USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 773 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 41 HIS :FLIP no HD1:sc= -2.63! C(o=-4.2!,f=-2.5!) USER MOD Set 1.2: A 45 HIS : no HD1:sc= 0.143 K(o=-2.5,f=-3.1) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -0.159 (180deg=-0.868) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.806 K(o=-0.81,f=-4.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -2.61! C(o=-3.4!,f=-2.6!) USER MOD Single : A 21 THR OG1 : rot -57:sc= 1.17 USER MOD Single : A 23 SER OG : rot -157:sc= 0.186 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-3.6) USER MOD Single : A 50 HIS : no HE2:sc= -0.034 K(o=-0.034,f=-1.8) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -1.46 F(o=-2.4!,f=-1.5) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 155:sc= -1.01 (180deg=-3.37!) USER MOD Single : A 61 GLN : amide:sc= -0.489 K(o=-0.49,f=-5.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -7.49! C(o=-7.5!,f=-12!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 69.940 -7.266 -10.815 1.00 0.00 N ATOM 2 CA PRO A 1 71.389 -6.995 -10.562 1.00 0.00 C ATOM 3 C PRO A 1 71.854 -5.826 -11.433 1.00 0.00 C ATOM 4 O PRO A 1 71.134 -5.351 -12.288 1.00 0.00 O ATOM 5 CB PRO A 1 72.180 -8.253 -10.919 1.00 0.00 C ATOM 6 CG PRO A 1 71.179 -9.297 -11.395 1.00 0.00 C ATOM 7 CD PRO A 1 69.791 -8.665 -11.319 1.00 0.00 C ATOM 0 H2 PRO A 1 69.571 -6.604 -11.498 1.00 0.00 H new ATOM 0 H3 PRO A 1 69.403 -7.141 -9.957 1.00 0.00 H new ATOM 0 HA PRO A 1 71.548 -6.736 -9.515 1.00 0.00 H new ATOM 0 HB2 PRO A 1 72.912 -8.039 -11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 1 72.733 -8.618 -10.054 1.00 0.00 H new ATOM 0 HG2 PRO A 1 71.404 -9.608 -12.415 1.00 0.00 H new ATOM 0 HG3 PRO A 1 71.229 -10.190 -10.771 1.00 0.00 H new ATOM 0 HD2 PRO A 1 69.319 -8.667 -12.301 1.00 0.00 H new ATOM 0 HD3 PRO A 1 69.147 -9.241 -10.655 1.00 0.00 H new ATOM 17 N ILE A 2 73.054 -5.357 -11.221 1.00 0.00 N ATOM 18 CA ILE A 2 73.562 -4.220 -12.036 1.00 0.00 C ATOM 19 C ILE A 2 73.423 -4.554 -13.522 1.00 0.00 C ATOM 20 O ILE A 2 73.352 -5.705 -13.906 1.00 0.00 O ATOM 21 CB ILE A 2 75.036 -3.970 -11.706 1.00 0.00 C ATOM 22 CG1 ILE A 2 75.251 -4.115 -10.198 1.00 0.00 C ATOM 23 CG2 ILE A 2 75.424 -2.556 -12.141 1.00 0.00 C ATOM 24 CD1 ILE A 2 76.054 -5.387 -9.917 1.00 0.00 C ATOM 0 H ILE A 2 73.703 -5.713 -10.519 1.00 0.00 H new ATOM 0 HA ILE A 2 72.982 -3.325 -11.808 1.00 0.00 H new ATOM 0 HB ILE A 2 75.655 -4.695 -12.234 1.00 0.00 H new ATOM 0 HG12 ILE A 2 75.780 -3.245 -9.810 1.00 0.00 H new ATOM 0 HG13 ILE A 2 74.290 -4.158 -9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 2 76.473 -2.378 -11.906 1.00 0.00 H new ATOM 0 HG22 ILE A 2 75.270 -2.450 -13.215 1.00 0.00 H new ATOM 0 HG23 ILE A 2 74.806 -1.830 -11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 2 76.207 -5.491 -8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 2 75.507 -6.253 -10.291 1.00 0.00 H new ATOM 0 HD13 ILE A 2 77.020 -5.325 -10.417 1.00 0.00 H new ATOM 36 N THR A 3 73.384 -3.557 -14.362 1.00 0.00 N ATOM 37 CA THR A 3 73.248 -3.811 -15.818 1.00 0.00 C ATOM 38 C THR A 3 73.530 -2.518 -16.593 1.00 0.00 C ATOM 39 O THR A 3 74.080 -1.572 -16.064 1.00 0.00 O ATOM 40 CB THR A 3 71.833 -4.350 -16.118 1.00 0.00 C ATOM 41 OG1 THR A 3 71.926 -5.383 -17.089 1.00 0.00 O ATOM 42 CG2 THR A 3 70.910 -3.243 -16.650 1.00 0.00 C ATOM 0 H THR A 3 73.441 -2.573 -14.098 1.00 0.00 H new ATOM 0 HA THR A 3 73.972 -4.562 -16.136 1.00 0.00 H new ATOM 0 HB THR A 3 71.409 -4.731 -15.189 1.00 0.00 H new ATOM 0 HG1 THR A 3 71.031 -5.731 -17.283 1.00 0.00 H new ATOM 0 HG21 THR A 3 69.922 -3.658 -16.851 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.826 -2.450 -15.906 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.326 -2.834 -17.571 1.00 0.00 H new ATOM 50 N LYS A 4 73.159 -2.472 -17.842 1.00 0.00 N ATOM 51 CA LYS A 4 73.406 -1.246 -18.651 1.00 0.00 C ATOM 52 C LYS A 4 73.005 -0.005 -17.847 1.00 0.00 C ATOM 53 O LYS A 4 73.828 0.628 -17.217 1.00 0.00 O ATOM 54 CB LYS A 4 72.580 -1.309 -19.939 1.00 0.00 C ATOM 55 CG LYS A 4 73.519 -1.418 -21.143 1.00 0.00 C ATOM 56 CD LYS A 4 72.830 -2.203 -22.260 1.00 0.00 C ATOM 57 CE LYS A 4 73.669 -3.433 -22.612 1.00 0.00 C ATOM 58 NZ LYS A 4 75.037 -3.002 -23.017 1.00 0.00 N ATOM 0 H LYS A 4 72.694 -3.232 -18.339 1.00 0.00 H new ATOM 0 HA LYS A 4 74.466 -1.187 -18.900 1.00 0.00 H new ATOM 0 HB2 LYS A 4 71.907 -2.166 -19.910 1.00 0.00 H new ATOM 0 HB3 LYS A 4 71.958 -0.418 -20.029 1.00 0.00 H new ATOM 0 HG2 LYS A 4 73.790 -0.423 -21.497 1.00 0.00 H new ATOM 0 HG3 LYS A 4 74.444 -1.916 -20.852 1.00 0.00 H new ATOM 0 HD2 LYS A 4 71.833 -2.508 -21.943 1.00 0.00 H new ATOM 0 HD3 LYS A 4 72.705 -1.571 -23.139 1.00 0.00 H new ATOM 0 HE2 LYS A 4 73.726 -4.105 -21.755 1.00 0.00 H new ATOM 0 HE3 LYS A 4 73.197 -3.989 -23.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 75.419 -3.671 -23.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 74.992 -2.051 -23.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 75.656 -2.983 -22.182 1.00 0.00 H new ATOM 72 N GLU A 5 71.750 0.356 -17.876 1.00 0.00 N ATOM 73 CA GLU A 5 71.307 1.562 -17.127 1.00 0.00 C ATOM 74 C GLU A 5 70.891 1.180 -15.714 1.00 0.00 C ATOM 75 O GLU A 5 70.200 1.909 -15.032 1.00 0.00 O ATOM 76 CB GLU A 5 70.126 2.200 -17.845 1.00 0.00 C ATOM 77 CG GLU A 5 70.567 3.514 -18.495 1.00 0.00 C ATOM 78 CD GLU A 5 69.477 4.000 -19.452 1.00 0.00 C ATOM 79 OE1 GLU A 5 68.313 3.884 -19.101 1.00 0.00 O ATOM 80 OE2 GLU A 5 69.824 4.481 -20.518 1.00 0.00 O ATOM 0 H GLU A 5 71.015 -0.133 -18.386 1.00 0.00 H new ATOM 0 HA GLU A 5 72.134 2.270 -17.076 1.00 0.00 H new ATOM 0 HB2 GLU A 5 69.738 1.520 -18.603 1.00 0.00 H new ATOM 0 HB3 GLU A 5 69.316 2.386 -17.140 1.00 0.00 H new ATOM 0 HG2 GLU A 5 70.755 4.266 -17.729 1.00 0.00 H new ATOM 0 HG3 GLU A 5 71.502 3.369 -19.036 1.00 0.00 H new ATOM 87 N GLU A 6 71.319 0.046 -15.276 1.00 0.00 N ATOM 88 CA GLU A 6 70.972 -0.407 -13.904 1.00 0.00 C ATOM 89 C GLU A 6 71.983 0.144 -12.912 1.00 0.00 C ATOM 90 O GLU A 6 71.940 -0.130 -11.728 1.00 0.00 O ATOM 91 CB GLU A 6 70.990 -1.927 -13.853 1.00 0.00 C ATOM 92 CG GLU A 6 69.603 -2.470 -14.196 1.00 0.00 C ATOM 93 CD GLU A 6 68.642 -2.181 -13.041 1.00 0.00 C ATOM 94 OE1 GLU A 6 68.043 -1.118 -13.047 1.00 0.00 O ATOM 95 OE2 GLU A 6 68.521 -3.027 -12.171 1.00 0.00 O ATOM 0 H GLU A 6 71.901 -0.599 -15.810 1.00 0.00 H new ATOM 0 HA GLU A 6 69.977 -0.044 -13.645 1.00 0.00 H new ATOM 0 HB2 GLU A 6 71.727 -2.315 -14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 6 71.288 -2.264 -12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 6 69.236 -2.008 -15.113 1.00 0.00 H new ATOM 0 HG3 GLU A 6 69.656 -3.543 -14.379 1.00 0.00 H new ATOM 102 N LYS A 7 72.881 0.923 -13.400 1.00 0.00 N ATOM 103 CA LYS A 7 73.920 1.527 -12.529 1.00 0.00 C ATOM 104 C LYS A 7 74.085 3.010 -12.874 1.00 0.00 C ATOM 105 O LYS A 7 74.364 3.827 -12.020 1.00 0.00 O ATOM 106 CB LYS A 7 75.250 0.798 -12.735 1.00 0.00 C ATOM 107 CG LYS A 7 75.708 0.962 -14.184 1.00 0.00 C ATOM 108 CD LYS A 7 76.797 2.034 -14.258 1.00 0.00 C ATOM 109 CE LYS A 7 77.964 1.517 -15.099 1.00 0.00 C ATOM 110 NZ LYS A 7 79.201 1.486 -14.268 1.00 0.00 N ATOM 0 H LYS A 7 72.948 1.178 -14.385 1.00 0.00 H new ATOM 0 HA LYS A 7 73.615 1.433 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 7 76.004 1.199 -12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 7 75.137 -0.260 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 7 76.089 0.015 -14.565 1.00 0.00 H new ATOM 0 HG3 LYS A 7 74.864 1.242 -14.814 1.00 0.00 H new ATOM 0 HD2 LYS A 7 76.395 2.947 -14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 7 77.141 2.288 -13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.741 0.519 -15.475 1.00 0.00 H new ATOM 0 HE3 LYS A 7 78.113 2.159 -15.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 79.995 1.134 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 79.416 2.446 -13.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 79.056 0.856 -13.453 1.00 0.00 H new ATOM 124 N GLN A 8 73.914 3.364 -14.119 1.00 0.00 N ATOM 125 CA GLN A 8 74.060 4.791 -14.516 1.00 0.00 C ATOM 126 C GLN A 8 73.011 5.632 -13.785 1.00 0.00 C ATOM 127 O GLN A 8 73.324 6.621 -13.154 1.00 0.00 O ATOM 128 CB GLN A 8 73.856 4.925 -16.026 1.00 0.00 C ATOM 129 CG GLN A 8 75.166 4.613 -16.752 1.00 0.00 C ATOM 130 CD GLN A 8 74.861 3.946 -18.094 1.00 0.00 C ATOM 131 OE1 GLN A 8 73.713 3.755 -18.443 1.00 0.00 O ATOM 132 NE2 GLN A 8 75.847 3.583 -18.867 1.00 0.00 N ATOM 0 H GLN A 8 73.679 2.725 -14.878 1.00 0.00 H new ATOM 0 HA GLN A 8 75.058 5.141 -14.252 1.00 0.00 H new ATOM 0 HB2 GLN A 8 73.073 4.244 -16.359 1.00 0.00 H new ATOM 0 HB3 GLN A 8 73.525 5.934 -16.270 1.00 0.00 H new ATOM 0 HG2 GLN A 8 75.733 5.530 -16.911 1.00 0.00 H new ATOM 0 HG3 GLN A 8 75.785 3.957 -16.140 1.00 0.00 H new ATOM 0 HE21 GLN A 8 76.811 3.743 -18.574 1.00 0.00 H new ATOM 0 HE22 GLN A 8 75.654 3.139 -19.765 1.00 0.00 H new ATOM 141 N LYS A 9 71.767 5.250 -13.870 1.00 0.00 N ATOM 142 CA LYS A 9 70.700 6.029 -13.185 1.00 0.00 C ATOM 143 C LYS A 9 70.912 5.972 -11.671 1.00 0.00 C ATOM 144 O LYS A 9 70.344 6.743 -10.925 1.00 0.00 O ATOM 145 CB LYS A 9 69.333 5.432 -13.529 1.00 0.00 C ATOM 146 CG LYS A 9 69.273 5.113 -15.023 1.00 0.00 C ATOM 147 CD LYS A 9 67.819 4.879 -15.437 1.00 0.00 C ATOM 148 CE LYS A 9 67.476 5.776 -16.628 1.00 0.00 C ATOM 149 NZ LYS A 9 67.000 7.099 -16.132 1.00 0.00 N ATOM 0 H LYS A 9 71.444 4.431 -14.385 1.00 0.00 H new ATOM 0 HA LYS A 9 70.741 7.066 -13.517 1.00 0.00 H new ATOM 0 HB2 LYS A 9 69.164 4.526 -12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.542 6.134 -13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 9 69.698 5.935 -15.599 1.00 0.00 H new ATOM 0 HG3 LYS A 9 69.871 4.228 -15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 9 67.669 3.832 -15.702 1.00 0.00 H new ATOM 0 HD3 LYS A 9 67.153 5.095 -14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 9 68.352 5.907 -17.263 1.00 0.00 H new ATOM 0 HE3 LYS A 9 66.706 5.307 -17.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 66.767 7.710 -16.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 66.153 6.965 -15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 67.748 7.547 -15.565 1.00 0.00 H new ATOM 163 N VAL A 10 71.720 5.056 -11.213 1.00 0.00 N ATOM 164 CA VAL A 10 71.962 4.938 -9.751 1.00 0.00 C ATOM 165 C VAL A 10 72.927 6.030 -9.287 1.00 0.00 C ATOM 166 O VAL A 10 72.636 6.785 -8.380 1.00 0.00 O ATOM 167 CB VAL A 10 72.562 3.565 -9.448 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.998 3.509 -7.983 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.512 2.483 -9.708 1.00 0.00 C ATOM 0 H VAL A 10 72.223 4.383 -11.791 1.00 0.00 H new ATOM 0 HA VAL A 10 71.016 5.053 -9.221 1.00 0.00 H new ATOM 0 HB VAL A 10 73.426 3.397 -10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.426 2.530 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.745 4.280 -7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.134 3.677 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.938 1.503 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.648 2.652 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 10 71.201 2.522 -10.752 1.00 0.00 H new ATOM 179 N ILE A 11 74.078 6.110 -9.891 1.00 0.00 N ATOM 180 CA ILE A 11 75.067 7.138 -9.474 1.00 0.00 C ATOM 181 C ILE A 11 74.596 8.521 -9.895 1.00 0.00 C ATOM 182 O ILE A 11 74.652 9.473 -9.146 1.00 0.00 O ATOM 183 CB ILE A 11 76.431 6.833 -10.106 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.614 7.501 -11.482 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.606 5.326 -10.260 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.902 6.703 -12.567 1.00 0.00 C ATOM 0 H ILE A 11 74.376 5.506 -10.657 1.00 0.00 H new ATOM 0 HA ILE A 11 75.163 7.117 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 11 77.186 7.243 -9.435 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.221 8.517 -11.454 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.676 7.577 -11.717 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.577 5.116 -10.709 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.550 4.851 -9.280 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.817 4.932 -10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 11 76.044 7.192 -13.531 1.00 0.00 H new ATOM 0 HD12 ILE A 11 76.315 5.695 -12.607 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.837 6.650 -12.340 1.00 0.00 H new ATOM 198 N GLN A 12 74.161 8.627 -11.106 1.00 0.00 N ATOM 199 CA GLN A 12 73.688 9.946 -11.639 1.00 0.00 C ATOM 200 C GLN A 12 72.989 10.699 -10.512 1.00 0.00 C ATOM 201 O GLN A 12 73.100 11.902 -10.378 1.00 0.00 O ATOM 202 CB GLN A 12 72.718 9.722 -12.807 1.00 0.00 C ATOM 203 CG GLN A 12 71.353 9.264 -12.283 1.00 0.00 C ATOM 204 CD GLN A 12 70.323 9.343 -13.412 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.697 9.093 -14.637 1.00 0.00 O flip ATOM 206 NE2 GLN A 12 69.168 9.636 -13.177 1.00 0.00 N flip ATOM 0 H GLN A 12 74.107 7.853 -11.769 1.00 0.00 H new ATOM 0 HA GLN A 12 74.535 10.527 -12.003 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.606 10.644 -13.377 1.00 0.00 H new ATOM 0 HB3 GLN A 12 73.124 8.974 -13.488 1.00 0.00 H new ATOM 0 HG2 GLN A 12 71.419 8.243 -11.907 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.042 9.892 -11.448 1.00 0.00 H new ATOM 0 HE21 GLN A 12 68.876 9.831 -12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 12 68.490 9.687 -13.937 1.00 0.00 H new ATOM 215 N GLU A 13 72.300 9.975 -9.680 1.00 0.00 N ATOM 216 CA GLU A 13 71.616 10.598 -8.524 1.00 0.00 C ATOM 217 C GLU A 13 72.563 10.558 -7.321 1.00 0.00 C ATOM 218 O GLU A 13 72.633 11.480 -6.534 1.00 0.00 O ATOM 219 CB GLU A 13 70.339 9.823 -8.199 1.00 0.00 C ATOM 220 CG GLU A 13 69.136 10.764 -8.274 1.00 0.00 C ATOM 221 CD GLU A 13 67.895 9.974 -8.695 1.00 0.00 C ATOM 222 OE1 GLU A 13 67.791 9.655 -9.869 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.071 9.700 -7.838 1.00 0.00 O ATOM 0 H GLU A 13 72.182 8.965 -9.755 1.00 0.00 H new ATOM 0 HA GLU A 13 71.351 11.629 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.213 8.999 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.410 9.386 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 13 68.969 11.235 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 13 69.331 11.564 -8.988 1.00 0.00 H new ATOM 230 N PHE A 14 73.285 9.479 -7.180 1.00 0.00 N ATOM 231 CA PHE A 14 74.227 9.334 -6.041 1.00 0.00 C ATOM 232 C PHE A 14 75.578 9.984 -6.368 1.00 0.00 C ATOM 233 O PHE A 14 75.975 10.933 -5.724 1.00 0.00 O ATOM 234 CB PHE A 14 74.435 7.847 -5.752 1.00 0.00 C ATOM 235 CG PHE A 14 73.304 7.340 -4.890 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.148 7.824 -3.586 1.00 0.00 C ATOM 237 CD2 PHE A 14 72.410 6.389 -5.395 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.099 7.355 -2.786 1.00 0.00 C ATOM 239 CE2 PHE A 14 71.360 5.921 -4.597 1.00 0.00 C ATOM 240 CZ PHE A 14 71.204 6.404 -3.291 1.00 0.00 C ATOM 0 H PHE A 14 73.259 8.683 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 14 73.805 9.832 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.475 7.286 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.389 7.693 -5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 14 73.837 8.559 -3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 14 72.531 6.016 -6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 14 71.980 7.727 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 14 70.670 5.188 -4.988 1.00 0.00 H new ATOM 0 HZ PHE A 14 70.394 6.043 -2.674 1.00 0.00 H new ATOM 250 N ALA A 15 76.287 9.457 -7.342 1.00 0.00 N ATOM 251 CA ALA A 15 77.634 10.013 -7.717 1.00 0.00 C ATOM 252 C ALA A 15 77.752 11.486 -7.346 1.00 0.00 C ATOM 253 O ALA A 15 78.258 11.836 -6.299 1.00 0.00 O ATOM 254 CB ALA A 15 77.859 9.893 -9.223 1.00 0.00 C ATOM 0 H ALA A 15 75.988 8.657 -7.900 1.00 0.00 H new ATOM 0 HA ALA A 15 78.379 9.436 -7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.838 10.300 -9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.814 8.844 -9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.086 10.450 -9.752 1.00 0.00 H new ATOM 260 N ARG A 16 77.316 12.352 -8.214 1.00 0.00 N ATOM 261 CA ARG A 16 77.431 13.807 -7.941 1.00 0.00 C ATOM 262 C ARG A 16 78.907 14.184 -8.020 1.00 0.00 C ATOM 263 O ARG A 16 79.351 15.169 -7.466 1.00 0.00 O ATOM 264 CB ARG A 16 76.825 14.131 -6.557 1.00 0.00 C ATOM 265 CG ARG A 16 77.907 14.256 -5.471 1.00 0.00 C ATOM 266 CD ARG A 16 78.194 15.735 -5.210 1.00 0.00 C ATOM 267 NE ARG A 16 77.156 16.285 -4.294 1.00 0.00 N ATOM 268 CZ ARG A 16 76.722 17.504 -4.455 1.00 0.00 C ATOM 269 NH1 ARG A 16 76.154 17.851 -5.578 1.00 0.00 N ATOM 270 NH2 ARG A 16 76.855 18.377 -3.495 1.00 0.00 N ATOM 0 H ARG A 16 76.883 12.112 -9.106 1.00 0.00 H new ATOM 0 HA ARG A 16 76.876 14.390 -8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 16 76.262 15.062 -6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 16 76.119 13.349 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 16 77.575 13.771 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 16 78.817 13.748 -5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 16 79.184 15.853 -4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 16 78.196 16.288 -6.149 1.00 0.00 H new ATOM 0 HE ARG A 16 76.784 15.707 -3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 16 76.050 17.169 -6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 16 75.814 18.804 -5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 16 77.299 18.106 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 16 76.515 19.330 -3.622 1.00 0.00 H new ATOM 284 N PHE A 17 79.666 13.382 -8.708 1.00 0.00 N ATOM 285 CA PHE A 17 81.122 13.647 -8.843 1.00 0.00 C ATOM 286 C PHE A 17 81.466 13.796 -10.323 1.00 0.00 C ATOM 287 O PHE A 17 80.651 13.510 -11.177 1.00 0.00 O ATOM 288 CB PHE A 17 81.879 12.454 -8.253 1.00 0.00 C ATOM 289 CG PHE A 17 82.085 12.676 -6.776 1.00 0.00 C ATOM 290 CD1 PHE A 17 83.007 13.631 -6.332 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.348 11.930 -5.849 1.00 0.00 C ATOM 292 CE1 PHE A 17 83.191 13.839 -4.960 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.533 12.136 -4.477 1.00 0.00 C ATOM 294 CZ PHE A 17 82.455 13.092 -4.032 1.00 0.00 C ATOM 0 H PHE A 17 79.336 12.545 -9.188 1.00 0.00 H new ATOM 0 HA PHE A 17 81.399 14.562 -8.318 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.318 11.534 -8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.841 12.336 -8.752 1.00 0.00 H new ATOM 0 HD1 PHE A 17 83.576 14.207 -7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 17 80.636 11.195 -6.193 1.00 0.00 H new ATOM 0 HE1 PHE A 17 83.901 14.576 -4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 17 80.966 11.559 -3.762 1.00 0.00 H new ATOM 0 HZ PHE A 17 82.598 13.253 -2.974 1.00 0.00 H new ATOM 304 N PRO A 18 82.674 14.222 -10.586 1.00 0.00 N ATOM 305 CA PRO A 18 83.166 14.393 -11.963 1.00 0.00 C ATOM 306 C PRO A 18 83.486 13.027 -12.585 1.00 0.00 C ATOM 307 O PRO A 18 84.051 12.937 -13.658 1.00 0.00 O ATOM 308 CB PRO A 18 84.424 15.250 -11.793 1.00 0.00 C ATOM 309 CG PRO A 18 84.887 15.061 -10.330 1.00 0.00 C ATOM 310 CD PRO A 18 83.660 14.575 -9.541 1.00 0.00 C ATOM 0 HA PRO A 18 82.441 14.858 -12.631 1.00 0.00 H new ATOM 0 HB2 PRO A 18 85.202 14.939 -12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.210 16.299 -12.000 1.00 0.00 H new ATOM 0 HG2 PRO A 18 85.698 14.335 -10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 18 85.266 15.997 -9.919 1.00 0.00 H new ATOM 0 HD2 PRO A 18 83.903 13.716 -8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.278 15.353 -8.879 1.00 0.00 H new ATOM 318 N GLY A 19 83.107 11.965 -11.923 1.00 0.00 N ATOM 319 CA GLY A 19 83.356 10.604 -12.461 1.00 0.00 C ATOM 320 C GLY A 19 82.187 9.720 -12.036 1.00 0.00 C ATOM 321 O GLY A 19 82.316 8.523 -11.913 1.00 0.00 O ATOM 0 H GLY A 19 82.630 11.988 -11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.441 10.631 -13.547 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.296 10.207 -12.078 1.00 0.00 H new ATOM 325 N ASP A 20 81.056 10.338 -11.784 1.00 0.00 N ATOM 326 CA ASP A 20 79.845 9.636 -11.331 1.00 0.00 C ATOM 327 C ASP A 20 79.825 8.202 -11.803 1.00 0.00 C ATOM 328 O ASP A 20 79.273 7.855 -12.828 1.00 0.00 O ATOM 329 CB ASP A 20 78.608 10.364 -11.859 1.00 0.00 C ATOM 330 CG ASP A 20 78.761 10.608 -13.360 1.00 0.00 C ATOM 331 OD1 ASP A 20 79.790 11.135 -13.753 1.00 0.00 O ATOM 332 OD2 ASP A 20 77.848 10.266 -14.093 1.00 0.00 O ATOM 0 H ASP A 20 80.935 11.346 -11.883 1.00 0.00 H new ATOM 0 HA ASP A 20 79.844 9.632 -10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 20 77.714 9.771 -11.666 1.00 0.00 H new ATOM 0 HB3 ASP A 20 78.481 11.312 -11.337 1.00 0.00 H new ATOM 337 N THR A 21 80.415 7.378 -11.018 1.00 0.00 N ATOM 338 CA THR A 21 80.440 5.918 -11.326 1.00 0.00 C ATOM 339 C THR A 21 80.590 5.123 -10.029 1.00 0.00 C ATOM 340 O THR A 21 81.133 4.036 -10.016 1.00 0.00 O ATOM 341 CB THR A 21 81.580 5.595 -12.281 1.00 0.00 C ATOM 342 OG1 THR A 21 81.622 4.193 -12.507 1.00 0.00 O ATOM 343 CG2 THR A 21 82.905 6.057 -11.679 1.00 0.00 C ATOM 0 H THR A 21 80.894 7.643 -10.157 1.00 0.00 H new ATOM 0 HA THR A 21 79.503 5.640 -11.808 1.00 0.00 H new ATOM 0 HB THR A 21 81.418 6.112 -13.227 1.00 0.00 H new ATOM 0 HG1 THR A 21 81.714 3.726 -11.650 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.718 5.824 -12.366 1.00 0.00 H new ATOM 0 HG22 THR A 21 82.872 7.133 -11.509 1.00 0.00 H new ATOM 0 HG23 THR A 21 83.073 5.545 -10.732 1.00 0.00 H new ATOM 351 N GLY A 22 80.118 5.657 -8.937 1.00 0.00 N ATOM 352 CA GLY A 22 80.238 4.935 -7.639 1.00 0.00 C ATOM 353 C GLY A 22 81.293 5.626 -6.773 1.00 0.00 C ATOM 354 O GLY A 22 82.293 5.040 -6.408 1.00 0.00 O ATOM 0 H GLY A 22 79.654 6.564 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 22 79.277 4.926 -7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 22 80.517 3.896 -7.812 1.00 0.00 H new ATOM 358 N SER A 23 81.081 6.872 -6.450 1.00 0.00 N ATOM 359 CA SER A 23 82.075 7.607 -5.616 1.00 0.00 C ATOM 360 C SER A 23 81.871 7.265 -4.137 1.00 0.00 C ATOM 361 O SER A 23 81.388 8.070 -3.370 1.00 0.00 O ATOM 362 CB SER A 23 81.895 9.112 -5.818 1.00 0.00 C ATOM 363 OG SER A 23 82.257 9.453 -7.150 1.00 0.00 O ATOM 0 H SER A 23 80.262 7.414 -6.727 1.00 0.00 H new ATOM 0 HA SER A 23 83.081 7.313 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 23 80.860 9.395 -5.626 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.513 9.662 -5.109 1.00 0.00 H new ATOM 0 HG SER A 23 82.498 10.402 -7.191 1.00 0.00 H new ATOM 369 N THR A 24 82.247 6.081 -3.736 1.00 0.00 N ATOM 370 CA THR A 24 82.091 5.680 -2.305 1.00 0.00 C ATOM 371 C THR A 24 80.649 5.905 -1.842 1.00 0.00 C ATOM 372 O THR A 24 79.837 5.007 -1.871 1.00 0.00 O ATOM 373 CB THR A 24 83.034 6.511 -1.436 1.00 0.00 C ATOM 374 OG1 THR A 24 84.373 6.085 -1.648 1.00 0.00 O ATOM 375 CG2 THR A 24 82.662 6.323 0.036 1.00 0.00 C ATOM 0 H THR A 24 82.658 5.369 -4.340 1.00 0.00 H new ATOM 0 HA THR A 24 82.334 4.622 -2.209 1.00 0.00 H new ATOM 0 HB THR A 24 82.945 7.564 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 24 84.978 6.619 -1.092 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.333 6.914 0.659 1.00 0.00 H new ATOM 0 HG22 THR A 24 81.635 6.650 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.753 5.270 0.303 1.00 0.00 H new ATOM 383 N GLU A 25 80.336 7.094 -1.396 1.00 0.00 N ATOM 384 CA GLU A 25 78.959 7.390 -0.914 1.00 0.00 C ATOM 385 C GLU A 25 77.926 6.665 -1.778 1.00 0.00 C ATOM 386 O GLU A 25 76.977 6.092 -1.281 1.00 0.00 O ATOM 387 CB GLU A 25 78.724 8.894 -1.003 1.00 0.00 C ATOM 388 CG GLU A 25 79.501 9.599 0.109 1.00 0.00 C ATOM 389 CD GLU A 25 78.532 10.052 1.202 1.00 0.00 C ATOM 390 OE1 GLU A 25 78.196 9.236 2.045 1.00 0.00 O ATOM 391 OE2 GLU A 25 78.143 11.208 1.180 1.00 0.00 O ATOM 0 H GLU A 25 80.985 7.879 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 25 78.855 7.049 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.044 9.266 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 25 77.660 9.112 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.249 8.925 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 25 80.037 10.458 -0.296 1.00 0.00 H new ATOM 398 N VAL A 26 78.103 6.689 -3.068 1.00 0.00 N ATOM 399 CA VAL A 26 77.131 6.004 -3.962 1.00 0.00 C ATOM 400 C VAL A 26 77.036 4.531 -3.572 1.00 0.00 C ATOM 401 O VAL A 26 75.960 3.998 -3.380 1.00 0.00 O ATOM 402 CB VAL A 26 77.602 6.118 -5.413 1.00 0.00 C ATOM 403 CG1 VAL A 26 76.513 5.586 -6.347 1.00 0.00 C ATOM 404 CG2 VAL A 26 77.882 7.586 -5.745 1.00 0.00 C ATOM 0 H VAL A 26 78.878 7.153 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 26 76.152 6.472 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 26 78.513 5.534 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 26 76.849 5.667 -7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 26 76.311 4.541 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 26 75.602 6.170 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.218 7.668 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 26 76.971 8.169 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.657 7.968 -5.081 1.00 0.00 H new ATOM 414 N GLN A 27 78.151 3.867 -3.448 1.00 0.00 N ATOM 415 CA GLN A 27 78.113 2.429 -3.066 1.00 0.00 C ATOM 416 C GLN A 27 77.415 2.288 -1.717 1.00 0.00 C ATOM 417 O GLN A 27 76.561 1.446 -1.538 1.00 0.00 O ATOM 418 CB GLN A 27 79.539 1.882 -2.971 1.00 0.00 C ATOM 419 CG GLN A 27 80.325 2.284 -4.221 1.00 0.00 C ATOM 420 CD GLN A 27 81.245 1.135 -4.637 1.00 0.00 C ATOM 421 OE1 GLN A 27 82.432 1.166 -4.378 1.00 0.00 O ATOM 422 NE2 GLN A 27 80.746 0.112 -5.277 1.00 0.00 N ATOM 0 H GLN A 27 79.083 4.256 -3.594 1.00 0.00 H new ATOM 0 HA GLN A 27 77.566 1.864 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.030 2.271 -2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 27 79.518 0.796 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 27 79.639 2.527 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 27 80.912 3.180 -4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 27 79.750 0.084 -5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 27 81.352 -0.659 -5.558 1.00 0.00 H new ATOM 431 N VAL A 28 77.757 3.111 -0.768 1.00 0.00 N ATOM 432 CA VAL A 28 77.090 3.023 0.555 1.00 0.00 C ATOM 433 C VAL A 28 75.585 2.922 0.322 1.00 0.00 C ATOM 434 O VAL A 28 74.875 2.264 1.051 1.00 0.00 O ATOM 435 CB VAL A 28 77.413 4.278 1.371 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.501 4.351 2.596 1.00 0.00 C ATOM 437 CG2 VAL A 28 78.874 4.225 1.827 1.00 0.00 C ATOM 0 H VAL A 28 78.467 3.838 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 28 77.440 2.149 1.105 1.00 0.00 H new ATOM 0 HB VAL A 28 77.253 5.160 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.736 5.246 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.461 4.390 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.655 3.469 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.106 5.117 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.031 3.340 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.526 4.180 0.955 1.00 0.00 H new ATOM 447 N ALA A 29 75.091 3.556 -0.707 1.00 0.00 N ATOM 448 CA ALA A 29 73.637 3.470 -0.993 1.00 0.00 C ATOM 449 C ALA A 29 73.319 2.053 -1.454 1.00 0.00 C ATOM 450 O ALA A 29 72.364 1.445 -1.011 1.00 0.00 O ATOM 451 CB ALA A 29 73.264 4.468 -2.090 1.00 0.00 C ATOM 0 H ALA A 29 75.631 4.126 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 29 73.066 3.708 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.196 4.400 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 29 73.507 5.478 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 29 73.823 4.238 -2.997 1.00 0.00 H new ATOM 457 N LEU A 30 74.121 1.510 -2.330 1.00 0.00 N ATOM 458 CA LEU A 30 73.867 0.127 -2.795 1.00 0.00 C ATOM 459 C LEU A 30 74.136 -0.836 -1.633 1.00 0.00 C ATOM 460 O LEU A 30 73.836 -2.012 -1.704 1.00 0.00 O ATOM 461 CB LEU A 30 74.780 -0.186 -3.991 1.00 0.00 C ATOM 462 CG LEU A 30 76.124 -0.753 -3.518 1.00 0.00 C ATOM 463 CD1 LEU A 30 76.043 -2.280 -3.466 1.00 0.00 C ATOM 464 CD2 LEU A 30 77.225 -0.336 -4.495 1.00 0.00 C ATOM 0 H LEU A 30 74.936 1.966 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 30 72.832 0.015 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 30 74.290 -0.902 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 30 74.947 0.720 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 30 76.352 -0.366 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 30 76.998 -2.684 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 30 75.258 -2.579 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 30 75.815 -2.666 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 78.181 -0.739 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 30 76.996 -0.724 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 30 77.283 0.752 -4.535 1.00 0.00 H new ATOM 476 N LEU A 31 74.704 -0.341 -0.562 1.00 0.00 N ATOM 477 CA LEU A 31 74.995 -1.212 0.601 1.00 0.00 C ATOM 478 C LEU A 31 73.669 -1.549 1.293 1.00 0.00 C ATOM 479 O LEU A 31 73.491 -2.615 1.848 1.00 0.00 O ATOM 480 CB LEU A 31 75.941 -0.469 1.568 1.00 0.00 C ATOM 481 CG LEU A 31 75.135 0.266 2.638 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.768 -0.709 3.757 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.961 1.414 3.218 1.00 0.00 C ATOM 0 H LEU A 31 74.977 0.635 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 31 75.482 -2.134 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.621 -1.179 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.555 0.241 1.013 1.00 0.00 H new ATOM 0 HG LEU A 31 74.228 0.669 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.193 -0.186 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.171 -1.524 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.678 -1.113 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.379 1.932 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.872 1.017 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.222 2.112 2.423 1.00 0.00 H new ATOM 495 N THR A 32 72.744 -0.627 1.262 1.00 0.00 N ATOM 496 CA THR A 32 71.426 -0.852 1.911 1.00 0.00 C ATOM 497 C THR A 32 70.604 -1.833 1.064 1.00 0.00 C ATOM 498 O THR A 32 70.003 -2.758 1.574 1.00 0.00 O ATOM 499 CB THR A 32 70.710 0.511 2.056 1.00 0.00 C ATOM 500 OG1 THR A 32 70.364 0.711 3.419 1.00 0.00 O ATOM 501 CG2 THR A 32 69.438 0.575 1.199 1.00 0.00 C ATOM 0 H THR A 32 72.850 0.281 0.809 1.00 0.00 H new ATOM 0 HA THR A 32 71.550 -1.288 2.902 1.00 0.00 H new ATOM 0 HB THR A 32 71.390 1.291 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.911 1.574 3.518 1.00 0.00 H new ATOM 0 HG21 THR A 32 68.962 1.547 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 32 69.698 0.433 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 32 68.749 -0.210 1.511 1.00 0.00 H new ATOM 509 N LEU A 33 70.574 -1.635 -0.225 1.00 0.00 N ATOM 510 CA LEU A 33 69.792 -2.553 -1.097 1.00 0.00 C ATOM 511 C LEU A 33 70.237 -3.995 -0.850 1.00 0.00 C ATOM 512 O LEU A 33 69.448 -4.841 -0.482 1.00 0.00 O ATOM 513 CB LEU A 33 70.028 -2.188 -2.564 1.00 0.00 C ATOM 514 CG LEU A 33 68.740 -2.404 -3.359 1.00 0.00 C ATOM 515 CD1 LEU A 33 67.742 -1.292 -3.031 1.00 0.00 C ATOM 516 CD2 LEU A 33 69.056 -2.379 -4.856 1.00 0.00 C ATOM 0 H LEU A 33 71.056 -0.879 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 33 68.731 -2.457 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 70.347 -1.149 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.830 -2.800 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 33 68.308 -3.369 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 33 66.825 -1.447 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 33 67.516 -1.309 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 33 68.173 -0.326 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.139 -2.533 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.489 -1.414 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.766 -3.172 -5.091 1.00 0.00 H new ATOM 528 N ARG A 34 71.495 -4.283 -1.049 1.00 0.00 N ATOM 529 CA ARG A 34 71.985 -5.672 -0.825 1.00 0.00 C ATOM 530 C ARG A 34 71.614 -6.125 0.590 1.00 0.00 C ATOM 531 O ARG A 34 71.540 -7.303 0.875 1.00 0.00 O ATOM 532 CB ARG A 34 73.507 -5.707 -0.987 1.00 0.00 C ATOM 533 CG ARG A 34 73.910 -6.974 -1.743 1.00 0.00 C ATOM 534 CD ARG A 34 74.516 -6.593 -3.094 1.00 0.00 C ATOM 535 NE ARG A 34 74.185 -7.639 -4.101 1.00 0.00 N ATOM 536 CZ ARG A 34 73.210 -7.446 -4.947 1.00 0.00 C ATOM 537 NH1 ARG A 34 72.090 -6.912 -4.539 1.00 0.00 N ATOM 538 NH2 ARG A 34 73.353 -7.786 -6.198 1.00 0.00 N ATOM 0 H ARG A 34 72.203 -3.617 -1.357 1.00 0.00 H new ATOM 0 HA ARG A 34 71.524 -6.340 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.846 -4.824 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.988 -5.685 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.631 -7.545 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.040 -7.614 -1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.130 -5.627 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 34 75.597 -6.490 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 34 74.720 -8.507 -4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 34 71.978 -6.646 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 34 71.327 -6.760 -5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 34 74.228 -8.203 -6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 34 72.590 -7.635 -6.858 1.00 0.00 H new ATOM 552 N ILE A 35 71.380 -5.198 1.478 1.00 0.00 N ATOM 553 CA ILE A 35 71.016 -5.563 2.866 1.00 0.00 C ATOM 554 C ILE A 35 69.600 -6.144 2.871 1.00 0.00 C ATOM 555 O ILE A 35 69.358 -7.229 3.357 1.00 0.00 O ATOM 556 CB ILE A 35 71.095 -4.290 3.729 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.244 -4.426 4.726 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.791 -4.045 4.488 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.455 -3.661 4.197 1.00 0.00 C ATOM 0 H ILE A 35 71.427 -4.196 1.294 1.00 0.00 H new ATOM 0 HA ILE A 35 71.695 -6.313 3.270 1.00 0.00 H new ATOM 0 HB ILE A 35 71.266 -3.441 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.947 -4.034 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 35 72.496 -5.477 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.883 -3.139 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.973 -3.929 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.586 -4.892 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.280 -3.753 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.754 -4.074 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.196 -2.609 4.076 1.00 0.00 H new ATOM 571 N ASN A 36 68.667 -5.408 2.342 1.00 0.00 N ATOM 572 CA ASN A 36 67.256 -5.885 2.315 1.00 0.00 C ATOM 573 C ASN A 36 67.154 -7.186 1.513 1.00 0.00 C ATOM 574 O ASN A 36 66.426 -8.090 1.877 1.00 0.00 O ATOM 575 CB ASN A 36 66.370 -4.818 1.667 1.00 0.00 C ATOM 576 CG ASN A 36 66.349 -3.568 2.550 1.00 0.00 C ATOM 577 OD1 ASN A 36 65.803 -3.587 3.636 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.923 -2.476 2.128 1.00 0.00 N ATOM 0 H ASN A 36 68.820 -4.490 1.924 1.00 0.00 H new ATOM 0 HA ASN A 36 66.924 -6.070 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 36 66.748 -4.569 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.358 -5.201 1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.914 -1.638 2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.381 -2.460 1.217 1.00 0.00 H new ATOM 585 N ARG A 37 67.864 -7.293 0.421 1.00 0.00 N ATOM 586 CA ARG A 37 67.786 -8.536 -0.392 1.00 0.00 C ATOM 587 C ARG A 37 68.736 -9.590 0.163 1.00 0.00 C ATOM 588 O ARG A 37 68.965 -10.623 -0.434 1.00 0.00 O ATOM 589 CB ARG A 37 68.148 -8.227 -1.843 1.00 0.00 C ATOM 590 CG ARG A 37 66.870 -8.010 -2.656 1.00 0.00 C ATOM 591 CD ARG A 37 66.970 -8.771 -3.979 1.00 0.00 C ATOM 592 NE ARG A 37 66.691 -10.215 -3.744 1.00 0.00 N ATOM 593 CZ ARG A 37 66.604 -11.036 -4.754 1.00 0.00 C ATOM 594 NH1 ARG A 37 65.507 -11.090 -5.459 1.00 0.00 N ATOM 595 NH2 ARG A 37 67.614 -11.804 -5.060 1.00 0.00 N ATOM 0 H ARG A 37 68.492 -6.575 0.060 1.00 0.00 H new ATOM 0 HA ARG A 37 66.768 -8.922 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 37 68.776 -7.338 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 37 68.726 -9.048 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 37 66.004 -8.355 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.724 -6.947 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 37 66.259 -8.365 -4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 37 67.964 -8.647 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 37 66.568 -10.562 -2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 37 64.717 -10.490 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 37 65.439 -11.732 -6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 37 68.472 -11.762 -4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.546 -12.446 -5.850 1.00 0.00 H new ATOM 609 N LEU A 38 69.274 -9.335 1.306 1.00 0.00 N ATOM 610 CA LEU A 38 70.201 -10.304 1.942 1.00 0.00 C ATOM 611 C LEU A 38 69.397 -11.235 2.850 1.00 0.00 C ATOM 612 O LEU A 38 69.585 -12.435 2.853 1.00 0.00 O ATOM 613 CB LEU A 38 71.245 -9.554 2.773 1.00 0.00 C ATOM 614 CG LEU A 38 72.114 -10.559 3.532 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.411 -10.802 2.758 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.447 -9.999 4.917 1.00 0.00 C ATOM 0 H LEU A 38 69.112 -8.482 1.842 1.00 0.00 H new ATOM 0 HA LEU A 38 70.710 -10.884 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.867 -8.937 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.752 -8.881 3.475 1.00 0.00 H new ATOM 0 HG LEU A 38 71.573 -11.499 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.029 -11.518 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.176 -11.199 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.953 -9.862 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 38 73.066 -10.714 5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 38 72.988 -9.059 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 38 71.524 -9.825 5.471 1.00 0.00 H new ATOM 628 N SER A 39 68.500 -10.683 3.619 1.00 0.00 N ATOM 629 CA SER A 39 67.675 -11.518 4.534 1.00 0.00 C ATOM 630 C SER A 39 66.838 -12.500 3.712 1.00 0.00 C ATOM 631 O SER A 39 66.383 -13.511 4.210 1.00 0.00 O ATOM 632 CB SER A 39 66.749 -10.612 5.346 1.00 0.00 C ATOM 633 OG SER A 39 65.873 -11.413 6.128 1.00 0.00 O ATOM 0 H SER A 39 68.302 -9.683 3.652 1.00 0.00 H new ATOM 0 HA SER A 39 68.325 -12.074 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.336 -9.958 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.174 -9.969 4.679 1.00 0.00 H new ATOM 0 HG SER A 39 65.279 -10.834 6.651 1.00 0.00 H new ATOM 639 N GLU A 40 66.630 -12.212 2.455 1.00 0.00 N ATOM 640 CA GLU A 40 65.824 -13.124 1.605 1.00 0.00 C ATOM 641 C GLU A 40 66.739 -14.135 0.928 1.00 0.00 C ATOM 642 O GLU A 40 66.406 -14.731 -0.078 1.00 0.00 O ATOM 643 CB GLU A 40 65.095 -12.314 0.542 1.00 0.00 C ATOM 644 CG GLU A 40 63.598 -12.276 0.859 1.00 0.00 C ATOM 645 CD GLU A 40 63.229 -10.898 1.413 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.780 -9.921 0.934 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.401 -10.844 2.308 1.00 0.00 O ATOM 0 H GLU A 40 66.986 -11.381 1.982 1.00 0.00 H new ATOM 0 HA GLU A 40 65.099 -13.650 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.495 -11.301 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.257 -12.756 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.019 -12.485 -0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.349 -13.050 1.585 1.00 0.00 H new ATOM 654 N HIS A 41 67.890 -14.321 1.479 1.00 0.00 N ATOM 655 CA HIS A 41 68.862 -15.283 0.897 1.00 0.00 C ATOM 656 C HIS A 41 68.536 -16.697 1.383 1.00 0.00 C ATOM 657 O HIS A 41 67.823 -17.436 0.736 1.00 0.00 O ATOM 658 CB HIS A 41 70.278 -14.907 1.336 1.00 0.00 C ATOM 659 CG HIS A 41 71.238 -15.977 0.899 1.00 0.00 C ATOM 660 ND1 HIS A 41 72.527 -16.264 1.277 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 70.904 -16.925 -0.056 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 72.988 -17.371 0.569 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 71.971 -17.729 -0.220 1.00 0.00 N flip ATOM 0 H HIS A 41 68.211 -13.843 2.321 1.00 0.00 H new ATOM 0 HA HIS A 41 68.798 -15.249 -0.191 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.563 -13.949 0.902 1.00 0.00 H new ATOM 0 HB3 HIS A 41 70.316 -14.790 2.419 1.00 0.00 H new ATOM 0 HD2 HIS A 41 69.960 -17.004 -0.574 1.00 0.00 H new ATOM 0 HE1 HIS A 41 73.958 -17.839 0.642 1.00 0.00 H new ATOM 0 HE2 HIS A 41 72.000 -18.516 -0.868 1.00 0.00 H new ATOM 671 N LEU A 42 69.057 -17.076 2.517 1.00 0.00 N ATOM 672 CA LEU A 42 68.788 -18.436 3.051 1.00 0.00 C ATOM 673 C LEU A 42 67.325 -18.541 3.491 1.00 0.00 C ATOM 674 O LEU A 42 66.859 -19.593 3.877 1.00 0.00 O ATOM 675 CB LEU A 42 69.697 -18.685 4.252 1.00 0.00 C ATOM 676 CG LEU A 42 71.104 -19.035 3.767 1.00 0.00 C ATOM 677 CD1 LEU A 42 72.045 -17.859 4.033 1.00 0.00 C ATOM 678 CD2 LEU A 42 71.608 -20.270 4.517 1.00 0.00 C ATOM 0 H LEU A 42 69.661 -16.496 3.099 1.00 0.00 H new ATOM 0 HA LEU A 42 68.982 -19.178 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 69.730 -17.799 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 42 69.299 -19.497 4.860 1.00 0.00 H new ATOM 0 HG LEU A 42 71.078 -19.243 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.048 -18.110 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.687 -16.978 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.072 -17.649 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.611 -20.521 4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 42 71.634 -20.061 5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.939 -21.109 4.327 1.00 0.00 H new ATOM 690 N LYS A 43 66.596 -17.456 3.434 1.00 0.00 N ATOM 691 CA LYS A 43 65.165 -17.495 3.848 1.00 0.00 C ATOM 692 C LYS A 43 64.296 -17.987 2.692 1.00 0.00 C ATOM 693 O LYS A 43 63.091 -17.830 2.682 1.00 0.00 O ATOM 694 CB LYS A 43 64.715 -16.096 4.258 1.00 0.00 C ATOM 695 CG LYS A 43 64.690 -15.991 5.785 1.00 0.00 C ATOM 696 CD LYS A 43 63.266 -15.684 6.252 1.00 0.00 C ATOM 697 CE LYS A 43 62.820 -16.745 7.260 1.00 0.00 C ATOM 698 NZ LYS A 43 61.331 -16.793 7.305 1.00 0.00 N ATOM 0 H LYS A 43 66.931 -16.546 3.118 1.00 0.00 H new ATOM 0 HA LYS A 43 65.059 -18.178 4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.392 -15.349 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.725 -15.888 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 43 65.037 -16.924 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 43 65.370 -15.207 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 43 63.227 -14.695 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 43 62.587 -15.669 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 43 63.218 -17.720 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 43 63.217 -16.513 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 61.027 -17.514 7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 60.962 -15.864 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 60.963 -17.034 6.363 1.00 0.00 H new ATOM 712 N VAL A 44 64.912 -18.588 1.733 1.00 0.00 N ATOM 713 CA VAL A 44 64.184 -19.124 0.558 1.00 0.00 C ATOM 714 C VAL A 44 65.057 -20.195 -0.095 1.00 0.00 C ATOM 715 O VAL A 44 64.586 -21.231 -0.520 1.00 0.00 O ATOM 716 CB VAL A 44 63.922 -17.990 -0.435 1.00 0.00 C ATOM 717 CG1 VAL A 44 63.532 -18.575 -1.795 1.00 0.00 C ATOM 718 CG2 VAL A 44 62.785 -17.110 0.086 1.00 0.00 C ATOM 0 H VAL A 44 65.921 -18.737 1.709 1.00 0.00 H new ATOM 0 HA VAL A 44 63.230 -19.554 0.862 1.00 0.00 H new ATOM 0 HB VAL A 44 64.826 -17.391 -0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 44 63.346 -17.765 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 44 64.343 -19.201 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.629 -19.176 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 44 62.597 -16.302 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 44 61.882 -17.711 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.064 -16.690 1.052 1.00 0.00 H new ATOM 728 N HIS A 45 66.338 -19.950 -0.160 1.00 0.00 N ATOM 729 CA HIS A 45 67.271 -20.937 -0.762 1.00 0.00 C ATOM 730 C HIS A 45 67.071 -22.301 -0.097 1.00 0.00 C ATOM 731 O HIS A 45 66.297 -23.118 -0.555 1.00 0.00 O ATOM 732 CB HIS A 45 68.707 -20.460 -0.533 1.00 0.00 C ATOM 733 CG HIS A 45 69.146 -19.614 -1.697 1.00 0.00 C ATOM 734 ND1 HIS A 45 70.440 -19.654 -2.193 1.00 0.00 N ATOM 735 CD2 HIS A 45 68.476 -18.702 -2.473 1.00 0.00 C ATOM 736 CE1 HIS A 45 70.506 -18.789 -3.222 1.00 0.00 C ATOM 737 NE2 HIS A 45 69.336 -18.182 -3.435 1.00 0.00 N ATOM 0 H HIS A 45 66.780 -19.097 0.183 1.00 0.00 H new ATOM 0 HA HIS A 45 67.077 -21.029 -1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 45 68.768 -19.885 0.391 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.372 -21.316 -0.420 1.00 0.00 H new ATOM 0 HD2 HIS A 45 67.438 -18.429 -2.355 1.00 0.00 H new ATOM 0 HE1 HIS A 45 71.397 -18.608 -3.805 1.00 0.00 H new ATOM 0 HE2 HIS A 45 69.119 -17.487 -4.149 1.00 0.00 H new ATOM 745 N LYS A 46 67.762 -22.552 0.981 1.00 0.00 N ATOM 746 CA LYS A 46 67.610 -23.862 1.675 1.00 0.00 C ATOM 747 C LYS A 46 68.113 -24.985 0.765 1.00 0.00 C ATOM 748 O LYS A 46 67.895 -26.151 1.025 1.00 0.00 O ATOM 749 CB LYS A 46 66.135 -24.096 2.006 1.00 0.00 C ATOM 750 CG LYS A 46 65.584 -22.889 2.767 1.00 0.00 C ATOM 751 CD LYS A 46 64.271 -23.272 3.454 1.00 0.00 C ATOM 752 CE LYS A 46 63.169 -23.421 2.403 1.00 0.00 C ATOM 753 NZ LYS A 46 62.481 -24.730 2.585 1.00 0.00 N ATOM 0 H LYS A 46 68.425 -21.907 1.411 1.00 0.00 H new ATOM 0 HA LYS A 46 68.192 -23.854 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 46 65.566 -24.252 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 46 66.025 -24.999 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 46 66.309 -22.551 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 46 65.419 -22.058 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 46 64.394 -24.206 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 46 63.993 -22.510 4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 46 62.452 -22.605 2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 46 63.596 -23.359 1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 61.732 -24.831 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 63.169 -25.502 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 62.061 -24.772 3.535 1.00 0.00 H new ATOM 767 N LYS A 47 68.788 -24.644 -0.299 1.00 0.00 N ATOM 768 CA LYS A 47 69.303 -25.692 -1.222 1.00 0.00 C ATOM 769 C LYS A 47 70.006 -25.031 -2.409 1.00 0.00 C ATOM 770 O LYS A 47 69.514 -25.044 -3.519 1.00 0.00 O ATOM 771 CB LYS A 47 68.138 -26.545 -1.730 1.00 0.00 C ATOM 772 CG LYS A 47 67.198 -25.676 -2.568 1.00 0.00 C ATOM 773 CD LYS A 47 65.752 -25.910 -2.124 1.00 0.00 C ATOM 774 CE LYS A 47 64.925 -24.653 -2.393 1.00 0.00 C ATOM 775 NZ LYS A 47 63.750 -25.003 -3.241 1.00 0.00 N ATOM 0 H LYS A 47 69.005 -23.684 -0.568 1.00 0.00 H new ATOM 0 HA LYS A 47 70.012 -26.325 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 47 68.514 -27.374 -2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 47 67.597 -26.979 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.459 -24.624 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.308 -25.918 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 47 65.328 -26.758 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 47 65.722 -26.158 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 47 64.591 -24.217 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 47 65.537 -23.902 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 63.187 -24.148 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 64.080 -25.401 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 63.162 -25.705 -2.747 1.00 0.00 H new ATOM 789 N ASP A 48 71.155 -24.453 -2.184 1.00 0.00 N ATOM 790 CA ASP A 48 71.888 -23.793 -3.302 1.00 0.00 C ATOM 791 C ASP A 48 73.091 -23.030 -2.746 1.00 0.00 C ATOM 792 O ASP A 48 72.993 -21.876 -2.380 1.00 0.00 O ATOM 793 CB ASP A 48 70.953 -22.818 -4.020 1.00 0.00 C ATOM 794 CG ASP A 48 71.054 -23.032 -5.532 1.00 0.00 C ATOM 795 OD1 ASP A 48 72.165 -23.157 -6.020 1.00 0.00 O ATOM 796 OD2 ASP A 48 70.018 -23.068 -6.175 1.00 0.00 O ATOM 0 H ASP A 48 71.617 -24.409 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 48 72.233 -24.551 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.926 -22.972 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 48 71.219 -21.791 -3.769 1.00 0.00 H new ATOM 801 N HIS A 49 74.230 -23.667 -2.681 1.00 0.00 N ATOM 802 CA HIS A 49 75.441 -22.978 -2.151 1.00 0.00 C ATOM 803 C HIS A 49 75.226 -22.628 -0.677 1.00 0.00 C ATOM 804 O HIS A 49 74.215 -22.956 -0.091 1.00 0.00 O ATOM 805 CB HIS A 49 75.689 -21.697 -2.948 1.00 0.00 C ATOM 806 CG HIS A 49 75.810 -22.030 -4.409 1.00 0.00 C ATOM 807 ND1 HIS A 49 74.701 -22.243 -5.213 1.00 0.00 N ATOM 808 CD2 HIS A 49 76.901 -22.190 -5.227 1.00 0.00 C ATOM 809 CE1 HIS A 49 75.146 -22.517 -6.453 1.00 0.00 C ATOM 810 NE2 HIS A 49 76.480 -22.496 -6.517 1.00 0.00 N ATOM 0 H HIS A 49 74.373 -24.634 -2.972 1.00 0.00 H new ATOM 0 HA HIS A 49 76.304 -23.637 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 49 74.871 -20.994 -2.791 1.00 0.00 H new ATOM 0 HB3 HIS A 49 76.599 -21.209 -2.599 1.00 0.00 H new ATOM 0 HD2 HIS A 49 77.931 -22.093 -4.916 1.00 0.00 H new ATOM 0 HE1 HIS A 49 74.503 -22.728 -7.294 1.00 0.00 H new ATOM 0 HE2 HIS A 49 77.064 -22.667 -7.335 1.00 0.00 H new ATOM 818 N HIS A 50 76.175 -21.961 -0.074 1.00 0.00 N ATOM 819 CA HIS A 50 76.030 -21.588 1.362 1.00 0.00 C ATOM 820 C HIS A 50 76.629 -20.208 1.584 1.00 0.00 C ATOM 821 O HIS A 50 77.050 -19.859 2.669 1.00 0.00 O ATOM 822 CB HIS A 50 76.773 -22.598 2.223 1.00 0.00 C ATOM 823 CG HIS A 50 75.815 -23.253 3.179 1.00 0.00 C ATOM 824 ND1 HIS A 50 74.506 -23.546 2.828 1.00 0.00 N ATOM 825 CD2 HIS A 50 75.958 -23.677 4.476 1.00 0.00 C ATOM 826 CE1 HIS A 50 73.920 -24.122 3.894 1.00 0.00 C ATOM 827 NE2 HIS A 50 74.761 -24.226 4.926 1.00 0.00 N ATOM 0 H HIS A 50 77.044 -21.659 -0.515 1.00 0.00 H new ATOM 0 HA HIS A 50 74.974 -21.581 1.633 1.00 0.00 H new ATOM 0 HB2 HIS A 50 77.244 -23.352 1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 50 77.571 -22.102 2.776 1.00 0.00 H new ATOM 0 HD1 HIS A 50 74.067 -23.359 1.926 1.00 0.00 H new ATOM 0 HD2 HIS A 50 76.863 -23.597 5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 50 72.894 -24.459 3.912 1.00 0.00 H new ATOM 835 N SER A 51 76.667 -19.435 0.551 1.00 0.00 N ATOM 836 CA SER A 51 77.236 -18.058 0.645 1.00 0.00 C ATOM 837 C SER A 51 76.817 -17.414 1.969 1.00 0.00 C ATOM 838 O SER A 51 75.679 -17.034 2.154 1.00 0.00 O ATOM 839 CB SER A 51 76.714 -17.214 -0.518 1.00 0.00 C ATOM 840 OG SER A 51 77.491 -17.481 -1.678 1.00 0.00 O ATOM 0 H SER A 51 76.325 -19.694 -0.374 1.00 0.00 H new ATOM 0 HA SER A 51 78.324 -18.113 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 51 75.666 -17.444 -0.708 1.00 0.00 H new ATOM 0 HB3 SER A 51 76.767 -16.155 -0.266 1.00 0.00 H new ATOM 0 HG SER A 51 77.158 -16.943 -2.426 1.00 0.00 H new ATOM 846 N HIS A 52 77.733 -17.290 2.892 1.00 0.00 N ATOM 847 CA HIS A 52 77.392 -16.671 4.201 1.00 0.00 C ATOM 848 C HIS A 52 78.628 -16.671 5.104 1.00 0.00 C ATOM 849 O HIS A 52 78.529 -16.779 6.310 1.00 0.00 O ATOM 850 CB HIS A 52 76.272 -17.472 4.869 1.00 0.00 C ATOM 851 CG HIS A 52 75.870 -16.800 6.153 1.00 0.00 C ATOM 852 ND1 HIS A 52 76.216 -15.591 6.703 1.00 0.00 N flip ATOM 853 CD2 HIS A 52 74.993 -17.387 7.052 1.00 0.00 C flip ATOM 854 CE1 HIS A 52 75.566 -15.428 7.923 1.00 0.00 C flip ATOM 855 NE2 HIS A 52 74.843 -16.538 8.085 1.00 0.00 N flip ATOM 0 H HIS A 52 78.702 -17.591 2.794 1.00 0.00 H new ATOM 0 HA HIS A 52 77.059 -15.645 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 52 75.414 -17.545 4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 52 76.608 -18.490 5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 52 74.517 -18.350 6.943 1.00 0.00 H new ATOM 0 HE1 HIS A 52 75.632 -14.585 8.594 1.00 0.00 H new ATOM 0 HE2 HIS A 52 74.249 -16.721 8.894 1.00 0.00 H new ATOM 863 N ARG A 53 79.795 -16.549 4.530 1.00 0.00 N ATOM 864 CA ARG A 53 81.034 -16.540 5.352 1.00 0.00 C ATOM 865 C ARG A 53 81.042 -15.297 6.244 1.00 0.00 C ATOM 866 O ARG A 53 81.208 -15.382 7.444 1.00 0.00 O ATOM 867 CB ARG A 53 82.256 -16.515 4.432 1.00 0.00 C ATOM 868 CG ARG A 53 83.243 -17.601 4.862 1.00 0.00 C ATOM 869 CD ARG A 53 84.674 -17.094 4.672 1.00 0.00 C ATOM 870 NE ARG A 53 85.248 -16.718 5.993 1.00 0.00 N ATOM 871 CZ ARG A 53 86.402 -17.200 6.364 1.00 0.00 C ATOM 872 NH1 ARG A 53 87.505 -16.599 6.009 1.00 0.00 N ATOM 873 NH2 ARG A 53 86.454 -18.282 7.092 1.00 0.00 N ATOM 0 H ARG A 53 79.941 -16.455 3.525 1.00 0.00 H new ATOM 0 HA ARG A 53 81.066 -17.435 5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.949 -16.676 3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 53 82.735 -15.537 4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 53 83.076 -17.867 5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 53 83.085 -18.505 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 53 85.285 -17.866 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 53 84.680 -16.234 4.003 1.00 0.00 H new ATOM 0 HE ARG A 53 84.739 -16.083 6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 53 87.465 -15.752 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 53 88.407 -16.976 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 53 85.592 -18.751 7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.356 -18.659 7.382 1.00 0.00 H new ATOM 887 N GLY A 54 80.863 -14.143 5.663 1.00 0.00 N ATOM 888 CA GLY A 54 80.859 -12.893 6.473 1.00 0.00 C ATOM 889 C GLY A 54 79.903 -11.880 5.841 1.00 0.00 C ATOM 890 O GLY A 54 80.299 -10.800 5.451 1.00 0.00 O ATOM 0 H GLY A 54 80.719 -14.012 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 54 80.551 -13.111 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 54 81.865 -12.477 6.524 1.00 0.00 H new ATOM 894 N LEU A 55 78.646 -12.219 5.735 1.00 0.00 N ATOM 895 CA LEU A 55 77.674 -11.275 5.129 1.00 0.00 C ATOM 896 C LEU A 55 77.089 -10.373 6.215 1.00 0.00 C ATOM 897 O LEU A 55 75.958 -9.936 6.136 1.00 0.00 O ATOM 898 CB LEU A 55 76.550 -12.056 4.444 1.00 0.00 C ATOM 899 CG LEU A 55 76.867 -12.211 2.957 1.00 0.00 C ATOM 900 CD1 LEU A 55 75.891 -13.207 2.327 1.00 0.00 C ATOM 901 CD2 LEU A 55 76.726 -10.854 2.262 1.00 0.00 C ATOM 0 H LEU A 55 78.254 -13.109 6.043 1.00 0.00 H new ATOM 0 HA LEU A 55 78.185 -10.661 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.440 -13.037 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.601 -11.535 4.572 1.00 0.00 H new ATOM 0 HG LEU A 55 77.887 -12.577 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 55 76.118 -13.317 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 55 75.988 -14.174 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 55 74.871 -12.841 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 76.952 -10.963 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.706 -10.489 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 55 77.420 -10.142 2.709 1.00 0.00 H new ATOM 913 N LEU A 56 77.857 -10.097 7.226 1.00 0.00 N ATOM 914 CA LEU A 56 77.377 -9.231 8.321 1.00 0.00 C ATOM 915 C LEU A 56 78.059 -7.872 8.221 1.00 0.00 C ATOM 916 O LEU A 56 77.453 -6.838 8.416 1.00 0.00 O ATOM 917 CB LEU A 56 77.727 -9.885 9.654 1.00 0.00 C ATOM 918 CG LEU A 56 76.852 -11.120 9.859 1.00 0.00 C ATOM 919 CD1 LEU A 56 77.359 -11.914 11.064 1.00 0.00 C ATOM 920 CD2 LEU A 56 75.407 -10.683 10.107 1.00 0.00 C ATOM 0 H LEU A 56 78.810 -10.442 7.338 1.00 0.00 H new ATOM 0 HA LEU A 56 76.298 -9.098 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 56 78.780 -10.166 9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 56 77.574 -9.178 10.470 1.00 0.00 H new ATOM 0 HG LEU A 56 76.896 -11.748 8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 56 76.733 -12.795 11.209 1.00 0.00 H new ATOM 0 HD12 LEU A 56 78.389 -12.225 10.888 1.00 0.00 H new ATOM 0 HD13 LEU A 56 77.317 -11.289 11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 56 74.781 -11.563 10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 56 75.364 -10.055 10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 56 75.045 -10.119 9.247 1.00 0.00 H new ATOM 932 N MET A 57 79.320 -7.876 7.911 1.00 0.00 N ATOM 933 CA MET A 57 80.064 -6.594 7.784 1.00 0.00 C ATOM 934 C MET A 57 79.295 -5.659 6.850 1.00 0.00 C ATOM 935 O MET A 57 79.366 -4.451 6.964 1.00 0.00 O ATOM 936 CB MET A 57 81.454 -6.870 7.207 1.00 0.00 C ATOM 937 CG MET A 57 82.378 -5.689 7.512 1.00 0.00 C ATOM 938 SD MET A 57 82.681 -4.753 5.993 1.00 0.00 S ATOM 939 CE MET A 57 84.478 -4.616 6.165 1.00 0.00 C ATOM 0 H MET A 57 79.873 -8.716 7.739 1.00 0.00 H new ATOM 0 HA MET A 57 80.167 -6.127 8.763 1.00 0.00 H new ATOM 0 HB2 MET A 57 81.862 -7.785 7.636 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.388 -7.025 6.130 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.925 -5.044 8.265 1.00 0.00 H new ATOM 0 HG3 MET A 57 83.321 -6.048 7.925 1.00 0.00 H new ATOM 0 HE1 MET A 57 84.883 -4.063 5.318 1.00 0.00 H new ATOM 0 HE2 MET A 57 84.716 -4.090 7.090 1.00 0.00 H new ATOM 0 HE3 MET A 57 84.918 -5.613 6.191 1.00 0.00 H new ATOM 949 N MET A 58 78.556 -6.210 5.926 1.00 0.00 N ATOM 950 CA MET A 58 77.777 -5.359 4.985 1.00 0.00 C ATOM 951 C MET A 58 76.847 -4.444 5.782 1.00 0.00 C ATOM 952 O MET A 58 76.748 -3.262 5.520 1.00 0.00 O ATOM 953 CB MET A 58 76.945 -6.250 4.060 1.00 0.00 C ATOM 954 CG MET A 58 77.522 -6.198 2.643 1.00 0.00 C ATOM 955 SD MET A 58 76.880 -7.589 1.679 1.00 0.00 S ATOM 956 CE MET A 58 75.123 -7.187 1.841 1.00 0.00 C ATOM 0 H MET A 58 78.459 -7.215 5.783 1.00 0.00 H new ATOM 0 HA MET A 58 78.461 -4.755 4.388 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.948 -7.276 4.427 1.00 0.00 H new ATOM 0 HB3 MET A 58 75.907 -5.917 4.054 1.00 0.00 H new ATOM 0 HG2 MET A 58 77.255 -5.256 2.164 1.00 0.00 H new ATOM 0 HG3 MET A 58 78.611 -6.239 2.680 1.00 0.00 H new ATOM 0 HE1 MET A 58 74.573 -7.614 1.002 1.00 0.00 H new ATOM 0 HE2 MET A 58 74.740 -7.600 2.774 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.996 -6.104 1.845 1.00 0.00 H new ATOM 966 N VAL A 59 76.160 -4.983 6.753 1.00 0.00 N ATOM 967 CA VAL A 59 75.235 -4.147 7.565 1.00 0.00 C ATOM 968 C VAL A 59 76.038 -3.109 8.351 1.00 0.00 C ATOM 969 O VAL A 59 75.521 -2.087 8.756 1.00 0.00 O ATOM 970 CB VAL A 59 74.463 -5.038 8.540 1.00 0.00 C ATOM 971 CG1 VAL A 59 73.457 -4.191 9.320 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.719 -6.122 7.758 1.00 0.00 C ATOM 0 H VAL A 59 76.201 -5.967 7.018 1.00 0.00 H new ATOM 0 HA VAL A 59 74.534 -3.638 6.904 1.00 0.00 H new ATOM 0 HB VAL A 59 75.160 -5.504 9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 59 72.907 -4.826 10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.987 -3.418 9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.759 -3.724 8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 59 73.168 -6.758 8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.022 -5.655 7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.436 -6.727 7.202 1.00 0.00 H new ATOM 982 N GLY A 60 77.298 -3.365 8.575 1.00 0.00 N ATOM 983 CA GLY A 60 78.130 -2.394 9.342 1.00 0.00 C ATOM 984 C GLY A 60 78.654 -1.307 8.399 1.00 0.00 C ATOM 985 O GLY A 60 79.515 -0.528 8.757 1.00 0.00 O ATOM 0 H GLY A 60 77.787 -4.203 8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.539 -1.944 10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.964 -2.910 9.817 1.00 0.00 H new ATOM 989 N GLN A 61 78.143 -1.247 7.200 1.00 0.00 N ATOM 990 CA GLN A 61 78.615 -0.212 6.243 1.00 0.00 C ATOM 991 C GLN A 61 77.746 1.032 6.364 1.00 0.00 C ATOM 992 O GLN A 61 77.703 1.872 5.487 1.00 0.00 O ATOM 993 CB GLN A 61 78.528 -0.755 4.824 1.00 0.00 C ATOM 994 CG GLN A 61 79.937 -0.997 4.279 1.00 0.00 C ATOM 995 CD GLN A 61 80.263 0.056 3.218 1.00 0.00 C ATOM 996 OE1 GLN A 61 79.528 1.008 3.044 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.343 -0.073 2.497 1.00 0.00 N ATOM 0 H GLN A 61 77.419 -1.871 6.843 1.00 0.00 H new ATOM 0 HA GLN A 61 79.649 0.046 6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 61 77.959 -1.685 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 61 77.997 -0.049 4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.665 -0.949 5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.005 -1.996 3.848 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.961 -0.872 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.569 0.625 1.788 1.00 0.00 H new ATOM 1006 N ARG A 62 77.066 1.150 7.453 1.00 0.00 N ATOM 1007 CA ARG A 62 76.188 2.334 7.676 1.00 0.00 C ATOM 1008 C ARG A 62 75.953 2.514 9.174 1.00 0.00 C ATOM 1009 O ARG A 62 75.918 3.618 9.682 1.00 0.00 O ATOM 1010 CB ARG A 62 74.850 2.130 6.962 1.00 0.00 C ATOM 1011 CG ARG A 62 74.131 0.911 7.544 1.00 0.00 C ATOM 1012 CD ARG A 62 72.718 0.827 6.963 1.00 0.00 C ATOM 1013 NE ARG A 62 72.193 -0.557 7.130 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.305 -0.811 8.052 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.470 -0.351 9.261 1.00 0.00 N ATOM 1016 NH2 ARG A 62 70.252 -1.526 7.764 1.00 0.00 N ATOM 0 H ARG A 62 77.074 0.472 8.215 1.00 0.00 H new ATOM 0 HA ARG A 62 76.671 3.225 7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.228 3.018 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 62 75.015 1.990 5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.686 0.002 7.311 1.00 0.00 H new ATOM 0 HG3 ARG A 62 74.085 0.987 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.064 1.539 7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 62 72.731 1.097 5.907 1.00 0.00 H new ATOM 0 HE ARG A 62 72.528 -1.306 6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 62 72.293 0.207 9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 62 70.776 -0.550 9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 62 70.123 -1.886 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 62 69.558 -1.725 8.484 1.00 0.00 H new ATOM 1030 N ARG A 63 75.801 1.435 9.884 1.00 0.00 N ATOM 1031 CA ARG A 63 75.578 1.532 11.350 1.00 0.00 C ATOM 1032 C ARG A 63 76.847 2.060 12.019 1.00 0.00 C ATOM 1033 O ARG A 63 76.859 2.380 13.190 1.00 0.00 O ATOM 1034 CB ARG A 63 75.244 0.147 11.909 1.00 0.00 C ATOM 1035 CG ARG A 63 74.492 0.299 13.233 1.00 0.00 C ATOM 1036 CD ARG A 63 73.003 0.029 13.010 1.00 0.00 C ATOM 1037 NE ARG A 63 72.597 -1.183 13.777 1.00 0.00 N ATOM 1038 CZ ARG A 63 71.430 -1.728 13.565 1.00 0.00 C ATOM 1039 NH1 ARG A 63 71.238 -2.467 12.507 1.00 0.00 N ATOM 1040 NH2 ARG A 63 70.456 -1.536 14.413 1.00 0.00 N ATOM 0 H ARG A 63 75.822 0.486 9.511 1.00 0.00 H new ATOM 0 HA ARG A 63 74.749 2.211 11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 63 74.636 -0.408 11.195 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.159 -0.426 12.062 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.891 -0.396 13.972 1.00 0.00 H new ATOM 0 HG3 ARG A 63 74.634 1.304 13.631 1.00 0.00 H new ATOM 0 HD2 ARG A 63 72.415 0.889 13.330 1.00 0.00 H new ATOM 0 HD3 ARG A 63 72.804 -0.116 11.948 1.00 0.00 H new ATOM 0 HE ARG A 63 73.231 -1.586 14.467 1.00 0.00 H new ATOM 0 HH11 ARG A 63 72.000 -2.619 11.846 1.00 0.00 H new ATOM 0 HH12 ARG A 63 70.326 -2.893 12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.607 -0.960 15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 63 69.544 -1.962 14.247 1.00 0.00 H new ATOM 1054 N ARG A 64 77.919 2.156 11.277 1.00 0.00 N ATOM 1055 CA ARG A 64 79.187 2.664 11.858 1.00 0.00 C ATOM 1056 C ARG A 64 80.094 3.163 10.732 1.00 0.00 C ATOM 1057 O ARG A 64 81.304 3.140 10.838 1.00 0.00 O ATOM 1058 CB ARG A 64 79.889 1.539 12.621 1.00 0.00 C ATOM 1059 CG ARG A 64 79.815 1.817 14.124 1.00 0.00 C ATOM 1060 CD ARG A 64 79.502 0.518 14.868 1.00 0.00 C ATOM 1061 NE ARG A 64 80.761 -0.042 15.439 1.00 0.00 N ATOM 1062 CZ ARG A 64 80.731 -1.162 16.107 1.00 0.00 C ATOM 1063 NH1 ARG A 64 80.503 -2.286 15.487 1.00 0.00 N ATOM 1064 NH2 ARG A 64 80.933 -1.158 17.397 1.00 0.00 N ATOM 0 H ARG A 64 77.966 1.902 10.290 1.00 0.00 H new ATOM 0 HA ARG A 64 78.971 3.483 12.544 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.418 0.582 12.394 1.00 0.00 H new ATOM 0 HB3 ARG A 64 80.930 1.465 12.305 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.760 2.231 14.475 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.045 2.561 14.330 1.00 0.00 H new ATOM 0 HD2 ARG A 64 78.781 0.706 15.664 1.00 0.00 H new ATOM 0 HD3 ARG A 64 79.046 -0.202 14.189 1.00 0.00 H new ATOM 0 HE ARG A 64 81.645 0.450 15.307 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.348 -2.290 14.479 1.00 0.00 H new ATOM 0 HH12 ARG A 64 80.480 -3.161 16.010 1.00 0.00 H new ATOM 0 HH21 ARG A 64 81.114 -0.279 17.882 1.00 0.00 H new ATOM 0 HH22 ARG A 64 80.910 -2.034 17.920 1.00 0.00 H new ATOM 1078 N LEU A 65 79.515 3.616 9.651 1.00 0.00 N ATOM 1079 CA LEU A 65 80.336 4.118 8.518 1.00 0.00 C ATOM 1080 C LEU A 65 80.946 5.474 8.884 1.00 0.00 C ATOM 1081 O LEU A 65 81.668 6.068 8.109 1.00 0.00 O ATOM 1082 CB LEU A 65 79.453 4.274 7.278 1.00 0.00 C ATOM 1083 CG LEU A 65 80.256 4.946 6.162 1.00 0.00 C ATOM 1084 CD1 LEU A 65 79.952 4.261 4.829 1.00 0.00 C ATOM 1085 CD2 LEU A 65 79.868 6.423 6.075 1.00 0.00 C ATOM 0 H LEU A 65 78.506 3.659 9.507 1.00 0.00 H new ATOM 0 HA LEU A 65 81.136 3.407 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 65 79.096 3.299 6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.573 4.871 7.518 1.00 0.00 H new ATOM 0 HG LEU A 65 81.321 4.860 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 65 80.524 4.740 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 65 80.227 3.208 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 65 78.887 4.346 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 65 80.439 6.903 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 65 78.803 6.507 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 65 80.085 6.913 7.024 1.00 0.00 H new ATOM 1097 N LEU A 66 80.657 5.971 10.057 1.00 0.00 N ATOM 1098 CA LEU A 66 81.214 7.286 10.471 1.00 0.00 C ATOM 1099 C LEU A 66 82.743 7.220 10.475 1.00 0.00 C ATOM 1100 O LEU A 66 83.421 8.217 10.330 1.00 0.00 O ATOM 1101 CB LEU A 66 80.726 7.617 11.880 1.00 0.00 C ATOM 1102 CG LEU A 66 81.342 6.633 12.876 1.00 0.00 C ATOM 1103 CD1 LEU A 66 82.368 7.362 13.746 1.00 0.00 C ATOM 1104 CD2 LEU A 66 80.240 6.054 13.766 1.00 0.00 C ATOM 0 H LEU A 66 80.057 5.519 10.747 1.00 0.00 H new ATOM 0 HA LEU A 66 80.884 8.054 9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 66 81.003 8.638 12.142 1.00 0.00 H new ATOM 0 HB3 LEU A 66 79.638 7.561 11.922 1.00 0.00 H new ATOM 0 HG LEU A 66 81.834 5.826 12.333 1.00 0.00 H new ATOM 0 HD11 LEU A 66 82.807 6.661 14.456 1.00 0.00 H new ATOM 0 HD12 LEU A 66 83.153 7.777 13.113 1.00 0.00 H new ATOM 0 HD13 LEU A 66 81.876 8.169 14.290 1.00 0.00 H new ATOM 0 HD21 LEU A 66 80.677 5.352 14.476 1.00 0.00 H new ATOM 0 HD22 LEU A 66 79.749 6.862 14.309 1.00 0.00 H new ATOM 0 HD23 LEU A 66 79.508 5.535 13.147 1.00 0.00 H new ATOM 1116 N ARG A 67 83.285 6.049 10.649 1.00 0.00 N ATOM 1117 CA ARG A 67 84.766 5.900 10.678 1.00 0.00 C ATOM 1118 C ARG A 67 85.330 5.888 9.251 1.00 0.00 C ATOM 1119 O ARG A 67 86.466 5.516 9.031 1.00 0.00 O ATOM 1120 CB ARG A 67 85.128 4.589 11.378 1.00 0.00 C ATOM 1121 CG ARG A 67 86.546 4.687 11.946 1.00 0.00 C ATOM 1122 CD ARG A 67 87.042 3.290 12.321 1.00 0.00 C ATOM 1123 NE ARG A 67 86.575 2.948 13.694 1.00 0.00 N ATOM 1124 CZ ARG A 67 87.381 2.352 14.529 1.00 0.00 C ATOM 1125 NH1 ARG A 67 87.538 1.057 14.472 1.00 0.00 N ATOM 1126 NH2 ARG A 67 88.032 3.049 15.419 1.00 0.00 N ATOM 0 H ARG A 67 82.762 5.182 10.773 1.00 0.00 H new ATOM 0 HA ARG A 67 85.196 6.742 11.220 1.00 0.00 H new ATOM 0 HB2 ARG A 67 84.418 4.384 12.179 1.00 0.00 H new ATOM 0 HB3 ARG A 67 85.063 3.759 10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 67 87.214 5.136 11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 67 86.554 5.335 12.822 1.00 0.00 H new ATOM 0 HD2 ARG A 67 86.670 2.556 11.606 1.00 0.00 H new ATOM 0 HD3 ARG A 67 88.131 3.255 12.277 1.00 0.00 H new ATOM 0 HE ARG A 67 85.624 3.180 13.981 1.00 0.00 H new ATOM 0 HH11 ARG A 67 87.031 0.512 13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 67 88.168 0.590 15.125 1.00 0.00 H new ATOM 0 HH21 ARG A 67 87.911 4.061 15.463 1.00 0.00 H new ATOM 0 HH22 ARG A 67 88.662 2.582 16.071 1.00 0.00 H new ATOM 1140 N TYR A 68 84.556 6.291 8.281 1.00 0.00 N ATOM 1141 CA TYR A 68 85.056 6.301 6.885 1.00 0.00 C ATOM 1142 C TYR A 68 84.918 7.710 6.305 1.00 0.00 C ATOM 1143 O TYR A 68 85.858 8.479 6.287 1.00 0.00 O ATOM 1144 CB TYR A 68 84.243 5.316 6.043 1.00 0.00 C ATOM 1145 CG TYR A 68 85.092 4.111 5.715 1.00 0.00 C ATOM 1146 CD1 TYR A 68 86.411 4.282 5.279 1.00 0.00 C ATOM 1147 CD2 TYR A 68 84.560 2.822 5.848 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.199 3.164 4.974 1.00 0.00 C ATOM 1149 CE2 TYR A 68 85.347 1.705 5.544 1.00 0.00 C ATOM 1150 CZ TYR A 68 86.666 1.876 5.108 1.00 0.00 C ATOM 1151 OH TYR A 68 87.442 0.775 4.807 1.00 0.00 O ATOM 0 H TYR A 68 83.596 6.614 8.400 1.00 0.00 H new ATOM 0 HA TYR A 68 86.105 6.005 6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 68 83.350 5.008 6.587 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.907 5.798 5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.822 5.276 5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 68 83.542 2.690 6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.216 3.296 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 68 84.936 0.711 5.646 1.00 0.00 H new ATOM 0 HH TYR A 68 86.922 -0.042 4.955 1.00 0.00 H new ATOM 1161 N LEU A 69 83.752 8.052 5.829 1.00 0.00 N ATOM 1162 CA LEU A 69 83.552 9.407 5.249 1.00 0.00 C ATOM 1163 C LEU A 69 83.420 10.433 6.377 1.00 0.00 C ATOM 1164 O LEU A 69 84.128 11.420 6.415 1.00 0.00 O ATOM 1165 CB LEU A 69 82.281 9.415 4.398 1.00 0.00 C ATOM 1166 CG LEU A 69 82.427 10.440 3.272 1.00 0.00 C ATOM 1167 CD1 LEU A 69 81.450 10.103 2.145 1.00 0.00 C ATOM 1168 CD2 LEU A 69 82.119 11.837 3.814 1.00 0.00 C ATOM 0 H LEU A 69 82.929 7.450 5.817 1.00 0.00 H new ATOM 0 HA LEU A 69 84.408 9.664 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 69 82.104 8.424 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.418 9.659 5.017 1.00 0.00 H new ATOM 0 HG LEU A 69 83.446 10.415 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.554 10.833 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 69 81.669 9.107 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 69 80.430 10.128 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.223 12.569 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 69 81.099 11.861 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 69 82.815 12.077 4.617 1.00 0.00 H new ATOM 1180 N GLN A 70 82.521 10.208 7.296 1.00 0.00 N ATOM 1181 CA GLN A 70 82.347 11.167 8.419 1.00 0.00 C ATOM 1182 C GLN A 70 83.715 11.510 9.008 1.00 0.00 C ATOM 1183 O GLN A 70 83.971 12.624 9.419 1.00 0.00 O ATOM 1184 CB GLN A 70 81.485 10.518 9.501 1.00 0.00 C ATOM 1185 CG GLN A 70 81.428 11.432 10.725 1.00 0.00 C ATOM 1186 CD GLN A 70 82.650 11.180 11.610 1.00 0.00 C ATOM 1187 OE1 GLN A 70 83.481 10.349 11.297 1.00 0.00 O ATOM 1188 NE2 GLN A 70 82.798 11.868 12.708 1.00 0.00 N ATOM 0 H GLN A 70 81.899 9.400 7.316 1.00 0.00 H new ATOM 0 HA GLN A 70 81.866 12.075 8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.479 10.339 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.899 9.548 9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.402 12.476 10.411 1.00 0.00 H new ATOM 0 HG3 GLN A 70 80.514 11.246 11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.101 12.565 12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.610 11.709 13.304 1.00 0.00 H new ATOM 1197 N ARG A 71 84.589 10.548 9.054 1.00 0.00 N ATOM 1198 CA ARG A 71 85.948 10.785 9.619 1.00 0.00 C ATOM 1199 C ARG A 71 86.713 11.777 8.740 1.00 0.00 C ATOM 1200 O ARG A 71 87.391 12.657 9.229 1.00 0.00 O ATOM 1201 CB ARG A 71 86.713 9.462 9.678 1.00 0.00 C ATOM 1202 CG ARG A 71 86.896 9.043 11.138 1.00 0.00 C ATOM 1203 CD ARG A 71 87.413 7.603 11.196 1.00 0.00 C ATOM 1204 NE ARG A 71 88.903 7.611 11.196 1.00 0.00 N ATOM 1205 CZ ARG A 71 89.555 7.608 12.327 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.223 6.769 13.269 1.00 0.00 N ATOM 1207 NH2 ARG A 71 90.538 8.445 12.515 1.00 0.00 N ATOM 0 H ARG A 71 84.421 9.598 8.722 1.00 0.00 H new ATOM 0 HA ARG A 71 85.851 11.198 10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.169 8.691 9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.684 9.569 9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 71 87.598 9.713 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.949 9.122 11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.041 7.107 12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 71 87.042 7.037 10.342 1.00 0.00 H new ATOM 0 HE ARG A 71 89.413 7.619 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 71 88.454 6.115 13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.732 6.767 14.153 1.00 0.00 H new ATOM 0 HH21 ARG A 71 90.797 9.101 11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 71 91.048 8.443 13.399 1.00 0.00 H new ATOM 1221 N GLU A 72 86.610 11.643 7.444 1.00 0.00 N ATOM 1222 CA GLU A 72 87.333 12.578 6.541 1.00 0.00 C ATOM 1223 C GLU A 72 86.453 13.781 6.233 1.00 0.00 C ATOM 1224 O GLU A 72 86.646 14.489 5.265 1.00 0.00 O ATOM 1225 CB GLU A 72 87.675 11.863 5.245 1.00 0.00 C ATOM 1226 CG GLU A 72 88.778 10.838 5.505 1.00 0.00 C ATOM 1227 CD GLU A 72 89.628 10.666 4.244 1.00 0.00 C ATOM 1228 OE1 GLU A 72 89.295 11.276 3.242 1.00 0.00 O ATOM 1229 OE2 GLU A 72 90.598 9.929 4.304 1.00 0.00 O ATOM 0 H GLU A 72 86.056 10.926 6.975 1.00 0.00 H new ATOM 0 HA GLU A 72 88.247 12.915 7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.790 11.367 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.002 12.583 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.404 11.165 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.340 9.883 5.793 1.00 0.00 H new ATOM 1236 N ASP A 73 85.491 14.002 7.058 1.00 0.00 N ATOM 1237 CA ASP A 73 84.563 15.148 6.860 1.00 0.00 C ATOM 1238 C ASP A 73 83.370 14.992 7.809 1.00 0.00 C ATOM 1239 O ASP A 73 82.538 14.128 7.611 1.00 0.00 O ATOM 1240 CB ASP A 73 84.063 15.151 5.413 1.00 0.00 C ATOM 1241 CG ASP A 73 84.529 16.427 4.705 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.253 17.193 5.319 1.00 0.00 O ATOM 1243 OD2 ASP A 73 84.152 16.615 3.560 1.00 0.00 O ATOM 0 H ASP A 73 85.296 13.431 7.881 1.00 0.00 H new ATOM 0 HA ASP A 73 85.081 16.084 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.440 14.274 4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.975 15.091 5.395 1.00 0.00 H new ATOM 1248 N PRO A 74 83.315 15.831 8.813 1.00 0.00 N ATOM 1249 CA PRO A 74 82.228 15.799 9.803 1.00 0.00 C ATOM 1250 C PRO A 74 80.959 16.388 9.194 1.00 0.00 C ATOM 1251 O PRO A 74 79.856 16.015 9.541 1.00 0.00 O ATOM 1252 CB PRO A 74 82.755 16.660 10.954 1.00 0.00 C ATOM 1253 CG PRO A 74 83.841 17.577 10.346 1.00 0.00 C ATOM 1254 CD PRO A 74 84.319 16.889 9.052 1.00 0.00 C ATOM 0 HA PRO A 74 81.967 14.794 10.135 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.953 17.249 11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 74 83.170 16.038 11.747 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.438 18.567 10.133 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.669 17.713 11.042 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.363 17.592 8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.319 16.471 9.169 1.00 0.00 H new ATOM 1262 N GLU A 75 81.113 17.290 8.270 1.00 0.00 N ATOM 1263 CA GLU A 75 79.926 17.889 7.613 1.00 0.00 C ATOM 1264 C GLU A 75 79.343 16.855 6.656 1.00 0.00 C ATOM 1265 O GLU A 75 78.150 16.630 6.613 1.00 0.00 O ATOM 1266 CB GLU A 75 80.342 19.141 6.836 1.00 0.00 C ATOM 1267 CG GLU A 75 79.126 20.045 6.634 1.00 0.00 C ATOM 1268 CD GLU A 75 79.591 21.488 6.430 1.00 0.00 C ATOM 1269 OE1 GLU A 75 79.766 22.178 7.420 1.00 0.00 O ATOM 1270 OE2 GLU A 75 79.765 21.877 5.286 1.00 0.00 O ATOM 0 H GLU A 75 82.013 17.639 7.941 1.00 0.00 H new ATOM 0 HA GLU A 75 79.183 18.174 8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 75 81.120 19.677 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 75 80.763 18.859 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 75 78.551 19.711 5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 75 78.466 19.983 7.499 1.00 0.00 H new ATOM 1277 N ARG A 76 80.182 16.201 5.901 1.00 0.00 N ATOM 1278 CA ARG A 76 79.677 15.162 4.971 1.00 0.00 C ATOM 1279 C ARG A 76 78.949 14.100 5.791 1.00 0.00 C ATOM 1280 O ARG A 76 78.181 13.314 5.272 1.00 0.00 O ATOM 1281 CB ARG A 76 80.849 14.528 4.220 1.00 0.00 C ATOM 1282 CG ARG A 76 81.606 15.611 3.445 1.00 0.00 C ATOM 1283 CD ARG A 76 80.609 16.487 2.683 1.00 0.00 C ATOM 1284 NE ARG A 76 79.752 15.628 1.819 1.00 0.00 N ATOM 1285 CZ ARG A 76 78.827 16.169 1.074 1.00 0.00 C ATOM 1286 NH1 ARG A 76 79.136 16.677 -0.087 1.00 0.00 N ATOM 1287 NH2 ARG A 76 77.589 16.203 1.492 1.00 0.00 N ATOM 0 H ARG A 76 81.192 16.343 5.890 1.00 0.00 H new ATOM 0 HA ARG A 76 78.996 15.605 4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.519 14.033 4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.484 13.763 3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 76 82.192 16.222 4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.308 15.151 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 76 79.991 17.047 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 76 81.142 17.217 2.074 1.00 0.00 H new ATOM 0 HE ARG A 76 79.888 14.617 1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 76 80.102 16.652 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 76 78.412 17.099 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 76 77.346 15.807 2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 76 76.866 16.626 0.910 1.00 0.00 H new ATOM 1301 N TYR A 77 79.182 14.078 7.080 1.00 0.00 N ATOM 1302 CA TYR A 77 78.504 13.082 7.945 1.00 0.00 C ATOM 1303 C TYR A 77 77.135 13.619 8.367 1.00 0.00 C ATOM 1304 O TYR A 77 76.695 13.416 9.481 1.00 0.00 O ATOM 1305 CB TYR A 77 79.343 12.832 9.198 1.00 0.00 C ATOM 1306 CG TYR A 77 78.626 11.850 10.094 1.00 0.00 C ATOM 1307 CD1 TYR A 77 78.204 10.616 9.584 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.382 12.175 11.434 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.540 9.706 10.416 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.718 11.265 12.264 1.00 0.00 C ATOM 1311 CZ TYR A 77 77.297 10.030 11.755 1.00 0.00 C ATOM 1312 OH TYR A 77 76.642 9.133 12.574 1.00 0.00 O ATOM 0 H TYR A 77 79.816 14.712 7.566 1.00 0.00 H new ATOM 0 HA TYR A 77 78.384 12.152 7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.322 12.441 8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.512 13.769 9.729 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.390 10.366 8.550 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.706 13.127 11.827 1.00 0.00 H new ATOM 0 HE1 TYR A 77 77.215 8.754 10.024 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.530 11.515 13.298 1.00 0.00 H new ATOM 0 HH TYR A 77 76.556 9.514 13.473 1.00 0.00 H new ATOM 1322 N ARG A 78 76.462 14.310 7.493 1.00 0.00 N ATOM 1323 CA ARG A 78 75.134 14.861 7.857 1.00 0.00 C ATOM 1324 C ARG A 78 74.330 15.169 6.591 1.00 0.00 C ATOM 1325 O ARG A 78 73.494 16.049 6.577 1.00 0.00 O ATOM 1326 CB ARG A 78 75.328 16.144 8.678 1.00 0.00 C ATOM 1327 CG ARG A 78 75.637 17.320 7.748 1.00 0.00 C ATOM 1328 CD ARG A 78 76.853 18.080 8.277 1.00 0.00 C ATOM 1329 NE ARG A 78 76.400 19.251 9.078 1.00 0.00 N ATOM 1330 CZ ARG A 78 77.155 19.719 10.034 1.00 0.00 C ATOM 1331 NH1 ARG A 78 77.774 18.898 10.837 1.00 0.00 N ATOM 1332 NH2 ARG A 78 77.289 21.007 10.188 1.00 0.00 N ATOM 0 H ARG A 78 76.775 14.516 6.544 1.00 0.00 H new ATOM 0 HA ARG A 78 74.587 14.128 8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.429 16.354 9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.142 16.010 9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 78 75.832 16.958 6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 78 74.776 17.986 7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 78 77.467 17.422 8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.476 18.413 7.447 1.00 0.00 H new ATOM 0 HE ARG A 78 75.500 19.687 8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 78 77.668 17.891 10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 78 78.364 19.264 11.584 1.00 0.00 H new ATOM 0 HH21 ARG A 78 76.804 21.649 9.561 1.00 0.00 H new ATOM 0 HH22 ARG A 78 77.879 21.373 10.935 1.00 0.00 H new ATOM 1346 N ALA A 79 74.572 14.453 5.527 1.00 0.00 N ATOM 1347 CA ALA A 79 73.817 14.715 4.279 1.00 0.00 C ATOM 1348 C ALA A 79 73.253 13.413 3.735 1.00 0.00 C ATOM 1349 O ALA A 79 72.058 13.193 3.734 1.00 0.00 O ATOM 1350 CB ALA A 79 74.738 15.359 3.243 1.00 0.00 C ATOM 0 H ALA A 79 75.259 13.701 5.472 1.00 0.00 H new ATOM 0 HA ALA A 79 72.993 15.396 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.178 15.550 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.124 16.300 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.569 14.687 3.027 1.00 0.00 H new ATOM 1356 N LEU A 80 74.100 12.542 3.290 1.00 0.00 N ATOM 1357 CA LEU A 80 73.607 11.243 2.765 1.00 0.00 C ATOM 1358 C LEU A 80 73.178 10.370 3.943 1.00 0.00 C ATOM 1359 O LEU A 80 72.741 9.250 3.771 1.00 0.00 O ATOM 1360 CB LEU A 80 74.718 10.546 1.978 1.00 0.00 C ATOM 1361 CG LEU A 80 74.563 10.863 0.490 1.00 0.00 C ATOM 1362 CD1 LEU A 80 75.162 12.240 0.196 1.00 0.00 C ATOM 1363 CD2 LEU A 80 75.296 9.803 -0.335 1.00 0.00 C ATOM 0 H LEU A 80 75.112 12.669 3.265 1.00 0.00 H new ATOM 0 HA LEU A 80 72.760 11.409 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.694 10.879 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 80 74.671 9.469 2.138 1.00 0.00 H new ATOM 0 HG LEU A 80 73.505 10.863 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 80 75.052 12.466 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 80 74.642 12.996 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.220 12.240 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 80 75.186 10.028 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 80 76.354 9.804 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 80 74.871 8.821 -0.126 1.00 0.00 H new ATOM 1375 N ILE A 81 73.279 10.881 5.142 1.00 0.00 N ATOM 1376 CA ILE A 81 72.855 10.091 6.319 1.00 0.00 C ATOM 1377 C ILE A 81 71.335 10.210 6.424 1.00 0.00 C ATOM 1378 O ILE A 81 70.640 9.265 6.737 1.00 0.00 O ATOM 1379 CB ILE A 81 73.561 10.616 7.593 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.602 11.444 8.456 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.764 11.480 7.216 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.647 10.499 9.181 1.00 0.00 C ATOM 0 H ILE A 81 73.638 11.813 5.350 1.00 0.00 H new ATOM 0 HA ILE A 81 73.133 9.042 6.213 1.00 0.00 H new ATOM 0 HB ILE A 81 73.894 9.750 8.165 1.00 0.00 H new ATOM 0 HG12 ILE A 81 73.162 12.039 9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 81 72.042 12.141 7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 81 75.250 11.842 8.122 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.471 10.886 6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.430 12.329 6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.960 11.079 9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 81 71.080 9.923 8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 81 72.218 9.820 9.814 1.00 0.00 H new ATOM 1394 N GLU A 82 70.824 11.374 6.145 1.00 0.00 N ATOM 1395 CA GLU A 82 69.358 11.581 6.203 1.00 0.00 C ATOM 1396 C GLU A 82 68.740 11.164 4.866 1.00 0.00 C ATOM 1397 O GLU A 82 67.579 10.812 4.793 1.00 0.00 O ATOM 1398 CB GLU A 82 69.059 13.057 6.470 1.00 0.00 C ATOM 1399 CG GLU A 82 69.068 13.316 7.978 1.00 0.00 C ATOM 1400 CD GLU A 82 68.183 14.522 8.295 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.864 15.257 7.374 1.00 0.00 O ATOM 1402 OE2 GLU A 82 67.840 14.692 9.453 1.00 0.00 O ATOM 0 H GLU A 82 71.366 12.196 5.877 1.00 0.00 H new ATOM 0 HA GLU A 82 68.933 10.979 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.803 13.684 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.089 13.324 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.706 12.436 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 82 70.087 13.499 8.320 1.00 0.00 H new ATOM 1409 N LYS A 83 69.505 11.199 3.803 1.00 0.00 N ATOM 1410 CA LYS A 83 68.955 10.803 2.482 1.00 0.00 C ATOM 1411 C LYS A 83 68.915 9.279 2.380 1.00 0.00 C ATOM 1412 O LYS A 83 67.929 8.696 1.974 1.00 0.00 O ATOM 1413 CB LYS A 83 69.841 11.365 1.368 1.00 0.00 C ATOM 1414 CG LYS A 83 69.801 12.894 1.403 1.00 0.00 C ATOM 1415 CD LYS A 83 70.477 13.451 0.149 1.00 0.00 C ATOM 1416 CE LYS A 83 69.421 13.721 -0.924 1.00 0.00 C ATOM 1417 NZ LYS A 83 69.943 13.296 -2.254 1.00 0.00 N ATOM 0 H LYS A 83 70.484 11.485 3.799 1.00 0.00 H new ATOM 0 HA LYS A 83 67.945 11.200 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 83 70.866 11.015 1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.497 11.004 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.769 13.240 1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.307 13.261 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.010 14.371 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 83 71.216 12.742 -0.224 1.00 0.00 H new ATOM 0 HE2 LYS A 83 68.504 13.179 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 83 69.169 14.781 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 69.225 13.480 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 70.806 13.832 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 70.162 12.280 -2.232 1.00 0.00 H new ATOM 1431 N LEU A 84 69.985 8.631 2.744 1.00 0.00 N ATOM 1432 CA LEU A 84 70.025 7.148 2.668 1.00 0.00 C ATOM 1433 C LEU A 84 69.473 6.551 3.962 1.00 0.00 C ATOM 1434 O LEU A 84 68.521 5.795 3.955 1.00 0.00 O ATOM 1435 CB LEU A 84 71.472 6.691 2.474 1.00 0.00 C ATOM 1436 CG LEU A 84 71.953 7.101 1.083 1.00 0.00 C ATOM 1437 CD1 LEU A 84 73.310 7.798 1.196 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.092 5.855 0.205 1.00 0.00 C ATOM 0 H LEU A 84 70.838 9.069 3.093 1.00 0.00 H new ATOM 0 HA LEU A 84 69.417 6.811 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.111 7.136 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 84 71.542 5.610 2.591 1.00 0.00 H new ATOM 0 HG LEU A 84 71.231 7.784 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 84 73.653 8.090 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 84 73.212 8.685 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.033 7.116 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 84 72.435 6.146 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 84 72.814 5.173 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.126 5.358 0.124 1.00 0.00 H new ATOM 1450 N GLY A 85 70.071 6.880 5.068 1.00 0.00 N ATOM 1451 CA GLY A 85 69.596 6.332 6.369 1.00 0.00 C ATOM 1452 C GLY A 85 70.793 5.781 7.144 1.00 0.00 C ATOM 1453 O GLY A 85 71.071 4.599 7.119 1.00 0.00 O ATOM 0 H GLY A 85 70.873 7.508 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.100 7.112 6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 85 68.862 5.544 6.200 1.00 0.00 H new ATOM 1457 N ILE A 86 71.517 6.634 7.813 1.00 0.00 N ATOM 1458 CA ILE A 86 72.697 6.195 8.562 1.00 0.00 C ATOM 1459 C ILE A 86 72.286 5.760 9.973 1.00 0.00 C ATOM 1460 O ILE A 86 72.765 4.775 10.497 1.00 0.00 O ATOM 1461 CB ILE A 86 73.632 7.398 8.602 1.00 0.00 C ATOM 1462 CG1 ILE A 86 75.058 6.926 8.444 1.00 0.00 C ATOM 1463 CG2 ILE A 86 73.470 8.179 9.907 1.00 0.00 C ATOM 1464 CD1 ILE A 86 75.511 6.215 9.717 1.00 0.00 C ATOM 0 H ILE A 86 71.326 7.635 7.865 1.00 0.00 H new ATOM 0 HA ILE A 86 73.187 5.338 8.099 1.00 0.00 H new ATOM 0 HB ILE A 86 73.377 8.069 7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 86 75.135 6.250 7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 86 75.711 7.774 8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 86 74.149 9.031 9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 86 72.443 8.533 9.994 1.00 0.00 H new ATOM 0 HG23 ILE A 86 73.702 7.529 10.751 1.00 0.00 H new ATOM 0 HD11 ILE A 86 76.540 5.876 9.598 1.00 0.00 H new ATOM 0 HD12 ILE A 86 75.451 6.904 10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.866 5.356 9.903 1.00 0.00 H new ATOM 1476 N ARG A 87 71.399 6.490 10.583 1.00 0.00 N ATOM 1477 CA ARG A 87 70.946 6.128 11.950 1.00 0.00 C ATOM 1478 C ARG A 87 70.403 4.712 11.947 1.00 0.00 C ATOM 1479 O ARG A 87 70.314 4.047 12.959 1.00 0.00 O ATOM 1480 CB ARG A 87 69.847 7.090 12.378 1.00 0.00 C ATOM 1481 CG ARG A 87 70.344 8.530 12.243 1.00 0.00 C ATOM 1482 CD ARG A 87 69.484 9.276 11.222 1.00 0.00 C ATOM 1483 NE ARG A 87 68.104 9.437 11.761 1.00 0.00 N ATOM 1484 CZ ARG A 87 67.273 10.266 11.189 1.00 0.00 C ATOM 1485 NH1 ARG A 87 67.007 10.150 9.917 1.00 0.00 N ATOM 1486 NH2 ARG A 87 66.709 11.213 11.890 1.00 0.00 N ATOM 0 H ARG A 87 70.966 7.326 10.191 1.00 0.00 H new ATOM 0 HA ARG A 87 71.784 6.191 12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 87 68.960 6.942 11.762 1.00 0.00 H new ATOM 0 HB3 ARG A 87 69.556 6.890 13.409 1.00 0.00 H new ATOM 0 HG2 ARG A 87 70.298 9.033 13.209 1.00 0.00 H new ATOM 0 HG3 ARG A 87 71.388 8.537 11.929 1.00 0.00 H new ATOM 0 HD2 ARG A 87 69.919 10.252 11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 87 69.457 8.726 10.281 1.00 0.00 H new ATOM 0 HE ARG A 87 67.809 8.900 12.576 1.00 0.00 H new ATOM 0 HH11 ARG A 87 67.448 9.411 9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 87 66.358 10.798 9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 87 66.918 11.305 12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 87 66.060 11.861 11.443 1.00 0.00 H new ATOM 1500 N GLY A 88 70.045 4.269 10.802 1.00 0.00 N ATOM 1501 CA GLY A 88 69.495 2.893 10.651 1.00 0.00 C ATOM 1502 C GLY A 88 69.478 2.510 9.170 1.00 0.00 C ATOM 1503 O GLY A 88 68.479 1.965 8.729 1.00 0.00 O ATOM 1504 OXT GLY A 88 70.466 2.769 8.501 1.00 0.00 O ATOM 0 H GLY A 88 70.105 4.802 9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 88 70.102 2.184 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 88 68.486 2.846 11.061 1.00 0.00 H new TER 1508 GLY A 88