USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 SER OG : rot 180:sc= 1.03 USER MOD Set 1.2: A 80 THR OG1 : rot -84:sc= 1.46 USER MOD Set 2.1: A 65 SER OG : rot -140:sc= 0.261 USER MOD Set 2.2: A 91 GLN : amide:sc= -0.817 K(o=-0.56,f=-5!) USER MOD Set 3.1: A 51 LYS NZ :NH3+ -160:sc= -1.61! (180deg=-2.81!) USER MOD Set 3.2: A 53 SER OG : rot 159:sc= 0.0797 USER MOD Set 3.3: A 99 SER OG : rot 70:sc= 1.22 USER MOD Set 3.4: A 102 GLN : amide:sc= 1.07 K(o=0.77,f=-7!) USER MOD Set 4.1: A 21 HIS : no HD1:sc= -0.0494 X(o=0.78,f=0.87) USER MOD Set 4.2: A 28 GLN : amide:sc= 0.825 K(o=0.78,f=0.053) USER MOD Set 5.1: A 9 TYR OH : rot -155:sc= 1.24 USER MOD Set 5.2: A 13 LYS NZ :NH3+ -176:sc= 0.869 (180deg=0.738) USER MOD Set 5.3: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 2 THR OG1 : rot -69:sc= 1.02 USER MOD Set 6.2: A 4 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.275 (180deg=-0.784) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.24 (180deg=1.1) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 68:sc= 1.07 USER MOD Single : A 11 MET CE :methyl 155:sc= -1.98! (180deg=-3.37!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.41 (180deg=1.2) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -125:sc= 0.129 (180deg=-0.352) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.183 F(o=-1!,f=-0.18) USER MOD Single : A 52 THR OG1 : rot 90:sc= 0.0371 USER MOD Single : A 62 GLN : amide:sc= 0.876 K(o=0.88,f=-0.92) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc=-0.00292 X(o=-0.0029,f=-0.0049) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.377 K(o=-0.38,f=-6.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -165:sc= 0.335 USER MOD Single : A 86 SER OG : rot 25:sc= 0.308 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 150:sc= -0.0795 USER MOD Single : A 100 TYR OH : rot 36:sc= 1.16 USER MOD Single : A 101 GLN : amide:sc= 0.0986 X(o=0.099,f=-0.09) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 2.43 (180deg=2.12) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.522 F(o=-4.1!,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.459 -11.411 8.738 1.00 0.00 N ATOM 2 CA MET A 1 -1.817 -10.818 8.780 1.00 0.00 C ATOM 3 C MET A 1 -2.597 -11.171 7.523 1.00 0.00 C ATOM 4 O MET A 1 -2.013 -11.545 6.505 1.00 0.00 O ATOM 5 CB MET A 1 -1.740 -9.293 8.929 1.00 0.00 C ATOM 6 CG MET A 1 -1.017 -8.596 7.787 1.00 0.00 C ATOM 7 SD MET A 1 -1.098 -6.799 7.902 1.00 0.00 S ATOM 8 CE MET A 1 -0.264 -6.510 9.462 1.00 0.00 C ATOM 0 H1 MET A 1 0.161 -10.905 9.402 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.510 -12.414 9.007 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.074 -11.330 7.775 1.00 0.00 H new ATOM 0 HA MET A 1 -2.335 -11.231 9.645 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.752 -8.894 9.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.235 -9.055 9.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.027 -8.908 7.780 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.452 -8.915 6.840 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.401 -5.651 9.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.003 -6.312 10.238 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.318 -7.391 9.732 1.00 0.00 H new ATOM 20 N THR A 2 -3.914 -11.058 7.593 1.00 0.00 N ATOM 21 CA THR A 2 -4.762 -11.347 6.449 1.00 0.00 C ATOM 22 C THR A 2 -5.159 -10.066 5.719 1.00 0.00 C ATOM 23 O THR A 2 -4.954 -8.961 6.226 1.00 0.00 O ATOM 24 CB THR A 2 -6.029 -12.119 6.865 1.00 0.00 C ATOM 25 OG1 THR A 2 -6.689 -11.446 7.945 1.00 0.00 O ATOM 26 CG2 THR A 2 -5.683 -13.541 7.282 1.00 0.00 C ATOM 0 H THR A 2 -4.418 -10.768 8.431 1.00 0.00 H new ATOM 0 HA THR A 2 -4.180 -11.974 5.773 1.00 0.00 H new ATOM 0 HB THR A 2 -6.698 -12.160 6.005 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.142 -11.514 8.755 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.593 -14.067 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.213 -14.061 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.995 -13.515 8.127 1.00 0.00 H new ATOM 34 N ILE A 3 -5.728 -10.227 4.530 1.00 0.00 N ATOM 35 CA ILE A 3 -6.109 -9.095 3.689 1.00 0.00 C ATOM 36 C ILE A 3 -7.153 -8.215 4.375 1.00 0.00 C ATOM 37 O ILE A 3 -7.062 -6.990 4.336 1.00 0.00 O ATOM 38 CB ILE A 3 -6.666 -9.577 2.330 1.00 0.00 C ATOM 39 CG1 ILE A 3 -5.645 -10.475 1.631 1.00 0.00 C ATOM 40 CG2 ILE A 3 -7.028 -8.391 1.446 1.00 0.00 C ATOM 41 CD1 ILE A 3 -6.140 -11.063 0.326 1.00 0.00 C ATOM 0 H ILE A 3 -5.938 -11.138 4.123 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.207 -8.506 3.521 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.573 -10.154 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.740 -9.899 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.369 -11.287 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.418 -8.752 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.786 -7.785 1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.139 -7.786 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.361 -11.688 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.028 -11.667 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.388 -10.257 -0.365 1.00 0.00 H new ATOM 53 N SER A 4 -8.130 -8.847 5.017 1.00 0.00 N ATOM 54 CA SER A 4 -9.227 -8.128 5.652 1.00 0.00 C ATOM 55 C SER A 4 -8.729 -7.226 6.779 1.00 0.00 C ATOM 56 O SER A 4 -9.198 -6.098 6.936 1.00 0.00 O ATOM 57 CB SER A 4 -10.258 -9.129 6.175 1.00 0.00 C ATOM 58 OG SER A 4 -9.623 -10.216 6.829 1.00 0.00 O ATOM 0 H SER A 4 -8.184 -9.861 5.111 1.00 0.00 H new ATOM 0 HA SER A 4 -9.695 -7.484 4.907 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.937 -8.630 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.862 -9.500 5.347 1.00 0.00 H new ATOM 0 HG SER A 4 -10.302 -10.842 7.157 1.00 0.00 H new ATOM 64 N GLU A 5 -7.762 -7.721 7.545 1.00 0.00 N ATOM 65 CA GLU A 5 -7.176 -6.950 8.633 1.00 0.00 C ATOM 66 C GLU A 5 -6.451 -5.729 8.086 1.00 0.00 C ATOM 67 O GLU A 5 -6.536 -4.635 8.647 1.00 0.00 O ATOM 68 CB GLU A 5 -6.201 -7.810 9.434 1.00 0.00 C ATOM 69 CG GLU A 5 -6.851 -9.023 10.071 1.00 0.00 C ATOM 70 CD GLU A 5 -5.843 -9.930 10.737 1.00 0.00 C ATOM 71 OE1 GLU A 5 -5.221 -10.753 10.029 1.00 0.00 O ATOM 72 OE2 GLU A 5 -5.665 -9.825 11.966 1.00 0.00 O ATOM 0 H GLU A 5 -7.368 -8.655 7.431 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.981 -6.622 9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.396 -8.141 8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.746 -7.200 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.584 -8.695 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.394 -9.583 9.310 1.00 0.00 H new ATOM 79 N LEU A 6 -5.750 -5.927 6.976 1.00 0.00 N ATOM 80 CA LEU A 6 -5.022 -4.849 6.325 1.00 0.00 C ATOM 81 C LEU A 6 -5.993 -3.799 5.803 1.00 0.00 C ATOM 82 O LEU A 6 -5.783 -2.598 5.973 1.00 0.00 O ATOM 83 CB LEU A 6 -4.178 -5.405 5.178 1.00 0.00 C ATOM 84 CG LEU A 6 -3.204 -4.411 4.542 1.00 0.00 C ATOM 85 CD1 LEU A 6 -2.216 -3.897 5.575 1.00 0.00 C ATOM 86 CD2 LEU A 6 -2.470 -5.056 3.378 1.00 0.00 C ATOM 0 H LEU A 6 -5.671 -6.830 6.507 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.360 -4.381 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.610 -6.259 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.848 -5.778 4.403 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.776 -3.564 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.531 -3.191 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.757 -3.397 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.650 -4.733 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.782 -4.335 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.910 -5.921 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.191 -5.376 2.626 1.00 0.00 H new ATOM 98 N LEU A 7 -7.065 -4.263 5.174 1.00 0.00 N ATOM 99 CA LEU A 7 -8.100 -3.376 4.656 1.00 0.00 C ATOM 100 C LEU A 7 -8.759 -2.589 5.784 1.00 0.00 C ATOM 101 O LEU A 7 -9.082 -1.411 5.623 1.00 0.00 O ATOM 102 CB LEU A 7 -9.156 -4.172 3.887 1.00 0.00 C ATOM 103 CG LEU A 7 -8.649 -4.878 2.627 1.00 0.00 C ATOM 104 CD1 LEU A 7 -9.780 -5.635 1.952 1.00 0.00 C ATOM 105 CD2 LEU A 7 -8.026 -3.873 1.669 1.00 0.00 C ATOM 0 H LEU A 7 -7.241 -5.254 5.009 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.625 -2.671 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.583 -4.919 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.964 -3.496 3.606 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.881 -5.596 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.403 -6.131 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.180 -6.380 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.570 -4.937 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.671 -4.391 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.772 -3.131 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.188 -3.375 2.158 1.00 0.00 H new ATOM 117 N GLN A 8 -8.954 -3.243 6.924 1.00 0.00 N ATOM 118 CA GLN A 8 -9.498 -2.580 8.102 1.00 0.00 C ATOM 119 C GLN A 8 -8.562 -1.469 8.566 1.00 0.00 C ATOM 120 O GLN A 8 -9.003 -0.367 8.897 1.00 0.00 O ATOM 121 CB GLN A 8 -9.715 -3.585 9.235 1.00 0.00 C ATOM 122 CG GLN A 8 -10.209 -2.949 10.527 1.00 0.00 C ATOM 123 CD GLN A 8 -10.294 -3.937 11.672 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.331 -4.558 11.896 1.00 0.00 O ATOM 125 NE2 GLN A 8 -9.207 -4.084 12.412 1.00 0.00 N ATOM 0 H GLN A 8 -8.743 -4.232 7.057 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.460 -2.144 7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.436 -4.336 8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.778 -4.106 9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.540 -2.135 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.192 -2.510 10.358 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.366 -3.550 12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.211 -4.731 13.201 1.00 0.00 H new ATOM 134 N TYR A 9 -7.268 -1.764 8.569 1.00 0.00 N ATOM 135 CA TYR A 9 -6.261 -0.807 9.003 1.00 0.00 C ATOM 136 C TYR A 9 -6.207 0.391 8.058 1.00 0.00 C ATOM 137 O TYR A 9 -5.970 1.521 8.484 1.00 0.00 O ATOM 138 CB TYR A 9 -4.891 -1.485 9.081 1.00 0.00 C ATOM 139 CG TYR A 9 -3.826 -0.635 9.736 1.00 0.00 C ATOM 140 CD1 TYR A 9 -3.988 -0.175 11.035 1.00 0.00 C ATOM 141 CD2 TYR A 9 -2.661 -0.296 9.059 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.023 0.599 11.642 1.00 0.00 C ATOM 143 CE2 TYR A 9 -1.687 0.478 9.662 1.00 0.00 C ATOM 144 CZ TYR A 9 -1.875 0.922 10.955 1.00 0.00 C ATOM 145 OH TYR A 9 -0.913 1.693 11.564 1.00 0.00 O ATOM 0 H TYR A 9 -6.891 -2.664 8.274 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.534 -0.445 9.994 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.989 -2.419 9.635 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.567 -1.745 8.073 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.886 -0.428 11.580 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.514 -0.642 8.047 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.167 0.951 12.653 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.785 0.733 9.125 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.386 2.159 10.881 1.00 0.00 H new ATOM 155 N CYS A 10 -6.445 0.140 6.778 1.00 0.00 N ATOM 156 CA CYS A 10 -6.450 1.200 5.778 1.00 0.00 C ATOM 157 C CYS A 10 -7.700 2.067 5.907 1.00 0.00 C ATOM 158 O CYS A 10 -7.692 3.239 5.541 1.00 0.00 O ATOM 159 CB CYS A 10 -6.353 0.600 4.378 1.00 0.00 C ATOM 160 SG CYS A 10 -4.894 -0.440 4.136 1.00 0.00 S ATOM 0 H CYS A 10 -6.638 -0.790 6.407 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.582 1.838 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.247 0.008 4.183 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.339 1.407 3.646 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.004 -1.517 4.856 1.00 0.00 H new ATOM 166 N MET A 11 -8.770 1.488 6.445 1.00 0.00 N ATOM 167 CA MET A 11 -10.005 2.232 6.674 1.00 0.00 C ATOM 168 C MET A 11 -9.875 3.127 7.898 1.00 0.00 C ATOM 169 O MET A 11 -10.702 4.003 8.133 1.00 0.00 O ATOM 170 CB MET A 11 -11.194 1.282 6.841 1.00 0.00 C ATOM 171 CG MET A 11 -11.666 0.640 5.543 1.00 0.00 C ATOM 172 SD MET A 11 -12.886 1.636 4.647 1.00 0.00 S ATOM 173 CE MET A 11 -11.913 3.044 4.114 1.00 0.00 C ATOM 0 H MET A 11 -8.807 0.509 6.730 1.00 0.00 H new ATOM 0 HA MET A 11 -10.184 2.858 5.800 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.920 0.495 7.544 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.024 1.831 7.285 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.805 0.468 4.898 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.098 -0.336 5.765 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.368 3.486 3.227 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.879 3.786 4.912 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.900 2.718 3.878 1.00 0.00 H new ATOM 183 N ALA A 12 -8.825 2.896 8.672 1.00 0.00 N ATOM 184 CA ALA A 12 -8.536 3.719 9.834 1.00 0.00 C ATOM 185 C ALA A 12 -7.687 4.922 9.432 1.00 0.00 C ATOM 186 O ALA A 12 -7.196 5.666 10.281 1.00 0.00 O ATOM 187 CB ALA A 12 -7.824 2.896 10.896 1.00 0.00 C ATOM 0 H ALA A 12 -8.157 2.142 8.514 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.476 4.083 10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.613 3.524 11.762 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.459 2.063 11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.889 2.510 10.491 1.00 0.00 H new ATOM 193 N LYS A 13 -7.501 5.086 8.126 1.00 0.00 N ATOM 194 CA LYS A 13 -6.758 6.214 7.584 1.00 0.00 C ATOM 195 C LYS A 13 -7.714 7.162 6.870 1.00 0.00 C ATOM 196 O LYS A 13 -8.217 6.853 5.789 1.00 0.00 O ATOM 197 CB LYS A 13 -5.676 5.729 6.615 1.00 0.00 C ATOM 198 CG LYS A 13 -4.699 4.738 7.230 1.00 0.00 C ATOM 199 CD LYS A 13 -3.928 5.343 8.390 1.00 0.00 C ATOM 200 CE LYS A 13 -2.974 4.329 9.000 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.165 4.916 10.102 1.00 0.00 N ATOM 0 H LYS A 13 -7.859 4.444 7.419 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.273 6.743 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.155 5.265 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.120 6.591 6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.244 3.859 7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.998 4.399 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.368 6.212 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.625 5.694 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.542 3.480 9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.309 3.946 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.481 4.211 10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.655 5.752 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.793 5.196 10.882 1.00 0.00 H new ATOM 215 N PRO A 14 -7.986 8.324 7.478 1.00 0.00 N ATOM 216 CA PRO A 14 -8.919 9.307 6.924 1.00 0.00 C ATOM 217 C PRO A 14 -8.514 9.762 5.526 1.00 0.00 C ATOM 218 O PRO A 14 -7.348 10.070 5.273 1.00 0.00 O ATOM 219 CB PRO A 14 -8.854 10.479 7.913 1.00 0.00 C ATOM 220 CG PRO A 14 -7.613 10.258 8.709 1.00 0.00 C ATOM 221 CD PRO A 14 -7.407 8.774 8.750 1.00 0.00 C ATOM 0 HA PRO A 14 -9.921 8.893 6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.819 11.434 7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.734 10.500 8.556 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.760 10.758 8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.717 10.665 9.715 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.351 8.515 8.826 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.909 8.320 9.605 1.00 0.00 H new ATOM 229 N GLY A 15 -9.475 9.772 4.614 1.00 0.00 N ATOM 230 CA GLY A 15 -9.207 10.219 3.265 1.00 0.00 C ATOM 231 C GLY A 15 -9.100 9.063 2.295 1.00 0.00 C ATOM 232 O GLY A 15 -9.383 9.215 1.107 1.00 0.00 O ATOM 0 H GLY A 15 -10.436 9.478 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.002 10.891 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.280 10.791 3.250 1.00 0.00 H new ATOM 236 N ALA A 16 -8.702 7.904 2.803 1.00 0.00 N ATOM 237 CA ALA A 16 -8.553 6.721 1.972 1.00 0.00 C ATOM 238 C ALA A 16 -9.909 6.101 1.673 1.00 0.00 C ATOM 239 O ALA A 16 -10.729 5.907 2.573 1.00 0.00 O ATOM 240 CB ALA A 16 -7.640 5.708 2.647 1.00 0.00 C ATOM 0 H ALA A 16 -8.477 7.760 3.787 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.098 7.020 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.539 4.828 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.658 6.154 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.067 5.415 3.606 1.00 0.00 H new ATOM 246 N GLU A 17 -10.146 5.802 0.408 1.00 0.00 N ATOM 247 CA GLU A 17 -11.407 5.224 -0.010 1.00 0.00 C ATOM 248 C GLU A 17 -11.177 3.889 -0.708 1.00 0.00 C ATOM 249 O GLU A 17 -10.132 3.667 -1.325 1.00 0.00 O ATOM 250 CB GLU A 17 -12.156 6.196 -0.929 1.00 0.00 C ATOM 251 CG GLU A 17 -13.591 5.780 -1.208 1.00 0.00 C ATOM 252 CD GLU A 17 -14.326 5.406 0.062 1.00 0.00 C ATOM 253 OE1 GLU A 17 -14.710 6.317 0.822 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.504 4.194 0.306 1.00 0.00 O ATOM 0 H GLU A 17 -9.478 5.951 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.019 5.044 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.155 7.187 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.619 6.277 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.116 6.596 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.597 4.933 -1.894 1.00 0.00 H new ATOM 261 N GLN A 18 -12.161 3.010 -0.604 1.00 0.00 N ATOM 262 CA GLN A 18 -12.087 1.691 -1.178 1.00 0.00 C ATOM 263 C GLN A 18 -12.623 1.694 -2.602 1.00 0.00 C ATOM 264 O GLN A 18 -13.768 2.073 -2.847 1.00 0.00 O ATOM 265 CB GLN A 18 -12.908 0.736 -0.327 1.00 0.00 C ATOM 266 CG GLN A 18 -12.835 -0.693 -0.792 1.00 0.00 C ATOM 267 CD GLN A 18 -13.883 -1.572 -0.144 1.00 0.00 C ATOM 268 OE1 GLN A 18 -14.989 -1.721 -0.664 1.00 0.00 O ATOM 269 NE2 GLN A 18 -13.554 -2.154 0.994 1.00 0.00 N ATOM 0 H GLN A 18 -13.035 3.200 -0.115 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.045 1.372 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.562 0.792 0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.949 1.059 -0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.958 -0.725 -1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.845 -1.092 -0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.627 -2.006 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.227 -2.752 1.474 1.00 0.00 H new ATOM 278 N SER A 19 -11.790 1.282 -3.533 1.00 0.00 N ATOM 279 CA SER A 19 -12.199 1.178 -4.921 1.00 0.00 C ATOM 280 C SER A 19 -12.012 -0.250 -5.425 1.00 0.00 C ATOM 281 O SER A 19 -10.891 -0.693 -5.672 1.00 0.00 O ATOM 282 CB SER A 19 -11.396 2.156 -5.777 1.00 0.00 C ATOM 283 OG SER A 19 -11.540 3.483 -5.291 1.00 0.00 O ATOM 0 H SER A 19 -10.822 1.012 -3.355 1.00 0.00 H new ATOM 0 HA SER A 19 -13.256 1.433 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.343 1.873 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.734 2.104 -6.812 1.00 0.00 H new ATOM 0 HG SER A 19 -11.017 4.095 -5.851 1.00 0.00 H new ATOM 289 N VAL A 20 -13.112 -0.974 -5.552 1.00 0.00 N ATOM 290 CA VAL A 20 -13.068 -2.338 -6.049 1.00 0.00 C ATOM 291 C VAL A 20 -13.431 -2.378 -7.528 1.00 0.00 C ATOM 292 O VAL A 20 -14.507 -1.943 -7.934 1.00 0.00 O ATOM 293 CB VAL A 20 -13.997 -3.283 -5.243 1.00 0.00 C ATOM 294 CG1 VAL A 20 -15.410 -2.722 -5.137 1.00 0.00 C ATOM 295 CG2 VAL A 20 -14.026 -4.674 -5.864 1.00 0.00 C ATOM 0 H VAL A 20 -14.046 -0.639 -5.317 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.046 -2.696 -5.921 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.589 -3.359 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -16.033 -3.410 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -15.381 -1.756 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.828 -2.598 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.684 -5.319 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.396 -4.608 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.019 -5.092 -5.868 1.00 0.00 H new ATOM 305 N HIS A 21 -12.510 -2.876 -8.335 1.00 0.00 N ATOM 306 CA HIS A 21 -12.740 -2.996 -9.763 1.00 0.00 C ATOM 307 C HIS A 21 -12.730 -4.462 -10.164 1.00 0.00 C ATOM 308 O HIS A 21 -11.872 -5.222 -9.713 1.00 0.00 O ATOM 309 CB HIS A 21 -11.683 -2.216 -10.552 1.00 0.00 C ATOM 310 CG HIS A 21 -11.808 -0.727 -10.433 1.00 0.00 C ATOM 311 ND1 HIS A 21 -12.262 0.069 -11.460 1.00 0.00 N ATOM 312 CD2 HIS A 21 -11.520 0.113 -9.410 1.00 0.00 C ATOM 313 CE1 HIS A 21 -12.242 1.332 -11.078 1.00 0.00 C ATOM 314 NE2 HIS A 21 -11.800 1.386 -9.838 1.00 0.00 N ATOM 0 H HIS A 21 -11.595 -3.204 -8.025 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.716 -2.570 -9.997 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.693 -2.516 -10.208 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.752 -2.493 -11.604 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.141 -0.167 -8.438 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.538 2.178 -11.680 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -11.685 2.236 -9.286 1.00 0.00 H new ATOM 323 N ASN A 22 -13.673 -4.852 -11.018 1.00 0.00 N ATOM 324 CA ASN A 22 -13.824 -6.255 -11.426 1.00 0.00 C ATOM 325 C ASN A 22 -12.697 -6.708 -12.360 1.00 0.00 C ATOM 326 O ASN A 22 -12.811 -7.731 -13.033 1.00 0.00 O ATOM 327 CB ASN A 22 -15.182 -6.485 -12.103 1.00 0.00 C ATOM 328 CG ASN A 22 -16.356 -6.288 -11.156 1.00 0.00 C ATOM 329 OD1 ASN A 22 -16.230 -6.462 -9.945 1.00 0.00 O ATOM 330 ND2 ASN A 22 -17.514 -5.940 -11.703 1.00 0.00 N ATOM 0 H ASN A 22 -14.348 -4.218 -11.445 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.769 -6.854 -10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.283 -5.801 -12.946 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.214 -7.497 -12.508 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.337 -5.808 -11.115 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.581 -5.804 -12.712 1.00 0.00 H new ATOM 337 N ASP A 23 -11.618 -5.936 -12.395 1.00 0.00 N ATOM 338 CA ASP A 23 -10.403 -6.311 -13.114 1.00 0.00 C ATOM 339 C ASP A 23 -9.828 -7.593 -12.520 1.00 0.00 C ATOM 340 O ASP A 23 -9.662 -8.600 -13.208 1.00 0.00 O ATOM 341 CB ASP A 23 -9.384 -5.168 -13.024 1.00 0.00 C ATOM 342 CG ASP A 23 -8.017 -5.532 -13.564 1.00 0.00 C ATOM 343 OD1 ASP A 23 -7.892 -5.770 -14.785 1.00 0.00 O ATOM 344 OD2 ASP A 23 -7.055 -5.573 -12.766 1.00 0.00 O ATOM 0 H ASP A 23 -11.559 -5.032 -11.926 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.637 -6.491 -14.163 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.766 -4.308 -13.574 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.285 -4.862 -11.983 1.00 0.00 H new ATOM 349 N TRP A 24 -9.527 -7.537 -11.231 1.00 0.00 N ATOM 350 CA TRP A 24 -9.146 -8.721 -10.465 1.00 0.00 C ATOM 351 C TRP A 24 -10.114 -8.887 -9.300 1.00 0.00 C ATOM 352 O TRP A 24 -9.968 -9.791 -8.479 1.00 0.00 O ATOM 353 CB TRP A 24 -7.715 -8.589 -9.917 1.00 0.00 C ATOM 354 CG TRP A 24 -6.623 -8.779 -10.933 1.00 0.00 C ATOM 355 CD1 TRP A 24 -6.670 -8.481 -12.262 1.00 0.00 C ATOM 356 CD2 TRP A 24 -5.311 -9.300 -10.686 1.00 0.00 C ATOM 357 NE1 TRP A 24 -5.471 -8.781 -12.856 1.00 0.00 N ATOM 358 CE2 TRP A 24 -4.621 -9.289 -11.914 1.00 0.00 C ATOM 359 CE3 TRP A 24 -4.651 -9.774 -9.549 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -3.309 -9.734 -12.035 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -3.347 -10.218 -9.670 1.00 0.00 C ATOM 362 CH2 TRP A 24 -2.687 -10.194 -10.907 1.00 0.00 C ATOM 0 H TRP A 24 -9.539 -6.675 -10.686 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.184 -9.589 -11.123 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.604 -7.602 -9.468 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -7.579 -9.319 -9.119 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.527 -8.068 -12.773 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.249 -8.647 -13.842 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.151 -9.793 -8.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.799 -9.717 -12.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.829 -10.589 -8.798 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.668 -10.546 -10.970 1.00 0.00 H new ATOM 373 N LYS A 25 -11.107 -7.988 -9.256 1.00 0.00 N ATOM 374 CA LYS A 25 -12.009 -7.840 -8.110 1.00 0.00 C ATOM 375 C LYS A 25 -11.199 -7.461 -6.873 1.00 0.00 C ATOM 376 O LYS A 25 -11.618 -7.666 -5.733 1.00 0.00 O ATOM 377 CB LYS A 25 -12.817 -9.117 -7.859 1.00 0.00 C ATOM 378 CG LYS A 25 -14.130 -8.858 -7.138 1.00 0.00 C ATOM 379 CD LYS A 25 -14.669 -10.110 -6.466 1.00 0.00 C ATOM 380 CE LYS A 25 -13.760 -10.557 -5.333 1.00 0.00 C ATOM 381 NZ LYS A 25 -14.372 -11.640 -4.525 1.00 0.00 N ATOM 0 H LYS A 25 -11.306 -7.341 -10.019 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.723 -7.047 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.022 -9.603 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.216 -9.810 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.985 -8.079 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.866 -8.483 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.670 -9.917 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.760 -10.910 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.811 -10.903 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.537 -9.706 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.720 -11.916 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.265 -11.303 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.561 -12.462 -5.133 1.00 0.00 H new ATOM 395 N ALA A 26 -10.041 -6.874 -7.124 1.00 0.00 N ATOM 396 CA ALA A 26 -9.117 -6.505 -6.072 1.00 0.00 C ATOM 397 C ALA A 26 -9.446 -5.125 -5.527 1.00 0.00 C ATOM 398 O ALA A 26 -10.076 -4.312 -6.207 1.00 0.00 O ATOM 399 CB ALA A 26 -7.692 -6.547 -6.601 1.00 0.00 C ATOM 0 H ALA A 26 -9.718 -6.641 -8.063 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.211 -7.220 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.000 -6.269 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.462 -7.555 -6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.591 -5.848 -7.431 1.00 0.00 H new ATOM 405 N THR A 27 -9.016 -4.866 -4.306 1.00 0.00 N ATOM 406 CA THR A 27 -9.289 -3.603 -3.659 1.00 0.00 C ATOM 407 C THR A 27 -8.161 -2.611 -3.921 1.00 0.00 C ATOM 408 O THR A 27 -7.012 -2.837 -3.536 1.00 0.00 O ATOM 409 CB THR A 27 -9.458 -3.802 -2.143 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.436 -4.824 -1.895 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.882 -2.508 -1.470 1.00 0.00 C ATOM 0 H THR A 27 -8.473 -5.520 -3.742 1.00 0.00 H new ATOM 0 HA THR A 27 -10.215 -3.204 -4.073 1.00 0.00 H new ATOM 0 HB THR A 27 -8.498 -4.106 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.540 -4.950 -0.929 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.995 -2.675 -0.399 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.124 -1.744 -1.640 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.832 -2.175 -1.887 1.00 0.00 H new ATOM 419 N GLN A 28 -8.493 -1.522 -4.591 1.00 0.00 N ATOM 420 CA GLN A 28 -7.545 -0.452 -4.825 1.00 0.00 C ATOM 421 C GLN A 28 -7.799 0.672 -3.829 1.00 0.00 C ATOM 422 O GLN A 28 -8.902 1.218 -3.761 1.00 0.00 O ATOM 423 CB GLN A 28 -7.658 0.054 -6.266 1.00 0.00 C ATOM 424 CG GLN A 28 -7.387 -1.027 -7.306 1.00 0.00 C ATOM 425 CD GLN A 28 -7.487 -0.515 -8.729 1.00 0.00 C ATOM 426 OE1 GLN A 28 -8.556 -0.541 -9.336 1.00 0.00 O ATOM 427 NE2 GLN A 28 -6.370 -0.062 -9.277 1.00 0.00 N ATOM 0 H GLN A 28 -9.419 -1.357 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.531 -0.826 -4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.658 0.459 -6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.955 0.874 -6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.391 -1.440 -7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.097 -1.843 -7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.503 -0.057 -8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.376 0.282 -10.237 1.00 0.00 H new ATOM 436 N ILE A 29 -6.790 0.991 -3.041 1.00 0.00 N ATOM 437 CA ILE A 29 -6.939 1.973 -1.984 1.00 0.00 C ATOM 438 C ILE A 29 -6.301 3.292 -2.395 1.00 0.00 C ATOM 439 O ILE A 29 -5.088 3.371 -2.598 1.00 0.00 O ATOM 440 CB ILE A 29 -6.302 1.478 -0.670 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.751 0.045 -0.376 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.689 2.399 0.477 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.046 -0.589 0.803 1.00 0.00 C ATOM 0 H ILE A 29 -5.857 0.584 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.006 2.123 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.217 1.489 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.825 0.042 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.580 -0.568 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.234 2.041 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.337 3.409 0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.773 2.408 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.419 -1.603 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.973 -0.620 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.237 -0.001 1.701 1.00 0.00 H new ATOM 455 N LYS A 30 -7.121 4.320 -2.533 1.00 0.00 N ATOM 456 CA LYS A 30 -6.636 5.623 -2.948 1.00 0.00 C ATOM 457 C LYS A 30 -7.136 6.699 -1.999 1.00 0.00 C ATOM 458 O LYS A 30 -8.124 6.505 -1.292 1.00 0.00 O ATOM 459 CB LYS A 30 -7.106 5.956 -4.370 1.00 0.00 C ATOM 460 CG LYS A 30 -8.584 6.318 -4.455 1.00 0.00 C ATOM 461 CD LYS A 30 -8.952 6.859 -5.826 1.00 0.00 C ATOM 462 CE LYS A 30 -10.361 7.442 -5.843 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.479 8.675 -5.007 1.00 0.00 N ATOM 0 H LYS A 30 -8.126 4.276 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.547 5.592 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.514 6.787 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.912 5.101 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.188 5.437 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.821 7.062 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.237 7.628 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.880 6.060 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.642 7.675 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.065 6.693 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.478 8.955 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.109 8.485 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.932 9.444 -5.444 1.00 0.00 H new ATOM 477 N VAL A 31 -6.441 7.822 -1.983 1.00 0.00 N ATOM 478 CA VAL A 31 -6.931 9.010 -1.311 1.00 0.00 C ATOM 479 C VAL A 31 -7.777 9.792 -2.313 1.00 0.00 C ATOM 480 O VAL A 31 -8.595 9.204 -3.021 1.00 0.00 O ATOM 481 CB VAL A 31 -5.768 9.886 -0.777 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.241 10.769 0.373 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.595 9.021 -0.337 1.00 0.00 C ATOM 0 H VAL A 31 -5.531 7.935 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.527 8.722 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.431 10.530 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.409 11.375 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.042 11.422 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.611 10.142 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.792 9.658 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.918 8.346 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.234 8.439 -1.185 1.00 0.00 H new ATOM 493 N GLU A 32 -7.577 11.095 -2.384 1.00 0.00 N ATOM 494 CA GLU A 32 -8.239 11.916 -3.387 1.00 0.00 C ATOM 495 C GLU A 32 -7.951 11.382 -4.789 1.00 0.00 C ATOM 496 O GLU A 32 -8.841 10.872 -5.471 1.00 0.00 O ATOM 497 CB GLU A 32 -7.766 13.362 -3.262 1.00 0.00 C ATOM 498 CG GLU A 32 -8.110 13.995 -1.926 1.00 0.00 C ATOM 499 CD GLU A 32 -9.585 14.317 -1.790 1.00 0.00 C ATOM 500 OE1 GLU A 32 -10.419 13.399 -1.929 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.911 15.503 -1.561 1.00 0.00 O ATOM 0 H GLU A 32 -6.959 11.611 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.316 11.878 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.686 13.397 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.213 13.953 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.815 13.320 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.530 14.910 -1.803 1.00 0.00 H new ATOM 508 N ASP A 33 -6.695 11.482 -5.201 1.00 0.00 N ATOM 509 CA ASP A 33 -6.264 10.967 -6.497 1.00 0.00 C ATOM 510 C ASP A 33 -4.956 10.190 -6.339 1.00 0.00 C ATOM 511 O ASP A 33 -4.355 9.730 -7.310 1.00 0.00 O ATOM 512 CB ASP A 33 -6.096 12.126 -7.490 1.00 0.00 C ATOM 513 CG ASP A 33 -5.723 11.671 -8.889 1.00 0.00 C ATOM 514 OD1 ASP A 33 -6.554 11.016 -9.553 1.00 0.00 O ATOM 515 OD2 ASP A 33 -4.600 11.988 -9.341 1.00 0.00 O ATOM 0 H ASP A 33 -5.952 11.917 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.022 10.288 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.026 12.693 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.327 12.804 -7.119 1.00 0.00 H new ATOM 520 N VAL A 34 -4.525 10.027 -5.096 1.00 0.00 N ATOM 521 CA VAL A 34 -3.262 9.367 -4.811 1.00 0.00 C ATOM 522 C VAL A 34 -3.483 7.903 -4.456 1.00 0.00 C ATOM 523 O VAL A 34 -4.019 7.586 -3.392 1.00 0.00 O ATOM 524 CB VAL A 34 -2.508 10.055 -3.654 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.157 9.395 -3.427 1.00 0.00 C ATOM 526 CG2 VAL A 34 -2.341 11.543 -3.926 1.00 0.00 C ATOM 0 H VAL A 34 -5.033 10.343 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.658 9.438 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.101 9.941 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.641 9.895 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.303 8.344 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.557 9.472 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.807 12.007 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.774 11.683 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.322 12.006 -4.030 1.00 0.00 H new ATOM 536 N LEU A 35 -3.107 7.022 -5.367 1.00 0.00 N ATOM 537 CA LEU A 35 -3.137 5.590 -5.108 1.00 0.00 C ATOM 538 C LEU A 35 -1.748 5.155 -4.663 1.00 0.00 C ATOM 539 O LEU A 35 -0.816 5.097 -5.469 1.00 0.00 O ATOM 540 CB LEU A 35 -3.578 4.828 -6.370 1.00 0.00 C ATOM 541 CG LEU A 35 -4.093 3.395 -6.153 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.761 2.878 -7.417 1.00 0.00 C ATOM 543 CD2 LEU A 35 -2.970 2.453 -5.743 1.00 0.00 C ATOM 0 H LEU A 35 -2.775 7.274 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.857 5.364 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.363 5.403 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.734 4.788 -7.059 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.822 3.426 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.121 1.863 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.601 3.523 -7.674 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.041 2.877 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.371 1.450 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.210 2.431 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.523 2.803 -4.812 1.00 0.00 H new ATOM 555 N PHE A 36 -1.603 4.884 -3.378 1.00 0.00 N ATOM 556 CA PHE A 36 -0.303 4.542 -2.820 1.00 0.00 C ATOM 557 C PHE A 36 -0.091 3.032 -2.775 1.00 0.00 C ATOM 558 O PHE A 36 1.027 2.552 -2.981 1.00 0.00 O ATOM 559 CB PHE A 36 -0.128 5.161 -1.425 1.00 0.00 C ATOM 560 CG PHE A 36 -1.242 4.861 -0.455 1.00 0.00 C ATOM 561 CD1 PHE A 36 -2.377 5.653 -0.422 1.00 0.00 C ATOM 562 CD2 PHE A 36 -1.147 3.796 0.426 1.00 0.00 C ATOM 563 CE1 PHE A 36 -3.398 5.389 0.471 1.00 0.00 C ATOM 564 CE2 PHE A 36 -2.165 3.526 1.319 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.292 4.323 1.342 1.00 0.00 C ATOM 0 H PHE A 36 -2.366 4.894 -2.701 1.00 0.00 H new ATOM 0 HA PHE A 36 0.458 4.960 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.810 4.805 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.039 6.242 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.466 6.487 -1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.267 3.170 0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.278 6.016 0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.080 2.692 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.089 4.113 2.040 1.00 0.00 H new ATOM 575 N ALA A 37 -1.163 2.286 -2.526 1.00 0.00 N ATOM 576 CA ALA A 37 -1.081 0.836 -2.445 1.00 0.00 C ATOM 577 C ALA A 37 -2.424 0.199 -2.773 1.00 0.00 C ATOM 578 O ALA A 37 -3.474 0.699 -2.372 1.00 0.00 O ATOM 579 CB ALA A 37 -0.617 0.405 -1.061 1.00 0.00 C ATOM 0 H ALA A 37 -2.098 2.664 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.351 0.496 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.561 -0.683 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.368 0.827 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.325 0.762 -0.313 1.00 0.00 H new ATOM 585 N MET A 38 -2.383 -0.891 -3.515 1.00 0.00 N ATOM 586 CA MET A 38 -3.586 -1.635 -3.851 1.00 0.00 C ATOM 587 C MET A 38 -3.330 -3.125 -3.707 1.00 0.00 C ATOM 588 O MET A 38 -2.304 -3.632 -4.162 1.00 0.00 O ATOM 589 CB MET A 38 -4.053 -1.302 -5.275 1.00 0.00 C ATOM 590 CG MET A 38 -3.021 -1.591 -6.357 1.00 0.00 C ATOM 591 SD MET A 38 -3.621 -1.197 -8.010 1.00 0.00 S ATOM 592 CE MET A 38 -2.177 -1.589 -8.997 1.00 0.00 C ATOM 0 H MET A 38 -1.524 -1.285 -3.900 1.00 0.00 H new ATOM 0 HA MET A 38 -4.379 -1.346 -3.161 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.957 -1.871 -5.491 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.322 -0.247 -5.319 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.118 -1.015 -6.156 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.743 -2.644 -6.317 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.392 -1.397 -10.048 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.339 -0.969 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.921 -2.640 -8.866 1.00 0.00 H new ATOM 602 N VAL A 39 -4.246 -3.828 -3.065 1.00 0.00 N ATOM 603 CA VAL A 39 -4.063 -5.250 -2.837 1.00 0.00 C ATOM 604 C VAL A 39 -4.532 -6.064 -4.041 1.00 0.00 C ATOM 605 O VAL A 39 -5.724 -6.307 -4.227 1.00 0.00 O ATOM 606 CB VAL A 39 -4.775 -5.736 -1.547 1.00 0.00 C ATOM 607 CG1 VAL A 39 -4.052 -5.221 -0.314 1.00 0.00 C ATOM 608 CG2 VAL A 39 -6.234 -5.303 -1.515 1.00 0.00 C ATOM 0 H VAL A 39 -5.115 -3.443 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.993 -5.410 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.747 -6.826 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.565 -5.571 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.027 -5.590 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.045 -4.131 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.700 -5.661 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.292 -4.215 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.757 -5.722 -2.375 1.00 0.00 H new ATOM 618 N LYS A 40 -3.584 -6.451 -4.883 1.00 0.00 N ATOM 619 CA LYS A 40 -3.886 -7.310 -6.013 1.00 0.00 C ATOM 620 C LYS A 40 -3.658 -8.750 -5.603 1.00 0.00 C ATOM 621 O LYS A 40 -2.520 -9.210 -5.504 1.00 0.00 O ATOM 622 CB LYS A 40 -3.005 -6.962 -7.211 1.00 0.00 C ATOM 623 CG LYS A 40 -3.073 -5.505 -7.624 1.00 0.00 C ATOM 624 CD LYS A 40 -4.268 -5.196 -8.518 1.00 0.00 C ATOM 625 CE LYS A 40 -4.137 -5.867 -9.882 1.00 0.00 C ATOM 626 NZ LYS A 40 -5.045 -5.256 -10.895 1.00 0.00 N ATOM 0 H LYS A 40 -2.603 -6.183 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.925 -7.164 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.971 -7.214 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.299 -7.583 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.123 -4.882 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.155 -5.238 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.184 -5.534 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.356 -4.117 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.106 -5.790 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.363 -6.929 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.642 -5.996 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.648 -4.544 -10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.479 -4.801 -11.640 1.00 0.00 H new ATOM 640 N GLU A 41 -4.744 -9.453 -5.382 1.00 0.00 N ATOM 641 CA GLU A 41 -4.682 -10.798 -4.838 1.00 0.00 C ATOM 642 C GLU A 41 -4.546 -11.816 -5.960 1.00 0.00 C ATOM 643 O GLU A 41 -5.204 -11.703 -6.997 1.00 0.00 O ATOM 644 CB GLU A 41 -5.926 -11.087 -3.993 1.00 0.00 C ATOM 645 CG GLU A 41 -5.821 -12.359 -3.169 1.00 0.00 C ATOM 646 CD GLU A 41 -6.799 -13.429 -3.604 1.00 0.00 C ATOM 647 OE1 GLU A 41 -6.683 -13.924 -4.749 1.00 0.00 O ATOM 648 OE2 GLU A 41 -7.675 -13.803 -2.794 1.00 0.00 O ATOM 0 H GLU A 41 -5.689 -9.117 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.805 -10.876 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.104 -10.245 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.792 -11.161 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.806 -12.750 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.995 -12.121 -2.120 1.00 0.00 H new ATOM 655 N VAL A 42 -3.675 -12.792 -5.762 1.00 0.00 N ATOM 656 CA VAL A 42 -3.459 -13.827 -6.753 1.00 0.00 C ATOM 657 C VAL A 42 -3.436 -15.202 -6.093 1.00 0.00 C ATOM 658 O VAL A 42 -2.656 -15.447 -5.172 1.00 0.00 O ATOM 659 CB VAL A 42 -2.157 -13.580 -7.557 1.00 0.00 C ATOM 660 CG1 VAL A 42 -0.942 -13.479 -6.642 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.955 -14.666 -8.602 1.00 0.00 C ATOM 0 H VAL A 42 -3.106 -12.887 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.290 -13.794 -7.457 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.264 -12.623 -8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.048 -13.306 -7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.078 -12.651 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.829 -14.408 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.035 -14.473 -9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.886 -15.636 -8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.799 -14.669 -9.292 1.00 0.00 H new ATOM 671 N GLU A 43 -4.342 -16.074 -6.537 1.00 0.00 N ATOM 672 CA GLU A 43 -4.418 -17.450 -6.047 1.00 0.00 C ATOM 673 C GLU A 43 -4.755 -17.486 -4.559 1.00 0.00 C ATOM 674 O GLU A 43 -4.370 -18.417 -3.846 1.00 0.00 O ATOM 675 CB GLU A 43 -3.104 -18.193 -6.317 1.00 0.00 C ATOM 676 CG GLU A 43 -2.763 -18.301 -7.794 1.00 0.00 C ATOM 677 CD GLU A 43 -1.502 -19.100 -8.042 1.00 0.00 C ATOM 678 OE1 GLU A 43 -1.564 -20.346 -7.971 1.00 0.00 O ATOM 679 OE2 GLU A 43 -0.447 -18.490 -8.322 1.00 0.00 O ATOM 0 H GLU A 43 -5.041 -15.847 -7.244 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.219 -17.954 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.293 -17.680 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.168 -19.195 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.594 -18.768 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.643 -17.301 -8.210 1.00 0.00 H new ATOM 686 N ASN A 44 -5.492 -16.468 -4.109 1.00 0.00 N ATOM 687 CA ASN A 44 -5.918 -16.340 -2.712 1.00 0.00 C ATOM 688 C ASN A 44 -4.716 -16.100 -1.799 1.00 0.00 C ATOM 689 O ASN A 44 -4.760 -16.356 -0.597 1.00 0.00 O ATOM 690 CB ASN A 44 -6.723 -17.568 -2.261 1.00 0.00 C ATOM 691 CG ASN A 44 -7.550 -17.314 -1.006 1.00 0.00 C ATOM 692 OD1 ASN A 44 -8.059 -16.097 -0.858 1.00 0.00 O flip ATOM 693 ND2 ASN A 44 -7.755 -18.217 -0.188 1.00 0.00 N flip ATOM 0 H ASN A 44 -5.812 -15.705 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 44 -6.575 -15.473 -2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.386 -17.877 -3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.038 -18.396 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.347 -19.140 -0.335 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.332 -18.039 0.634 1.00 0.00 H new ATOM 700 N ARG A 45 -3.639 -15.594 -2.379 1.00 0.00 N ATOM 701 CA ARG A 45 -2.470 -15.224 -1.607 1.00 0.00 C ATOM 702 C ARG A 45 -2.453 -13.723 -1.358 1.00 0.00 C ATOM 703 O ARG A 45 -2.585 -12.930 -2.292 1.00 0.00 O ATOM 704 CB ARG A 45 -1.186 -15.645 -2.323 1.00 0.00 C ATOM 705 CG ARG A 45 -1.005 -17.150 -2.433 1.00 0.00 C ATOM 706 CD ARG A 45 -1.053 -17.818 -1.069 1.00 0.00 C ATOM 707 NE ARG A 45 -0.653 -19.221 -1.136 1.00 0.00 N ATOM 708 CZ ARG A 45 -1.200 -20.193 -0.408 1.00 0.00 C ATOM 709 NH1 ARG A 45 -2.190 -19.926 0.439 1.00 0.00 N ATOM 710 NH2 ARG A 45 -0.745 -21.435 -0.525 1.00 0.00 N ATOM 0 H ARG A 45 -3.553 -15.431 -3.382 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.520 -15.745 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.183 -15.215 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.332 -15.224 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.785 -17.566 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.051 -17.369 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.397 -17.286 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.063 -17.747 -0.665 1.00 0.00 H new ATOM 0 HE ARG A 45 0.094 -19.473 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.536 -18.971 0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.604 -20.676 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.019 -21.640 -1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.159 -22.184 0.029 1.00 0.00 H new ATOM 724 N PRO A 46 -2.309 -13.318 -0.089 1.00 0.00 N ATOM 725 CA PRO A 46 -2.248 -11.905 0.288 1.00 0.00 C ATOM 726 C PRO A 46 -1.059 -11.190 -0.349 1.00 0.00 C ATOM 727 O PRO A 46 0.098 -11.449 -0.009 1.00 0.00 O ATOM 728 CB PRO A 46 -2.109 -11.934 1.815 1.00 0.00 C ATOM 729 CG PRO A 46 -1.633 -13.309 2.140 1.00 0.00 C ATOM 730 CD PRO A 46 -2.200 -14.205 1.078 1.00 0.00 C ATOM 0 HA PRO A 46 -3.127 -11.357 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.401 -11.181 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.061 -11.722 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.544 -13.353 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.971 -13.615 3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.547 -15.055 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.170 -14.609 1.368 1.00 0.00 H new ATOM 738 N ALA A 47 -1.354 -10.313 -1.291 1.00 0.00 N ATOM 739 CA ALA A 47 -0.327 -9.558 -1.984 1.00 0.00 C ATOM 740 C ALA A 47 -0.773 -8.115 -2.175 1.00 0.00 C ATOM 741 O ALA A 47 -1.847 -7.852 -2.712 1.00 0.00 O ATOM 742 CB ALA A 47 -0.010 -10.208 -3.324 1.00 0.00 C ATOM 0 H ALA A 47 -2.305 -10.105 -1.595 1.00 0.00 H new ATOM 0 HA ALA A 47 0.580 -9.559 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.762 -9.632 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.345 -11.225 -3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.910 -10.233 -3.938 1.00 0.00 H new ATOM 748 N VAL A 48 0.045 -7.183 -1.715 1.00 0.00 N ATOM 749 CA VAL A 48 -0.272 -5.768 -1.843 1.00 0.00 C ATOM 750 C VAL A 48 0.756 -5.064 -2.727 1.00 0.00 C ATOM 751 O VAL A 48 1.963 -5.207 -2.532 1.00 0.00 O ATOM 752 CB VAL A 48 -0.361 -5.084 -0.455 1.00 0.00 C ATOM 753 CG1 VAL A 48 0.917 -5.292 0.347 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.676 -3.601 -0.596 1.00 0.00 C ATOM 0 H VAL A 48 0.932 -7.379 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.250 -5.686 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.178 -5.554 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.823 -4.800 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.083 -6.359 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.761 -4.866 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.733 -3.146 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.110 -3.116 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.631 -3.479 -1.107 1.00 0.00 H new ATOM 764 N SER A 49 0.271 -4.333 -3.717 1.00 0.00 N ATOM 765 CA SER A 49 1.136 -3.632 -4.650 1.00 0.00 C ATOM 766 C SER A 49 1.309 -2.175 -4.232 1.00 0.00 C ATOM 767 O SER A 49 0.350 -1.404 -4.233 1.00 0.00 O ATOM 768 CB SER A 49 0.552 -3.714 -6.063 1.00 0.00 C ATOM 769 OG SER A 49 0.314 -5.064 -6.436 1.00 0.00 O ATOM 0 H SER A 49 -0.726 -4.209 -3.896 1.00 0.00 H new ATOM 0 HA SER A 49 2.117 -4.108 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.380 -3.150 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.239 -3.252 -6.772 1.00 0.00 H new ATOM 0 HG SER A 49 -0.060 -5.092 -7.341 1.00 0.00 H new ATOM 775 N LEU A 50 2.529 -1.819 -3.857 1.00 0.00 N ATOM 776 CA LEU A 50 2.855 -0.459 -3.455 1.00 0.00 C ATOM 777 C LEU A 50 3.496 0.285 -4.618 1.00 0.00 C ATOM 778 O LEU A 50 4.114 -0.332 -5.489 1.00 0.00 O ATOM 779 CB LEU A 50 3.827 -0.448 -2.263 1.00 0.00 C ATOM 780 CG LEU A 50 3.239 -0.806 -0.891 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.757 -2.246 -0.850 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.275 -0.570 0.197 1.00 0.00 C ATOM 0 H LEU A 50 3.319 -2.463 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 50 1.928 0.032 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.637 -1.145 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.270 0.545 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 50 2.378 -0.161 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.347 -2.465 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.984 -2.393 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.593 -2.915 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.849 -0.827 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.149 -1.193 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.570 0.479 0.197 1.00 0.00 H new ATOM 794 N LYS A 51 3.356 1.604 -4.627 1.00 0.00 N ATOM 795 CA LYS A 51 4.010 2.431 -5.635 1.00 0.00 C ATOM 796 C LYS A 51 5.360 2.923 -5.106 1.00 0.00 C ATOM 797 O LYS A 51 5.848 3.982 -5.504 1.00 0.00 O ATOM 798 CB LYS A 51 3.130 3.628 -6.007 1.00 0.00 C ATOM 799 CG LYS A 51 3.535 4.291 -7.318 1.00 0.00 C ATOM 800 CD LYS A 51 3.051 5.731 -7.412 1.00 0.00 C ATOM 801 CE LYS A 51 3.967 6.692 -6.657 1.00 0.00 C ATOM 802 NZ LYS A 51 3.997 6.429 -5.190 1.00 0.00 N ATOM 0 H LYS A 51 2.797 2.124 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 51 4.169 1.828 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.093 3.299 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.175 4.366 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.621 4.268 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.129 3.719 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.998 6.028 -8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.041 5.801 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.978 6.612 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.635 7.716 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.339 7.276 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.039 6.196 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.635 5.631 -4.993 1.00 0.00 H new ATOM 816 N THR A 52 5.948 2.140 -4.204 1.00 0.00 N ATOM 817 CA THR A 52 7.248 2.446 -3.610 1.00 0.00 C ATOM 818 C THR A 52 7.161 3.600 -2.603 1.00 0.00 C ATOM 819 O THR A 52 6.642 4.677 -2.902 1.00 0.00 O ATOM 820 CB THR A 52 8.305 2.760 -4.691 1.00 0.00 C ATOM 821 OG1 THR A 52 8.401 1.657 -5.605 1.00 0.00 O ATOM 822 CG2 THR A 52 9.669 3.020 -4.068 1.00 0.00 C ATOM 0 H THR A 52 5.535 1.272 -3.863 1.00 0.00 H new ATOM 0 HA THR A 52 7.561 1.552 -3.071 1.00 0.00 H new ATOM 0 HB THR A 52 7.992 3.659 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.767 1.786 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.392 3.238 -4.854 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.603 3.870 -3.389 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.990 2.138 -3.514 1.00 0.00 H new ATOM 830 N SER A 53 7.659 3.351 -1.400 1.00 0.00 N ATOM 831 CA SER A 53 7.708 4.360 -0.351 1.00 0.00 C ATOM 832 C SER A 53 9.161 4.574 0.073 1.00 0.00 C ATOM 833 O SER A 53 10.008 3.735 -0.228 1.00 0.00 O ATOM 834 CB SER A 53 6.849 3.911 0.836 1.00 0.00 C ATOM 835 OG SER A 53 5.506 3.716 0.431 1.00 0.00 O ATOM 0 H SER A 53 8.040 2.446 -1.124 1.00 0.00 H new ATOM 0 HA SER A 53 7.310 5.305 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.248 2.986 1.251 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.891 4.660 1.627 1.00 0.00 H new ATOM 0 HG SER A 53 5.051 3.134 1.075 1.00 0.00 H new ATOM 841 N PRO A 54 9.478 5.690 0.757 1.00 0.00 N ATOM 842 CA PRO A 54 10.858 6.006 1.162 1.00 0.00 C ATOM 843 C PRO A 54 11.541 4.858 1.915 1.00 0.00 C ATOM 844 O PRO A 54 12.521 4.285 1.430 1.00 0.00 O ATOM 845 CB PRO A 54 10.692 7.225 2.067 1.00 0.00 C ATOM 846 CG PRO A 54 9.428 7.865 1.613 1.00 0.00 C ATOM 847 CD PRO A 54 8.530 6.742 1.175 1.00 0.00 C ATOM 0 HA PRO A 54 11.499 6.182 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.634 6.934 3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.537 7.907 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.970 8.439 2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.614 8.558 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.885 6.403 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.878 7.045 0.355 1.00 0.00 H new ATOM 855 N GLU A 55 11.019 4.514 3.088 1.00 0.00 N ATOM 856 CA GLU A 55 11.561 3.404 3.870 1.00 0.00 C ATOM 857 C GLU A 55 11.423 2.079 3.119 1.00 0.00 C ATOM 858 O GLU A 55 12.235 1.171 3.291 1.00 0.00 O ATOM 859 CB GLU A 55 10.879 3.310 5.238 1.00 0.00 C ATOM 860 CG GLU A 55 11.163 4.493 6.153 1.00 0.00 C ATOM 861 CD GLU A 55 10.118 5.589 6.055 1.00 0.00 C ATOM 862 OE1 GLU A 55 9.906 6.128 4.950 1.00 0.00 O ATOM 863 OE2 GLU A 55 9.513 5.928 7.093 1.00 0.00 O ATOM 0 H GLU A 55 10.223 4.985 3.519 1.00 0.00 H new ATOM 0 HA GLU A 55 12.622 3.601 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.802 3.228 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.204 2.395 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.217 4.142 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.140 4.908 5.906 1.00 0.00 H new ATOM 870 N LEU A 56 10.392 1.975 2.289 1.00 0.00 N ATOM 871 CA LEU A 56 10.175 0.781 1.475 1.00 0.00 C ATOM 872 C LEU A 56 11.338 0.600 0.494 1.00 0.00 C ATOM 873 O LEU A 56 11.854 -0.502 0.331 1.00 0.00 O ATOM 874 CB LEU A 56 8.822 0.888 0.743 1.00 0.00 C ATOM 875 CG LEU A 56 8.330 -0.368 -0.005 1.00 0.00 C ATOM 876 CD1 LEU A 56 9.036 -0.531 -1.346 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.528 -1.613 0.849 1.00 0.00 C ATOM 0 H LEU A 56 9.690 2.704 2.160 1.00 0.00 H new ATOM 0 HA LEU A 56 10.140 -0.101 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.063 1.167 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.889 1.706 0.025 1.00 0.00 H new ATOM 0 HG LEU A 56 7.265 -0.239 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.665 -1.426 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.839 0.341 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.110 -0.625 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.175 -2.488 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.587 -1.732 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.964 -1.511 1.776 1.00 0.00 H new ATOM 889 N ALA A 57 11.758 1.695 -0.131 1.00 0.00 N ATOM 890 CA ALA A 57 12.876 1.671 -1.066 1.00 0.00 C ATOM 891 C ALA A 57 14.165 1.295 -0.346 1.00 0.00 C ATOM 892 O ALA A 57 15.019 0.603 -0.899 1.00 0.00 O ATOM 893 CB ALA A 57 13.022 3.025 -1.741 1.00 0.00 C ATOM 0 H ALA A 57 11.337 2.616 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 57 12.677 0.919 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.860 2.996 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.107 3.261 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.204 3.790 -0.986 1.00 0.00 H new ATOM 899 N GLU A 58 14.286 1.753 0.897 1.00 0.00 N ATOM 900 CA GLU A 58 15.423 1.408 1.740 1.00 0.00 C ATOM 901 C GLU A 58 15.462 -0.103 1.940 1.00 0.00 C ATOM 902 O GLU A 58 16.480 -0.760 1.710 1.00 0.00 O ATOM 903 CB GLU A 58 15.288 2.098 3.098 1.00 0.00 C ATOM 904 CG GLU A 58 16.581 2.150 3.898 1.00 0.00 C ATOM 905 CD GLU A 58 17.644 3.006 3.241 1.00 0.00 C ATOM 906 OE1 GLU A 58 18.303 2.528 2.297 1.00 0.00 O ATOM 907 OE2 GLU A 58 17.833 4.163 3.676 1.00 0.00 O ATOM 0 H GLU A 58 13.605 2.368 1.343 1.00 0.00 H new ATOM 0 HA GLU A 58 16.343 1.739 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.928 3.115 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.531 1.578 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.371 2.540 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.964 1.138 4.026 1.00 0.00 H new ATOM 914 N LEU A 59 14.321 -0.632 2.360 1.00 0.00 N ATOM 915 CA LEU A 59 14.144 -2.063 2.581 1.00 0.00 C ATOM 916 C LEU A 59 14.406 -2.857 1.302 1.00 0.00 C ATOM 917 O LEU A 59 14.981 -3.944 1.343 1.00 0.00 O ATOM 918 CB LEU A 59 12.721 -2.333 3.080 1.00 0.00 C ATOM 919 CG LEU A 59 12.405 -3.792 3.401 1.00 0.00 C ATOM 920 CD1 LEU A 59 13.205 -4.255 4.605 1.00 0.00 C ATOM 921 CD2 LEU A 59 10.915 -3.977 3.640 1.00 0.00 C ATOM 0 H LEU A 59 13.487 -0.079 2.558 1.00 0.00 H new ATOM 0 HA LEU A 59 14.865 -2.386 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.549 -1.736 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.017 -1.984 2.324 1.00 0.00 H new ATOM 0 HG LEU A 59 12.690 -4.404 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.968 -5.297 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.270 -4.162 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.952 -3.639 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.710 -5.023 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.601 -3.355 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.364 -3.685 2.746 1.00 0.00 H new ATOM 933 N LEU A 60 13.978 -2.302 0.175 1.00 0.00 N ATOM 934 CA LEU A 60 14.152 -2.936 -1.127 1.00 0.00 C ATOM 935 C LEU A 60 15.629 -3.015 -1.518 1.00 0.00 C ATOM 936 O LEU A 60 16.082 -4.018 -2.072 1.00 0.00 O ATOM 937 CB LEU A 60 13.369 -2.155 -2.191 1.00 0.00 C ATOM 938 CG LEU A 60 13.508 -2.671 -3.626 1.00 0.00 C ATOM 939 CD1 LEU A 60 12.900 -4.059 -3.764 1.00 0.00 C ATOM 940 CD2 LEU A 60 12.855 -1.704 -4.602 1.00 0.00 C ATOM 0 H LEU A 60 13.501 -1.401 0.137 1.00 0.00 H new ATOM 0 HA LEU A 60 13.769 -3.954 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.313 -2.166 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.694 -1.115 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 60 14.570 -2.741 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.011 -4.404 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.411 -4.749 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.842 -4.020 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.962 -2.085 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.797 -1.604 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.338 -0.730 -4.527 1.00 0.00 H new ATOM 952 N ARG A 61 16.378 -1.958 -1.226 1.00 0.00 N ATOM 953 CA ARG A 61 17.785 -1.892 -1.605 1.00 0.00 C ATOM 954 C ARG A 61 18.629 -2.900 -0.829 1.00 0.00 C ATOM 955 O ARG A 61 19.413 -3.647 -1.417 1.00 0.00 O ATOM 956 CB ARG A 61 18.340 -0.483 -1.389 1.00 0.00 C ATOM 957 CG ARG A 61 17.926 0.521 -2.452 1.00 0.00 C ATOM 958 CD ARG A 61 18.399 0.094 -3.835 1.00 0.00 C ATOM 959 NE ARG A 61 19.848 -0.139 -3.881 1.00 0.00 N ATOM 960 CZ ARG A 61 20.483 -0.685 -4.923 1.00 0.00 C ATOM 961 NH1 ARG A 61 19.809 -1.005 -6.020 1.00 0.00 N ATOM 962 NH2 ARG A 61 21.797 -0.893 -4.880 1.00 0.00 N ATOM 0 H ARG A 61 16.035 -1.136 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 61 17.842 -2.143 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.010 -0.120 -0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 61 19.428 -0.534 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.841 0.625 -2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 61 18.340 1.500 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.877 -0.816 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 61 18.134 0.863 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 61 20.403 0.132 -3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.805 -0.834 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.295 -1.421 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 61 22.327 -0.635 -4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 61 22.274 -1.310 -5.679 1.00 0.00 H new ATOM 976 N GLN A 62 18.469 -2.922 0.488 1.00 0.00 N ATOM 977 CA GLN A 62 19.275 -3.796 1.337 1.00 0.00 C ATOM 978 C GLN A 62 18.669 -5.191 1.431 1.00 0.00 C ATOM 979 O GLN A 62 19.339 -6.137 1.848 1.00 0.00 O ATOM 980 CB GLN A 62 19.427 -3.210 2.745 1.00 0.00 C ATOM 981 CG GLN A 62 20.457 -2.092 2.859 1.00 0.00 C ATOM 982 CD GLN A 62 20.063 -0.836 2.109 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.413 -0.656 0.945 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.315 0.033 2.770 1.00 0.00 N ATOM 0 H GLN A 62 17.792 -2.348 0.992 1.00 0.00 H new ATOM 0 HA GLN A 62 20.259 -3.871 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.459 -2.830 3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.703 -4.012 3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.603 -1.848 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.414 -2.449 2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.047 -0.156 3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.007 0.891 2.314 1.00 0.00 H new ATOM 993 N GLN A 63 17.399 -5.309 1.051 1.00 0.00 N ATOM 994 CA GLN A 63 16.678 -6.579 1.115 1.00 0.00 C ATOM 995 C GLN A 63 16.713 -7.175 2.519 1.00 0.00 C ATOM 996 O GLN A 63 17.139 -8.311 2.712 1.00 0.00 O ATOM 997 CB GLN A 63 17.230 -7.577 0.096 1.00 0.00 C ATOM 998 CG GLN A 63 16.770 -7.302 -1.324 1.00 0.00 C ATOM 999 CD GLN A 63 17.306 -8.315 -2.309 1.00 0.00 C ATOM 1000 OE1 GLN A 63 18.360 -8.116 -2.913 1.00 0.00 O ATOM 1001 NE2 GLN A 63 16.586 -9.411 -2.481 1.00 0.00 N ATOM 0 H GLN A 63 16.843 -4.533 0.692 1.00 0.00 H new ATOM 0 HA GLN A 63 15.637 -6.372 0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 63 18.319 -7.554 0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.924 -8.584 0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.681 -7.308 -1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.093 -6.304 -1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.718 -9.538 -1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.899 -10.130 -3.134 1.00 0.00 H new ATOM 1010 N HIS A 64 16.260 -6.399 3.500 1.00 0.00 N ATOM 1011 CA HIS A 64 16.145 -6.900 4.871 1.00 0.00 C ATOM 1012 C HIS A 64 14.895 -7.763 5.006 1.00 0.00 C ATOM 1013 O HIS A 64 14.695 -8.450 6.007 1.00 0.00 O ATOM 1014 CB HIS A 64 16.108 -5.752 5.886 1.00 0.00 C ATOM 1015 CG HIS A 64 17.440 -5.110 6.134 1.00 0.00 C ATOM 1016 ND1 HIS A 64 17.675 -3.762 5.962 1.00 0.00 N ATOM 1017 CD2 HIS A 64 18.609 -5.638 6.565 1.00 0.00 C ATOM 1018 CE1 HIS A 64 18.928 -3.490 6.276 1.00 0.00 C ATOM 1019 NE2 HIS A 64 19.516 -4.612 6.644 1.00 0.00 N ATOM 0 H HIS A 64 15.968 -5.429 3.376 1.00 0.00 H new ATOM 0 HA HIS A 64 17.026 -7.505 5.085 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.411 -4.992 5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 64 15.717 -6.129 6.831 1.00 0.00 H new ATOM 0 HD2 HIS A 64 18.794 -6.675 6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 64 19.392 -2.516 6.238 1.00 0.00 H new ATOM 0 HE2 HIS A 64 20.488 -4.702 6.940 1.00 0.00 H new ATOM 1028 N SER A 65 14.054 -7.691 3.989 1.00 0.00 N ATOM 1029 CA SER A 65 12.884 -8.541 3.869 1.00 0.00 C ATOM 1030 C SER A 65 12.623 -8.791 2.390 1.00 0.00 C ATOM 1031 O SER A 65 12.732 -7.869 1.579 1.00 0.00 O ATOM 1032 CB SER A 65 11.669 -7.879 4.528 1.00 0.00 C ATOM 1033 OG SER A 65 11.926 -7.586 5.892 1.00 0.00 O ATOM 0 H SER A 65 14.166 -7.034 3.216 1.00 0.00 H new ATOM 0 HA SER A 65 13.059 -9.489 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.418 -6.961 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.805 -8.539 4.451 1.00 0.00 H new ATOM 0 HG SER A 65 11.127 -7.780 6.425 1.00 0.00 H new ATOM 1039 N ASP A 66 12.313 -10.026 2.028 1.00 0.00 N ATOM 1040 CA ASP A 66 12.140 -10.365 0.622 1.00 0.00 C ATOM 1041 C ASP A 66 10.760 -9.972 0.123 1.00 0.00 C ATOM 1042 O ASP A 66 9.744 -10.508 0.569 1.00 0.00 O ATOM 1043 CB ASP A 66 12.374 -11.852 0.371 1.00 0.00 C ATOM 1044 CG ASP A 66 12.157 -12.208 -1.084 1.00 0.00 C ATOM 1045 OD1 ASP A 66 12.819 -11.599 -1.948 1.00 0.00 O ATOM 1046 OD2 ASP A 66 11.326 -13.099 -1.366 1.00 0.00 O ATOM 0 H ASP A 66 12.177 -10.801 2.677 1.00 0.00 H new ATOM 0 HA ASP A 66 12.887 -9.798 0.067 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.390 -12.116 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.699 -12.438 0.995 1.00 0.00 H new ATOM 1051 N VAL A 67 10.739 -9.017 -0.788 1.00 0.00 N ATOM 1052 CA VAL A 67 9.507 -8.588 -1.427 1.00 0.00 C ATOM 1053 C VAL A 67 9.408 -9.185 -2.831 1.00 0.00 C ATOM 1054 O VAL A 67 8.316 -9.350 -3.369 1.00 0.00 O ATOM 1055 CB VAL A 67 9.428 -7.042 -1.494 1.00 0.00 C ATOM 1056 CG1 VAL A 67 10.570 -6.470 -2.320 1.00 0.00 C ATOM 1057 CG2 VAL A 67 8.083 -6.581 -2.041 1.00 0.00 C ATOM 0 H VAL A 67 11.570 -8.518 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 67 8.668 -8.945 -0.830 1.00 0.00 H new ATOM 0 HB VAL A 67 9.524 -6.664 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.489 -5.383 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.522 -6.751 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.519 -6.865 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.058 -5.492 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.943 -6.979 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.284 -6.941 -1.393 1.00 0.00 H new ATOM 1067 N ARG A 68 10.569 -9.546 -3.388 1.00 0.00 N ATOM 1068 CA ARG A 68 10.671 -10.063 -4.754 1.00 0.00 C ATOM 1069 C ARG A 68 10.101 -9.090 -5.783 1.00 0.00 C ATOM 1070 O ARG A 68 8.895 -9.059 -6.034 1.00 0.00 O ATOM 1071 CB ARG A 68 9.997 -11.429 -4.877 1.00 0.00 C ATOM 1072 CG ARG A 68 10.962 -12.590 -4.714 1.00 0.00 C ATOM 1073 CD ARG A 68 10.229 -13.913 -4.594 1.00 0.00 C ATOM 1074 NE ARG A 68 9.570 -14.051 -3.297 1.00 0.00 N ATOM 1075 CZ ARG A 68 8.516 -14.832 -3.075 1.00 0.00 C ATOM 1076 NH1 ARG A 68 7.963 -15.499 -4.079 1.00 0.00 N ATOM 1077 NH2 ARG A 68 8.004 -14.925 -1.852 1.00 0.00 N ATOM 0 H ARG A 68 11.464 -9.487 -2.903 1.00 0.00 H new ATOM 0 HA ARG A 68 11.733 -10.179 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.213 -11.509 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.513 -11.502 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.638 -12.624 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.576 -12.432 -3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.487 -13.991 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.933 -14.733 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 68 9.941 -13.515 -2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.346 -15.413 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.155 -16.098 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.419 -14.398 -1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.196 -15.524 -1.682 1.00 0.00 H new ATOM 1091 N PRO A 69 10.972 -8.274 -6.393 1.00 0.00 N ATOM 1092 CA PRO A 69 10.568 -7.326 -7.429 1.00 0.00 C ATOM 1093 C PRO A 69 10.226 -8.028 -8.740 1.00 0.00 C ATOM 1094 O PRO A 69 11.008 -8.018 -9.692 1.00 0.00 O ATOM 1095 CB PRO A 69 11.794 -6.428 -7.595 1.00 0.00 C ATOM 1096 CG PRO A 69 12.947 -7.274 -7.169 1.00 0.00 C ATOM 1097 CD PRO A 69 12.420 -8.211 -6.117 1.00 0.00 C ATOM 0 HA PRO A 69 9.667 -6.776 -7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.906 -6.098 -8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.713 -5.531 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.355 -7.829 -8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.754 -6.659 -6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.884 -9.195 -6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 69 12.620 -7.837 -5.113 1.00 0.00 H new ATOM 1105 N SER A 70 9.071 -8.671 -8.766 1.00 0.00 N ATOM 1106 CA SER A 70 8.606 -9.358 -9.953 1.00 0.00 C ATOM 1107 C SER A 70 7.086 -9.262 -10.042 1.00 0.00 C ATOM 1108 O SER A 70 6.368 -9.816 -9.208 1.00 0.00 O ATOM 1109 CB SER A 70 9.048 -10.825 -9.929 1.00 0.00 C ATOM 1110 OG SER A 70 8.841 -11.446 -11.187 1.00 0.00 O ATOM 0 H SER A 70 8.436 -8.730 -7.970 1.00 0.00 H new ATOM 0 HA SER A 70 9.043 -8.883 -10.831 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.103 -10.885 -9.661 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.492 -11.362 -9.160 1.00 0.00 H new ATOM 0 HG SER A 70 9.133 -12.380 -11.143 1.00 0.00 H new ATOM 1116 N ARG A 71 6.608 -8.537 -11.042 1.00 0.00 N ATOM 1117 CA ARG A 71 5.182 -8.341 -11.239 1.00 0.00 C ATOM 1118 C ARG A 71 4.918 -8.068 -12.713 1.00 0.00 C ATOM 1119 O ARG A 71 5.649 -7.306 -13.345 1.00 0.00 O ATOM 1120 CB ARG A 71 4.686 -7.173 -10.378 1.00 0.00 C ATOM 1121 CG ARG A 71 3.197 -7.216 -10.062 1.00 0.00 C ATOM 1122 CD ARG A 71 2.816 -8.521 -9.378 1.00 0.00 C ATOM 1123 NE ARG A 71 1.604 -8.392 -8.565 1.00 0.00 N ATOM 1124 CZ ARG A 71 0.646 -9.322 -8.491 1.00 0.00 C ATOM 1125 NH1 ARG A 71 0.698 -10.400 -9.268 1.00 0.00 N ATOM 1126 NH2 ARG A 71 -0.374 -9.162 -7.651 1.00 0.00 N ATOM 0 H ARG A 71 7.194 -8.071 -11.735 1.00 0.00 H new ATOM 0 HA ARG A 71 4.642 -9.239 -10.937 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.244 -7.164 -9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.910 -6.238 -10.891 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.935 -6.376 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.624 -7.104 -10.982 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.664 -9.293 -10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.641 -8.851 -8.746 1.00 0.00 H new ATOM 0 HE ARG A 71 1.483 -7.538 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.471 -10.520 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.035 -11.107 -9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.425 -8.330 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.105 -9.872 -7.595 1.00 0.00 H new ATOM 1140 N HIS A 72 3.882 -8.699 -13.250 1.00 0.00 N ATOM 1141 CA HIS A 72 3.565 -8.610 -14.673 1.00 0.00 C ATOM 1142 C HIS A 72 3.133 -7.193 -15.057 1.00 0.00 C ATOM 1143 O HIS A 72 3.214 -6.807 -16.221 1.00 0.00 O ATOM 1144 CB HIS A 72 2.460 -9.614 -15.017 1.00 0.00 C ATOM 1145 CG HIS A 72 2.282 -9.856 -16.486 1.00 0.00 C ATOM 1146 ND1 HIS A 72 1.281 -9.274 -17.227 1.00 0.00 N ATOM 1147 CD2 HIS A 72 2.972 -10.645 -17.344 1.00 0.00 C ATOM 1148 CE1 HIS A 72 1.362 -9.691 -18.475 1.00 0.00 C ATOM 1149 NE2 HIS A 72 2.378 -10.525 -18.576 1.00 0.00 N ATOM 0 H HIS A 72 3.240 -9.285 -12.716 1.00 0.00 H new ATOM 0 HA HIS A 72 4.463 -8.849 -15.243 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.682 -10.563 -14.529 1.00 0.00 H new ATOM 0 HB3 HIS A 72 1.518 -9.255 -14.603 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.830 -11.255 -17.104 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.705 -9.398 -19.281 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.674 -11.002 -19.428 1.00 0.00 H new ATOM 1158 N LEU A 73 2.677 -6.430 -14.067 1.00 0.00 N ATOM 1159 CA LEU A 73 2.271 -5.044 -14.282 1.00 0.00 C ATOM 1160 C LEU A 73 3.481 -4.186 -14.645 1.00 0.00 C ATOM 1161 O LEU A 73 3.690 -3.845 -15.809 1.00 0.00 O ATOM 1162 CB LEU A 73 1.594 -4.483 -13.024 1.00 0.00 C ATOM 1163 CG LEU A 73 0.359 -5.250 -12.548 1.00 0.00 C ATOM 1164 CD1 LEU A 73 -0.146 -4.684 -11.231 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -0.739 -5.203 -13.600 1.00 0.00 C ATOM 0 H LEU A 73 2.579 -6.750 -13.104 1.00 0.00 H new ATOM 0 HA LEU A 73 1.559 -5.019 -15.107 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.325 -4.466 -12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.307 -3.449 -13.216 1.00 0.00 H new ATOM 0 HG LEU A 73 0.643 -6.291 -12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.025 -5.242 -10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.635 -4.768 -10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.411 -3.635 -11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.609 -5.754 -13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.018 -4.166 -13.788 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.377 -5.655 -14.524 1.00 0.00 H new ATOM 1177 N ASN A 74 4.269 -3.848 -13.633 1.00 0.00 N ATOM 1178 CA ASN A 74 5.508 -3.106 -13.816 1.00 0.00 C ATOM 1179 C ASN A 74 6.357 -3.244 -12.559 1.00 0.00 C ATOM 1180 O ASN A 74 6.174 -2.507 -11.593 1.00 0.00 O ATOM 1181 CB ASN A 74 5.238 -1.624 -14.111 1.00 0.00 C ATOM 1182 CG ASN A 74 6.494 -0.868 -14.513 1.00 0.00 C ATOM 1183 OD1 ASN A 74 7.603 -1.185 -14.082 1.00 0.00 O ATOM 1184 ND2 ASN A 74 6.328 0.147 -15.344 1.00 0.00 N ATOM 0 H ASN A 74 4.066 -4.081 -12.661 1.00 0.00 H new ATOM 0 HA ASN A 74 6.039 -3.519 -14.674 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.500 -1.545 -14.909 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.804 -1.155 -13.228 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.133 0.695 -15.647 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.395 0.382 -15.682 1.00 0.00 H new ATOM 1191 N LYS A 75 7.268 -4.205 -12.582 1.00 0.00 N ATOM 1192 CA LYS A 75 8.103 -4.520 -11.423 1.00 0.00 C ATOM 1193 C LYS A 75 9.083 -3.391 -11.098 1.00 0.00 C ATOM 1194 O LYS A 75 9.561 -3.280 -9.972 1.00 0.00 O ATOM 1195 CB LYS A 75 8.843 -5.849 -11.654 1.00 0.00 C ATOM 1196 CG LYS A 75 9.621 -5.925 -12.963 1.00 0.00 C ATOM 1197 CD LYS A 75 11.011 -5.313 -12.844 1.00 0.00 C ATOM 1198 CE LYS A 75 11.759 -5.379 -14.163 1.00 0.00 C ATOM 1199 NZ LYS A 75 13.173 -4.936 -14.032 1.00 0.00 N ATOM 0 H LYS A 75 7.452 -4.788 -13.398 1.00 0.00 H new ATOM 0 HA LYS A 75 7.450 -4.626 -10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.533 -6.014 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.118 -6.662 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.710 -6.967 -13.271 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.064 -5.408 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.927 -4.275 -12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.578 -5.839 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.734 -6.401 -14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.251 -4.754 -14.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.643 -4.998 -14.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.199 -3.952 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.667 -5.548 -13.351 1.00 0.00 H new ATOM 1213 N ALA A 76 9.380 -2.559 -12.088 1.00 0.00 N ATOM 1214 CA ALA A 76 10.395 -1.523 -11.934 1.00 0.00 C ATOM 1215 C ALA A 76 9.819 -0.233 -11.352 1.00 0.00 C ATOM 1216 O ALA A 76 10.520 0.772 -11.250 1.00 0.00 O ATOM 1217 CB ALA A 76 11.061 -1.242 -13.271 1.00 0.00 C ATOM 0 H ALA A 76 8.934 -2.581 -13.005 1.00 0.00 H new ATOM 0 HA ALA A 76 11.137 -1.896 -11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.817 -0.467 -13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.533 -2.152 -13.641 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.312 -0.905 -13.987 1.00 0.00 H new ATOM 1223 N HIS A 77 8.545 -0.255 -10.980 1.00 0.00 N ATOM 1224 CA HIS A 77 7.898 0.924 -10.403 1.00 0.00 C ATOM 1225 C HIS A 77 6.872 0.524 -9.352 1.00 0.00 C ATOM 1226 O HIS A 77 6.759 1.163 -8.305 1.00 0.00 O ATOM 1227 CB HIS A 77 7.247 1.782 -11.494 1.00 0.00 C ATOM 1228 CG HIS A 77 8.234 2.627 -12.240 1.00 0.00 C ATOM 1229 ND1 HIS A 77 8.618 2.380 -13.541 1.00 0.00 N ATOM 1230 CD2 HIS A 77 8.929 3.723 -11.850 1.00 0.00 C ATOM 1231 CE1 HIS A 77 9.509 3.281 -13.912 1.00 0.00 C ATOM 1232 NE2 HIS A 77 9.717 4.108 -12.908 1.00 0.00 N ATOM 0 H HIS A 77 7.939 -1.071 -11.066 1.00 0.00 H new ATOM 0 HA HIS A 77 8.669 1.521 -9.915 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.728 1.132 -12.198 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.494 2.427 -11.041 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.874 4.205 -10.885 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.988 3.332 -14.879 1.00 0.00 H new ATOM 0 HE2 HIS A 77 10.357 4.902 -12.915 1.00 0.00 H new ATOM 1241 N TRP A 78 6.126 -0.530 -9.639 1.00 0.00 N ATOM 1242 CA TRP A 78 5.199 -1.091 -8.676 1.00 0.00 C ATOM 1243 C TRP A 78 5.827 -2.315 -8.029 1.00 0.00 C ATOM 1244 O TRP A 78 6.404 -3.161 -8.712 1.00 0.00 O ATOM 1245 CB TRP A 78 3.874 -1.477 -9.342 1.00 0.00 C ATOM 1246 CG TRP A 78 3.035 -0.307 -9.763 1.00 0.00 C ATOM 1247 CD1 TRP A 78 3.088 0.358 -10.953 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.002 0.323 -8.994 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.156 1.367 -10.970 1.00 0.00 N ATOM 1250 CE2 TRP A 78 1.476 1.364 -9.779 1.00 0.00 C ATOM 1251 CE3 TRP A 78 1.469 0.106 -7.717 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.445 2.187 -9.330 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 0.447 0.925 -7.274 1.00 0.00 C ATOM 1254 CH2 TRP A 78 -0.058 1.952 -8.078 1.00 0.00 C ATOM 0 H TRP A 78 6.146 -1.015 -10.536 1.00 0.00 H new ATOM 0 HA TRP A 78 4.987 -0.337 -7.918 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.085 -2.092 -10.217 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.298 -2.093 -8.651 1.00 0.00 H new ATOM 0 HD1 TRP A 78 3.764 0.125 -11.763 1.00 0.00 H new ATOM 0 HE1 TRP A 78 1.996 2.013 -11.743 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.849 -0.687 -7.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.056 2.983 -9.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.031 0.769 -6.290 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.860 2.572 -7.704 1.00 0.00 H new ATOM 1265 N SER A 79 5.712 -2.414 -6.722 1.00 0.00 N ATOM 1266 CA SER A 79 6.267 -3.545 -6.007 1.00 0.00 C ATOM 1267 C SER A 79 5.183 -4.213 -5.180 1.00 0.00 C ATOM 1268 O SER A 79 4.492 -3.564 -4.397 1.00 0.00 O ATOM 1269 CB SER A 79 7.416 -3.100 -5.105 1.00 0.00 C ATOM 1270 OG SER A 79 8.363 -2.327 -5.823 1.00 0.00 O ATOM 0 H SER A 79 5.241 -1.727 -6.133 1.00 0.00 H new ATOM 0 HA SER A 79 6.656 -4.259 -6.732 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.023 -2.517 -4.272 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.906 -3.975 -4.678 1.00 0.00 H new ATOM 0 HG SER A 79 9.087 -2.054 -5.221 1.00 0.00 H new ATOM 1276 N THR A 80 5.031 -5.505 -5.372 1.00 0.00 N ATOM 1277 CA THR A 80 3.995 -6.253 -4.695 1.00 0.00 C ATOM 1278 C THR A 80 4.597 -7.091 -3.581 1.00 0.00 C ATOM 1279 O THR A 80 5.486 -7.906 -3.815 1.00 0.00 O ATOM 1280 CB THR A 80 3.230 -7.152 -5.684 1.00 0.00 C ATOM 1281 OG1 THR A 80 2.721 -6.349 -6.759 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.079 -7.872 -4.994 1.00 0.00 C ATOM 0 H THR A 80 5.616 -6.062 -5.995 1.00 0.00 H new ATOM 0 HA THR A 80 3.289 -5.544 -4.263 1.00 0.00 H new ATOM 0 HB THR A 80 3.918 -7.903 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.868 -5.947 -6.491 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.557 -8.499 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.470 -8.494 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.386 -7.139 -4.582 1.00 0.00 H new ATOM 1290 N VAL A 81 4.115 -6.871 -2.371 1.00 0.00 N ATOM 1291 CA VAL A 81 4.614 -7.585 -1.216 1.00 0.00 C ATOM 1292 C VAL A 81 3.883 -8.909 -1.072 1.00 0.00 C ATOM 1293 O VAL A 81 2.681 -8.939 -0.796 1.00 0.00 O ATOM 1294 CB VAL A 81 4.440 -6.761 0.078 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.033 -7.494 1.273 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.066 -5.382 -0.075 1.00 0.00 C ATOM 0 H VAL A 81 3.375 -6.200 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 81 5.679 -7.762 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 81 3.372 -6.633 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.898 -6.893 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.530 -8.453 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.097 -7.662 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.932 -4.817 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.130 -5.487 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.584 -4.853 -0.897 1.00 0.00 H new ATOM 1306 N TYR A 82 4.602 -9.995 -1.297 1.00 0.00 N ATOM 1307 CA TYR A 82 4.038 -11.325 -1.158 1.00 0.00 C ATOM 1308 C TYR A 82 4.200 -11.803 0.277 1.00 0.00 C ATOM 1309 O TYR A 82 5.268 -12.264 0.672 1.00 0.00 O ATOM 1310 CB TYR A 82 4.717 -12.301 -2.126 1.00 0.00 C ATOM 1311 CG TYR A 82 4.617 -11.882 -3.577 1.00 0.00 C ATOM 1312 CD1 TYR A 82 3.502 -12.207 -4.340 1.00 0.00 C ATOM 1313 CD2 TYR A 82 5.636 -11.154 -4.182 1.00 0.00 C ATOM 1314 CE1 TYR A 82 3.406 -11.821 -5.663 1.00 0.00 C ATOM 1315 CE2 TYR A 82 5.545 -10.763 -5.502 1.00 0.00 C ATOM 1316 CZ TYR A 82 4.430 -11.098 -6.237 1.00 0.00 C ATOM 1317 OH TYR A 82 4.339 -10.709 -7.553 1.00 0.00 O ATOM 0 H TYR A 82 5.582 -9.981 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 82 2.977 -11.286 -1.403 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.769 -12.396 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.268 -13.287 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.697 -12.771 -3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.513 -10.890 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.534 -12.084 -6.244 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.345 -10.197 -5.957 1.00 0.00 H new ATOM 0 HH TYR A 82 5.221 -10.426 -7.872 1.00 0.00 H new ATOM 1327 N LEU A 83 3.142 -11.661 1.064 1.00 0.00 N ATOM 1328 CA LEU A 83 3.174 -12.041 2.471 1.00 0.00 C ATOM 1329 C LEU A 83 2.459 -13.370 2.688 1.00 0.00 C ATOM 1330 O LEU A 83 1.807 -13.581 3.710 1.00 0.00 O ATOM 1331 CB LEU A 83 2.537 -10.948 3.339 1.00 0.00 C ATOM 1332 CG LEU A 83 1.181 -10.418 2.858 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.235 -10.238 4.033 1.00 0.00 C ATOM 1334 CD2 LEU A 83 1.362 -9.094 2.130 1.00 0.00 C ATOM 0 H LEU A 83 2.247 -11.284 0.751 1.00 0.00 H new ATOM 0 HA LEU A 83 4.217 -12.158 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.415 -11.338 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.231 -10.110 3.402 1.00 0.00 H new ATOM 0 HG LEU A 83 0.751 -11.145 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.723 -9.861 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.085 -11.197 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.663 -9.527 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.392 -8.728 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.810 -8.365 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.014 -9.239 1.269 1.00 0.00 H new ATOM 1346 N ASP A 84 2.611 -14.276 1.730 1.00 0.00 N ATOM 1347 CA ASP A 84 1.945 -15.575 1.788 1.00 0.00 C ATOM 1348 C ASP A 84 2.670 -16.522 2.742 1.00 0.00 C ATOM 1349 O ASP A 84 2.062 -17.434 3.303 1.00 0.00 O ATOM 1350 CB ASP A 84 1.868 -16.206 0.392 1.00 0.00 C ATOM 1351 CG ASP A 84 3.225 -16.631 -0.138 1.00 0.00 C ATOM 1352 OD1 ASP A 84 3.936 -15.780 -0.715 1.00 0.00 O ATOM 1353 OD2 ASP A 84 3.593 -17.812 0.026 1.00 0.00 O ATOM 0 H ASP A 84 3.190 -14.137 0.902 1.00 0.00 H new ATOM 0 HA ASP A 84 0.934 -15.412 2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.209 -17.073 0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.420 -15.493 -0.300 1.00 0.00 H new ATOM 1358 N GLY A 85 3.970 -16.319 2.913 1.00 0.00 N ATOM 1359 CA GLY A 85 4.737 -17.164 3.807 1.00 0.00 C ATOM 1360 C GLY A 85 5.920 -16.434 4.400 1.00 0.00 C ATOM 1361 O GLY A 85 6.928 -17.050 4.756 1.00 0.00 O ATOM 0 H GLY A 85 4.506 -15.586 2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.092 -17.522 4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.088 -18.042 3.264 1.00 0.00 H new ATOM 1365 N SER A 86 5.791 -15.122 4.504 1.00 0.00 N ATOM 1366 CA SER A 86 6.850 -14.278 5.027 1.00 0.00 C ATOM 1367 C SER A 86 6.278 -12.900 5.344 1.00 0.00 C ATOM 1368 O SER A 86 5.057 -12.725 5.339 1.00 0.00 O ATOM 1369 CB SER A 86 7.990 -14.169 4.006 1.00 0.00 C ATOM 1370 OG SER A 86 9.153 -13.597 4.588 1.00 0.00 O ATOM 0 H SER A 86 4.951 -14.614 4.229 1.00 0.00 H new ATOM 0 HA SER A 86 7.253 -14.717 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.226 -15.159 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.667 -13.561 3.161 1.00 0.00 H new ATOM 0 HG SER A 86 9.145 -13.752 5.556 1.00 0.00 H new ATOM 1376 N LEU A 87 7.163 -11.937 5.596 1.00 0.00 N ATOM 1377 CA LEU A 87 6.785 -10.568 5.934 1.00 0.00 C ATOM 1378 C LEU A 87 6.000 -10.507 7.243 1.00 0.00 C ATOM 1379 O LEU A 87 4.789 -10.744 7.274 1.00 0.00 O ATOM 1380 CB LEU A 87 5.992 -9.906 4.800 1.00 0.00 C ATOM 1381 CG LEU A 87 6.807 -9.480 3.568 1.00 0.00 C ATOM 1382 CD1 LEU A 87 7.988 -8.612 3.978 1.00 0.00 C ATOM 1383 CD2 LEU A 87 7.279 -10.684 2.765 1.00 0.00 C ATOM 0 H LEU A 87 8.172 -12.088 5.571 1.00 0.00 H new ATOM 0 HA LEU A 87 7.711 -10.009 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.214 -10.597 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.489 -9.026 5.201 1.00 0.00 H new ATOM 0 HG LEU A 87 6.150 -8.892 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.551 -8.322 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.624 -7.719 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.636 -9.173 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.852 -10.344 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.908 -11.316 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.416 -11.256 2.425 1.00 0.00 H new ATOM 1395 N PRO A 88 6.692 -10.185 8.349 1.00 0.00 N ATOM 1396 CA PRO A 88 6.065 -10.067 9.670 1.00 0.00 C ATOM 1397 C PRO A 88 4.993 -8.982 9.699 1.00 0.00 C ATOM 1398 O PRO A 88 5.058 -8.011 8.939 1.00 0.00 O ATOM 1399 CB PRO A 88 7.227 -9.687 10.596 1.00 0.00 C ATOM 1400 CG PRO A 88 8.459 -10.086 9.857 1.00 0.00 C ATOM 1401 CD PRO A 88 8.137 -9.917 8.401 1.00 0.00 C ATOM 0 HA PRO A 88 5.559 -10.988 9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.226 -8.619 10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.155 -10.206 11.552 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.306 -9.463 10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.731 -11.118 10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.374 -8.913 8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.699 -10.614 7.780 1.00 0.00 H new ATOM 1409 N ASP A 89 4.024 -9.142 10.591 1.00 0.00 N ATOM 1410 CA ASP A 89 2.895 -8.220 10.685 1.00 0.00 C ATOM 1411 C ASP A 89 3.382 -6.808 10.954 1.00 0.00 C ATOM 1412 O ASP A 89 2.954 -5.859 10.303 1.00 0.00 O ATOM 1413 CB ASP A 89 1.940 -8.640 11.803 1.00 0.00 C ATOM 1414 CG ASP A 89 1.496 -10.082 11.688 1.00 0.00 C ATOM 1415 OD1 ASP A 89 0.540 -10.360 10.939 1.00 0.00 O ATOM 1416 OD2 ASP A 89 2.103 -10.943 12.358 1.00 0.00 O ATOM 0 H ASP A 89 3.996 -9.907 11.265 1.00 0.00 H new ATOM 0 HA ASP A 89 2.365 -8.248 9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.428 -8.491 12.766 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.063 -7.993 11.787 1.00 0.00 H new ATOM 1421 N SER A 90 4.296 -6.684 11.908 1.00 0.00 N ATOM 1422 CA SER A 90 4.834 -5.391 12.300 1.00 0.00 C ATOM 1423 C SER A 90 5.590 -4.735 11.143 1.00 0.00 C ATOM 1424 O SER A 90 5.608 -3.510 11.017 1.00 0.00 O ATOM 1425 CB SER A 90 5.748 -5.568 13.510 1.00 0.00 C ATOM 1426 OG SER A 90 5.090 -6.316 14.521 1.00 0.00 O ATOM 0 H SER A 90 4.682 -7.472 12.428 1.00 0.00 H new ATOM 0 HA SER A 90 4.008 -4.732 12.567 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.664 -6.077 13.210 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.038 -4.593 13.901 1.00 0.00 H new ATOM 0 HG SER A 90 5.688 -6.423 15.290 1.00 0.00 H new ATOM 1432 N GLN A 91 6.191 -5.558 10.290 1.00 0.00 N ATOM 1433 CA GLN A 91 6.941 -5.057 9.144 1.00 0.00 C ATOM 1434 C GLN A 91 5.981 -4.432 8.135 1.00 0.00 C ATOM 1435 O GLN A 91 6.223 -3.341 7.619 1.00 0.00 O ATOM 1436 CB GLN A 91 7.733 -6.199 8.496 1.00 0.00 C ATOM 1437 CG GLN A 91 8.793 -5.743 7.503 1.00 0.00 C ATOM 1438 CD GLN A 91 9.978 -5.059 8.168 1.00 0.00 C ATOM 1439 OE1 GLN A 91 9.840 -4.404 9.203 1.00 0.00 O ATOM 1440 NE2 GLN A 91 11.156 -5.223 7.586 1.00 0.00 N ATOM 0 H GLN A 91 6.173 -6.575 10.371 1.00 0.00 H new ATOM 0 HA GLN A 91 7.645 -4.295 9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.214 -6.782 9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.037 -6.864 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.148 -6.605 6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.340 -5.057 6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.230 -5.772 6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.990 -4.800 7.994 1.00 0.00 H new ATOM 1449 N ILE A 92 4.878 -5.126 7.877 1.00 0.00 N ATOM 1450 CA ILE A 92 3.841 -4.627 6.981 1.00 0.00 C ATOM 1451 C ILE A 92 3.174 -3.395 7.587 1.00 0.00 C ATOM 1452 O ILE A 92 2.942 -2.400 6.901 1.00 0.00 O ATOM 1453 CB ILE A 92 2.775 -5.709 6.706 1.00 0.00 C ATOM 1454 CG1 ILE A 92 3.440 -6.977 6.169 1.00 0.00 C ATOM 1455 CG2 ILE A 92 1.733 -5.198 5.719 1.00 0.00 C ATOM 1456 CD1 ILE A 92 2.492 -8.145 6.030 1.00 0.00 C ATOM 0 H ILE A 92 4.678 -6.042 8.279 1.00 0.00 H new ATOM 0 HA ILE A 92 4.313 -4.359 6.036 1.00 0.00 H new ATOM 0 HB ILE A 92 2.271 -5.946 7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.882 -6.761 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.256 -7.259 6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.991 -5.976 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.242 -4.317 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.220 -4.936 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.033 -9.009 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.068 -8.388 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.689 -7.882 5.341 1.00 0.00 H new ATOM 1468 N TYR A 93 2.889 -3.480 8.883 1.00 0.00 N ATOM 1469 CA TYR A 93 2.324 -2.372 9.654 1.00 0.00 C ATOM 1470 C TYR A 93 3.141 -1.101 9.428 1.00 0.00 C ATOM 1471 O TYR A 93 2.597 -0.020 9.207 1.00 0.00 O ATOM 1472 CB TYR A 93 2.340 -2.763 11.138 1.00 0.00 C ATOM 1473 CG TYR A 93 1.548 -1.865 12.068 1.00 0.00 C ATOM 1474 CD1 TYR A 93 2.106 -0.712 12.609 1.00 0.00 C ATOM 1475 CD2 TYR A 93 0.249 -2.194 12.429 1.00 0.00 C ATOM 1476 CE1 TYR A 93 1.388 0.087 13.479 1.00 0.00 C ATOM 1477 CE2 TYR A 93 -0.474 -1.404 13.302 1.00 0.00 C ATOM 1478 CZ TYR A 93 0.099 -0.263 13.824 1.00 0.00 C ATOM 1479 OH TYR A 93 -0.620 0.524 14.698 1.00 0.00 O ATOM 0 H TYR A 93 3.044 -4.325 9.434 1.00 0.00 H new ATOM 0 HA TYR A 93 1.301 -2.174 9.333 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.955 -3.779 11.230 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.376 -2.782 11.478 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.116 -0.436 12.345 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.205 -3.084 12.020 1.00 0.00 H new ATOM 0 HE1 TYR A 93 1.834 0.982 13.887 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.482 -1.678 13.574 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.509 0.135 14.832 1.00 0.00 H new ATOM 1489 N TYR A 94 4.456 -1.265 9.456 1.00 0.00 N ATOM 1490 CA TYR A 94 5.394 -0.168 9.265 1.00 0.00 C ATOM 1491 C TYR A 94 5.348 0.361 7.826 1.00 0.00 C ATOM 1492 O TYR A 94 5.342 1.574 7.595 1.00 0.00 O ATOM 1493 CB TYR A 94 6.803 -0.665 9.607 1.00 0.00 C ATOM 1494 CG TYR A 94 7.885 0.388 9.558 1.00 0.00 C ATOM 1495 CD1 TYR A 94 8.064 1.276 10.610 1.00 0.00 C ATOM 1496 CD2 TYR A 94 8.746 0.477 8.471 1.00 0.00 C ATOM 1497 CE1 TYR A 94 9.071 2.220 10.582 1.00 0.00 C ATOM 1498 CE2 TYR A 94 9.752 1.422 8.433 1.00 0.00 C ATOM 1499 CZ TYR A 94 9.909 2.291 9.491 1.00 0.00 C ATOM 1500 OH TYR A 94 10.916 3.225 9.464 1.00 0.00 O ATOM 0 H TYR A 94 4.904 -2.168 9.613 1.00 0.00 H new ATOM 0 HA TYR A 94 5.118 0.657 9.922 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.785 -1.099 10.607 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.066 -1.466 8.916 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.405 1.228 11.464 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.626 -0.205 7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.201 2.899 11.411 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.412 1.480 7.580 1.00 0.00 H new ATOM 0 HH TYR A 94 11.667 2.881 8.937 1.00 0.00 H new ATOM 1510 N LEU A 95 5.304 -0.557 6.863 1.00 0.00 N ATOM 1511 CA LEU A 95 5.376 -0.202 5.447 1.00 0.00 C ATOM 1512 C LEU A 95 4.094 0.466 4.947 1.00 0.00 C ATOM 1513 O LEU A 95 4.148 1.410 4.156 1.00 0.00 O ATOM 1514 CB LEU A 95 5.671 -1.446 4.603 1.00 0.00 C ATOM 1515 CG LEU A 95 7.009 -2.127 4.897 1.00 0.00 C ATOM 1516 CD1 LEU A 95 7.168 -3.373 4.038 1.00 0.00 C ATOM 1517 CD2 LEU A 95 8.165 -1.164 4.661 1.00 0.00 C ATOM 0 H LEU A 95 5.218 -1.558 7.039 1.00 0.00 H new ATOM 0 HA LEU A 95 6.186 0.519 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.871 -2.170 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.647 -1.166 3.550 1.00 0.00 H new ATOM 0 HG LEU A 95 7.022 -2.425 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.125 -3.847 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.359 -4.070 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.135 -3.095 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.108 -1.668 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.158 -0.835 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.058 -0.300 5.316 1.00 0.00 H new ATOM 1529 N VAL A 96 2.946 -0.023 5.402 1.00 0.00 N ATOM 1530 CA VAL A 96 1.661 0.508 4.952 1.00 0.00 C ATOM 1531 C VAL A 96 1.491 1.971 5.359 1.00 0.00 C ATOM 1532 O VAL A 96 1.076 2.805 4.550 1.00 0.00 O ATOM 1533 CB VAL A 96 0.478 -0.328 5.490 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -0.855 0.301 5.104 1.00 0.00 C ATOM 1535 CG2 VAL A 96 0.557 -1.751 4.962 1.00 0.00 C ATOM 0 H VAL A 96 2.877 -0.783 6.079 1.00 0.00 H new ATOM 0 HA VAL A 96 1.658 0.445 3.864 1.00 0.00 H new ATOM 0 HB VAL A 96 0.544 -0.348 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.671 -0.307 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.918 1.305 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.931 0.355 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.282 -2.330 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.518 -1.738 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.492 -2.208 5.286 1.00 0.00 H new ATOM 1545 N ASP A 97 1.841 2.288 6.596 1.00 0.00 N ATOM 1546 CA ASP A 97 1.708 3.655 7.088 1.00 0.00 C ATOM 1547 C ASP A 97 2.676 4.587 6.370 1.00 0.00 C ATOM 1548 O ASP A 97 2.374 5.755 6.145 1.00 0.00 O ATOM 1549 CB ASP A 97 1.938 3.723 8.597 1.00 0.00 C ATOM 1550 CG ASP A 97 0.723 4.256 9.325 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.459 5.473 9.252 1.00 0.00 O ATOM 1552 OD2 ASP A 97 0.004 3.453 9.953 1.00 0.00 O ATOM 0 H ASP A 97 2.216 1.625 7.274 1.00 0.00 H new ATOM 0 HA ASP A 97 0.689 3.981 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.181 2.729 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.796 4.361 8.806 1.00 0.00 H new ATOM 1557 N ALA A 98 3.834 4.053 5.988 1.00 0.00 N ATOM 1558 CA ALA A 98 4.823 4.826 5.243 1.00 0.00 C ATOM 1559 C ALA A 98 4.296 5.160 3.851 1.00 0.00 C ATOM 1560 O ALA A 98 4.623 6.198 3.274 1.00 0.00 O ATOM 1561 CB ALA A 98 6.136 4.060 5.146 1.00 0.00 C ATOM 0 H ALA A 98 4.109 3.090 6.182 1.00 0.00 H new ATOM 0 HA ALA A 98 5.008 5.758 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.862 4.651 4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.519 3.867 6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.968 3.113 4.633 1.00 0.00 H new ATOM 1567 N SER A 99 3.467 4.272 3.324 1.00 0.00 N ATOM 1568 CA SER A 99 2.863 4.468 2.019 1.00 0.00 C ATOM 1569 C SER A 99 1.767 5.530 2.095 1.00 0.00 C ATOM 1570 O SER A 99 1.569 6.304 1.161 1.00 0.00 O ATOM 1571 CB SER A 99 2.307 3.139 1.509 1.00 0.00 C ATOM 1572 OG SER A 99 3.310 2.134 1.548 1.00 0.00 O ATOM 0 H SER A 99 3.197 3.403 3.785 1.00 0.00 H new ATOM 0 HA SER A 99 3.620 4.821 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.456 2.836 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.942 3.258 0.489 1.00 0.00 H new ATOM 0 HG SER A 99 3.511 1.908 2.480 1.00 0.00 H new ATOM 1578 N TYR A 100 1.067 5.570 3.222 1.00 0.00 N ATOM 1579 CA TYR A 100 0.070 6.602 3.462 1.00 0.00 C ATOM 1580 C TYR A 100 0.756 7.940 3.751 1.00 0.00 C ATOM 1581 O TYR A 100 0.272 8.998 3.351 1.00 0.00 O ATOM 1582 CB TYR A 100 -0.845 6.196 4.625 1.00 0.00 C ATOM 1583 CG TYR A 100 -1.883 7.240 4.983 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -2.899 7.572 4.097 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -1.841 7.894 6.206 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -3.843 8.528 4.419 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.781 8.849 6.538 1.00 0.00 C ATOM 1588 CZ TYR A 100 -3.779 9.165 5.641 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.712 10.123 5.968 1.00 0.00 O ATOM 0 H TYR A 100 1.172 4.899 3.983 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.544 6.716 2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.353 5.266 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.232 5.992 5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -2.952 7.075 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.059 7.652 6.911 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.627 8.775 3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.735 9.346 7.496 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.584 9.870 5.599 1.00 0.00 H new ATOM 1599 N GLN A 101 1.890 7.869 4.441 1.00 0.00 N ATOM 1600 CA GLN A 101 2.678 9.050 4.784 1.00 0.00 C ATOM 1601 C GLN A 101 2.996 9.877 3.545 1.00 0.00 C ATOM 1602 O GLN A 101 2.748 11.086 3.510 1.00 0.00 O ATOM 1603 CB GLN A 101 3.982 8.624 5.459 1.00 0.00 C ATOM 1604 CG GLN A 101 4.840 9.781 5.960 1.00 0.00 C ATOM 1605 CD GLN A 101 4.102 10.707 6.909 1.00 0.00 C ATOM 1606 OE1 GLN A 101 4.094 10.501 8.125 1.00 0.00 O ATOM 1607 NE2 GLN A 101 3.490 11.748 6.363 1.00 0.00 N ATOM 0 H GLN A 101 2.289 6.993 4.778 1.00 0.00 H new ATOM 0 HA GLN A 101 2.090 9.663 5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 101 3.745 7.972 6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 101 4.566 8.034 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.719 9.381 6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.197 10.356 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.519 11.884 5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.990 12.413 6.953 1.00 0.00 H new ATOM 1616 N GLN A 102 3.552 9.219 2.534 1.00 0.00 N ATOM 1617 CA GLN A 102 3.917 9.901 1.291 1.00 0.00 C ATOM 1618 C GLN A 102 2.685 10.517 0.626 1.00 0.00 C ATOM 1619 O GLN A 102 2.764 11.584 0.022 1.00 0.00 O ATOM 1620 CB GLN A 102 4.628 8.956 0.308 1.00 0.00 C ATOM 1621 CG GLN A 102 3.712 7.951 -0.378 1.00 0.00 C ATOM 1622 CD GLN A 102 4.404 7.191 -1.494 1.00 0.00 C ATOM 1623 OE1 GLN A 102 4.407 7.615 -2.652 1.00 0.00 O ATOM 1624 NE2 GLN A 102 4.984 6.053 -1.159 1.00 0.00 N ATOM 0 H GLN A 102 3.760 8.221 2.547 1.00 0.00 H new ATOM 0 HA GLN A 102 4.613 10.697 1.555 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.126 9.554 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.405 8.412 0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.339 7.242 0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.846 8.474 -0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.961 5.735 -0.190 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.455 5.492 -1.869 1.00 0.00 H new ATOM 1633 N ALA A 103 1.541 9.851 0.769 1.00 0.00 N ATOM 1634 CA ALA A 103 0.297 10.329 0.181 1.00 0.00 C ATOM 1635 C ALA A 103 -0.127 11.646 0.818 1.00 0.00 C ATOM 1636 O ALA A 103 -0.578 12.558 0.131 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.803 9.284 0.330 1.00 0.00 C ATOM 0 H ALA A 103 1.452 8.978 1.288 1.00 0.00 H new ATOM 0 HA ALA A 103 0.466 10.501 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.724 9.660 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.504 8.366 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.969 9.078 1.388 1.00 0.00 H new ATOM 1643 N VAL A 104 0.044 11.743 2.131 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.290 12.958 2.870 1.00 0.00 C ATOM 1645 C VAL A 104 0.606 14.118 2.436 1.00 0.00 C ATOM 1646 O VAL A 104 0.199 15.281 2.453 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.152 12.748 4.395 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -0.555 14.001 5.161 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -0.990 11.563 4.850 1.00 0.00 C ATOM 0 H VAL A 104 0.415 10.990 2.711 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.329 13.198 2.644 1.00 0.00 H new ATOM 0 HB VAL A 104 0.896 12.540 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.448 13.824 6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.087 14.831 4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.593 14.247 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.880 11.431 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.038 11.746 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.654 10.662 4.338 1.00 0.00 H new ATOM 1659 N ASN A 105 1.831 13.794 2.044 1.00 0.00 N ATOM 1660 CA ASN A 105 2.769 14.803 1.570 1.00 0.00 C ATOM 1661 C ASN A 105 2.430 15.226 0.147 1.00 0.00 C ATOM 1662 O ASN A 105 2.773 16.326 -0.285 1.00 0.00 O ATOM 1663 CB ASN A 105 4.209 14.284 1.631 1.00 0.00 C ATOM 1664 CG ASN A 105 4.700 14.058 3.049 1.00 0.00 C ATOM 1665 OD1 ASN A 105 4.254 14.718 3.991 1.00 0.00 O ATOM 1666 ND2 ASN A 105 5.639 13.137 3.207 1.00 0.00 N ATOM 0 H ASN A 105 2.198 12.842 2.045 1.00 0.00 H new ATOM 0 HA ASN A 105 2.684 15.670 2.225 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.276 13.348 1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.867 14.997 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.021 12.952 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.980 12.613 2.401 1.00 0.00 H new ATOM 1673 N LEU A 106 1.755 14.344 -0.581 1.00 0.00 N ATOM 1674 CA LEU A 106 1.341 14.633 -1.947 1.00 0.00 C ATOM 1675 C LEU A 106 -0.002 15.360 -1.965 1.00 0.00 C ATOM 1676 O LEU A 106 -0.416 15.901 -2.994 1.00 0.00 O ATOM 1677 CB LEU A 106 1.246 13.341 -2.763 1.00 0.00 C ATOM 1678 CG LEU A 106 2.559 12.571 -2.927 1.00 0.00 C ATOM 1679 CD1 LEU A 106 2.320 11.267 -3.673 1.00 0.00 C ATOM 1680 CD2 LEU A 106 3.588 13.422 -3.657 1.00 0.00 C ATOM 0 H LEU A 106 1.482 13.420 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 106 2.093 15.281 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.516 12.685 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 106 0.861 13.584 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 106 2.948 12.336 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.263 10.732 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.616 10.652 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.910 11.482 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.515 12.859 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.207 13.687 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.780 14.331 -3.086 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.681 15.362 -0.824 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.956 16.049 -0.690 1.00 0.00 C ATOM 1694 C LEU A 107 -1.741 17.530 -0.408 1.00 0.00 C ATOM 1695 O LEU A 107 -0.880 17.895 0.396 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.789 15.428 0.432 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.255 13.993 0.186 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.013 13.471 1.392 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -4.122 13.915 -1.061 1.00 0.00 C ATOM 0 H LEU A 107 -0.366 14.892 0.025 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.495 15.942 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.203 15.449 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.666 16.053 0.599 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.376 13.368 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.339 12.448 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.362 13.488 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.884 14.101 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.443 12.885 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.997 14.553 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.548 14.251 -1.925 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.506 18.398 -1.080 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.446 19.845 -0.861 1.00 0.00 C ATOM 1713 C PRO A 108 -2.901 20.238 0.547 1.00 0.00 C ATOM 1714 O PRO A 108 -3.442 19.410 1.288 1.00 0.00 O ATOM 1715 CB PRO A 108 -3.407 20.415 -1.913 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.611 19.318 -2.901 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.472 18.041 -2.127 1.00 0.00 C ATOM 0 HA PRO A 108 -1.428 20.225 -0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.352 20.716 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.986 21.300 -2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.594 19.388 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.874 19.372 -3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.424 17.718 -1.706 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.107 17.226 -2.753 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.702 21.506 0.892 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.027 22.022 2.220 1.00 0.00 C ATOM 1727 C GLU A 109 -4.486 21.751 2.569 1.00 0.00 C ATOM 1728 O GLU A 109 -4.791 21.285 3.662 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.769 23.527 2.272 1.00 0.00 C ATOM 1730 CG GLU A 109 -2.796 24.111 3.676 1.00 0.00 C ATOM 1731 CD GLU A 109 -1.575 23.741 4.493 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -1.552 22.647 5.094 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -0.629 24.553 4.543 1.00 0.00 O ATOM 0 H GLU A 109 -2.311 22.205 0.261 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.392 21.512 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.798 23.735 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.518 24.035 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.868 25.197 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.691 23.763 4.192 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.367 22.029 1.612 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.807 21.853 1.781 1.00 0.00 C ATOM 1742 C GLU A 110 -7.141 20.486 2.370 1.00 0.00 C ATOM 1743 O GLU A 110 -7.880 20.376 3.348 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.490 21.988 0.425 1.00 0.00 C ATOM 1745 CG GLU A 110 -8.992 21.813 0.483 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.598 21.496 -0.868 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -9.744 22.415 -1.694 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -9.942 20.317 -1.108 1.00 0.00 O ATOM 0 H GLU A 110 -5.101 22.384 0.693 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.162 22.618 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.263 22.970 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.073 21.248 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.233 21.012 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.445 22.724 0.874 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.574 19.454 1.769 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.836 18.086 2.183 1.00 0.00 C ATOM 1757 C LYS A 111 -6.236 17.819 3.555 1.00 0.00 C ATOM 1758 O LYS A 111 -6.892 17.268 4.439 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.265 17.100 1.160 1.00 0.00 C ATOM 1760 CG LYS A 111 -7.069 16.989 -0.135 1.00 0.00 C ATOM 1761 CD LYS A 111 -6.959 18.246 -0.985 1.00 0.00 C ATOM 1762 CE LYS A 111 -7.709 18.116 -2.302 1.00 0.00 C ATOM 1763 NZ LYS A 111 -9.179 17.994 -2.111 1.00 0.00 N ATOM 0 H LYS A 111 -5.925 19.539 0.987 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.916 17.947 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.246 17.400 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.205 16.114 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.716 16.132 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.116 16.803 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.353 19.096 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.908 18.456 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.498 18.986 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.342 17.242 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.654 18.044 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.396 17.083 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.516 18.769 -1.505 1.00 0.00 H new ATOM 1777 N ARG A 112 -4.985 18.227 3.721 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.268 18.038 4.976 1.00 0.00 C ATOM 1779 C ARG A 112 -4.976 18.722 6.145 1.00 0.00 C ATOM 1780 O ARG A 112 -5.045 18.166 7.240 1.00 0.00 O ATOM 1781 CB ARG A 112 -2.836 18.559 4.846 1.00 0.00 C ATOM 1782 CG ARG A 112 -1.968 17.725 3.914 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.555 18.277 3.815 1.00 0.00 C ATOM 1784 NE ARG A 112 0.087 18.396 5.124 1.00 0.00 N ATOM 1785 CZ ARG A 112 1.188 17.732 5.479 1.00 0.00 C ATOM 1786 NH1 ARG A 112 1.748 16.867 4.637 1.00 0.00 N ATOM 1787 NH2 ARG A 112 1.721 17.924 6.682 1.00 0.00 N ATOM 0 H ARG A 112 -4.441 18.695 2.996 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.246 16.969 5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.863 19.586 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.376 18.583 5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.932 16.697 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.419 17.700 2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.043 17.626 3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.582 19.256 3.336 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.333 19.026 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.335 16.710 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.590 16.361 4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.288 18.579 7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.563 17.416 6.954 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.519 19.914 5.910 1.00 0.00 N ATOM 1802 CA LYS A 113 -6.217 20.662 6.944 1.00 0.00 C ATOM 1803 C LYS A 113 -7.420 19.886 7.472 1.00 0.00 C ATOM 1804 O LYS A 113 -7.750 19.960 8.657 1.00 0.00 O ATOM 1805 CB LYS A 113 -6.669 22.017 6.398 1.00 0.00 C ATOM 1806 CG LYS A 113 -5.539 22.993 6.074 1.00 0.00 C ATOM 1807 CD LYS A 113 -4.790 23.462 7.318 1.00 0.00 C ATOM 1808 CE LYS A 113 -3.727 22.468 7.756 1.00 0.00 C ATOM 1809 NZ LYS A 113 -3.020 22.916 8.983 1.00 0.00 N ATOM 0 H LYS A 113 -5.487 20.383 5.005 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.525 20.819 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.255 21.850 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.333 22.482 7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.837 22.515 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.950 23.859 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.323 24.426 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.499 23.615 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -4.190 21.498 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.005 22.331 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.304 22.210 9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.556 23.829 8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.704 23.023 9.759 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.066 19.142 6.589 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.197 18.325 6.953 1.00 0.00 C ATOM 1825 C LEU A 114 -8.753 17.126 7.782 1.00 0.00 C ATOM 1826 O LEU A 114 -9.371 16.789 8.792 1.00 0.00 O ATOM 1827 CB LEU A 114 -9.889 17.849 5.682 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.531 18.948 4.833 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.119 18.360 3.558 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.605 19.677 5.627 1.00 0.00 C ATOM 0 H LEU A 114 -7.816 19.092 5.601 1.00 0.00 H new ATOM 0 HA LEU A 114 -9.887 18.916 7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.160 17.319 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.660 17.128 5.956 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.759 19.666 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.572 19.155 2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.329 17.882 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.878 17.621 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.051 20.455 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.376 18.969 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.159 20.130 6.512 1.00 0.00 H new ATOM 1842 N LEU A 115 -7.664 16.502 7.347 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.144 15.296 7.988 1.00 0.00 C ATOM 1844 C LEU A 115 -6.711 15.560 9.426 1.00 0.00 C ATOM 1845 O LEU A 115 -6.734 14.658 10.258 1.00 0.00 O ATOM 1846 CB LEU A 115 -5.961 14.741 7.188 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.265 14.394 5.730 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.023 13.843 5.048 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.407 13.393 5.644 1.00 0.00 C ATOM 0 H LEU A 115 -7.118 16.815 6.544 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.951 14.563 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.153 15.473 7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.593 13.845 7.689 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.569 15.305 5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.255 13.600 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.230 14.590 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.693 12.943 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.608 13.159 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.132 12.481 6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.301 13.821 6.098 1.00 0.00 H new ATOM 1861 N VAL A 116 -6.315 16.795 9.713 1.00 0.00 N ATOM 1862 CA VAL A 116 -5.847 17.162 11.051 1.00 0.00 C ATOM 1863 C VAL A 116 -6.929 16.920 12.103 1.00 0.00 C ATOM 1864 O VAL A 116 -6.641 16.463 13.209 1.00 0.00 O ATOM 1865 CB VAL A 116 -5.397 18.641 11.109 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -4.975 19.031 12.519 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -4.262 18.893 10.129 1.00 0.00 C ATOM 0 H VAL A 116 -6.307 17.561 9.040 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.990 16.525 11.270 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.248 19.261 10.826 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -4.664 20.076 12.530 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -5.815 18.896 13.201 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -4.144 18.401 12.837 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.959 19.939 10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.415 18.256 10.382 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.598 18.665 9.117 1.00 0.00 H new ATOM 1877 N GLN A 117 -8.173 17.203 11.742 1.00 0.00 N ATOM 1878 CA GLN A 117 -9.288 17.101 12.669 1.00 0.00 C ATOM 1879 C GLN A 117 -9.702 15.657 12.928 1.00 0.00 C ATOM 1880 O GLN A 117 -10.225 15.345 13.997 1.00 0.00 O ATOM 1881 CB GLN A 117 -10.477 17.894 12.135 1.00 0.00 C ATOM 1882 CG GLN A 117 -10.398 19.387 12.417 1.00 0.00 C ATOM 1883 CD GLN A 117 -10.728 19.753 13.858 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -10.479 18.845 14.793 1.00 0.00 O flip ATOM 1885 NE2 GLN A 117 -11.225 20.845 14.128 1.00 0.00 N flip ATOM 0 H GLN A 117 -8.435 17.508 10.805 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.958 17.517 13.621 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.549 17.741 11.058 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.392 17.499 12.576 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.394 19.740 12.182 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.084 19.911 11.751 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.404 21.521 13.386 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.458 21.074 15.094 1.00 0.00 H new ATOM 1894 N LEU A 118 -9.474 14.787 11.957 1.00 0.00 N ATOM 1895 CA LEU A 118 -9.932 13.404 12.043 1.00 0.00 C ATOM 1896 C LEU A 118 -8.928 12.532 12.797 1.00 0.00 C ATOM 1897 O LEU A 118 -9.110 12.328 14.018 1.00 0.00 O ATOM 1898 CB LEU A 118 -10.178 12.848 10.638 1.00 0.00 C ATOM 1899 CG LEU A 118 -11.221 13.610 9.815 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.333 13.021 8.419 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -12.574 13.583 10.514 1.00 0.00 C ATOM 0 H LEU A 118 -8.974 15.012 11.097 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.868 13.388 12.602 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.234 12.850 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.494 11.808 10.725 1.00 0.00 H new ATOM 0 HG LEU A 118 -10.898 14.647 9.726 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.079 13.575 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.368 13.089 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.633 11.975 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.304 14.129 9.916 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.902 12.550 10.632 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.486 14.050 11.495 1.00 0.00 H new TER 1913 LEU A 118