USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 726 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 59 ASN : amide:sc= 0.39 K(o=1.6,f=-6.5!) USER MOD Set 1.2: A 61 SER OG : rot -76:sc= 1.21 USER MOD Set 2.1: A 57 LYS NZ :NH3+ 175:sc= 1.65 (180deg=0.545) USER MOD Set 2.2: A 82 TYR OH : rot 30:sc= 1 USER MOD Set 3.1: A 41 THR OG1 : rot 130:sc= 1.35 USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 0.843 USER MOD Set 4.1: A 9 GLN : amide:sc= -0.0624 X(o=-0.15,f=-0.19) USER MOD Set 4.2: A 13 ASN : amide:sc= -0.0911 K(o=-0.15,f=-1.8!) USER MOD Single : A 1 MET CE :methyl 166:sc=-0.00756 (180deg=-0.224) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.46 (180deg=0.242) USER MOD Single : A 4 TYR OH : rot 155:sc= 1.27 USER MOD Single : A 6 THR OG1 : rot 70:sc= 0.0165 USER MOD Single : A 12 THR OG1 : rot -120:sc= 0.567 USER MOD Single : A 14 ASN : amide:sc= -0.038 K(o=-0.038,f=-1.3!) USER MOD Single : A 16 THR OG1 : rot -79:sc= 0.998 USER MOD Single : A 22 GLN : amide:sc= 0.32 K(o=0.32,f=-0.86) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 2.61 (180deg=2.57) USER MOD Single : A 25 SER OG : rot 86:sc= 1.23 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0.64 (180deg=0.509) USER MOD Single : A 36 SER OG : rot -47:sc= 1.24 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 97:sc= 1.26 USER MOD Single : A 51 SER OG : rot 75:sc= 1.19 USER MOD Single : A 52 HIS : no HD1:sc=-0.00116 X(o=-0.0012,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0645 X(o=-0.065,f=-0.53) USER MOD Single : A 70 SER OG : rot -22:sc= 0.649 USER MOD Single : A 77 THR OG1 : rot 69:sc= 0.898 USER MOD Single : A 78 MET CE :methyl 132:sc= -0.0219 (180deg=-0.253) USER MOD Single : A 84 THR OG1 : rot 75:sc= 0.723 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.098 -0.319 0.942 1.00 0.00 N0 ATOM 2 CA MET A 1 8.089 0.299 0.091 1.00 0.00 C0 ATOM 3 C MET A 1 8.262 1.810 0.038 1.00 0.00 C0 ATOM 4 O MET A 1 7.659 2.486 -0.795 1.00 0.00 O0 ATOM 5 CB MET A 1 6.689 -0.061 0.584 1.00 0.00 C0 ATOM 6 CG MET A 1 6.344 -1.540 0.476 1.00 0.00 C0 ATOM 7 SD MET A 1 4.704 -1.919 1.126 1.00 0.00 S0 ATOM 8 CE MET A 1 3.663 -1.163 -0.120 1.00 0.00 C0 ATOM 0 H1 MET A 1 9.075 -1.351 0.814 1.00 0.00 H new ATOM 0 H2 MET A 1 10.039 0.041 0.683 1.00 0.00 H new ATOM 0 H3 MET A 1 8.901 -0.089 1.937 1.00 0.00 H new ATOM 0 HA MET A 1 8.217 -0.087 -0.920 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.594 0.246 1.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.958 0.512 0.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.396 -1.846 -0.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.089 -2.124 1.017 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.639 -1.517 -0.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.688 -0.079 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.028 -1.432 -1.111 1.00 0.00 H new ATOM 20 N ALA A 2 9.092 2.337 0.932 1.00 0.00 N0 ATOM 21 CA ALA A 2 9.410 3.761 0.937 1.00 0.00 C0 ATOM 22 C ALA A 2 10.145 4.164 -0.335 1.00 0.00 C0 ATOM 23 O ALA A 2 9.964 5.271 -0.843 1.00 0.00 O0 ATOM 24 CB ALA A 2 10.240 4.113 2.163 1.00 0.00 C0 ATOM 0 H ALA A 2 9.557 1.799 1.663 1.00 0.00 H new ATOM 0 HA ALA A 2 8.473 4.316 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.470 5.178 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.678 3.871 3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.168 3.542 2.150 1.00 0.00 H new ATOM 30 N GLU A 3 10.976 3.262 -0.844 1.00 0.00 N0 ATOM 31 CA GLU A 3 11.717 3.510 -2.075 1.00 0.00 C0 ATOM 32 C GLU A 3 10.781 3.585 -3.275 1.00 0.00 C0 ATOM 33 O GLU A 3 11.091 4.231 -4.276 1.00 0.00 O0 ATOM 34 CB GLU A 3 12.762 2.415 -2.299 1.00 0.00 C0 ATOM 35 CG GLU A 3 12.181 1.052 -2.648 1.00 0.00 C0 ATOM 36 CD GLU A 3 11.686 0.301 -1.444 1.00 0.00 C0 ATOM 37 OE1 GLU A 3 11.403 0.928 -0.451 1.00 0.00 O0 ATOM 38 OE2 GLU A 3 11.590 -0.901 -1.516 1.00 0.00 O1- ATOM 0 H GLU A 3 11.154 2.350 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 3 12.222 4.471 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.431 2.727 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.368 2.318 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.359 1.183 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.942 0.457 -3.153 1.00 0.00 H new ATOM 45 N TYR A 4 9.635 2.920 -3.168 1.00 0.00 N0 ATOM 46 CA TYR A 4 8.605 3.001 -4.196 1.00 0.00 C0 ATOM 47 C TYR A 4 7.931 4.367 -4.195 1.00 0.00 C0 ATOM 48 O TYR A 4 7.687 4.950 -5.252 1.00 0.00 O0 ATOM 49 CB TYR A 4 7.565 1.896 -3.998 1.00 0.00 C0 ATOM 50 CG TYR A 4 6.520 1.838 -5.091 1.00 0.00 C0 ATOM 51 CD1 TYR A 4 6.903 1.605 -6.404 1.00 0.00 C0 ATOM 52 CD2 TYR A 4 5.181 2.017 -4.781 1.00 0.00 C0 ATOM 53 CE1 TYR A 4 5.949 1.551 -7.403 1.00 0.00 C0 ATOM 54 CE2 TYR A 4 4.227 1.963 -5.779 1.00 0.00 C0 ATOM 55 CZ TYR A 4 4.608 1.732 -7.085 1.00 0.00 C0 ATOM 56 OH TYR A 4 3.658 1.679 -8.080 1.00 0.00 O0 ATOM 0 H TYR A 4 9.397 2.319 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 4 9.086 2.863 -5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.076 0.935 -3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.067 2.046 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.946 1.466 -6.646 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.883 2.199 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 4 6.244 1.369 -8.426 1.00 0.00 H new ATOM 0 HE2 TYR A 4 3.184 2.102 -5.537 1.00 0.00 H new ATOM 0 HH TYR A 4 2.794 1.423 -7.694 1.00 0.00 H new ATOM 66 N GLY A 5 7.633 4.873 -3.004 1.00 0.00 N0 ATOM 67 CA GLY A 5 7.128 6.233 -2.855 1.00 0.00 C0 ATOM 68 C GLY A 5 8.084 7.246 -3.472 1.00 0.00 C0 ATOM 69 O GLY A 5 7.656 8.202 -4.119 1.00 0.00 O0 ATOM 0 H GLY A 5 7.732 4.362 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.151 6.315 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.988 6.458 -1.798 1.00 0.00 H new ATOM 73 N THR A 6 9.379 7.032 -3.266 1.00 0.00 N0 ATOM 74 CA THR A 6 10.401 7.866 -3.886 1.00 0.00 C0 ATOM 75 C THR A 6 10.333 7.783 -5.406 1.00 0.00 C0 ATOM 76 O THR A 6 10.414 8.798 -6.097 1.00 0.00 O0 ATOM 77 CB THR A 6 11.809 7.464 -3.409 1.00 0.00 C0 ATOM 78 OG1 THR A 6 11.914 7.671 -1.994 1.00 0.00 O0 ATOM 79 CG2 THR A 6 12.869 8.293 -4.119 1.00 0.00 C0 ATOM 0 H THR A 6 9.746 6.287 -2.674 1.00 0.00 H new ATOM 0 HA THR A 6 10.206 8.894 -3.582 1.00 0.00 H new ATOM 0 HB THR A 6 11.969 6.411 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.354 7.018 -1.525 1.00 0.00 H new ATOM 0 HG21 THR A 6 13.858 7.996 -3.770 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.799 8.129 -5.194 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.710 9.349 -3.902 1.00 0.00 H new ATOM 87 N LEU A 7 10.184 6.567 -5.921 1.00 0.00 N0 ATOM 88 CA LEU A 7 10.061 6.353 -7.358 1.00 0.00 C0 ATOM 89 C LEU A 7 8.825 7.048 -7.915 1.00 0.00 C0 ATOM 90 O LEU A 7 8.858 7.609 -9.011 1.00 0.00 O0 ATOM 91 CB LEU A 7 9.993 4.852 -7.666 1.00 0.00 C0 ATOM 92 CG LEU A 7 11.295 4.070 -7.453 1.00 0.00 C0 ATOM 93 CD1 LEU A 7 11.015 2.577 -7.566 1.00 0.00 C0 ATOM 94 CD2 LEU A 7 12.327 4.512 -8.480 1.00 0.00 C0 ATOM 0 H LEU A 7 10.145 5.714 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 7 10.941 6.782 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.217 4.407 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.681 4.726 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 7 11.692 4.271 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.940 2.021 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.288 2.285 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.616 2.355 -8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.252 3.956 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.948 4.319 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.521 5.578 -8.365 1.00 0.00 H new ATOM 106 N LEU A 8 7.737 7.009 -7.154 1.00 0.00 N0 ATOM 107 CA LEU A 8 6.507 7.690 -7.541 1.00 0.00 C0 ATOM 108 C LEU A 8 6.711 9.197 -7.610 1.00 0.00 C0 ATOM 109 O LEU A 8 6.166 9.868 -8.487 1.00 0.00 O0 ATOM 110 CB LEU A 8 5.386 7.364 -6.545 1.00 0.00 C0 ATOM 111 CG LEU A 8 4.862 5.923 -6.582 1.00 0.00 C0 ATOM 112 CD1 LEU A 8 3.898 5.702 -5.424 1.00 0.00 C0 ATOM 113 CD2 LEU A 8 4.179 5.664 -7.917 1.00 0.00 C0 ATOM 0 H LEU A 8 7.682 6.513 -6.265 1.00 0.00 H new ATOM 0 HA LEU A 8 6.225 7.336 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.747 7.574 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.551 8.040 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 8 5.691 5.224 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.526 4.678 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.416 5.875 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.061 6.395 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.807 4.640 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.346 6.356 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.894 5.810 -8.726 1.00 0.00 H new ATOM 125 N GLN A 9 7.499 9.727 -6.679 1.00 0.00 N0 ATOM 126 CA GLN A 9 7.850 11.142 -6.687 1.00 0.00 C0 ATOM 127 C GLN A 9 8.706 11.490 -7.897 1.00 0.00 C0 ATOM 128 O GLN A 9 8.557 12.558 -8.490 1.00 0.00 O0 ATOM 129 CB GLN A 9 8.587 11.518 -5.399 1.00 0.00 C0 ATOM 130 CG GLN A 9 8.877 13.002 -5.258 1.00 0.00 C0 ATOM 131 CD GLN A 9 7.610 13.831 -5.154 1.00 0.00 C0 ATOM 132 OE1 GLN A 9 6.735 13.551 -4.330 1.00 0.00 O0 ATOM 133 NE2 GLN A 9 7.505 14.858 -5.989 1.00 0.00 N0 ATOM 0 H GLN A 9 7.907 9.196 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 9 6.924 11.714 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.992 11.193 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.528 10.970 -5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.490 13.167 -4.372 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.459 13.339 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.253 15.053 -6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.676 15.452 -5.965 1.00 0.00 H new ATOM 142 N ASP A 10 9.606 10.582 -8.260 1.00 0.00 N0 ATOM 143 CA ASP A 10 10.441 10.760 -9.443 1.00 0.00 C0 ATOM 144 C ASP A 10 9.612 10.690 -10.719 1.00 0.00 C0 ATOM 145 O ASP A 10 9.854 11.433 -11.669 1.00 0.00 O0 ATOM 146 CB ASP A 10 11.544 9.700 -9.485 1.00 0.00 C0 ATOM 147 CG ASP A 10 12.619 9.919 -8.428 1.00 0.00 C0 ATOM 148 OD1 ASP A 10 12.706 11.011 -7.916 1.00 0.00 O0 ATOM 149 OD2 ASP A 10 13.342 8.995 -8.144 1.00 0.00 O1- ATOM 0 H ASP A 10 9.776 9.714 -7.751 1.00 0.00 H new ATOM 0 HA ASP A 10 10.896 11.749 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.099 8.715 -9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.006 9.703 -10.472 1.00 0.00 H new ATOM 154 N LEU A 11 8.631 9.793 -10.733 1.00 0.00 N0 ATOM 155 CA LEU A 11 7.745 9.644 -11.880 1.00 0.00 C0 ATOM 156 C LEU A 11 6.939 10.914 -12.123 1.00 0.00 C0 ATOM 157 O LEU A 11 6.881 11.419 -13.243 1.00 0.00 O0 ATOM 158 CB LEU A 11 6.794 8.461 -11.666 1.00 0.00 C0 ATOM 159 CG LEU A 11 7.424 7.068 -11.794 1.00 0.00 C0 ATOM 160 CD1 LEU A 11 6.455 6.021 -11.264 1.00 0.00 C0 ATOM 161 CD2 LEU A 11 7.776 6.802 -13.250 1.00 0.00 C0 ATOM 0 H LEU A 11 8.430 9.158 -9.961 1.00 0.00 H new ATOM 0 HA LEU A 11 8.364 9.456 -12.757 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.352 8.549 -10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.980 8.539 -12.386 1.00 0.00 H new ATOM 0 HG LEU A 11 8.339 7.017 -11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.903 5.031 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.236 6.225 -10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.531 6.055 -11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.224 5.812 -13.341 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.872 6.849 -13.857 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.485 7.554 -13.596 1.00 0.00 H new ATOM 173 N THR A 12 6.319 11.425 -11.065 1.00 0.00 N0 ATOM 174 CA THR A 12 5.439 12.583 -11.179 1.00 0.00 C0 ATOM 175 C THR A 12 6.227 13.842 -11.519 1.00 0.00 C0 ATOM 176 O THR A 12 5.695 14.775 -12.120 1.00 0.00 O0 ATOM 177 CB THR A 12 4.644 12.805 -9.879 1.00 0.00 C0 ATOM 178 OG1 THR A 12 3.487 13.605 -10.154 1.00 0.00 O0 ATOM 179 CG2 THR A 12 5.506 13.505 -8.839 1.00 0.00 C0 ATOM 0 H THR A 12 6.409 11.056 -10.118 1.00 0.00 H new ATOM 0 HA THR A 12 4.739 12.378 -11.989 1.00 0.00 H new ATOM 0 HB THR A 12 4.338 11.835 -9.488 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.525 14.429 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.928 13.653 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.380 12.892 -8.619 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.829 14.472 -9.225 1.00 0.00 H new ATOM 187 N ASN A 13 7.496 13.863 -11.128 1.00 0.00 N0 ATOM 188 CA ASN A 13 8.395 14.948 -11.504 1.00 0.00 C0 ATOM 189 C ASN A 13 8.722 14.904 -12.991 1.00 0.00 C0 ATOM 190 O ASN A 13 8.861 15.943 -13.637 1.00 0.00 O0 ATOM 191 CB ASN A 13 9.666 14.898 -10.677 1.00 0.00 C0 ATOM 192 CG ASN A 13 9.454 15.361 -9.262 1.00 0.00 C0 ATOM 193 OD1 ASN A 13 8.453 16.018 -8.955 1.00 0.00 O0 ATOM 194 ND2 ASN A 13 10.377 15.032 -8.395 1.00 0.00 N0 ATOM 0 H ASN A 13 7.926 13.141 -10.550 1.00 0.00 H new ATOM 0 HA ASN A 13 7.885 15.890 -11.301 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.049 13.878 -10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.427 15.520 -11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 13 10.287 15.319 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.187 14.488 -8.694 1.00 0.00 H new ATOM 201 N ASN A 14 8.843 13.695 -13.529 1.00 0.00 N0 ATOM 202 CA ASN A 14 9.168 13.514 -14.939 1.00 0.00 C0 ATOM 203 C ASN A 14 7.936 13.695 -15.817 1.00 0.00 C0 ATOM 204 O ASN A 14 8.034 14.169 -16.949 1.00 0.00 O0 ATOM 205 CB ASN A 14 9.793 12.150 -15.172 1.00 0.00 C0 ATOM 206 CG ASN A 14 11.183 12.049 -14.608 1.00 0.00 C0 ATOM 207 OD1 ASN A 14 11.903 13.049 -14.514 1.00 0.00 O0 ATOM 208 ND2 ASN A 14 11.575 10.858 -14.231 1.00 0.00 N0 ATOM 0 H ASN A 14 8.721 12.826 -13.010 1.00 0.00 H new ATOM 0 HA ASN A 14 9.892 14.280 -15.216 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.164 11.384 -14.719 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.823 11.946 -16.242 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.509 10.728 -13.841 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.947 10.060 -14.327 1.00 0.00 H new ATOM 215 N ILE A 15 6.778 13.315 -15.288 1.00 0.00 N0 ATOM 216 CA ILE A 15 5.526 13.424 -16.027 1.00 0.00 C0 ATOM 217 C ILE A 15 5.041 14.866 -16.081 1.00 0.00 C0 ATOM 218 O ILE A 15 4.824 15.498 -15.046 1.00 0.00 O0 ATOM 219 CB ILE A 15 4.436 12.538 -15.396 1.00 0.00 C0 ATOM 220 CG1 ILE A 15 4.818 11.060 -15.510 1.00 0.00 C0 ATOM 221 CG2 ILE A 15 3.091 12.796 -16.056 1.00 0.00 C0 ATOM 222 CD1 ILE A 15 3.967 10.142 -14.663 1.00 0.00 C0 ATOM 0 H ILE A 15 6.681 12.928 -14.349 1.00 0.00 H new ATOM 0 HA ILE A 15 5.719 13.081 -17.043 1.00 0.00 H new ATOM 0 HB ILE A 15 4.352 12.792 -14.339 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.739 10.754 -16.553 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.862 10.941 -15.221 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.333 12.161 -15.597 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.816 13.842 -15.924 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.158 12.570 -17.120 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.298 9.112 -14.797 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.064 10.421 -13.614 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.924 10.230 -14.966 1.00 0.00 H new ATOM 234 N THR A 16 4.870 15.383 -17.294 1.00 0.00 N0 ATOM 235 CA THR A 16 4.321 16.720 -17.485 1.00 0.00 C0 ATOM 236 C THR A 16 2.799 16.694 -17.504 1.00 0.00 C0 ATOM 237 O THR A 16 2.187 15.624 -17.512 1.00 0.00 O0 ATOM 238 CB THR A 16 4.843 17.352 -18.790 1.00 0.00 C0 ATOM 239 OG1 THR A 16 4.367 16.597 -19.912 1.00 0.00 O0 ATOM 240 CG2 THR A 16 6.364 17.369 -18.804 1.00 0.00 C0 ATOM 0 H THR A 16 5.104 14.896 -18.159 1.00 0.00 H new ATOM 0 HA THR A 16 4.650 17.327 -16.642 1.00 0.00 H new ATOM 0 HB THR A 16 4.478 18.377 -18.851 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.914 15.791 -20.020 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.714 17.819 -19.733 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.729 17.952 -17.958 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.740 16.349 -18.731 1.00 0.00 H new ATOM 248 N LEU A 17 2.191 17.875 -17.511 1.00 0.00 N0 ATOM 249 CA LEU A 17 0.738 17.988 -17.522 1.00 0.00 C0 ATOM 250 C LEU A 17 0.147 17.371 -18.783 1.00 0.00 C0 ATOM 251 O LEU A 17 -0.926 16.768 -18.746 1.00 0.00 O0 ATOM 252 CB LEU A 17 0.320 19.461 -17.423 1.00 0.00 C0 ATOM 253 CG LEU A 17 0.600 20.143 -16.078 1.00 0.00 C0 ATOM 254 CD1 LEU A 17 0.278 21.628 -16.184 1.00 0.00 C0 ATOM 255 CD2 LEU A 17 -0.233 19.481 -14.991 1.00 0.00 C0 ATOM 0 H LEU A 17 2.683 18.769 -17.509 1.00 0.00 H new ATOM 0 HA LEU A 17 0.354 17.443 -16.660 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.834 20.019 -18.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.748 19.531 -17.630 1.00 0.00 H new ATOM 0 HG LEU A 17 1.653 20.037 -15.819 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.477 22.113 -15.228 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.899 22.081 -16.957 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.773 21.755 -16.443 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.034 19.965 -14.035 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.291 19.578 -15.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.029 18.425 -14.924 1.00 0.00 H new ATOM 267 N GLU A 18 0.853 17.524 -19.898 1.00 0.00 N0 ATOM 268 CA GLU A 18 0.448 16.902 -21.153 1.00 0.00 C0 ATOM 269 C GLU A 18 0.581 15.387 -21.084 1.00 0.00 C0 ATOM 270 O GLU A 18 -0.317 14.655 -21.503 1.00 0.00 O0 ATOM 271 CB GLU A 18 1.286 17.445 -22.312 1.00 0.00 C0 ATOM 272 CG GLU A 18 0.989 16.801 -23.659 1.00 0.00 C0 ATOM 273 CD GLU A 18 -0.413 17.061 -24.135 1.00 0.00 C0 ATOM 274 OE1 GLU A 18 -0.984 18.045 -23.730 1.00 0.00 O0 ATOM 275 OE2 GLU A 18 -0.913 16.274 -24.904 1.00 0.00 O1- ATOM 0 H GLU A 18 1.710 18.074 -19.958 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.600 17.147 -21.323 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.120 18.519 -22.392 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.341 17.302 -22.079 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.695 17.178 -24.400 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.149 15.725 -23.585 1.00 0.00 H new ATOM 282 N ASP A 19 1.706 14.920 -20.552 1.00 0.00 N0 ATOM 283 CA ASP A 19 1.925 13.491 -20.354 1.00 0.00 C0 ATOM 284 C ASP A 19 0.865 12.894 -19.439 1.00 0.00 C0 ATOM 285 O ASP A 19 0.376 11.790 -19.678 1.00 0.00 O0 ATOM 286 CB ASP A 19 3.316 13.238 -19.769 1.00 0.00 C0 ATOM 287 CG ASP A 19 4.438 13.543 -20.753 1.00 0.00 C0 ATOM 288 OD1 ASP A 19 4.288 13.229 -21.910 1.00 0.00 O0 ATOM 289 OD2 ASP A 19 5.433 14.086 -20.338 1.00 0.00 O1- ATOM 0 H ASP A 19 2.481 15.511 -20.250 1.00 0.00 H new ATOM 0 HA ASP A 19 1.853 13.007 -21.328 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.446 13.850 -18.877 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.388 12.197 -19.455 1.00 0.00 H new ATOM 294 N LEU A 20 0.514 13.629 -18.389 1.00 0.00 N0 ATOM 295 CA LEU A 20 -0.481 13.167 -17.428 1.00 0.00 C0 ATOM 296 C LEU A 20 -1.824 12.920 -18.101 1.00 0.00 C0 ATOM 297 O LEU A 20 -2.430 11.862 -17.928 1.00 0.00 O0 ATOM 298 CB LEU A 20 -0.647 14.195 -16.302 1.00 0.00 C0 ATOM 299 CG LEU A 20 -1.762 13.900 -15.291 1.00 0.00 C0 ATOM 300 CD1 LEU A 20 -1.478 12.576 -14.594 1.00 0.00 C0 ATOM 301 CD2 LEU A 20 -1.851 15.040 -14.286 1.00 0.00 C0 ATOM 0 H LEU A 20 0.904 14.548 -18.182 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.129 12.224 -17.009 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.297 14.271 -15.762 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.837 15.170 -16.750 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.720 13.820 -15.805 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.270 12.366 -13.875 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.438 11.777 -15.334 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.522 12.637 -14.073 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.643 14.831 -13.567 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.901 15.137 -13.761 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.073 15.970 -14.809 1.00 0.00 H new ATOM 313 N GLU A 21 -2.285 13.900 -18.869 1.00 0.00 N0 ATOM 314 CA GLU A 21 -3.590 13.821 -19.512 1.00 0.00 C0 ATOM 315 C GLU A 21 -3.625 12.712 -20.556 1.00 0.00 C0 ATOM 316 O GLU A 21 -4.665 12.097 -20.788 1.00 0.00 O0 ATOM 317 CB GLU A 21 -3.946 15.159 -20.165 1.00 0.00 C0 ATOM 318 CG GLU A 21 -4.290 16.267 -19.179 1.00 0.00 C0 ATOM 319 CD GLU A 21 -5.488 15.944 -18.330 1.00 0.00 C0 ATOM 320 OE1 GLU A 21 -6.480 15.516 -18.871 1.00 0.00 O0 ATOM 321 OE2 GLU A 21 -5.413 16.125 -17.137 1.00 0.00 O1- ATOM 0 H GLU A 21 -1.773 14.761 -19.062 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.326 13.591 -18.741 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.107 15.484 -20.780 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.793 15.009 -20.835 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.432 16.450 -18.533 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.478 17.190 -19.728 1.00 0.00 H new ATOM 328 N GLN A 22 -2.480 12.461 -21.182 1.00 0.00 N0 ATOM 329 CA GLN A 22 -2.340 11.340 -22.103 1.00 0.00 C0 ATOM 330 C GLN A 22 -2.450 10.008 -21.370 1.00 0.00 C0 ATOM 331 O GLN A 22 -3.085 9.073 -21.855 1.00 0.00 O0 ATOM 332 CB GLN A 22 -1.004 11.419 -22.847 1.00 0.00 C0 ATOM 333 CG GLN A 22 -0.927 12.539 -23.870 1.00 0.00 C0 ATOM 334 CD GLN A 22 0.424 12.605 -24.554 1.00 0.00 C0 ATOM 335 OE1 GLN A 22 1.237 11.682 -24.447 1.00 0.00 O0 ATOM 336 NE2 GLN A 22 0.674 13.700 -25.264 1.00 0.00 N0 ATOM 0 H GLN A 22 -1.635 13.020 -21.068 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.153 11.401 -22.827 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.203 11.551 -22.120 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.824 10.469 -23.350 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.705 12.396 -24.620 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.129 13.491 -23.379 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.027 14.439 -25.326 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.566 13.802 -25.747 1.00 0.00 H new ATOM 345 N LEU A 23 -1.827 9.930 -20.200 1.00 0.00 N0 ATOM 346 CA LEU A 23 -1.925 8.745 -19.357 1.00 0.00 C0 ATOM 347 C LEU A 23 -3.343 8.561 -18.829 1.00 0.00 C0 ATOM 348 O LEU A 23 -3.851 7.441 -18.765 1.00 0.00 O0 ATOM 349 CB LEU A 23 -0.945 8.846 -18.182 1.00 0.00 C0 ATOM 350 CG LEU A 23 0.542 8.741 -18.546 1.00 0.00 C0 ATOM 351 CD1 LEU A 23 1.388 9.073 -17.325 1.00 0.00 C0 ATOM 352 CD2 LEU A 23 0.842 7.340 -19.055 1.00 0.00 C0 ATOM 0 H LEU A 23 -1.248 10.675 -19.813 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.669 7.879 -19.967 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.110 9.797 -17.676 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.182 8.059 -17.466 1.00 0.00 H new ATOM 0 HG LEU A 23 0.784 9.452 -19.336 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.444 8.999 -17.583 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.166 10.087 -16.993 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.160 8.371 -16.523 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.898 7.265 -19.314 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.606 6.612 -18.278 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.237 7.137 -19.938 1.00 0.00 H new ATOM 364 N LYS A 24 -3.975 9.666 -18.450 1.00 0.00 N0 ATOM 365 CA LYS A 24 -5.358 9.637 -17.989 1.00 0.00 C0 ATOM 366 C LYS A 24 -6.307 9.245 -19.114 1.00 0.00 C0 ATOM 367 O LYS A 24 -7.308 8.566 -18.887 1.00 0.00 O0 ATOM 368 CB LYS A 24 -5.759 10.996 -17.412 1.00 0.00 C0 ATOM 369 CG LYS A 24 -5.113 11.325 -16.072 1.00 0.00 C0 ATOM 370 CD LYS A 24 -5.243 12.805 -15.746 1.00 0.00 C0 ATOM 371 CE LYS A 24 -6.686 13.182 -15.441 1.00 0.00 C0 ATOM 372 NZ LYS A 24 -6.812 14.599 -15.002 1.00 0.00 N1+ ATOM 0 H LYS A 24 -3.551 10.594 -18.453 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.431 8.884 -17.205 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.496 11.774 -18.129 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.842 11.023 -17.296 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.582 10.734 -15.285 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.059 11.046 -16.095 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.613 13.047 -14.890 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.880 13.397 -16.586 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.298 13.022 -16.329 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.075 12.526 -14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.814 14.824 -14.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.277 14.739 -14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.434 15.226 -15.740 1.00 0.00 H new ATOM 386 N SER A 25 -5.987 9.678 -20.329 1.00 0.00 N0 ATOM 387 CA SER A 25 -6.748 9.285 -21.509 1.00 0.00 C0 ATOM 388 C SER A 25 -6.565 7.804 -21.813 1.00 0.00 C0 ATOM 389 O SER A 25 -7.510 7.120 -22.207 1.00 0.00 O0 ATOM 390 CB SER A 25 -6.322 10.113 -22.705 1.00 0.00 C0 ATOM 391 OG SER A 25 -6.649 11.464 -22.522 1.00 0.00 O0 ATOM 0 H SER A 25 -5.204 10.303 -20.522 1.00 0.00 H new ATOM 0 HA SER A 25 -7.803 9.464 -21.304 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.247 10.013 -22.857 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.808 9.736 -23.605 1.00 0.00 H new ATOM 0 HG SER A 25 -5.929 11.911 -22.030 1.00 0.00 H new ATOM 397 N ALA A 26 -5.344 7.313 -21.631 1.00 0.00 N0 ATOM 398 CA ALA A 26 -5.045 5.902 -21.839 1.00 0.00 C0 ATOM 399 C ALA A 26 -5.911 5.019 -20.950 1.00 0.00 C0 ATOM 400 O ALA A 26 -6.373 3.958 -21.372 1.00 0.00 O0 ATOM 401 CB ALA A 26 -3.571 5.628 -21.581 1.00 0.00 C0 ATOM 0 H ALA A 26 -4.544 7.874 -21.339 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.271 5.660 -22.878 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.364 4.570 -21.741 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.965 6.223 -22.264 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.326 5.894 -20.553 1.00 0.00 H new ATOM 407 N CYS A 27 -6.129 5.463 -19.716 1.00 0.00 N0 ATOM 408 CA CYS A 27 -7.008 4.756 -18.792 1.00 0.00 C0 ATOM 409 C CYS A 27 -8.306 5.522 -18.571 1.00 0.00 C0 ATOM 410 O CYS A 27 -8.844 5.544 -17.465 1.00 0.00 O0 ATOM 411 CB CYS A 27 -6.314 4.542 -17.448 1.00 0.00 C0 ATOM 412 SG CYS A 27 -4.868 3.458 -17.527 1.00 0.00 S0 ATOM 0 H CYS A 27 -5.709 6.310 -19.333 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.242 3.789 -19.238 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.008 5.510 -17.051 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.032 4.122 -16.744 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.348 3.341 -16.341 1.00 0.00 H new ATOM 418 N LYS A 28 -8.804 6.150 -19.631 1.00 0.00 N0 ATOM 419 CA LYS A 28 -10.033 6.930 -19.551 1.00 0.00 C0 ATOM 420 C LYS A 28 -11.211 6.061 -19.130 1.00 0.00 C0 ATOM 421 O LYS A 28 -12.102 6.513 -18.410 1.00 0.00 O0 ATOM 422 CB LYS A 28 -10.328 7.603 -20.893 1.00 0.00 C0 ATOM 423 CG LYS A 28 -11.556 8.504 -20.888 1.00 0.00 C0 ATOM 424 CD LYS A 28 -11.727 9.212 -22.224 1.00 0.00 C0 ATOM 425 CE LYS A 28 -12.967 10.094 -22.229 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -13.148 10.793 -23.530 1.00 0.00 N1+ ATOM 0 H LYS A 28 -8.375 6.134 -20.556 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.891 7.700 -18.793 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.460 8.193 -21.188 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.462 6.831 -21.651 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.444 7.910 -20.672 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.465 9.243 -20.092 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.846 9.819 -22.431 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.800 8.474 -23.022 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.846 9.485 -22.019 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.891 10.831 -21.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.004 11.383 -23.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.321 11.395 -23.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.246 10.091 -24.291 1.00 0.00 H new ATOM 440 N GLU A 29 -11.210 4.813 -19.584 1.00 0.00 N0 ATOM 441 CA GLU A 29 -12.308 3.895 -19.301 1.00 0.00 C0 ATOM 442 C GLU A 29 -12.244 3.385 -17.868 1.00 0.00 C0 ATOM 443 O GLU A 29 -13.223 2.855 -17.343 1.00 0.00 O0 ATOM 444 CB GLU A 29 -12.277 2.713 -20.274 1.00 0.00 C0 ATOM 445 CG GLU A 29 -12.570 3.084 -21.721 1.00 0.00 C0 ATOM 446 CD GLU A 29 -12.514 1.903 -22.650 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -12.161 0.837 -22.204 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -12.824 2.066 -23.806 1.00 0.00 O1- ATOM 0 H GLU A 29 -10.461 4.413 -20.150 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.242 4.442 -19.429 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.295 2.242 -20.224 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.004 1.970 -19.947 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.558 3.541 -21.781 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.852 3.834 -22.051 1.00 0.00 H new ATOM 455 N ASP A 30 -11.086 3.549 -17.237 1.00 0.00 N0 ATOM 456 CA ASP A 30 -10.877 3.064 -15.879 1.00 0.00 C0 ATOM 457 C ASP A 30 -11.099 4.171 -14.857 1.00 0.00 C0 ATOM 458 O ASP A 30 -11.525 3.916 -13.731 1.00 0.00 O0 ATOM 459 CB ASP A 30 -9.465 2.494 -15.723 1.00 0.00 C0 ATOM 460 CG ASP A 30 -9.215 1.281 -16.609 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -10.013 0.375 -16.583 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -8.227 1.273 -17.305 1.00 0.00 O1- ATOM 0 H ASP A 30 -10.276 4.015 -17.646 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.605 2.274 -15.696 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.737 3.269 -15.963 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.304 2.216 -14.681 1.00 0.00 H new ATOM 467 N ILE A 31 -10.809 5.405 -15.257 1.00 0.00 N0 ATOM 468 CA ILE A 31 -10.883 6.543 -14.349 1.00 0.00 C0 ATOM 469 C ILE A 31 -12.201 7.290 -14.510 1.00 0.00 C0 ATOM 470 O ILE A 31 -12.477 7.863 -15.564 1.00 0.00 O0 ATOM 471 CB ILE A 31 -9.711 7.513 -14.585 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -8.375 6.796 -14.374 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -9.824 8.717 -13.663 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -7.177 7.585 -14.849 1.00 0.00 C0 ATOM 0 H ILE A 31 -10.520 5.642 -16.206 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.822 6.152 -13.333 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.754 7.865 -15.616 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.255 6.575 -13.313 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.400 5.840 -14.898 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.988 9.393 -13.843 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.761 9.239 -13.859 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.805 8.384 -12.625 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.268 7.012 -14.666 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.272 7.783 -15.917 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.126 8.530 -14.308 1.00 0.00 H new ATOM 486 N PRO A 32 -13.014 7.281 -13.458 1.00 0.00 N0 ATOM 487 CA PRO A 32 -14.262 8.032 -13.448 1.00 0.00 C0 ATOM 488 C PRO A 32 -14.020 9.508 -13.737 1.00 0.00 C0 ATOM 489 O PRO A 32 -12.968 10.052 -13.399 1.00 0.00 O0 ATOM 490 CB PRO A 32 -14.783 7.815 -12.024 1.00 0.00 C0 ATOM 491 CG PRO A 32 -14.171 6.523 -11.603 1.00 0.00 C0 ATOM 492 CD PRO A 32 -12.792 6.548 -12.208 1.00 0.00 C0 ATOM 0 HA PRO A 32 -14.967 7.707 -14.213 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -14.487 8.630 -11.363 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.872 7.766 -12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.127 6.439 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.749 5.673 -11.965 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.073 7.053 -11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.408 5.544 -12.388 1.00 0.00 H new ATOM 500 N SER A 33 -14.998 10.151 -14.366 1.00 0.00 N0 ATOM 501 CA SER A 33 -14.883 11.560 -14.722 1.00 0.00 C0 ATOM 502 C SER A 33 -14.692 12.427 -13.484 1.00 0.00 C0 ATOM 503 O SER A 33 -14.052 13.477 -13.543 1.00 0.00 O0 ATOM 504 CB SER A 33 -16.118 12.009 -15.479 1.00 0.00 C0 ATOM 505 OG SER A 33 -17.250 11.983 -14.655 1.00 0.00 O0 ATOM 0 H SER A 33 -15.880 9.718 -14.640 1.00 0.00 H new ATOM 0 HA SER A 33 -14.006 11.676 -15.359 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.967 13.018 -15.863 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.276 11.361 -16.341 1.00 0.00 H new ATOM 0 HG SER A 33 -18.033 12.278 -15.165 1.00 0.00 H new ATOM 511 N GLU A 34 -15.252 11.983 -12.364 1.00 0.00 N0 ATOM 512 CA GLU A 34 -15.068 12.669 -11.091 1.00 0.00 C0 ATOM 513 C GLU A 34 -13.637 12.526 -10.591 1.00 0.00 C0 ATOM 514 O GLU A 34 -13.104 13.424 -9.939 1.00 0.00 O0 ATOM 515 CB GLU A 34 -16.041 12.121 -10.044 1.00 0.00 C0 ATOM 516 CG GLU A 34 -17.502 12.453 -10.309 1.00 0.00 C0 ATOM 517 CD GLU A 34 -18.432 11.861 -9.287 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -17.983 11.075 -8.489 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -19.593 12.198 -9.303 1.00 0.00 O1- ATOM 0 H GLU A 34 -15.838 11.150 -12.312 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.272 13.728 -11.251 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.930 11.038 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.763 12.515 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.627 13.536 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.778 12.089 -11.298 1.00 0.00 H new ATOM 526 N LYS A 35 -13.017 11.392 -10.901 1.00 0.00 N0 ATOM 527 CA LYS A 35 -11.653 11.119 -10.462 1.00 0.00 C0 ATOM 528 C LYS A 35 -10.636 11.767 -11.391 1.00 0.00 C0 ATOM 529 O LYS A 35 -9.496 12.019 -10.999 1.00 0.00 O0 ATOM 530 CB LYS A 35 -11.409 9.612 -10.382 1.00 0.00 C0 ATOM 531 CG LYS A 35 -12.231 8.896 -9.318 1.00 0.00 C0 ATOM 532 CD LYS A 35 -11.935 9.441 -7.930 1.00 0.00 C0 ATOM 533 CE LYS A 35 -12.832 8.804 -6.880 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -12.603 9.381 -5.528 1.00 0.00 N1+ ATOM 0 H LYS A 35 -13.438 10.646 -11.455 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.529 11.550 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.629 9.169 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.351 9.438 -10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.292 9.011 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.014 7.828 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.891 9.255 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.076 10.522 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.876 8.943 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.650 7.730 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.333 9.033 -4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.664 9.095 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.652 10.419 -5.581 1.00 0.00 H new ATOM 548 N SER A 36 -11.053 12.034 -12.624 1.00 0.00 N0 ATOM 549 CA SER A 36 -10.221 12.762 -13.573 1.00 0.00 C0 ATOM 550 C SER A 36 -10.029 14.210 -13.140 1.00 0.00 C0 ATOM 551 O SER A 36 -9.102 14.886 -13.588 1.00 0.00 O0 ATOM 552 CB SER A 36 -10.843 12.717 -14.956 1.00 0.00 C0 ATOM 553 OG SER A 36 -11.961 13.557 -15.030 1.00 0.00 O0 ATOM 0 H SER A 36 -11.964 11.756 -12.989 1.00 0.00 H new ATOM 0 HA SER A 36 -9.243 12.281 -13.600 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.106 13.020 -15.700 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.135 11.694 -15.194 1.00 0.00 H new ATOM 0 HG SER A 36 -12.534 13.408 -14.249 1.00 0.00 H new ATOM 559 N GLU A 37 -10.912 14.684 -12.266 1.00 0.00 N0 ATOM 560 CA GLU A 37 -10.767 16.006 -11.671 1.00 0.00 C0 ATOM 561 C GLU A 37 -9.864 15.962 -10.445 1.00 0.00 C0 ATOM 562 O GLU A 37 -9.217 16.953 -10.104 1.00 0.00 O0 ATOM 563 CB GLU A 37 -12.137 16.570 -11.288 1.00 0.00 C0 ATOM 564 CG GLU A 37 -13.050 16.863 -12.470 1.00 0.00 C0 ATOM 565 CD GLU A 37 -14.376 17.439 -12.056 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -14.623 17.526 -10.878 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -15.144 17.790 -12.921 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.736 14.170 -11.955 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.306 16.657 -12.413 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.636 15.862 -10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.992 17.489 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.551 17.560 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.218 15.943 -13.030 1.00 0.00 H new ATOM 574 N GLU A 38 -9.824 14.809 -9.786 1.00 0.00 N0 ATOM 575 CA GLU A 38 -8.990 14.631 -8.604 1.00 0.00 C0 ATOM 576 C GLU A 38 -7.524 14.465 -8.985 1.00 0.00 C0 ATOM 577 O GLU A 38 -6.635 14.971 -8.301 1.00 0.00 O0 ATOM 578 CB GLU A 38 -9.459 13.418 -7.799 1.00 0.00 C0 ATOM 579 CG GLU A 38 -10.818 13.590 -7.135 1.00 0.00 C0 ATOM 580 CD GLU A 38 -11.197 12.423 -6.266 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -10.339 11.629 -5.963 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -12.346 12.327 -5.904 1.00 0.00 O1- ATOM 0 H GLU A 38 -10.360 13.983 -10.051 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.086 15.527 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.498 12.552 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.718 13.199 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.810 14.498 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.578 13.725 -7.904 1.00 0.00 H new ATOM 589 N ILE A 39 -7.279 13.752 -10.078 1.00 0.00 N0 ATOM 590 CA ILE A 39 -5.920 13.503 -10.542 1.00 0.00 C0 ATOM 591 C ILE A 39 -5.329 14.739 -11.208 1.00 0.00 C0 ATOM 592 O ILE A 39 -5.686 15.078 -12.336 1.00 0.00 O0 ATOM 593 CB ILE A 39 -5.883 12.320 -11.528 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -6.349 11.036 -10.838 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -4.484 12.146 -12.098 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -6.579 9.882 -11.787 1.00 0.00 C0 ATOM 0 H ILE A 39 -8.006 13.335 -10.660 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.320 13.256 -9.667 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.564 12.533 -12.352 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.605 10.742 -10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.274 11.240 -10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.476 11.306 -12.793 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.190 13.054 -12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.782 11.953 -11.287 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.907 9.008 -11.224 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.345 10.155 -12.513 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.651 9.650 -12.309 1.00 0.00 H new ATOM 608 N THR A 40 -4.423 15.409 -10.504 1.00 0.00 N0 ATOM 609 CA THR A 40 -3.787 16.613 -11.022 1.00 0.00 C0 ATOM 610 C THR A 40 -2.285 16.415 -11.186 1.00 0.00 C0 ATOM 611 O THR A 40 -1.606 17.230 -11.810 1.00 0.00 O0 ATOM 612 CB THR A 40 -4.053 17.820 -10.104 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -3.504 17.565 -8.804 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -5.546 18.077 -9.979 1.00 0.00 C0 ATOM 0 H THR A 40 -4.113 15.137 -9.571 1.00 0.00 H new ATOM 0 HA THR A 40 -4.223 16.813 -12.001 1.00 0.00 H new ATOM 0 HB THR A 40 -3.580 18.700 -10.540 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.672 18.335 -8.221 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.714 18.934 -9.326 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.963 18.284 -10.964 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.032 17.198 -9.556 1.00 0.00 H new ATOM 622 N THR A 41 -1.771 15.328 -10.620 1.00 0.00 N0 ATOM 623 CA THR A 41 -0.357 14.993 -10.746 1.00 0.00 C0 ATOM 624 C THR A 41 -0.171 13.567 -11.246 1.00 0.00 C0 ATOM 625 O THR A 41 -1.111 12.773 -11.251 1.00 0.00 O0 ATOM 626 CB THR A 41 0.376 15.171 -9.403 1.00 0.00 C0 ATOM 627 OG1 THR A 41 -0.091 14.190 -8.468 1.00 0.00 O0 ATOM 628 CG2 THR A 41 0.127 16.562 -8.839 1.00 0.00 C0 ATOM 0 H THR A 41 -2.313 14.663 -10.069 1.00 0.00 H new ATOM 0 HA THR A 41 0.073 15.678 -11.476 1.00 0.00 H new ATOM 0 HB THR A 41 1.446 15.044 -9.570 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.676 13.732 -8.064 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.653 16.669 -7.890 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.492 17.310 -9.543 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.942 16.704 -8.680 1.00 0.00 H new ATOM 636 N GLY A 42 1.048 13.248 -11.670 1.00 0.00 N0 ATOM 637 CA GLY A 42 1.390 11.888 -12.066 1.00 0.00 C0 ATOM 638 C GLY A 42 1.311 10.933 -10.882 1.00 0.00 C0 ATOM 639 O GLY A 42 0.897 9.783 -11.026 1.00 0.00 O0 ATOM 0 H GLY A 42 1.816 13.915 -11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.712 11.554 -12.852 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.396 11.870 -12.484 1.00 0.00 H new ATOM 643 N SER A 43 1.712 11.416 -9.711 1.00 0.00 N0 ATOM 644 CA SER A 43 1.631 10.626 -8.488 1.00 0.00 C0 ATOM 645 C SER A 43 0.184 10.331 -8.116 1.00 0.00 C0 ATOM 646 O SER A 43 -0.126 9.267 -7.581 1.00 0.00 O0 ATOM 647 CB SER A 43 2.318 11.355 -7.350 1.00 0.00 C0 ATOM 648 OG SER A 43 1.632 12.533 -7.022 1.00 0.00 O0 ATOM 0 H SER A 43 2.097 12.352 -9.583 1.00 0.00 H new ATOM 0 HA SER A 43 2.136 9.677 -8.667 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.371 10.705 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.343 11.594 -7.632 1.00 0.00 H new ATOM 0 HG SER A 43 2.093 12.985 -6.285 1.00 0.00 H new ATOM 654 N ALA A 44 -0.700 11.282 -8.402 1.00 0.00 N0 ATOM 655 CA ALA A 44 -2.129 11.086 -8.194 1.00 0.00 C0 ATOM 656 C ALA A 44 -2.685 10.030 -9.141 1.00 0.00 C0 ATOM 657 O ALA A 44 -3.541 9.232 -8.763 1.00 0.00 O0 ATOM 658 CB ALA A 44 -2.876 12.400 -8.372 1.00 0.00 C0 ATOM 0 H ALA A 44 -0.451 12.196 -8.779 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.274 10.733 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.942 12.237 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.509 13.128 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.713 12.777 -9.382 1.00 0.00 H new ATOM 664 N TRP A 45 -2.191 10.030 -10.375 1.00 0.00 N0 ATOM 665 CA TRP A 45 -2.604 9.044 -11.366 1.00 0.00 C0 ATOM 666 C TRP A 45 -2.213 7.636 -10.939 1.00 0.00 C0 ATOM 667 O TRP A 45 -3.009 6.703 -11.039 1.00 0.00 O0 ATOM 668 CB TRP A 45 -1.978 9.362 -12.726 1.00 0.00 C0 ATOM 669 CG TRP A 45 -2.476 8.482 -13.833 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 -3.717 8.504 -14.395 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -1.743 7.442 -14.523 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 -3.807 7.553 -15.381 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -2.607 6.894 -15.473 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 -0.440 6.939 -14.411 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 -2.216 5.863 -16.314 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 -0.047 5.907 -15.254 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 -0.912 5.384 -16.181 1.00 0.00 C0 ATOM 0 H TRP A 45 -1.503 10.703 -10.712 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.690 9.091 -11.448 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -2.185 10.402 -12.978 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.895 9.261 -12.651 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.514 9.173 -14.107 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -4.631 7.367 -15.952 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.246 7.346 -13.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.895 5.447 -17.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.955 5.511 -15.178 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.576 4.583 -16.823 1.00 0.00 H new ATOM 688 N PHE A 46 -0.981 7.488 -10.462 1.00 0.00 N0 ATOM 689 CA PHE A 46 -0.497 6.201 -9.978 1.00 0.00 C0 ATOM 690 C PHE A 46 -1.151 5.828 -8.654 1.00 0.00 C0 ATOM 691 O PHE A 46 -1.378 4.651 -8.373 1.00 0.00 O0 ATOM 692 CB PHE A 46 1.024 6.232 -9.810 1.00 0.00 C0 ATOM 693 CG PHE A 46 1.780 6.013 -11.089 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 2.484 7.051 -11.683 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 1.788 4.770 -11.704 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 3.180 6.851 -12.860 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 2.483 4.567 -12.881 1.00 0.00 C0 ATOM 698 CZ PHE A 46 3.180 5.610 -13.459 1.00 0.00 C0 ATOM 0 H PHE A 46 -0.300 8.244 -10.401 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.763 5.447 -10.719 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.314 7.194 -9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.316 5.467 -9.091 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.488 8.027 -11.220 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.244 3.951 -11.258 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.724 7.668 -13.311 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.481 3.593 -13.349 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.724 5.453 -14.379 1.00 0.00 H new ATOM 708 N SER A 47 -1.453 6.837 -7.844 1.00 0.00 N0 ATOM 709 CA SER A 47 -2.165 6.626 -6.589 1.00 0.00 C0 ATOM 710 C SER A 47 -3.551 6.043 -6.834 1.00 0.00 C0 ATOM 711 O SER A 47 -4.002 5.161 -6.103 1.00 0.00 O0 ATOM 712 CB SER A 47 -2.283 7.932 -5.830 1.00 0.00 C0 ATOM 713 OG SER A 47 -1.027 8.373 -5.390 1.00 0.00 O0 ATOM 0 H SER A 47 -1.215 7.810 -8.035 1.00 0.00 H new ATOM 0 HA SER A 47 -1.594 5.913 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.734 8.690 -6.471 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.946 7.801 -4.975 1.00 0.00 H new ATOM 0 HG SER A 47 -0.668 9.025 -6.027 1.00 0.00 H new ATOM 719 N PHE A 48 -4.223 6.541 -7.866 1.00 0.00 N0 ATOM 720 CA PHE A 48 -5.475 5.949 -8.324 1.00 0.00 C0 ATOM 721 C PHE A 48 -5.289 4.482 -8.691 1.00 0.00 C0 ATOM 722 O PHE A 48 -6.056 3.622 -8.258 1.00 0.00 O0 ATOM 723 CB PHE A 48 -6.020 6.717 -9.528 1.00 0.00 C0 ATOM 724 CG PHE A 48 -7.267 6.118 -10.114 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -8.519 6.590 -9.749 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -7.191 5.081 -11.031 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -9.667 6.039 -10.288 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -8.336 4.529 -11.573 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -9.576 5.009 -11.199 1.00 0.00 C0 ATOM 0 H PHE A 48 -3.921 7.355 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.191 6.012 -7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.227 7.744 -9.229 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.251 6.759 -10.299 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.598 7.397 -9.036 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.224 4.700 -11.326 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.636 6.416 -9.995 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.261 3.723 -12.288 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.472 4.578 -11.620 1.00 0.00 H new ATOM 739 N LEU A 49 -4.266 4.203 -9.493 1.00 0.00 N0 ATOM 740 CA LEU A 49 -4.014 2.849 -9.968 1.00 0.00 C0 ATOM 741 C LEU A 49 -3.698 1.909 -8.812 1.00 0.00 C0 ATOM 742 O LEU A 49 -4.066 0.734 -8.836 1.00 0.00 O0 ATOM 743 CB LEU A 49 -2.850 2.847 -10.969 1.00 0.00 C0 ATOM 744 CG LEU A 49 -3.106 3.589 -12.287 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -1.815 3.655 -13.091 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -4.201 2.876 -13.067 1.00 0.00 C0 ATOM 0 H LEU A 49 -3.598 4.898 -9.827 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.919 2.494 -10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.979 3.291 -10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.594 1.813 -11.199 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.437 4.607 -12.084 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.996 4.182 -14.028 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.056 4.186 -12.517 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.467 2.644 -13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.383 3.403 -14.003 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.889 1.854 -13.281 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.117 2.860 -12.476 1.00 0.00 H new ATOM 758 N GLU A 50 -3.014 2.432 -7.800 1.00 0.00 N0 ATOM 759 CA GLU A 50 -2.675 1.649 -6.618 1.00 0.00 C0 ATOM 760 C GLU A 50 -3.883 1.476 -5.706 1.00 0.00 C0 ATOM 761 O GLU A 50 -4.111 0.396 -5.160 1.00 0.00 O0 ATOM 762 CB GLU A 50 -1.532 2.313 -5.848 1.00 0.00 C0 ATOM 763 CG GLU A 50 -0.171 2.203 -6.521 1.00 0.00 C0 ATOM 764 CD GLU A 50 0.372 0.801 -6.515 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 -0.197 -0.033 -5.853 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 1.358 0.565 -7.173 1.00 0.00 O1- ATOM 0 H GLU A 50 -2.683 3.397 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.355 0.662 -6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.770 3.367 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.470 1.865 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.251 2.552 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.534 2.863 -6.015 1.00 0.00 H new ATOM 773 N SER A 51 -4.653 2.546 -5.545 1.00 0.00 N0 ATOM 774 CA SER A 51 -5.778 2.548 -4.616 1.00 0.00 C0 ATOM 775 C SER A 51 -6.901 1.645 -5.109 1.00 0.00 C0 ATOM 776 O SER A 51 -7.550 0.958 -4.320 1.00 0.00 O0 ATOM 777 CB SER A 51 -6.297 3.960 -4.428 1.00 0.00 C0 ATOM 778 OG SER A 51 -5.335 4.770 -3.809 1.00 0.00 O0 ATOM 0 H SER A 51 -4.519 3.424 -6.046 1.00 0.00 H new ATOM 0 HA SER A 51 -5.425 2.163 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.567 4.384 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.204 3.941 -3.824 1.00 0.00 H new ATOM 0 HG SER A 51 -4.637 5.002 -4.456 1.00 0.00 H new ATOM 784 N HIS A 52 -7.127 1.651 -6.418 1.00 0.00 N0 ATOM 785 CA HIS A 52 -8.235 0.910 -7.008 1.00 0.00 C0 ATOM 786 C HIS A 52 -7.752 -0.382 -7.655 1.00 0.00 C0 ATOM 787 O HIS A 52 -8.508 -1.058 -8.352 1.00 0.00 O0 ATOM 788 CB HIS A 52 -8.966 1.766 -8.048 1.00 0.00 C0 ATOM 789 CG HIS A 52 -9.649 2.966 -7.468 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -10.920 2.912 -6.937 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -9.238 4.248 -7.335 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -11.262 4.113 -6.501 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -10.259 4.941 -6.731 1.00 0.00 N0 ATOM 0 H HIS A 52 -6.556 2.162 -7.092 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.926 0.658 -6.204 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.251 2.095 -8.802 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.706 1.149 -8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.285 4.651 -7.646 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -12.202 4.372 -6.036 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -10.245 5.934 -6.498 1.00 0.00 H new ATOM 801 N ASN A 53 -6.489 -0.720 -7.419 1.00 0.00 N0 ATOM 802 CA ASN A 53 -5.930 -1.977 -7.899 1.00 0.00 C0 ATOM 803 C ASN A 53 -6.142 -2.136 -9.399 1.00 0.00 C0 ATOM 804 O ASN A 53 -6.600 -3.180 -9.864 1.00 0.00 O0 ATOM 805 CB ASN A 53 -6.531 -3.151 -7.147 1.00 0.00 C0 ATOM 806 CG ASN A 53 -6.188 -3.136 -5.684 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -5.036 -2.893 -5.306 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -7.165 -3.392 -4.852 1.00 0.00 N0 ATOM 0 H ASN A 53 -5.833 -0.139 -6.897 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.856 -1.960 -7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.615 -3.135 -7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.176 -4.082 -7.590 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.991 -3.396 -3.847 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.101 -3.587 -5.209 1.00 0.00 H new ATOM 815 N LYS A 54 -5.806 -1.095 -10.154 1.00 0.00 N0 ATOM 816 CA LYS A 54 -6.012 -1.096 -11.596 1.00 0.00 C0 ATOM 817 C LYS A 54 -4.727 -1.444 -12.338 1.00 0.00 C0 ATOM 818 O LYS A 54 -4.763 -2.033 -13.417 1.00 0.00 O0 ATOM 819 CB LYS A 54 -6.537 0.263 -12.062 1.00 0.00 C0 ATOM 820 CG LYS A 54 -7.896 0.642 -11.491 1.00 0.00 C0 ATOM 821 CD LYS A 54 -8.972 -0.342 -11.922 1.00 0.00 C0 ATOM 822 CE LYS A 54 -10.345 0.079 -11.420 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -11.399 -0.902 -11.791 1.00 0.00 N1+ ATOM 0 H LYS A 54 -5.389 -0.239 -9.789 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.754 -1.861 -11.826 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.814 1.031 -11.788 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.602 0.260 -13.150 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.840 0.669 -10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.165 1.645 -11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.987 -0.413 -13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.733 -1.335 -11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.317 0.188 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.598 1.056 -11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.318 -0.577 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.444 -0.988 -12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.172 -1.829 -11.377 1.00 0.00 H new ATOM 837 N LEU A 55 -3.594 -1.075 -11.750 1.00 0.00 N0 ATOM 838 CA LEU A 55 -2.294 -1.390 -12.330 1.00 0.00 C0 ATOM 839 C LEU A 55 -1.642 -2.566 -11.613 1.00 0.00 C0 ATOM 840 O LEU A 55 -1.495 -2.556 -10.390 1.00 0.00 O0 ATOM 841 CB LEU A 55 -1.371 -0.166 -12.260 1.00 0.00 C0 ATOM 842 CG LEU A 55 0.036 -0.360 -12.840 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 -0.061 -0.590 -14.342 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 0.887 0.862 -12.527 1.00 0.00 C0 ATOM 0 H LEU A 55 -3.550 -0.557 -10.872 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.451 -1.666 -13.373 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.851 0.659 -12.787 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.276 0.135 -11.217 1.00 0.00 H new ATOM 0 HG LEU A 55 0.508 -1.232 -12.389 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.939 -0.728 -14.754 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.659 -1.480 -14.536 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.532 0.273 -14.813 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.887 0.724 -12.939 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.430 1.747 -12.971 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.954 0.991 -11.447 1.00 0.00 H new ATOM 856 N ASP A 56 -1.254 -3.579 -12.380 1.00 0.00 N0 ATOM 857 CA ASP A 56 -0.576 -4.745 -11.825 1.00 0.00 C0 ATOM 858 C ASP A 56 0.849 -4.406 -11.407 1.00 0.00 C0 ATOM 859 O ASP A 56 1.450 -3.465 -11.921 1.00 0.00 O0 ATOM 860 CB ASP A 56 -0.558 -5.889 -12.841 1.00 0.00 C0 ATOM 861 CG ASP A 56 -1.933 -6.503 -13.066 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 -2.805 -6.272 -12.262 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -2.099 -7.199 -14.039 1.00 0.00 O1- ATOM 0 H ASP A 56 -1.398 -3.616 -13.389 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.130 -5.060 -10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.171 -5.519 -13.790 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.128 -6.663 -12.497 1.00 0.00 H new ATOM 868 N LYS A 57 1.384 -5.181 -10.469 1.00 0.00 N0 ATOM 869 CA LYS A 57 2.757 -4.997 -10.015 1.00 0.00 C0 ATOM 870 C LYS A 57 3.752 -5.511 -11.048 1.00 0.00 C0 ATOM 871 O LYS A 57 4.927 -5.146 -11.027 1.00 0.00 O0 ATOM 872 CB LYS A 57 2.978 -5.701 -8.676 1.00 0.00 C0 ATOM 873 CG LYS A 57 2.147 -5.144 -7.527 1.00 0.00 C0 ATOM 874 CD LYS A 57 2.573 -3.726 -7.175 1.00 0.00 C0 ATOM 875 CE LYS A 57 1.752 -3.173 -6.019 1.00 0.00 C0 ATOM 876 NZ LYS A 57 2.161 -1.788 -5.660 1.00 0.00 N1+ ATOM 0 H LYS A 57 0.887 -5.943 -10.008 1.00 0.00 H new ATOM 0 HA LYS A 57 2.924 -3.928 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.749 -6.760 -8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.033 -5.631 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.092 -5.152 -7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.254 -5.786 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.630 -3.717 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.457 -3.082 -8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.696 -3.181 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.865 -3.822 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.524 -1.417 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.136 -1.797 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.109 -1.181 -6.503 1.00 0.00 H new ATOM 890 N ASP A 58 3.274 -6.361 -11.951 1.00 0.00 N0 ATOM 891 CA ASP A 58 4.098 -6.857 -13.047 1.00 0.00 C0 ATOM 892 C ASP A 58 4.024 -5.932 -14.255 1.00 0.00 C0 ATOM 893 O ASP A 58 4.946 -5.886 -15.070 1.00 0.00 O0 ATOM 894 CB ASP A 58 3.662 -8.268 -13.450 1.00 0.00 C0 ATOM 895 CG ASP A 58 3.949 -9.307 -12.374 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 5.100 -9.519 -12.074 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 3.016 -9.878 -11.863 1.00 0.00 O1- ATOM 0 H ASP A 58 2.320 -6.721 -11.945 1.00 0.00 H new ATOM 0 HA ASP A 58 5.130 -6.886 -12.697 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.594 -8.264 -13.669 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.175 -8.553 -14.369 1.00 0.00 H new ATOM 902 N ASN A 59 2.923 -5.197 -14.364 1.00 0.00 N0 ATOM 903 CA ASN A 59 2.741 -4.247 -15.455 1.00 0.00 C0 ATOM 904 C ASN A 59 3.515 -2.961 -15.201 1.00 0.00 C0 ATOM 905 O ASN A 59 3.039 -2.066 -14.502 1.00 0.00 O0 ATOM 906 CB ASN A 59 1.268 -3.951 -15.665 1.00 0.00 C0 ATOM 907 CG ASN A 59 1.021 -3.051 -16.845 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 1.908 -2.299 -17.263 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -0.167 -3.115 -17.390 1.00 0.00 N0 ATOM 0 H ASN A 59 2.142 -5.241 -13.709 1.00 0.00 H new ATOM 0 HA ASN A 59 3.136 -4.701 -16.364 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.730 -4.888 -15.809 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.863 -3.485 -14.767 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.392 -2.529 -18.194 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.868 -3.751 -17.011 1.00 0.00 H new ATOM 916 N LEU A 60 4.712 -2.873 -15.772 1.00 0.00 N0 ATOM 917 CA LEU A 60 5.560 -1.700 -15.601 1.00 0.00 C0 ATOM 918 C LEU A 60 5.620 -0.872 -16.879 1.00 0.00 C0 ATOM 919 O LEU A 60 6.583 -0.141 -17.111 1.00 0.00 O0 ATOM 920 CB LEU A 60 6.975 -2.123 -15.190 1.00 0.00 C0 ATOM 921 CG LEU A 60 7.075 -2.940 -13.896 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 8.512 -3.408 -13.702 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 6.614 -2.091 -12.722 1.00 0.00 C0 ATOM 0 H LEU A 60 5.117 -3.603 -16.359 1.00 0.00 H new ATOM 0 HA LEU A 60 5.124 -1.085 -14.814 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.410 -2.707 -16.001 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.585 -1.226 -15.080 1.00 0.00 H new ATOM 0 HG LEU A 60 6.432 -3.818 -13.958 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.584 -3.989 -12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.810 -4.028 -14.547 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.171 -2.542 -13.637 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.685 -2.672 -11.803 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.246 -1.207 -12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.580 -1.785 -12.878 1.00 0.00 H new ATOM 935 N SER A 61 4.587 -0.993 -17.705 1.00 0.00 N0 ATOM 936 CA SER A 61 4.587 -0.377 -19.027 1.00 0.00 C0 ATOM 937 C SER A 61 4.518 1.141 -18.927 1.00 0.00 C0 ATOM 938 O SER A 61 4.837 1.850 -19.882 1.00 0.00 O0 ATOM 939 CB SER A 61 3.419 -0.894 -19.843 1.00 0.00 C0 ATOM 940 OG SER A 61 2.199 -0.477 -19.294 1.00 0.00 O0 ATOM 0 H SER A 61 3.738 -1.513 -17.482 1.00 0.00 H new ATOM 0 HA SER A 61 5.520 -0.644 -19.523 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.501 -0.536 -20.869 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.451 -1.983 -19.881 1.00 0.00 H new ATOM 0 HG SER A 61 1.996 -1.015 -18.501 1.00 0.00 H new ATOM 946 N TYR A 62 4.098 1.635 -17.768 1.00 0.00 N0 ATOM 947 CA TYR A 62 4.001 3.070 -17.537 1.00 0.00 C0 ATOM 948 C TYR A 62 5.184 3.580 -16.724 1.00 0.00 C0 ATOM 949 O TYR A 62 5.733 4.645 -17.010 1.00 0.00 O0 ATOM 950 CB TYR A 62 2.686 3.411 -16.830 1.00 0.00 C0 ATOM 951 CG TYR A 62 1.453 3.023 -17.615 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 0.623 2.013 -17.148 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 1.151 3.675 -18.801 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 -0.504 1.658 -17.865 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 0.025 3.320 -19.517 1.00 0.00 C0 ATOM 956 CZ TYR A 62 -0.801 2.317 -19.053 1.00 0.00 C0 ATOM 957 OH TYR A 62 -1.923 1.964 -19.767 1.00 0.00 O0 ATOM 0 H TYR A 62 3.819 1.061 -16.973 1.00 0.00 H new ATOM 0 HA TYR A 62 4.019 3.566 -18.507 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.663 2.908 -15.863 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.658 4.483 -16.633 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.858 1.505 -16.225 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.797 4.461 -19.165 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.151 0.872 -17.504 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.209 3.828 -20.441 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.987 2.520 -20.571 1.00 0.00 H new ATOM 967 N ILE A 63 5.574 2.814 -15.711 1.00 0.00 N0 ATOM 968 CA ILE A 63 6.637 3.227 -14.803 1.00 0.00 C0 ATOM 969 C ILE A 63 7.986 3.252 -15.510 1.00 0.00 C0 ATOM 970 O ILE A 63 8.710 4.245 -15.452 1.00 0.00 O0 ATOM 971 CB ILE A 63 6.712 2.291 -13.584 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 5.460 2.441 -12.717 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 7.965 2.577 -12.769 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 5.322 1.377 -11.652 1.00 0.00 C0 ATOM 0 H ILE A 63 5.169 1.902 -15.498 1.00 0.00 H new ATOM 0 HA ILE A 63 6.401 4.235 -14.463 1.00 0.00 H new ATOM 0 HB ILE A 63 6.762 1.262 -13.941 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.476 3.420 -12.239 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.580 2.415 -13.359 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.002 1.906 -11.911 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.847 2.420 -13.390 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.945 3.610 -12.421 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.411 1.551 -11.079 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.272 0.395 -12.123 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.183 1.416 -10.985 1.00 0.00 H new ATOM 986 N GLU A 64 8.319 2.151 -16.177 1.00 0.00 N0 ATOM 987 CA GLU A 64 9.583 2.043 -16.895 1.00 0.00 C0 ATOM 988 C GLU A 64 9.617 2.983 -18.094 1.00 0.00 C0 ATOM 989 O GLU A 64 10.676 3.485 -18.471 1.00 0.00 O0 ATOM 990 CB GLU A 64 9.813 0.602 -17.356 1.00 0.00 C0 ATOM 991 CG GLU A 64 10.147 -0.371 -16.235 1.00 0.00 C0 ATOM 992 CD GLU A 64 10.343 -1.779 -16.723 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 9.984 -2.057 -17.841 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 10.854 -2.580 -15.975 1.00 0.00 O1- ATOM 0 H GLU A 64 7.730 1.320 -16.235 1.00 0.00 H new ATOM 0 HA GLU A 64 10.381 2.331 -16.211 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.919 0.251 -17.871 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.624 0.591 -18.084 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.053 -0.038 -15.729 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.345 -0.356 -15.496 1.00 0.00 H new ATOM 1001 N HIS A 65 8.453 3.215 -18.690 1.00 0.00 N0 ATOM 1002 CA HIS A 65 8.345 4.109 -19.837 1.00 0.00 C0 ATOM 1003 C HIS A 65 8.805 5.517 -19.485 1.00 0.00 C0 ATOM 1004 O HIS A 65 9.620 6.110 -20.192 1.00 0.00 O0 ATOM 1005 CB HIS A 65 6.904 4.150 -20.356 1.00 0.00 C0 ATOM 1006 CG HIS A 65 6.704 5.097 -21.500 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 7.173 4.837 -22.770 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 6.088 6.300 -21.564 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 6.851 5.842 -23.568 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 6.194 6.741 -22.860 1.00 0.00 N0 ATOM 0 H HIS A 65 7.570 2.796 -18.398 1.00 0.00 H new ATOM 0 HA HIS A 65 8.996 3.719 -20.620 1.00 0.00 H new ATOM 0 HB2 HIS A 65 6.611 3.148 -20.670 1.00 0.00 H new ATOM 0 HB3 HIS A 65 6.241 4.435 -19.539 1.00 0.00 H new ATOM 0 HD2 HIS A 65 5.604 6.817 -20.749 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.086 5.914 -24.620 1.00 0.00 H new ATOM 0 HE2 HIS A 65 5.824 7.622 -23.218 1.00 0.00 H new ATOM 1018 N ILE A 66 8.277 6.048 -18.387 1.00 0.00 N0 ATOM 1019 CA ILE A 66 8.610 7.401 -17.954 1.00 0.00 C0 ATOM 1020 C ILE A 66 10.079 7.508 -17.565 1.00 0.00 C0 ATOM 1021 O ILE A 66 10.739 8.505 -17.862 1.00 0.00 O0 ATOM 1022 CB ILE A 66 7.731 7.829 -16.765 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 6.263 7.909 -17.189 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 8.202 9.164 -16.209 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 6.002 8.890 -18.309 1.00 0.00 C0 ATOM 0 H ILE A 66 7.616 5.562 -17.780 1.00 0.00 H new ATOM 0 HA ILE A 66 8.420 8.067 -18.795 1.00 0.00 H new ATOM 0 HB ILE A 66 7.821 7.079 -15.979 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.931 6.919 -17.501 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.660 8.190 -16.325 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.570 9.452 -15.369 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.235 9.074 -15.872 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.140 9.925 -16.987 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.940 8.890 -18.553 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.302 9.890 -17.994 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.576 8.599 -19.189 1.00 0.00 H new ATOM 1037 N PHE A 67 10.587 6.477 -16.899 1.00 0.00 N0 ATOM 1038 CA PHE A 67 11.982 6.450 -16.476 1.00 0.00 C0 ATOM 1039 C PHE A 67 12.913 6.228 -17.661 1.00 0.00 C0 ATOM 1040 O PHE A 67 14.067 6.657 -17.646 1.00 0.00 O0 ATOM 1041 CB PHE A 67 12.203 5.351 -15.434 1.00 0.00 C0 ATOM 1042 CG PHE A 67 11.750 5.728 -14.052 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 11.386 4.751 -13.137 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 11.686 7.057 -13.665 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 10.967 5.096 -11.865 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 11.271 7.404 -12.394 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 10.910 6.421 -11.493 1.00 0.00 C0 ATOM 0 H PHE A 67 10.053 5.648 -16.640 1.00 0.00 H new ATOM 0 HA PHE A 67 12.213 7.419 -16.032 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.672 4.453 -15.748 1.00 0.00 H new ATOM 0 HB3 PHE A 67 13.263 5.100 -15.403 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.430 3.710 -13.421 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.964 7.831 -14.365 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.684 4.326 -11.163 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.229 8.444 -12.105 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.584 6.691 -10.499 1.00 0.00 H new ATOM 1057 N GLU A 68 12.405 5.554 -18.687 1.00 0.00 N0 ATOM 1058 CA GLU A 68 13.139 5.394 -19.937 1.00 0.00 C0 ATOM 1059 C GLU A 68 13.270 6.723 -20.672 1.00 0.00 C0 ATOM 1060 O GLU A 68 14.302 7.009 -21.277 1.00 0.00 O0 ATOM 1061 CB GLU A 68 12.445 4.370 -20.836 1.00 0.00 C0 ATOM 1062 CG GLU A 68 13.149 4.116 -22.162 1.00 0.00 C0 ATOM 1063 CD GLU A 68 14.520 3.521 -21.991 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 14.774 2.949 -20.958 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 15.313 3.638 -22.895 1.00 0.00 O1- ATOM 0 H GLU A 68 11.487 5.109 -18.678 1.00 0.00 H new ATOM 0 HA GLU A 68 14.139 5.036 -19.693 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.363 3.427 -20.296 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.429 4.711 -21.037 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.540 3.445 -22.768 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.231 5.055 -22.710 1.00 0.00 H new ATOM 1072 N ILE A 69 12.216 7.530 -20.615 1.00 0.00 N0 ATOM 1073 CA ILE A 69 12.264 8.890 -21.142 1.00 0.00 C0 ATOM 1074 C ILE A 69 13.302 9.728 -20.409 1.00 0.00 C0 ATOM 1075 O ILE A 69 14.078 10.456 -21.029 1.00 0.00 O0 ATOM 1076 CB ILE A 69 10.886 9.568 -21.036 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 9.887 8.901 -21.984 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 11.000 11.054 -21.338 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 8.451 9.302 -21.740 1.00 0.00 C0 ATOM 0 H ILE A 69 11.318 7.266 -20.209 1.00 0.00 H new ATOM 0 HA ILE A 69 12.548 8.822 -22.192 1.00 0.00 H new ATOM 0 HB ILE A 69 10.521 9.452 -20.016 1.00 0.00 H new ATOM 0 HG12 ILE A 69 10.154 9.150 -23.011 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.974 7.819 -21.885 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.017 11.518 -21.259 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.680 11.519 -20.624 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.386 11.191 -22.348 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.804 8.788 -22.451 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.164 9.028 -20.725 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.347 10.379 -21.868 1.00 0.00 H new ATOM 1091 N SER A 70 13.312 9.623 -19.084 1.00 0.00 N0 ATOM 1092 CA SER A 70 14.290 10.331 -18.267 1.00 0.00 C0 ATOM 1093 C SER A 70 15.676 9.716 -18.408 1.00 0.00 C0 ATOM 1094 O SER A 70 16.682 10.346 -18.080 1.00 0.00 O0 ATOM 1095 CB SER A 70 13.865 10.313 -16.811 1.00 0.00 C0 ATOM 1096 OG SER A 70 13.983 9.026 -16.270 1.00 0.00 O0 ATOM 0 H SER A 70 12.653 9.054 -18.553 1.00 0.00 H new ATOM 0 HA SER A 70 14.337 11.362 -18.618 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.480 11.009 -16.240 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.833 10.654 -16.725 1.00 0.00 H new ATOM 0 HG SER A 70 13.970 8.365 -16.993 1.00 0.00 H new ATOM 1102 N ARG A 71 15.722 8.482 -18.898 1.00 0.00 N0 ATOM 1103 CA ARG A 71 16.989 7.797 -19.131 1.00 0.00 C0 ATOM 1104 C ARG A 71 17.760 7.608 -17.831 1.00 0.00 C0 ATOM 1105 O ARG A 71 18.893 8.068 -17.698 1.00 0.00 O0 ATOM 1106 CB ARG A 71 17.846 8.578 -20.117 1.00 0.00 C0 ATOM 1107 CG ARG A 71 17.232 8.758 -21.496 1.00 0.00 C0 ATOM 1108 CD ARG A 71 18.157 9.461 -22.421 1.00 0.00 C0 ATOM 1109 NE ARG A 71 17.576 9.633 -23.743 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 18.166 10.293 -24.759 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 19.351 10.834 -24.589 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 17.554 10.394 -25.926 1.00 0.00 N0 ATOM 0 H ARG A 71 14.896 7.935 -19.142 1.00 0.00 H new ATOM 0 HA ARG A 71 16.760 6.816 -19.548 1.00 0.00 H new ATOM 0 HB2 ARG A 71 18.053 9.562 -19.696 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.804 8.070 -20.225 1.00 0.00 H new ATOM 0 HG2 ARG A 71 16.975 7.783 -21.910 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.304 9.323 -21.410 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.412 10.437 -22.007 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.086 8.897 -22.503 1.00 0.00 H new ATOM 0 HE ARG A 71 16.657 9.225 -23.913 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.824 10.754 -23.689 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.798 11.334 -25.357 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.635 9.972 -26.058 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.001 10.894 -26.695 1.00 0.00 H new ATOM 1126 N ARG A 72 17.138 6.927 -16.875 1.00 0.00 N0 ATOM 1127 CA ARG A 72 17.773 6.656 -15.591 1.00 0.00 C0 ATOM 1128 C ARG A 72 17.733 5.169 -15.259 1.00 0.00 C0 ATOM 1129 O ARG A 72 16.812 4.697 -14.593 1.00 0.00 O0 ATOM 1130 CB ARG A 72 17.090 7.439 -14.480 1.00 0.00 C0 ATOM 1131 CG ARG A 72 17.215 8.950 -14.593 1.00 0.00 C0 ATOM 1132 CD ARG A 72 18.607 9.406 -14.351 1.00 0.00 C0 ATOM 1133 NE ARG A 72 18.724 10.853 -14.418 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 18.981 11.549 -15.544 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 19.146 10.916 -16.683 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 19.067 12.867 -15.501 1.00 0.00 N0 ATOM 0 H ARG A 72 16.194 6.552 -16.965 1.00 0.00 H new ATOM 0 HA ARG A 72 18.814 6.970 -15.668 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.032 7.176 -14.467 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.508 7.125 -13.524 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.895 9.268 -15.585 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.547 9.425 -13.875 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.937 9.060 -13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.270 8.954 -15.088 1.00 0.00 H new ATOM 0 HE ARG A 72 18.603 11.379 -13.553 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.080 9.899 -16.715 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.340 11.442 -17.535 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.939 13.358 -14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.261 13.393 -16.353 1.00 0.00 H new ATOM 1150 N PRO A 73 18.738 4.436 -15.727 1.00 0.00 N0 ATOM 1151 CA PRO A 73 18.839 3.009 -15.449 1.00 0.00 C0 ATOM 1152 C PRO A 73 18.816 2.736 -13.951 1.00 0.00 C0 ATOM 1153 O PRO A 73 18.314 1.703 -13.506 1.00 0.00 O0 ATOM 1154 CB PRO A 73 20.187 2.631 -16.072 1.00 0.00 C0 ATOM 1155 CG PRO A 73 20.379 3.629 -17.161 1.00 0.00 C0 ATOM 1156 CD PRO A 73 19.830 4.912 -16.595 1.00 0.00 C0 ATOM 0 HA PRO A 73 18.008 2.431 -15.853 1.00 0.00 H new ATOM 0 HB2 PRO A 73 20.992 2.681 -15.339 1.00 0.00 H new ATOM 0 HB3 PRO A 73 20.174 1.613 -16.462 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.431 3.730 -17.426 1.00 0.00 H new ATOM 0 HG3 PRO A 73 19.849 3.335 -18.067 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.584 5.463 -16.033 1.00 0.00 H new ATOM 0 HD3 PRO A 73 19.466 5.578 -17.377 1.00 0.00 H new ATOM 1164 N ASP A 74 19.360 3.668 -13.176 1.00 0.00 N0 ATOM 1165 CA ASP A 74 19.387 3.538 -11.725 1.00 0.00 C0 ATOM 1166 C ASP A 74 17.978 3.446 -11.153 1.00 0.00 C0 ATOM 1167 O ASP A 74 17.703 2.620 -10.282 1.00 0.00 O0 ATOM 1168 CB ASP A 74 20.124 4.722 -11.093 1.00 0.00 C0 ATOM 1169 CG ASP A 74 21.626 4.685 -11.340 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 22.121 3.649 -11.720 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 22.265 5.691 -11.146 1.00 0.00 O1- ATOM 0 H ASP A 74 19.789 4.523 -13.530 1.00 0.00 H new ATOM 0 HA ASP A 74 19.918 2.616 -11.486 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.718 5.651 -11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.937 4.728 -10.019 1.00 0.00 H new ATOM 1176 N LEU A 75 17.088 4.298 -11.649 1.00 0.00 N0 ATOM 1177 CA LEU A 75 15.699 4.300 -11.203 1.00 0.00 C0 ATOM 1178 C LEU A 75 14.948 3.087 -11.736 1.00 0.00 C0 ATOM 1179 O LEU A 75 14.081 2.535 -11.057 1.00 0.00 O0 ATOM 1180 CB LEU A 75 14.998 5.586 -11.661 1.00 0.00 C0 ATOM 1181 CG LEU A 75 15.502 6.884 -11.019 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 14.775 8.072 -11.635 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 15.280 6.827 -9.515 1.00 0.00 C0 ATOM 0 H LEU A 75 17.303 4.997 -12.360 1.00 0.00 H new ATOM 0 HA LEU A 75 15.696 4.254 -10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.106 5.671 -12.742 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.932 5.490 -11.454 1.00 0.00 H new ATOM 0 HG LEU A 75 16.570 7.001 -11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.133 8.995 -11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.967 8.100 -12.708 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.704 7.973 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.638 7.750 -9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.216 6.710 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.826 5.981 -9.098 1.00 0.00 H new ATOM 1195 N LEU A 76 15.283 2.677 -12.954 1.00 0.00 N0 ATOM 1196 CA LEU A 76 14.718 1.467 -13.537 1.00 0.00 C0 ATOM 1197 C LEU A 76 15.100 0.234 -12.729 1.00 0.00 C0 ATOM 1198 O LEU A 76 14.295 -0.682 -12.558 1.00 0.00 O0 ATOM 1199 CB LEU A 76 15.195 1.305 -14.987 1.00 0.00 C0 ATOM 1200 CG LEU A 76 14.628 2.315 -15.990 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 15.343 2.161 -17.327 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 13.131 2.095 -16.144 1.00 0.00 C0 ATOM 0 H LEU A 76 15.944 3.166 -13.557 1.00 0.00 H new ATOM 0 HA LEU A 76 13.632 1.564 -13.521 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.283 1.377 -15.002 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.937 0.301 -15.325 1.00 0.00 H new ATOM 0 HG LEU A 76 14.791 3.330 -15.627 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.939 2.880 -18.040 1.00 0.00 H new ATOM 0 HD12 LEU A 76 16.409 2.343 -17.192 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.192 1.150 -17.706 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.729 2.814 -16.858 1.00 0.00 H new ATOM 0 HD22 LEU A 76 12.947 1.083 -16.506 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.642 2.230 -15.179 1.00 0.00 H new ATOM 1214 N THR A 77 16.332 0.217 -12.233 1.00 0.00 N0 ATOM 1215 CA THR A 77 16.800 -0.870 -11.382 1.00 0.00 C0 ATOM 1216 C THR A 77 15.996 -0.943 -10.090 1.00 0.00 C0 ATOM 1217 O THR A 77 15.632 -2.027 -9.635 1.00 0.00 O0 ATOM 1218 CB THR A 77 18.297 -0.711 -11.052 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 19.061 -0.745 -12.263 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 18.761 -1.829 -10.133 1.00 0.00 C0 ATOM 0 H THR A 77 17.025 0.945 -12.406 1.00 0.00 H new ATOM 0 HA THR A 77 16.658 -1.798 -11.936 1.00 0.00 H new ATOM 0 HB THR A 77 18.444 0.244 -10.548 1.00 0.00 H new ATOM 0 HG1 THR A 77 18.881 0.064 -12.786 1.00 0.00 H new ATOM 0 HG21 THR A 77 19.820 -1.701 -9.910 1.00 0.00 H new ATOM 0 HG22 THR A 77 18.189 -1.799 -9.206 1.00 0.00 H new ATOM 0 HG23 THR A 77 18.607 -2.790 -10.623 1.00 0.00 H new ATOM 1228 N MET A 78 15.724 0.217 -9.502 1.00 0.00 N0 ATOM 1229 CA MET A 78 14.913 0.291 -8.293 1.00 0.00 C0 ATOM 1230 C MET A 78 13.517 -0.272 -8.530 1.00 0.00 C0 ATOM 1231 O MET A 78 12.968 -0.974 -7.680 1.00 0.00 O0 ATOM 1232 CB MET A 78 14.828 1.735 -7.802 1.00 0.00 C0 ATOM 1233 CG MET A 78 16.131 2.285 -7.238 1.00 0.00 C0 ATOM 1234 SD MET A 78 16.031 4.044 -6.845 1.00 0.00 S0 ATOM 1235 CE MET A 78 14.866 4.020 -5.486 1.00 0.00 C0 ATOM 0 H MET A 78 16.054 1.120 -9.844 1.00 0.00 H new ATOM 0 HA MET A 78 15.393 -0.316 -7.526 1.00 0.00 H new ATOM 0 HB2 MET A 78 14.508 2.369 -8.629 1.00 0.00 H new ATOM 0 HB3 MET A 78 14.058 1.800 -7.034 1.00 0.00 H new ATOM 0 HG2 MET A 78 16.396 1.730 -6.338 1.00 0.00 H new ATOM 0 HG3 MET A 78 16.932 2.123 -7.959 1.00 0.00 H new ATOM 0 HE1 MET A 78 15.254 4.622 -4.664 1.00 0.00 H new ATOM 0 HE2 MET A 78 13.912 4.430 -5.817 1.00 0.00 H new ATOM 0 HE3 MET A 78 14.722 2.994 -5.148 1.00 0.00 H new ATOM 1245 N VAL A 79 12.949 0.040 -9.689 1.00 0.00 N0 ATOM 1246 CA VAL A 79 11.633 -0.470 -10.059 1.00 0.00 C0 ATOM 1247 C VAL A 79 11.636 -1.992 -10.141 1.00 0.00 C0 ATOM 1248 O VAL A 79 10.736 -2.652 -9.623 1.00 0.00 O0 ATOM 1249 CB VAL A 79 11.195 0.114 -11.415 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 9.938 -0.583 -11.914 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 10.965 1.612 -11.284 1.00 0.00 C0 ATOM 0 H VAL A 79 13.379 0.644 -10.389 1.00 0.00 H new ATOM 0 HA VAL A 79 10.929 -0.163 -9.285 1.00 0.00 H new ATOM 0 HB VAL A 79 11.987 -0.054 -12.145 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.643 -0.158 -12.873 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.136 -1.648 -12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.133 -0.443 -11.192 1.00 0.00 H new ATOM 0 HG21 VAL A 79 10.655 2.018 -12.247 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.186 1.797 -10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.889 2.096 -10.966 1.00 0.00 H new ATOM 1261 N VAL A 80 12.653 -2.541 -10.797 1.00 0.00 N0 ATOM 1262 CA VAL A 80 12.799 -3.988 -10.911 1.00 0.00 C0 ATOM 1263 C VAL A 80 12.977 -4.632 -9.542 1.00 0.00 C0 ATOM 1264 O VAL A 80 12.393 -5.677 -9.257 1.00 0.00 O0 ATOM 1265 CB VAL A 80 14.008 -4.334 -11.800 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 14.303 -5.825 -11.738 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 13.739 -3.897 -13.232 1.00 0.00 C0 ATOM 0 H VAL A 80 13.389 -2.006 -11.258 1.00 0.00 H new ATOM 0 HA VAL A 80 11.888 -4.379 -11.365 1.00 0.00 H new ATOM 0 HB VAL A 80 14.884 -3.800 -11.431 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.160 -6.053 -12.372 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.526 -6.109 -10.710 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.434 -6.383 -12.088 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.598 -4.145 -13.855 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.856 -4.412 -13.610 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.570 -2.821 -13.258 1.00 0.00 H new ATOM 1277 N ASP A 81 13.788 -4.002 -8.698 1.00 0.00 N0 ATOM 1278 CA ASP A 81 14.002 -4.483 -7.338 1.00 0.00 C0 ATOM 1279 C ASP A 81 12.693 -4.539 -6.561 1.00 0.00 C0 ATOM 1280 O ASP A 81 12.404 -5.526 -5.885 1.00 0.00 O0 ATOM 1281 CB ASP A 81 15.001 -3.587 -6.603 1.00 0.00 C0 ATOM 1282 CG ASP A 81 15.380 -4.124 -5.230 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 16.005 -5.157 -5.168 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 15.042 -3.497 -4.255 1.00 0.00 O1- ATOM 0 H ASP A 81 14.308 -3.156 -8.932 1.00 0.00 H new ATOM 0 HA ASP A 81 14.408 -5.492 -7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.902 -3.483 -7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 81 14.574 -2.590 -6.493 1.00 0.00 H new ATOM 1289 N TYR A 82 11.906 -3.475 -6.662 1.00 0.00 N0 ATOM 1290 CA TYR A 82 10.604 -3.419 -6.005 1.00 0.00 C0 ATOM 1291 C TYR A 82 9.711 -4.569 -6.455 1.00 0.00 C0 ATOM 1292 O TYR A 82 9.175 -5.308 -5.631 1.00 0.00 O0 ATOM 1293 CB TYR A 82 9.921 -2.078 -6.283 1.00 0.00 C0 ATOM 1294 CG TYR A 82 8.508 -1.992 -5.753 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 8.285 -1.812 -4.396 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 7.433 -2.093 -6.624 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 6.995 -1.733 -3.911 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 6.142 -2.013 -6.140 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 5.921 -1.835 -4.789 1.00 0.00 C0 ATOM 1300 OH TYR A 82 4.635 -1.757 -4.306 1.00 0.00 O0 ATOM 0 H TYR A 82 12.146 -2.638 -7.193 1.00 0.00 H new ATOM 0 HA TYR A 82 10.766 -3.515 -4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.515 -1.279 -5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.907 -1.904 -7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.122 -1.734 -3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.606 -2.234 -7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.820 -1.593 -2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.305 -2.090 -6.819 1.00 0.00 H new ATOM 0 HH TYR A 82 4.619 -1.188 -3.508 1.00 0.00 H new ATOM 1310 N ARG A 83 9.558 -4.715 -7.766 1.00 0.00 N0 ATOM 1311 CA ARG A 83 8.746 -5.787 -8.328 1.00 0.00 C0 ATOM 1312 C ARG A 83 9.197 -7.148 -7.813 1.00 0.00 C0 ATOM 1313 O ARG A 83 8.377 -7.976 -7.417 1.00 0.00 O0 ATOM 1314 CB ARG A 83 8.818 -5.774 -9.848 1.00 0.00 C0 ATOM 1315 CG ARG A 83 8.009 -6.862 -10.536 1.00 0.00 C0 ATOM 1316 CD ARG A 83 8.162 -6.809 -12.013 1.00 0.00 C0 ATOM 1317 NE ARG A 83 7.465 -7.902 -12.670 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 7.664 -8.277 -13.949 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 8.538 -7.639 -14.693 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 6.978 -9.287 -14.455 1.00 0.00 N0 ATOM 0 H ARG A 83 9.987 -4.103 -8.461 1.00 0.00 H new ATOM 0 HA ARG A 83 7.716 -5.616 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.473 -4.804 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.861 -5.872 -10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.328 -7.838 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.956 -6.753 -10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.778 -5.859 -12.384 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.221 -6.847 -12.270 1.00 0.00 H new ATOM 0 HE ARG A 83 6.777 -8.422 -12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.067 -6.859 -14.303 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.688 -7.924 -15.661 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.298 -9.782 -13.878 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.128 -9.571 -15.423 1.00 0.00 H new ATOM 1334 N THR A 84 10.507 -7.373 -7.821 1.00 0.00 N0 ATOM 1335 CA THR A 84 11.070 -8.636 -7.359 1.00 0.00 C0 ATOM 1336 C THR A 84 10.693 -8.907 -5.908 1.00 0.00 C0 ATOM 1337 O THR A 84 10.312 -10.023 -5.554 1.00 0.00 O0 ATOM 1338 CB THR A 84 12.603 -8.645 -7.506 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 12.954 -8.493 -8.887 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 13.180 -9.951 -6.980 1.00 0.00 C0 ATOM 0 H THR A 84 11.199 -6.696 -8.143 1.00 0.00 H new ATOM 0 HA THR A 84 10.652 -9.425 -7.984 1.00 0.00 H new ATOM 0 HB THR A 84 13.014 -7.818 -6.927 1.00 0.00 H new ATOM 0 HG1 THR A 84 12.809 -7.563 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 84 14.264 -9.941 -7.091 1.00 0.00 H new ATOM 0 HG22 THR A 84 12.925 -10.063 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 84 12.765 -10.786 -7.545 1.00 0.00 H new ATOM 1348 N ARG A 85 10.803 -7.881 -5.071 1.00 0.00 N0 ATOM 1349 CA ARG A 85 10.466 -8.005 -3.658 1.00 0.00 C0 ATOM 1350 C ARG A 85 8.989 -8.331 -3.471 1.00 0.00 C0 ATOM 1351 O ARG A 85 8.625 -9.134 -2.612 1.00 0.00 O0 ATOM 1352 CB ARG A 85 10.797 -6.720 -2.914 1.00 0.00 C0 ATOM 1353 CG ARG A 85 12.282 -6.445 -2.743 1.00 0.00 C0 ATOM 1354 CD ARG A 85 12.526 -5.136 -2.083 1.00 0.00 C0 ATOM 1355 NE ARG A 85 13.942 -4.810 -2.033 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 14.787 -5.220 -1.068 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 14.346 -5.970 -0.083 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 16.060 -4.868 -1.111 1.00 0.00 N0 ATOM 0 H ARG A 85 11.123 -6.953 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 85 11.060 -8.822 -3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.346 -5.882 -3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.333 -6.758 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.734 -7.241 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.769 -6.457 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.992 -4.353 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.123 -5.159 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 85 14.322 -4.230 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.363 -6.242 -0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.986 -6.280 0.648 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.403 -4.286 -1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.700 -5.179 -0.380 1.00 0.00 H new ATOM 1372 N VAL A 86 8.143 -7.703 -4.281 1.00 0.00 N0 ATOM 1373 CA VAL A 86 6.713 -7.989 -4.265 1.00 0.00 C0 ATOM 1374 C VAL A 86 6.436 -9.435 -4.653 1.00 0.00 C0 ATOM 1375 O VAL A 86 5.575 -10.091 -4.067 1.00 0.00 O0 ATOM 1376 CB VAL A 86 5.970 -7.049 -5.233 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 4.525 -7.495 -5.405 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 6.035 -5.619 -4.719 1.00 0.00 C0 ATOM 0 H VAL A 86 8.423 -6.992 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 86 6.354 -7.826 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 86 6.455 -7.091 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.015 -6.820 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.502 -8.508 -5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.021 -7.478 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.507 -4.960 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.568 -5.564 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.077 -5.306 -4.644 1.00 0.00 H new ATOM 1388 N LEU A 87 7.170 -9.928 -5.645 1.00 0.00 N0 ATOM 1389 CA LEU A 87 7.036 -11.311 -6.083 1.00 0.00 C0 ATOM 1390 C LEU A 87 7.473 -12.280 -4.992 1.00 0.00 C0 ATOM 1391 O LEU A 87 6.909 -13.365 -4.850 1.00 0.00 O0 ATOM 1392 CB LEU A 87 7.869 -11.549 -7.349 1.00 0.00 C0 ATOM 1393 CG LEU A 87 7.371 -10.842 -8.616 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 8.397 -11.008 -9.728 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 6.024 -11.420 -9.024 1.00 0.00 C0 ATOM 0 H LEU A 87 7.865 -9.388 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 87 5.984 -11.491 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.892 -11.228 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.903 -12.621 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 87 7.244 -9.777 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.043 -10.505 -10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.345 -10.569 -9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.539 -12.068 -9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.670 -10.918 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.131 -12.487 -9.222 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.305 -11.270 -8.219 1.00 0.00 H new ATOM 1407 N LYS A 88 8.479 -11.881 -4.222 1.00 0.00 N0 ATOM 1408 CA LYS A 88 8.950 -12.685 -3.099 1.00 0.00 C0 ATOM 1409 C LYS A 88 7.893 -12.778 -2.007 1.00 0.00 C0 ATOM 1410 O LYS A 88 7.742 -13.816 -1.364 1.00 0.00 O0 ATOM 1411 CB LYS A 88 10.245 -12.103 -2.530 1.00 0.00 C0 ATOM 1412 CG LYS A 88 11.468 -12.304 -3.416 1.00 0.00 C0 ATOM 1413 CD LYS A 88 12.712 -11.694 -2.787 1.00 0.00 C0 ATOM 1414 CE LYS A 88 13.949 -11.966 -3.630 1.00 0.00 C0 ATOM 1415 NZ LYS A 88 15.174 -11.369 -3.030 1.00 0.00 N1+ ATOM 0 H LYS A 88 8.985 -11.005 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 88 9.147 -13.691 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.106 -11.035 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.437 -12.557 -1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.627 -13.369 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.292 -11.851 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.575 -10.618 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.854 -12.103 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.085 -13.042 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.802 -11.562 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.994 -11.577 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.055 -10.339 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.330 -11.773 -2.085 1.00 0.00 H new ATOM 1429 N ILE A 89 7.164 -11.686 -1.802 1.00 0.00 N0 ATOM 1430 CA ILE A 89 6.094 -11.655 -0.811 1.00 0.00 C0 ATOM 1431 C ILE A 89 4.941 -12.564 -1.217 1.00 0.00 C0 ATOM 1432 O ILE A 89 4.352 -12.397 -2.284 1.00 0.00 O0 ATOM 1433 CB ILE A 89 5.572 -10.220 -0.612 1.00 0.00 C0 ATOM 1434 CG1 ILE A 89 6.672 -9.328 -0.030 1.00 0.00 C0 ATOM 1435 CG2 ILE A 89 4.349 -10.220 0.291 1.00 0.00 C0 ATOM 1436 CD1 ILE A 89 6.343 -7.853 -0.065 1.00 0.00 C0 ATOM 0 H ILE A 89 7.295 -10.811 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 89 6.511 -12.016 0.129 1.00 0.00 H new ATOM 0 HB ILE A 89 5.281 -9.819 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.859 -9.625 1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.596 -9.498 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.993 -9.198 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.562 -10.823 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.614 -10.638 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.169 -7.286 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.185 -7.540 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.437 -7.668 0.513 1.00 0.00 H new ATOM 1448 N SER A 90 4.623 -13.527 -0.358 1.00 0.00 N0 ATOM 1449 CA SER A 90 3.541 -14.466 -0.626 1.00 0.00 C0 ATOM 1450 C SER A 90 3.076 -15.151 0.653 1.00 0.00 C0 ATOM 1451 O SER A 90 2.331 -14.582 1.402 1.00 0.00 O0 ATOM 1452 CB SER A 90 3.992 -15.507 -1.633 1.00 0.00 C0 ATOM 1453 OG SER A 90 2.975 -16.440 -1.878 1.00 0.00 O0 ATOM 0 H SER A 90 5.100 -13.677 0.531 1.00 0.00 H new ATOM 0 HA SER A 90 2.702 -13.904 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.275 -15.018 -2.565 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.879 -16.019 -1.260 1.00 0.00 H new ATOM 0 HG SER A 90 3.287 -17.100 -2.531 1.00 0.00 H new TER 1459 SER A 90