 1.00 0.00 H new ATOM 0 HB3 SER B 740 54.009 -8.677 6.463 1.00 0.00 H new ATOM 0 HG SER B 740 53.438 -7.258 8.212 1.00 0.00 H new ATOM 1993 N VAL B 741 56.333 -11.944 6.960 1.00 0.00 N ATOM 1994 CA VAL B 741 57.212 -12.770 6.084 1.00 0.00 C ATOM 1995 C VAL B 741 57.076 -12.563 4.557 1.00 0.00 C ATOM 1996 O VAL B 741 57.943 -11.946 3.939 1.00 0.00 O ATOM 1997 CB VAL B 741 57.094 -14.272 6.458 1.00 0.00 C ATOM 1998 CG1 VAL B 741 58.030 -14.598 7.627 1.00 0.00 C ATOM 1999 CG2 VAL B 741 55.674 -14.729 6.853 1.00 0.00 C ATOM 0 H VAL B 741 56.444 -12.216 7.937 1.00 0.00 H new ATOM 0 HA VAL B 741 58.215 -12.398 6.295 1.00 0.00 H new ATOM 0 HB VAL B 741 57.367 -14.808 5.549 1.00 0.00 H new ATOM 0 HG11 VAL B 741 57.940 -15.654 7.882 1.00 0.00 H new ATOM 0 HG12 VAL B 741 59.059 -14.380 7.341 1.00 0.00 H new ATOM 0 HG13 VAL B 741 57.758 -13.992 8.491 1.00 0.00 H new ATOM 0 HG21 VAL B 741 55.688 -15.791 7.098 1.00 0.00 H new ATOM 0 HG22 VAL B 741 55.337 -14.161 7.721 1.00 0.00 H new ATOM 0 HG23 VAL B 741 54.992 -14.558 6.020 1.00 0.00 H new ATOM 2009 N GLU B 742 55.979 -13.033 3.958 1.00 0.00 N ATOM 2010 CA GLU B 742 55.585 -12.876 2.538 1.00 0.00 C ATOM 2011 C GLU B 742 54.048 -12.726 2.458 1.00 0.00 C ATOM 2012 O GLU B 742 53.387 -13.153 1.513 1.00 0.00 O ATOM 2013 CB GLU B 742 56.038 -14.092 1.707 1.00 0.00 C ATOM 2014 CG GLU B 742 57.551 -14.173 1.469 1.00 0.00 C ATOM 2015 CD GLU B 742 57.912 -15.305 0.487 1.00 0.00 C ATOM 2016 OE1 GLU B 742 57.223 -15.481 -0.547 1.00 0.00 O ATOM 2017 OE2 GLU B 742 58.907 -16.024 0.738 1.00 0.00 O ATOM 0 H GLU B 742 55.289 -13.572 4.481 1.00 0.00 H new ATOM 0 HA GLU B 742 56.068 -11.988 2.130 1.00 0.00 H new ATOM 0 HB2 GLU B 742 55.713 -15.002 2.212 1.00 0.00 H new ATOM 0 HB3 GLU B 742 55.532 -14.065 0.742 1.00 0.00 H new ATOM 0 HG2 GLU B 742 57.909 -13.222 1.076 1.00 0.00 H new ATOM 0 HG3 GLU B 742 58.061 -14.338 2.418 1.00 0.00 H new ATOM 2024 N PHE B 743 53.472 -12.183 3.528 1.00 0.00 N ATOM 2025 CA PHE B 743 52.044 -12.100 3.829 1.00 0.00 C ATOM 2026 C PHE B 743 51.067 -11.745 2.697 1.00 0.00 C ATOM 2027 O PHE B 743 50.067 -12.440 2.512 1.00 0.00 O ATOM 2028 CB PHE B 743 51.889 -11.190 5.037 1.00 0.00 C ATOM 2029 CG PHE B 743 50.701 -11.551 5.880 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.831 -12.511 6.905 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.458 -10.954 5.614 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.769 -12.697 7.801 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.375 -11.220 6.457 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.562 -12.003 7.601 1.00 0.00 C ATOM 0 H PHE B 743 54.035 -11.757 4.264 1.00 0.00 H new ATOM 0 HA PHE B 743 51.727 -13.124 4.025 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.792 -11.243 5.646 1.00 0.00 H new ATOM 0 HB3 PHE B 743 51.791 -10.158 4.700 1.00 0.00 H new ATOM 0 HD1 PHE B 743 51.735 -13.094 6.998 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.340 -10.296 4.766 1.00 0.00 H new ATOM 0 HE1 PHE B 743 49.877 -13.369 8.640 1.00 0.00 H new ATOM 0 HE2 PHE B 743 47.398 -10.823 6.226 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.774 -12.075 8.336 1.00 0.00 H new ATOM 2044 N ASP B 744 51.337 -10.710 1.897 1.00 0.00 N ATOM 2045 CA ASP B 744 50.474 -10.338 0.759 1.00 0.00 C ATOM 2046 C ASP B 744 50.586 -11.309 -0.446 1.00 0.00 C ATOM 2047 O ASP B 744 49.958 -11.100 -1.485 1.00 0.00 O ATOM 2048 CB ASP B 744 50.687 -8.863 0.383 1.00 0.00 C ATOM 2049 CG ASP B 744 51.977 -8.610 -0.419 1.00 0.00 C ATOM 2050 OD1 ASP B 744 53.077 -8.965 0.067 1.00 0.00 O ATOM 2051 OD2 ASP B 744 51.895 -8.026 -1.527 1.00 0.00 O ATOM 0 H ASP B 744 52.152 -10.107 2.013 1.00 0.00 H new ATOM 0 HA ASP B 744 49.439 -10.444 1.084 1.00 0.00 H new ATOM 0 HB2 ASP B 744 49.833 -8.519 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP B 744 50.712 -8.265 1.294 1.00 0.00 H new ATOM 2056 N SER B 745 51.362 -12.389 -0.294 1.00 0.00 N ATOM 2057 CA SER B 745 51.592 -13.464 -1.267 1.00 0.00 C ATOM 2058 C SER B 745 51.277 -14.864 -0.705 1.00 0.00 C ATOM 2059 O SER B 745 51.486 -15.849 -1.414 1.00 0.00 O ATOM 2060 CB SER B 745 53.032 -13.416 -1.807 1.00 0.00 C ATOM 2061 OG SER B 745 53.302 -12.186 -2.462 1.00 0.00 O ATOM 0 H SER B 745 51.881 -12.546 0.570 1.00 0.00 H new ATOM 0 HA SER B 745 50.895 -13.288 -2.087 1.00 0.00 H new ATOM 0 HB2 SER B 745 53.735 -13.553 -0.985 1.00 0.00 H new ATOM 0 HB3 SER B 745 53.189 -14.241 -2.502 1.00 0.00 H new ATOM 0 HG SER B 745 54.225 -12.187 -2.792 1.00 0.00 H new ATOM 2067 N MET B 746 50.731 -15.006 0.517 1.00 0.00 N ATOM 2068 CA MET B 746 50.319 -16.321 1.071 1.00 0.00 C ATOM 2069 C MET B 746 49.274 -17.018 0.174 1.00 0.00 C ATOM 2070 O MET B 746 49.188 -18.245 0.135 1.00 0.00 O ATOM 2071 CB MET B 746 49.745 -16.192 2.492 1.00 0.00 C ATOM 2072 CG MET B 746 50.688 -15.611 3.558 1.00 0.00 C ATOM 2073 SD MET B 746 52.487 -15.684 3.275 1.00 0.00 S ATOM 2074 CE MET B 746 52.813 -17.458 3.275 1.00 0.00 C ATOM 0 H MET B 746 50.562 -14.223 1.148 1.00 0.00 H new ATOM 0 HA MET B 746 51.224 -16.927 1.106 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.854 -15.566 2.445 1.00 0.00 H new ATOM 0 HB3 MET B 746 49.423 -17.180 2.822 1.00 0.00 H new ATOM 0 HG2 MET B 746 50.419 -14.564 3.701 1.00 0.00 H new ATOM 0 HG3 MET B 746 50.481 -16.125 4.497 1.00 0.00 H new ATOM 0 HE1 MET B 746 53.431 -17.714 4.135 1.00 0.00 H new ATOM 0 HE2 MET B 746 51.870 -18.001 3.331 1.00 0.00 H new ATOM 0 HE3 MET B 746 53.335 -17.732 2.358 1.00 0.00 H new