USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 982 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 83 HIS :FLIP no HE2:sc= 0.0243 F(o=0.63,f=1.3) USER MOD Set 1.2: A 100 THR OG1 : rot 85:sc= 1.3 USER MOD Set 2.1: A 71 SER OG : rot 180:sc= -0.531 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.0295 USER MOD Set 3.1: A 44 THR OG1 : rot -140:sc= 0.537 USER MOD Set 3.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 65 LYS NZ :NH3+ -179:sc= 0.394 (180deg=-0.211) USER MOD Set 4.1: A 62 TYR OH : rot 165:sc= -2.86! USER MOD Set 4.2: A 79 HIS : no HD1:sc= -0.959 X(o=-3.8,f=-4.1) USER MOD Set 5.1: A 54 GLN : amide:sc= -0.0132 K(o=-0.013,f=-0.64) USER MOD Set 5.2: A 97 GLN : amide:sc= 0 K(o=-0.013,f=-0.64) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0354 (180deg=-0.308) USER MOD Single : A 5 SER OG : rot 131:sc= 0.277 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 90:sc= -1.17 USER MOD Single : A 11 GLN : amide:sc= 0.701 K(o=0.7,f=-0.03) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 18 THR OG1 : rot 81:sc= 1.3 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0385 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 33 TYR OH : rot -13:sc= 0.101 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.4!) USER MOD Single : A 47 SER OG : rot 44:sc= 1.3 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.108) USER MOD Single : A 59 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.19) USER MOD Single : A 68 SER OG : rot 68:sc= 0.294 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 64:sc= 1.27 USER MOD Single : A 88 GLN : amide:sc= 0.312 K(o=0.31,f=-1.1) USER MOD Single : A 92 SER OG : rot 77:sc= 1.26 USER MOD Single : A 98 ASN : amide:sc= 0.22 K(o=0.22,f=-0.48) USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= -0.0947 (180deg=-0.581) USER MOD Single : A 108 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.13) USER MOD Single : A 112 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.017) USER MOD Single : A 115 HIS : no HE2:sc= -0.114 K(o=-0.11,f=-3.8!) USER MOD Single : A 116 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.0658 X(o=-0.066,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.870 15.236 -12.216 1.00 0.00 N ATOM 2 CA MET A 1 14.838 16.127 -11.032 1.00 0.00 C ATOM 3 C MET A 1 13.401 16.460 -10.649 1.00 0.00 C ATOM 4 O MET A 1 13.041 16.421 -9.473 1.00 0.00 O ATOM 5 CB MET A 1 15.616 17.417 -11.310 1.00 0.00 C ATOM 6 CG MET A 1 17.078 17.183 -11.641 1.00 0.00 C ATOM 7 SD MET A 1 17.969 18.708 -11.987 1.00 0.00 S ATOM 8 CE MET A 1 19.598 18.064 -12.352 1.00 0.00 C ATOM 0 H1 MET A 1 15.822 14.831 -12.320 1.00 0.00 H new ATOM 0 H2 MET A 1 14.179 14.469 -12.092 1.00 0.00 H new ATOM 0 H3 MET A 1 14.631 15.782 -13.068 1.00 0.00 H new ATOM 0 HA MET A 1 15.310 15.603 -10.201 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.144 17.945 -12.139 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.549 18.067 -10.438 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.557 16.669 -10.807 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.149 16.522 -12.505 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.271 18.889 -12.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.978 17.522 -11.486 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.539 17.388 -13.205 1.00 0.00 H new ATOM 20 N ILE A 2 12.578 16.784 -11.639 1.00 0.00 N ATOM 21 CA ILE A 2 11.173 17.074 -11.388 1.00 0.00 C ATOM 22 C ILE A 2 10.348 15.789 -11.446 1.00 0.00 C ATOM 23 O ILE A 2 10.564 14.936 -12.310 1.00 0.00 O ATOM 24 CB ILE A 2 10.611 18.115 -12.390 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.157 18.466 -12.050 1.00 0.00 C ATOM 26 CG2 ILE A 2 10.716 17.602 -13.819 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.551 19.511 -12.963 1.00 0.00 C ATOM 0 H ILE A 2 12.858 16.852 -12.618 1.00 0.00 H new ATOM 0 HA ILE A 2 11.100 17.504 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 2 11.211 19.021 -12.308 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.553 17.560 -12.099 1.00 0.00 H new ATOM 0 HG13 ILE A 2 9.110 18.824 -11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.316 18.349 -14.504 1.00 0.00 H new ATOM 0 HG22 ILE A 2 11.761 17.411 -14.061 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.146 16.678 -13.917 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.522 19.706 -12.660 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.130 20.432 -12.896 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.564 19.148 -13.991 1.00 0.00 H new ATOM 39 N GLU A 3 9.424 15.645 -10.510 1.00 0.00 N ATOM 40 CA GLU A 3 8.571 14.471 -10.453 1.00 0.00 C ATOM 41 C GLU A 3 7.187 14.876 -9.960 1.00 0.00 C ATOM 42 O GLU A 3 7.067 15.527 -8.919 1.00 0.00 O ATOM 43 CB GLU A 3 9.197 13.415 -9.538 1.00 0.00 C ATOM 44 CG GLU A 3 8.527 12.055 -9.614 1.00 0.00 C ATOM 45 CD GLU A 3 9.365 10.967 -8.978 1.00 0.00 C ATOM 46 OE1 GLU A 3 10.273 10.441 -9.656 1.00 0.00 O ATOM 47 OE2 GLU A 3 9.128 10.633 -7.798 1.00 0.00 O ATOM 0 H GLU A 3 9.246 16.331 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 3 8.472 14.037 -11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.250 13.304 -9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.157 13.771 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.558 12.101 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.339 11.803 -10.658 1.00 0.00 H new ATOM 54 N PRO A 4 6.131 14.520 -10.719 1.00 0.00 N ATOM 55 CA PRO A 4 4.750 14.929 -10.431 1.00 0.00 C ATOM 56 C PRO A 4 4.347 14.700 -8.977 1.00 0.00 C ATOM 57 O PRO A 4 4.121 15.659 -8.243 1.00 0.00 O ATOM 58 CB PRO A 4 3.897 14.055 -11.366 1.00 0.00 C ATOM 59 CG PRO A 4 4.837 13.054 -11.957 1.00 0.00 C ATOM 60 CD PRO A 4 6.197 13.685 -11.923 1.00 0.00 C ATOM 0 HA PRO A 4 4.619 15.999 -10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 4 3.095 13.562 -10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.427 14.657 -12.144 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.825 12.125 -11.387 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.549 12.805 -12.978 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.989 12.939 -11.856 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.392 14.277 -12.817 1.00 0.00 H new ATOM 68 N SER A 5 4.295 13.431 -8.576 1.00 0.00 N ATOM 69 CA SER A 5 3.883 13.023 -7.229 1.00 0.00 C ATOM 70 C SER A 5 2.596 13.724 -6.772 1.00 0.00 C ATOM 71 O SER A 5 1.496 13.295 -7.130 1.00 0.00 O ATOM 72 CB SER A 5 5.021 13.228 -6.212 1.00 0.00 C ATOM 73 OG SER A 5 5.491 14.568 -6.198 1.00 0.00 O ATOM 0 H SER A 5 4.540 12.647 -9.181 1.00 0.00 H new ATOM 0 HA SER A 5 3.660 11.957 -7.278 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.670 12.957 -5.216 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.846 12.558 -6.452 1.00 0.00 H new ATOM 0 HG SER A 5 5.532 14.891 -5.274 1.00 0.00 H new ATOM 79 N LYS A 6 2.753 14.816 -6.013 1.00 0.00 N ATOM 80 CA LYS A 6 1.633 15.569 -5.442 1.00 0.00 C ATOM 81 C LYS A 6 0.829 14.713 -4.469 1.00 0.00 C ATOM 82 O LYS A 6 1.034 14.779 -3.254 1.00 0.00 O ATOM 83 CB LYS A 6 0.723 16.141 -6.537 1.00 0.00 C ATOM 84 CG LYS A 6 1.400 17.194 -7.399 1.00 0.00 C ATOM 85 CD LYS A 6 0.459 17.733 -8.460 1.00 0.00 C ATOM 86 CE LYS A 6 1.131 18.805 -9.301 1.00 0.00 C ATOM 87 NZ LYS A 6 0.225 19.341 -10.352 1.00 0.00 N ATOM 0 H LYS A 6 3.667 15.203 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 6 2.057 16.406 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.379 15.327 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.161 16.577 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.747 18.013 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.280 16.764 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.128 16.918 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.431 18.146 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.458 19.620 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.024 18.391 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.724 20.069 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.068 18.569 -10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.616 19.760 -9.905 1.00 0.00 H new ATOM 101 N ILE A 7 -0.068 13.898 -5.001 1.00 0.00 N ATOM 102 CA ILE A 7 -0.889 13.032 -4.179 1.00 0.00 C ATOM 103 C ILE A 7 -0.265 11.634 -4.110 1.00 0.00 C ATOM 104 O ILE A 7 -0.693 10.688 -4.778 1.00 0.00 O ATOM 105 CB ILE A 7 -2.356 12.983 -4.685 1.00 0.00 C ATOM 106 CG1 ILE A 7 -3.197 12.023 -3.833 1.00 0.00 C ATOM 107 CG2 ILE A 7 -2.422 12.609 -6.163 1.00 0.00 C ATOM 108 CD1 ILE A 7 -4.665 11.994 -4.209 1.00 0.00 C ATOM 0 H ILE A 7 -0.244 13.820 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.923 13.444 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.777 13.983 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.788 11.017 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.106 12.308 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.463 12.583 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.878 13.349 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.972 11.627 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.192 11.293 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.091 12.990 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.769 11.679 -5.247 1.00 0.00 H new ATOM 120 N THR A 8 0.793 11.535 -3.328 1.00 0.00 N ATOM 121 CA THR A 8 1.518 10.290 -3.178 1.00 0.00 C ATOM 122 C THR A 8 1.101 9.594 -1.882 1.00 0.00 C ATOM 123 O THR A 8 0.393 10.176 -1.057 1.00 0.00 O ATOM 124 CB THR A 8 3.038 10.549 -3.176 1.00 0.00 C ATOM 125 OG1 THR A 8 3.349 11.603 -4.093 1.00 0.00 O ATOM 126 CG2 THR A 8 3.817 9.302 -3.574 1.00 0.00 C ATOM 0 H THR A 8 1.171 12.310 -2.783 1.00 0.00 H new ATOM 0 HA THR A 8 1.278 9.643 -4.021 1.00 0.00 H new ATOM 0 HB THR A 8 3.326 10.830 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.312 12.464 -3.626 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.885 9.521 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.603 8.499 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.521 8.993 -4.577 1.00 0.00 H new ATOM 134 N VAL A 9 1.541 8.354 -1.713 1.00 0.00 N ATOM 135 CA VAL A 9 1.176 7.545 -0.556 1.00 0.00 C ATOM 136 C VAL A 9 1.563 8.228 0.755 1.00 0.00 C ATOM 137 O VAL A 9 0.765 8.293 1.690 1.00 0.00 O ATOM 138 CB VAL A 9 1.849 6.157 -0.622 1.00 0.00 C ATOM 139 CG1 VAL A 9 1.383 5.270 0.522 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.576 5.490 -1.963 1.00 0.00 C ATOM 0 H VAL A 9 2.159 7.881 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 9 0.093 7.426 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 9 2.925 6.300 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.872 4.298 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.640 5.738 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.303 5.137 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.059 4.513 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.501 5.367 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.972 6.112 -2.766 1.00 0.00 H new ATOM 150 N GLU A 10 2.780 8.759 0.810 1.00 0.00 N ATOM 151 CA GLU A 10 3.292 9.360 2.036 1.00 0.00 C ATOM 152 C GLU A 10 2.484 10.592 2.448 1.00 0.00 C ATOM 153 O GLU A 10 2.278 10.836 3.638 1.00 0.00 O ATOM 154 CB GLU A 10 4.790 9.687 1.898 1.00 0.00 C ATOM 155 CG GLU A 10 5.236 10.099 0.496 1.00 0.00 C ATOM 156 CD GLU A 10 4.804 11.498 0.105 1.00 0.00 C ATOM 157 OE1 GLU A 10 5.497 12.464 0.480 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.782 11.635 -0.593 1.00 0.00 O ATOM 0 H GLU A 10 3.428 8.785 0.023 1.00 0.00 H new ATOM 0 HA GLU A 10 3.179 8.628 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.036 10.491 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.366 8.814 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.322 10.034 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.834 9.389 -0.227 1.00 0.00 H new ATOM 165 N GLN A 11 2.008 11.344 1.466 1.00 0.00 N ATOM 166 CA GLN A 11 1.194 12.520 1.729 1.00 0.00 C ATOM 167 C GLN A 11 -0.195 12.124 2.213 1.00 0.00 C ATOM 168 O GLN A 11 -0.728 12.727 3.149 1.00 0.00 O ATOM 169 CB GLN A 11 1.082 13.386 0.471 1.00 0.00 C ATOM 170 CG GLN A 11 0.207 14.621 0.644 1.00 0.00 C ATOM 171 CD GLN A 11 0.724 15.575 1.706 1.00 0.00 C ATOM 172 OE1 GLN A 11 1.503 16.482 1.419 1.00 0.00 O ATOM 173 NE2 GLN A 11 0.286 15.384 2.940 1.00 0.00 N ATOM 0 H GLN A 11 2.173 11.159 0.477 1.00 0.00 H new ATOM 0 HA GLN A 11 1.682 13.097 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.081 13.701 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.680 12.779 -0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.141 15.148 -0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.804 14.309 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.360 14.620 3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.594 16.001 3.692 1.00 0.00 H new ATOM 182 N TRP A 12 -0.781 11.112 1.579 1.00 0.00 N ATOM 183 CA TRP A 12 -2.125 10.682 1.938 1.00 0.00 C ATOM 184 C TRP A 12 -2.155 10.139 3.360 1.00 0.00 C ATOM 185 O TRP A 12 -2.960 10.584 4.172 1.00 0.00 O ATOM 186 CB TRP A 12 -2.660 9.634 0.958 1.00 0.00 C ATOM 187 CG TRP A 12 -4.089 9.270 1.237 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.156 10.120 1.249 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.608 7.971 1.549 1.00 0.00 C ATOM 190 NE1 TRP A 12 -6.304 9.433 1.555 1.00 0.00 N ATOM 191 CE2 TRP A 12 -5.995 8.112 1.742 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.037 6.701 1.684 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -6.816 7.036 2.066 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -4.854 5.633 2.006 1.00 0.00 C ATOM 195 CH2 TRP A 12 -6.232 5.807 2.192 1.00 0.00 C ATOM 0 H TRP A 12 -0.350 10.581 0.822 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.774 11.556 1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.577 10.016 -0.060 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.042 8.738 1.014 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.105 11.180 1.047 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.236 9.840 1.631 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.976 6.557 1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -7.878 7.168 2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.423 4.649 2.116 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.845 4.953 2.440 1.00 0.00 H new ATOM 206 N LEU A 13 -1.263 9.199 3.660 1.00 0.00 N ATOM 207 CA LEU A 13 -1.194 8.609 4.998 1.00 0.00 C ATOM 208 C LEU A 13 -0.930 9.677 6.053 1.00 0.00 C ATOM 209 O LEU A 13 -1.504 9.640 7.141 1.00 0.00 O ATOM 210 CB LEU A 13 -0.111 7.524 5.067 1.00 0.00 C ATOM 211 CG LEU A 13 -0.557 6.107 4.682 1.00 0.00 C ATOM 212 CD1 LEU A 13 -1.690 5.640 5.584 1.00 0.00 C ATOM 213 CD2 LEU A 13 -0.973 6.043 3.221 1.00 0.00 C ATOM 0 H LEU A 13 -0.580 8.829 2.999 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.160 8.148 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.711 7.816 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.284 7.496 6.082 1.00 0.00 H new ATOM 0 HG LEU A 13 0.292 5.437 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.993 4.633 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.352 5.635 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.538 6.317 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.284 5.028 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.803 6.729 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.131 6.327 2.590 1.00 0.00 H new ATOM 225 N ASN A 14 -0.080 10.641 5.711 1.00 0.00 N ATOM 226 CA ASN A 14 0.259 11.729 6.623 1.00 0.00 C ATOM 227 C ASN A 14 -0.989 12.519 7.006 1.00 0.00 C ATOM 228 O ASN A 14 -1.207 12.820 8.180 1.00 0.00 O ATOM 229 CB ASN A 14 1.302 12.655 5.984 1.00 0.00 C ATOM 230 CG ASN A 14 1.774 13.748 6.924 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.765 13.587 8.144 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.214 14.862 6.360 1.00 0.00 N ATOM 0 H ASN A 14 0.388 10.691 4.806 1.00 0.00 H new ATOM 0 HA ASN A 14 0.684 11.298 7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.159 12.063 5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.877 13.110 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.562 15.625 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.205 14.957 5.345 1.00 0.00 H new ATOM 239 N ARG A 15 -1.820 12.835 6.021 1.00 0.00 N ATOM 240 CA ARG A 15 -3.051 13.565 6.288 1.00 0.00 C ATOM 241 C ARG A 15 -4.098 12.643 6.904 1.00 0.00 C ATOM 242 O ARG A 15 -4.845 13.049 7.789 1.00 0.00 O ATOM 243 CB ARG A 15 -3.612 14.198 5.013 1.00 0.00 C ATOM 244 CG ARG A 15 -4.884 14.993 5.263 1.00 0.00 C ATOM 245 CD ARG A 15 -5.531 15.467 3.974 1.00 0.00 C ATOM 246 NE ARG A 15 -6.825 16.094 4.230 1.00 0.00 N ATOM 247 CZ ARG A 15 -7.867 16.027 3.401 1.00 0.00 C ATOM 248 NH1 ARG A 15 -7.749 15.433 2.222 1.00 0.00 N ATOM 249 NH2 ARG A 15 -9.024 16.575 3.748 1.00 0.00 N ATOM 0 H ARG A 15 -1.666 12.600 5.040 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.812 14.361 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.859 14.854 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.816 13.415 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.592 14.376 5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.654 15.855 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.873 16.177 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.661 14.622 3.298 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.939 16.617 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.857 15.024 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.550 15.385 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.115 17.047 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.822 16.525 3.115 1.00 0.00 H new ATOM 263 N TRP A 16 -4.130 11.400 6.430 1.00 0.00 N ATOM 264 CA TRP A 16 -5.110 10.412 6.871 1.00 0.00 C ATOM 265 C TRP A 16 -5.145 10.305 8.391 1.00 0.00 C ATOM 266 O TRP A 16 -6.187 10.515 9.008 1.00 0.00 O ATOM 267 CB TRP A 16 -4.790 9.045 6.251 1.00 0.00 C ATOM 268 CG TRP A 16 -5.773 7.967 6.601 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.974 7.722 5.997 1.00 0.00 C ATOM 270 CD2 TRP A 16 -5.634 6.979 7.630 1.00 0.00 C ATOM 271 NE1 TRP A 16 -7.590 6.649 6.592 1.00 0.00 N ATOM 272 CE2 TRP A 16 -6.789 6.176 7.596 1.00 0.00 C ATOM 273 CE3 TRP A 16 -4.648 6.699 8.579 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -6.980 5.112 8.471 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -4.838 5.643 9.447 1.00 0.00 C ATOM 276 CH2 TRP A 16 -5.997 4.860 9.388 1.00 0.00 C ATOM 0 H TRP A 16 -3.477 11.050 5.729 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.095 10.738 6.536 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.753 9.150 5.167 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.797 8.735 6.575 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.379 8.289 5.172 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.498 6.266 6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.752 7.299 8.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -7.873 4.506 8.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -4.081 5.417 10.183 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.117 4.040 10.081 1.00 0.00 H new ATOM 287 N LEU A 17 -4.004 10.008 8.995 1.00 0.00 N ATOM 288 CA LEU A 17 -3.945 9.826 10.438 1.00 0.00 C ATOM 289 C LEU A 17 -4.166 11.146 11.175 1.00 0.00 C ATOM 290 O LEU A 17 -4.799 11.177 12.226 1.00 0.00 O ATOM 291 CB LEU A 17 -2.616 9.165 10.851 1.00 0.00 C ATOM 292 CG LEU A 17 -1.326 9.854 10.382 1.00 0.00 C ATOM 293 CD1 LEU A 17 -0.881 10.922 11.371 1.00 0.00 C ATOM 294 CD2 LEU A 17 -0.226 8.825 10.177 1.00 0.00 C ATOM 0 H LEU A 17 -3.113 9.889 8.513 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.755 9.156 10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.591 9.102 11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.613 8.143 10.472 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.530 10.346 9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.035 11.392 11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.662 11.676 11.468 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.696 10.464 12.343 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.683 9.326 9.845 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.032 8.307 11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.539 8.103 9.423 1.00 0.00 H new ATOM 306 N THR A 18 -3.680 12.237 10.602 1.00 0.00 N ATOM 307 CA THR A 18 -3.779 13.542 11.246 1.00 0.00 C ATOM 308 C THR A 18 -5.221 14.052 11.255 1.00 0.00 C ATOM 309 O THR A 18 -5.668 14.672 12.222 1.00 0.00 O ATOM 310 CB THR A 18 -2.874 14.577 10.542 1.00 0.00 C ATOM 311 OG1 THR A 18 -1.528 14.082 10.474 1.00 0.00 O ATOM 312 CG2 THR A 18 -2.885 15.910 11.280 1.00 0.00 C ATOM 0 H THR A 18 -3.214 12.247 9.695 1.00 0.00 H new ATOM 0 HA THR A 18 -3.445 13.416 12.276 1.00 0.00 H new ATOM 0 HB THR A 18 -3.262 14.735 9.536 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.444 13.465 9.717 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.239 16.618 10.761 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.902 16.301 11.310 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.522 15.766 12.297 1.00 0.00 H new ATOM 320 N ASP A 19 -5.945 13.773 10.181 1.00 0.00 N ATOM 321 CA ASP A 19 -7.295 14.298 10.009 1.00 0.00 C ATOM 322 C ASP A 19 -8.347 13.317 10.516 1.00 0.00 C ATOM 323 O ASP A 19 -9.252 13.698 11.261 1.00 0.00 O ATOM 324 CB ASP A 19 -7.548 14.608 8.531 1.00 0.00 C ATOM 325 CG ASP A 19 -8.858 15.332 8.291 1.00 0.00 C ATOM 326 OD1 ASP A 19 -9.910 14.672 8.224 1.00 0.00 O ATOM 327 OD2 ASP A 19 -8.834 16.573 8.146 1.00 0.00 O ATOM 0 H ASP A 19 -5.621 13.185 9.413 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.376 15.212 10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.728 15.216 8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.546 13.677 7.965 1.00 0.00 H new ATOM 332 N TYR A 20 -8.208 12.051 10.141 1.00 0.00 N ATOM 333 CA TYR A 20 -9.262 11.070 10.377 1.00 0.00 C ATOM 334 C TYR A 20 -9.074 10.281 11.671 1.00 0.00 C ATOM 335 O TYR A 20 -9.879 9.393 11.964 1.00 0.00 O ATOM 336 CB TYR A 20 -9.360 10.100 9.200 1.00 0.00 C ATOM 337 CG TYR A 20 -9.827 10.740 7.914 1.00 0.00 C ATOM 338 CD1 TYR A 20 -11.128 11.211 7.787 1.00 0.00 C ATOM 339 CD2 TYR A 20 -8.975 10.861 6.824 1.00 0.00 C ATOM 340 CE1 TYR A 20 -11.567 11.783 6.608 1.00 0.00 C ATOM 341 CE2 TYR A 20 -9.406 11.435 5.645 1.00 0.00 C ATOM 342 CZ TYR A 20 -10.701 11.894 5.542 1.00 0.00 C ATOM 343 OH TYR A 20 -11.137 12.450 4.362 1.00 0.00 O ATOM 0 H TYR A 20 -7.380 11.680 9.674 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.187 11.637 10.477 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.383 9.646 9.034 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.045 9.294 9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.807 11.129 8.623 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.960 10.501 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.582 12.141 6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.731 11.524 4.807 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.404 12.455 3.712 1.00 0.00 H new ATOM 353 N ALA A 21 -8.026 10.572 12.438 1.00 0.00 N ATOM 354 CA ALA A 21 -7.863 9.932 13.741 1.00 0.00 C ATOM 355 C ALA A 21 -9.046 10.269 14.636 1.00 0.00 C ATOM 356 O ALA A 21 -9.758 9.378 15.099 1.00 0.00 O ATOM 357 CB ALA A 21 -6.568 10.364 14.410 1.00 0.00 C ATOM 0 H ALA A 21 -7.291 11.233 12.187 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.820 8.854 13.585 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.476 9.871 15.378 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.723 10.087 13.780 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.575 11.445 14.553 1.00 0.00 H new ATOM 363 N LYS A 22 -9.247 11.569 14.851 1.00 0.00 N ATOM 364 CA LYS A 22 -10.345 12.083 15.665 1.00 0.00 C ATOM 365 C LYS A 22 -10.334 11.455 17.057 1.00 0.00 C ATOM 366 O LYS A 22 -11.055 10.493 17.320 1.00 0.00 O ATOM 367 CB LYS A 22 -11.693 11.836 14.977 1.00 0.00 C ATOM 368 CG LYS A 22 -12.615 13.044 14.999 1.00 0.00 C ATOM 369 CD LYS A 22 -11.977 14.232 14.295 1.00 0.00 C ATOM 370 CE LYS A 22 -12.909 15.432 14.248 1.00 0.00 C ATOM 371 NZ LYS A 22 -12.262 16.609 13.608 1.00 0.00 N ATOM 0 H LYS A 22 -8.649 12.298 14.463 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.205 13.158 15.775 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.516 11.543 13.942 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.193 10.999 15.464 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.559 12.794 14.514 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.847 13.310 16.030 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.057 14.507 14.810 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.701 13.947 13.280 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.812 15.169 13.697 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.218 15.693 15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.929 17.407 13.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.414 16.875 14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.990 16.369 12.633 1.00 0.00 H new ATOM 385 N PRO A 23 -9.494 11.991 17.962 1.00 0.00 N ATOM 386 CA PRO A 23 -9.348 11.458 19.322 1.00 0.00 C ATOM 387 C PRO A 23 -10.671 11.421 20.076 1.00 0.00 C ATOM 388 O PRO A 23 -11.016 10.404 20.680 1.00 0.00 O ATOM 389 CB PRO A 23 -8.380 12.437 19.992 1.00 0.00 C ATOM 390 CG PRO A 23 -7.643 13.079 18.869 1.00 0.00 C ATOM 391 CD PRO A 23 -8.615 13.151 17.729 1.00 0.00 C ATOM 0 HA PRO A 23 -8.994 10.427 19.316 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.916 13.177 20.587 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.698 11.919 20.666 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.294 14.073 19.148 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.763 12.497 18.596 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.174 14.087 17.735 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.110 13.087 16.765 1.00 0.00 H new ATOM 399 N HIS A 24 -11.397 12.543 20.032 1.00 0.00 N ATOM 400 CA HIS A 24 -12.700 12.687 20.694 1.00 0.00 C ATOM 401 C HIS A 24 -12.553 12.636 22.211 1.00 0.00 C ATOM 402 O HIS A 24 -12.695 13.649 22.891 1.00 0.00 O ATOM 403 CB HIS A 24 -13.681 11.605 20.227 1.00 0.00 C ATOM 404 CG HIS A 24 -15.083 11.810 20.709 1.00 0.00 C ATOM 405 ND1 HIS A 24 -15.706 10.961 21.597 1.00 0.00 N ATOM 406 CD2 HIS A 24 -15.988 12.771 20.415 1.00 0.00 C ATOM 407 CE1 HIS A 24 -16.930 11.389 21.824 1.00 0.00 C ATOM 408 NE2 HIS A 24 -17.127 12.489 21.123 1.00 0.00 N ATOM 0 H HIS A 24 -11.097 13.381 19.534 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.100 13.662 20.415 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.682 11.575 19.137 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -13.327 10.634 20.572 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.840 13.606 19.746 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -17.652 10.918 22.475 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -17.986 13.039 21.110 1.00 0.00 H new ATOM 417 N LEU A 25 -12.263 11.453 22.725 1.00 0.00 N ATOM 418 CA LEU A 25 -12.107 11.247 24.151 1.00 0.00 C ATOM 419 C LEU A 25 -11.364 9.939 24.400 1.00 0.00 C ATOM 420 O LEU A 25 -11.970 8.926 24.751 1.00 0.00 O ATOM 421 CB LEU A 25 -13.477 11.223 24.833 1.00 0.00 C ATOM 422 CG LEU A 25 -13.443 11.292 26.357 1.00 0.00 C ATOM 423 CD1 LEU A 25 -12.838 12.609 26.812 1.00 0.00 C ATOM 424 CD2 LEU A 25 -14.841 11.120 26.922 1.00 0.00 C ATOM 0 H LEU A 25 -12.130 10.611 22.165 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.528 12.069 24.572 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.066 12.061 24.460 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.997 10.312 24.538 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.819 10.481 26.731 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.820 12.644 27.901 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.821 12.694 26.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.438 13.436 26.432 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.803 11.171 28.010 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.486 11.913 26.544 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.240 10.152 26.618 1.00 0.00 H new ATOM 436 N ARG A 26 -10.053 9.966 24.162 1.00 0.00 N ATOM 437 CA ARG A 26 -9.190 8.794 24.340 1.00 0.00 C ATOM 438 C ARG A 26 -9.580 7.658 23.395 1.00 0.00 C ATOM 439 O ARG A 26 -9.256 6.499 23.645 1.00 0.00 O ATOM 440 CB ARG A 26 -9.229 8.295 25.787 1.00 0.00 C ATOM 441 CG ARG A 26 -8.690 9.294 26.797 1.00 0.00 C ATOM 442 CD ARG A 26 -8.624 8.693 28.191 1.00 0.00 C ATOM 443 NE ARG A 26 -9.945 8.346 28.718 1.00 0.00 N ATOM 444 CZ ARG A 26 -10.375 7.094 28.897 1.00 0.00 C ATOM 445 NH1 ARG A 26 -9.599 6.066 28.572 1.00 0.00 N ATOM 446 NH2 ARG A 26 -11.581 6.881 29.406 1.00 0.00 N ATOM 0 H ARG A 26 -9.558 10.798 23.841 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.175 9.109 24.100 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.258 8.048 26.048 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.652 7.373 25.859 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.696 9.621 26.493 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.326 10.179 26.811 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.000 7.800 28.168 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.142 9.401 28.865 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.577 9.108 28.964 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.670 6.231 28.184 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.932 5.112 28.711 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.175 7.671 29.658 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.915 5.927 29.545 1.00 0.00 H new ATOM 460 N GLN A 27 -10.243 7.988 22.297 1.00 0.00 N ATOM 461 CA GLN A 27 -10.732 6.970 21.381 1.00 0.00 C ATOM 462 C GLN A 27 -9.824 6.839 20.160 1.00 0.00 C ATOM 463 O GLN A 27 -9.962 7.578 19.183 1.00 0.00 O ATOM 464 CB GLN A 27 -12.166 7.290 20.953 1.00 0.00 C ATOM 465 CG GLN A 27 -12.786 6.236 20.050 1.00 0.00 C ATOM 466 CD GLN A 27 -14.211 6.574 19.674 1.00 0.00 C ATOM 467 OE1 GLN A 27 -14.455 7.251 18.678 1.00 0.00 O ATOM 468 NE2 GLN A 27 -15.160 6.108 20.467 1.00 0.00 N ATOM 0 H GLN A 27 -10.454 8.947 22.020 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.725 6.013 21.903 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.785 7.402 21.843 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.175 8.249 20.436 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.187 6.137 19.145 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.764 5.270 20.554 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.913 5.550 21.284 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.139 6.307 20.262 1.00 0.00 H new ATOM 477 N SER A 28 -8.877 5.913 20.246 1.00 0.00 N ATOM 478 CA SER A 28 -7.985 5.605 19.139 1.00 0.00 C ATOM 479 C SER A 28 -7.262 4.289 19.419 1.00 0.00 C ATOM 480 O SER A 28 -6.253 4.253 20.128 1.00 0.00 O ATOM 481 CB SER A 28 -6.977 6.739 18.917 1.00 0.00 C ATOM 482 OG SER A 28 -6.286 6.580 17.686 1.00 0.00 O ATOM 0 H SER A 28 -8.707 5.356 21.084 1.00 0.00 H new ATOM 0 HA SER A 28 -8.575 5.503 18.228 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.497 7.697 18.924 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.261 6.759 19.739 1.00 0.00 H new ATOM 0 HG SER A 28 -5.651 7.317 17.570 1.00 0.00 H new ATOM 488 N THR A 29 -7.804 3.204 18.890 1.00 0.00 N ATOM 489 CA THR A 29 -7.250 1.886 19.135 1.00 0.00 C ATOM 490 C THR A 29 -7.087 1.104 17.833 1.00 0.00 C ATOM 491 O THR A 29 -7.845 1.301 16.877 1.00 0.00 O ATOM 492 CB THR A 29 -8.141 1.095 20.121 1.00 0.00 C ATOM 493 OG1 THR A 29 -7.527 -0.154 20.472 1.00 0.00 O ATOM 494 CG2 THR A 29 -9.516 0.838 19.522 1.00 0.00 C ATOM 0 H THR A 29 -8.627 3.212 18.288 1.00 0.00 H new ATOM 0 HA THR A 29 -6.264 2.019 19.580 1.00 0.00 H new ATOM 0 HB THR A 29 -8.256 1.699 21.021 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.105 -0.638 21.097 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.125 0.280 20.234 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.999 1.789 19.299 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.411 0.260 18.604 1.00 0.00 H new ATOM 502 N TRP A 30 -6.073 0.239 17.804 1.00 0.00 N ATOM 503 CA TRP A 30 -5.806 -0.630 16.664 1.00 0.00 C ATOM 504 C TRP A 30 -5.563 0.161 15.383 1.00 0.00 C ATOM 505 O TRP A 30 -6.272 0.000 14.391 1.00 0.00 O ATOM 506 CB TRP A 30 -6.946 -1.635 16.466 1.00 0.00 C ATOM 507 CG TRP A 30 -6.877 -2.796 17.408 1.00 0.00 C ATOM 508 CD1 TRP A 30 -7.381 -2.860 18.675 1.00 0.00 C ATOM 509 CD2 TRP A 30 -6.271 -4.067 17.153 1.00 0.00 C ATOM 510 NE1 TRP A 30 -7.118 -4.090 19.224 1.00 0.00 N ATOM 511 CE2 TRP A 30 -6.442 -4.850 18.308 1.00 0.00 C ATOM 512 CE3 TRP A 30 -5.602 -4.617 16.057 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -5.964 -6.155 18.399 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -5.129 -5.912 16.148 1.00 0.00 C ATOM 515 CH2 TRP A 30 -5.313 -6.669 17.312 1.00 0.00 C ATOM 0 H TRP A 30 -5.414 0.123 18.574 1.00 0.00 H new ATOM 0 HA TRP A 30 -4.890 -1.177 16.887 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -7.900 -1.124 16.598 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.922 -2.005 15.441 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -7.909 -2.060 19.172 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -7.383 -4.389 20.162 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.457 -4.041 15.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -6.103 -6.740 19.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -4.609 -6.348 15.308 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -4.933 -7.679 17.352 1.00 0.00 H new ATOM 526 N GLU A 31 -4.551 1.016 15.411 1.00 0.00 N ATOM 527 CA GLU A 31 -4.124 1.739 14.223 1.00 0.00 C ATOM 528 C GLU A 31 -2.890 1.056 13.645 1.00 0.00 C ATOM 529 O GLU A 31 -2.248 1.559 12.727 1.00 0.00 O ATOM 530 CB GLU A 31 -3.814 3.210 14.550 1.00 0.00 C ATOM 531 CG GLU A 31 -2.572 3.422 15.413 1.00 0.00 C ATOM 532 CD GLU A 31 -2.755 2.995 16.856 1.00 0.00 C ATOM 533 OE1 GLU A 31 -2.679 1.781 17.138 1.00 0.00 O ATOM 534 OE2 GLU A 31 -2.971 3.868 17.719 1.00 0.00 O ATOM 0 H GLU A 31 -4.008 1.226 16.248 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.932 1.727 13.491 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.689 3.757 13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.674 3.644 15.061 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.740 2.865 14.981 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.298 4.477 15.387 1.00 0.00 H new ATOM 541 N SER A 32 -2.600 -0.121 14.188 1.00 0.00 N ATOM 542 CA SER A 32 -1.391 -0.873 13.873 1.00 0.00 C ATOM 543 C SER A 32 -1.286 -1.221 12.384 1.00 0.00 C ATOM 544 O SER A 32 -0.194 -1.478 11.874 1.00 0.00 O ATOM 545 CB SER A 32 -1.374 -2.145 14.723 1.00 0.00 C ATOM 546 OG SER A 32 -1.697 -1.843 16.073 1.00 0.00 O ATOM 0 H SER A 32 -3.204 -0.585 14.866 1.00 0.00 H new ATOM 0 HA SER A 32 -0.528 -0.248 14.103 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.088 -2.866 14.324 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.389 -2.610 14.673 1.00 0.00 H new ATOM 0 HG SER A 32 -1.684 -2.666 16.605 1.00 0.00 H new ATOM 552 N TYR A 33 -2.413 -1.216 11.681 1.00 0.00 N ATOM 553 CA TYR A 33 -2.412 -1.533 10.257 1.00 0.00 C ATOM 554 C TYR A 33 -1.789 -0.406 9.443 1.00 0.00 C ATOM 555 O TYR A 33 -1.337 -0.622 8.322 1.00 0.00 O ATOM 556 CB TYR A 33 -3.830 -1.855 9.759 1.00 0.00 C ATOM 557 CG TYR A 33 -4.855 -0.755 9.954 1.00 0.00 C ATOM 558 CD1 TYR A 33 -5.024 0.248 9.005 1.00 0.00 C ATOM 559 CD2 TYR A 33 -5.671 -0.739 11.077 1.00 0.00 C ATOM 560 CE1 TYR A 33 -5.976 1.237 9.175 1.00 0.00 C ATOM 561 CE2 TYR A 33 -6.622 0.249 11.254 1.00 0.00 C ATOM 562 CZ TYR A 33 -6.771 1.233 10.302 1.00 0.00 C ATOM 563 OH TYR A 33 -7.721 2.214 10.474 1.00 0.00 O ATOM 0 H TYR A 33 -3.331 -0.998 12.069 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.799 -2.424 10.117 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.778 -2.095 8.697 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.182 -2.751 10.271 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.402 0.255 8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.561 -1.511 11.824 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.096 2.009 8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.246 0.249 12.136 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.565 2.937 9.831 1.00 0.00 H new ATOM 573 N GLU A 34 -1.737 0.785 10.021 1.00 0.00 N ATOM 574 CA GLU A 34 -1.117 1.928 9.365 1.00 0.00 C ATOM 575 C GLU A 34 0.398 1.730 9.352 1.00 0.00 C ATOM 576 O GLU A 34 1.087 2.115 8.404 1.00 0.00 O ATOM 577 CB GLU A 34 -1.507 3.217 10.107 1.00 0.00 C ATOM 578 CG GLU A 34 -1.300 4.506 9.317 1.00 0.00 C ATOM 579 CD GLU A 34 0.130 5.012 9.341 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.877 4.669 10.280 1.00 0.00 O ATOM 581 OE2 GLU A 34 0.511 5.768 8.424 1.00 0.00 O ATOM 0 H GLU A 34 -2.118 0.986 10.946 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.465 2.013 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.556 3.149 10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.928 3.277 11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.600 4.340 8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.956 5.278 9.719 1.00 0.00 H new ATOM 588 N THR A 35 0.894 1.073 10.397 1.00 0.00 N ATOM 589 CA THR A 35 2.317 0.808 10.547 1.00 0.00 C ATOM 590 C THR A 35 2.846 -0.099 9.433 1.00 0.00 C ATOM 591 O THR A 35 3.781 0.272 8.726 1.00 0.00 O ATOM 592 CB THR A 35 2.604 0.174 11.918 1.00 0.00 C ATOM 593 OG1 THR A 35 2.019 0.982 12.948 1.00 0.00 O ATOM 594 CG2 THR A 35 4.101 0.044 12.161 1.00 0.00 C ATOM 0 H THR A 35 0.321 0.712 11.160 1.00 0.00 H new ATOM 0 HA THR A 35 2.835 1.764 10.476 1.00 0.00 H new ATOM 0 HB THR A 35 2.168 -0.825 11.933 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.200 0.578 13.823 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.273 -0.407 13.138 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.542 -0.585 11.388 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.562 1.031 12.131 1.00 0.00 H new ATOM 602 N VAL A 36 2.245 -1.283 9.267 1.00 0.00 N ATOM 603 CA VAL A 36 2.686 -2.215 8.224 1.00 0.00 C ATOM 604 C VAL A 36 2.606 -1.563 6.849 1.00 0.00 C ATOM 605 O VAL A 36 3.479 -1.774 6.000 1.00 0.00 O ATOM 606 CB VAL A 36 1.874 -3.535 8.207 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.250 -4.413 9.387 1.00 0.00 C ATOM 608 CG2 VAL A 36 0.378 -3.259 8.210 1.00 0.00 C ATOM 0 H VAL A 36 1.464 -1.615 9.832 1.00 0.00 H new ATOM 0 HA VAL A 36 3.720 -2.464 8.462 1.00 0.00 H new ATOM 0 HB VAL A 36 2.121 -4.065 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.668 -5.334 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.312 -4.653 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.040 -3.883 10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.166 -4.203 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.113 -2.699 9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.114 -2.677 7.327 1.00 0.00 H new ATOM 618 N LEU A 37 1.573 -0.757 6.651 1.00 0.00 N ATOM 619 CA LEU A 37 1.382 -0.041 5.403 1.00 0.00 C ATOM 620 C LEU A 37 2.568 0.868 5.109 1.00 0.00 C ATOM 621 O LEU A 37 3.328 0.614 4.173 1.00 0.00 O ATOM 622 CB LEU A 37 0.088 0.770 5.455 1.00 0.00 C ATOM 623 CG LEU A 37 -1.195 -0.052 5.347 1.00 0.00 C ATOM 624 CD1 LEU A 37 -2.412 0.822 5.595 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.282 -0.717 3.984 1.00 0.00 C ATOM 0 H LEU A 37 0.849 -0.583 7.348 1.00 0.00 H new ATOM 0 HA LEU A 37 1.309 -0.771 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.065 1.330 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.102 1.501 4.646 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.173 -0.830 6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.316 0.218 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.352 1.254 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.442 1.622 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.201 -1.299 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.282 0.046 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.425 -1.376 3.845 1.00 0.00 H new ATOM 637 N ARG A 38 2.752 1.898 5.930 1.00 0.00 N ATOM 638 CA ARG A 38 3.810 2.875 5.693 1.00 0.00 C ATOM 639 C ARG A 38 5.187 2.222 5.688 1.00 0.00 C ATOM 640 O ARG A 38 6.070 2.633 4.937 1.00 0.00 O ATOM 641 CB ARG A 38 3.771 4.006 6.728 1.00 0.00 C ATOM 642 CG ARG A 38 4.020 3.571 8.166 1.00 0.00 C ATOM 643 CD ARG A 38 4.218 4.778 9.073 1.00 0.00 C ATOM 644 NE ARG A 38 3.181 5.781 8.857 1.00 0.00 N ATOM 645 CZ ARG A 38 3.412 7.037 8.488 1.00 0.00 C ATOM 646 NH1 ARG A 38 4.654 7.502 8.410 1.00 0.00 N ATOM 647 NH2 ARG A 38 2.389 7.831 8.211 1.00 0.00 N ATOM 0 H ARG A 38 2.187 2.077 6.760 1.00 0.00 H new ATOM 0 HA ARG A 38 3.629 3.301 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.517 4.753 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.797 4.493 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.177 2.978 8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.901 2.931 8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.206 4.458 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.197 5.219 8.886 1.00 0.00 H new ATOM 0 HE ARG A 38 2.211 5.499 8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.441 6.894 8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.820 8.467 8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.435 7.477 8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.555 8.796 7.927 1.00 0.00 H new ATOM 661 N LEU A 39 5.352 1.197 6.510 1.00 0.00 N ATOM 662 CA LEU A 39 6.628 0.509 6.634 1.00 0.00 C ATOM 663 C LEU A 39 7.024 -0.166 5.324 1.00 0.00 C ATOM 664 O LEU A 39 8.202 -0.234 4.983 1.00 0.00 O ATOM 665 CB LEU A 39 6.550 -0.538 7.747 1.00 0.00 C ATOM 666 CG LEU A 39 7.851 -1.286 8.038 1.00 0.00 C ATOM 667 CD1 LEU A 39 8.902 -0.332 8.585 1.00 0.00 C ATOM 668 CD2 LEU A 39 7.606 -2.428 9.012 1.00 0.00 C ATOM 0 H LEU A 39 4.613 0.821 7.105 1.00 0.00 H new ATOM 0 HA LEU A 39 7.387 1.252 6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.221 -0.046 8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.783 -1.267 7.484 1.00 0.00 H new ATOM 0 HG LEU A 39 8.222 -1.708 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.822 -0.881 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.100 0.450 7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.539 0.119 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.544 -2.948 9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.211 -2.030 9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.887 -3.125 8.582 1.00 0.00 H new ATOM 680 N HIS A 40 6.040 -0.667 4.588 1.00 0.00 N ATOM 681 CA HIS A 40 6.333 -1.424 3.376 1.00 0.00 C ATOM 682 C HIS A 40 6.170 -0.597 2.104 1.00 0.00 C ATOM 683 O HIS A 40 7.033 -0.637 1.233 1.00 0.00 O ATOM 684 CB HIS A 40 5.465 -2.682 3.302 1.00 0.00 C ATOM 685 CG HIS A 40 5.825 -3.707 4.333 1.00 0.00 C ATOM 686 ND1 HIS A 40 5.367 -3.657 5.629 1.00 0.00 N ATOM 687 CD2 HIS A 40 6.617 -4.804 4.258 1.00 0.00 C ATOM 688 CE1 HIS A 40 5.862 -4.673 6.311 1.00 0.00 C ATOM 689 NE2 HIS A 40 6.619 -5.386 5.501 1.00 0.00 N ATOM 0 H HIS A 40 5.048 -0.566 4.803 1.00 0.00 H new ATOM 0 HA HIS A 40 7.383 -1.711 3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.419 -2.402 3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.561 -3.124 2.310 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.741 -2.945 6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.147 -5.154 3.385 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.678 -4.884 7.354 1.00 0.00 H new ATOM 698 N VAL A 41 5.085 0.161 1.996 1.00 0.00 N ATOM 699 CA VAL A 41 4.759 0.820 0.730 1.00 0.00 C ATOM 700 C VAL A 41 5.554 2.111 0.514 1.00 0.00 C ATOM 701 O VAL A 41 5.993 2.384 -0.599 1.00 0.00 O ATOM 702 CB VAL A 41 3.239 1.102 0.601 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.767 2.127 1.618 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.893 1.550 -0.810 1.00 0.00 C ATOM 0 H VAL A 41 4.424 0.335 2.753 1.00 0.00 H new ATOM 0 HA VAL A 41 5.050 0.118 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 41 2.716 0.169 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.697 2.296 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.962 1.757 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.303 3.064 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.822 1.742 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.441 2.462 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.167 0.768 -1.518 1.00 0.00 H new ATOM 714 N ILE A 42 5.781 2.883 1.572 1.00 0.00 N ATOM 715 CA ILE A 42 6.412 4.197 1.426 1.00 0.00 C ATOM 716 C ILE A 42 7.875 4.113 0.955 1.00 0.00 C ATOM 717 O ILE A 42 8.249 4.802 0.007 1.00 0.00 O ATOM 718 CB ILE A 42 6.320 5.029 2.727 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.857 5.372 3.026 1.00 0.00 C ATOM 720 CG2 ILE A 42 7.153 6.302 2.617 1.00 0.00 C ATOM 721 CD1 ILE A 42 4.667 6.254 4.243 1.00 0.00 C ATOM 0 H ILE A 42 5.542 2.629 2.530 1.00 0.00 H new ATOM 0 HA ILE A 42 5.846 4.706 0.646 1.00 0.00 H new ATOM 0 HB ILE A 42 6.719 4.434 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.427 5.871 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.300 4.446 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.073 6.871 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.196 6.040 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.786 6.906 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.605 6.451 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.065 5.750 5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.194 7.197 4.095 1.00 0.00 H new ATOM 733 N PRO A 43 8.735 3.295 1.591 1.00 0.00 N ATOM 734 CA PRO A 43 10.153 3.216 1.212 1.00 0.00 C ATOM 735 C PRO A 43 10.386 2.697 -0.211 1.00 0.00 C ATOM 736 O PRO A 43 11.351 3.087 -0.867 1.00 0.00 O ATOM 737 CB PRO A 43 10.752 2.241 2.234 1.00 0.00 C ATOM 738 CG PRO A 43 9.778 2.207 3.357 1.00 0.00 C ATOM 739 CD PRO A 43 8.432 2.416 2.733 1.00 0.00 C ATOM 0 HA PRO A 43 10.607 4.207 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.888 1.250 1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.732 2.578 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.821 1.254 3.884 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.996 2.986 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.985 1.475 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.732 2.881 3.427 1.00 0.00 H new ATOM 747 N THR A 44 9.503 1.832 -0.698 1.00 0.00 N ATOM 748 CA THR A 44 9.745 1.160 -1.970 1.00 0.00 C ATOM 749 C THR A 44 8.848 1.693 -3.099 1.00 0.00 C ATOM 750 O THR A 44 9.185 1.557 -4.281 1.00 0.00 O ATOM 751 CB THR A 44 9.563 -0.369 -1.819 1.00 0.00 C ATOM 752 OG1 THR A 44 10.109 -1.059 -2.951 1.00 0.00 O ATOM 753 CG2 THR A 44 8.097 -0.744 -1.658 1.00 0.00 C ATOM 0 H THR A 44 8.626 1.582 -0.240 1.00 0.00 H new ATOM 0 HA THR A 44 10.776 1.375 -2.250 1.00 0.00 H new ATOM 0 HB THR A 44 10.099 -0.669 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.518 -1.801 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.007 -1.825 -1.555 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.693 -0.260 -0.769 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.539 -0.416 -2.535 1.00 0.00 H new ATOM 761 N LEU A 45 7.716 2.287 -2.737 1.00 0.00 N ATOM 762 CA LEU A 45 6.759 2.805 -3.720 1.00 0.00 C ATOM 763 C LEU A 45 6.411 4.264 -3.432 1.00 0.00 C ATOM 764 O LEU A 45 5.375 4.762 -3.868 1.00 0.00 O ATOM 765 CB LEU A 45 5.473 1.962 -3.712 1.00 0.00 C ATOM 766 CG LEU A 45 5.338 0.921 -4.832 1.00 0.00 C ATOM 767 CD1 LEU A 45 6.401 -0.157 -4.717 1.00 0.00 C ATOM 768 CD2 LEU A 45 3.950 0.296 -4.806 1.00 0.00 C ATOM 0 H LEU A 45 7.434 2.424 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 45 7.227 2.744 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.408 1.445 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.620 2.638 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 45 5.481 1.433 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.277 -0.878 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.389 0.298 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.301 -0.666 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.868 -0.440 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.789 -0.192 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.199 1.073 -4.949 1.00 0.00 H new ATOM 780 N GLY A 46 7.302 4.959 -2.733 1.00 0.00 N ATOM 781 CA GLY A 46 7.041 6.338 -2.349 1.00 0.00 C ATOM 782 C GLY A 46 7.234 7.314 -3.493 1.00 0.00 C ATOM 783 O GLY A 46 7.114 8.526 -3.317 1.00 0.00 O ATOM 0 H GLY A 46 8.203 4.593 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.020 6.419 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.703 6.613 -1.528 1.00 0.00 H new ATOM 787 N SER A 47 7.535 6.782 -4.663 1.00 0.00 N ATOM 788 CA SER A 47 7.718 7.590 -5.854 1.00 0.00 C ATOM 789 C SER A 47 6.509 7.423 -6.776 1.00 0.00 C ATOM 790 O SER A 47 6.495 7.903 -7.912 1.00 0.00 O ATOM 791 CB SER A 47 9.017 7.168 -6.560 1.00 0.00 C ATOM 792 OG SER A 47 9.307 7.984 -7.685 1.00 0.00 O ATOM 0 H SER A 47 7.659 5.781 -4.814 1.00 0.00 H new ATOM 0 HA SER A 47 7.798 8.643 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.845 7.219 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.934 6.129 -6.879 1.00 0.00 H new ATOM 0 HG SER A 47 9.156 8.924 -7.455 1.00 0.00 H new ATOM 798 N ILE A 48 5.481 6.751 -6.272 1.00 0.00 N ATOM 799 CA ILE A 48 4.300 6.461 -7.065 1.00 0.00 C ATOM 800 C ILE A 48 3.060 7.124 -6.466 1.00 0.00 C ATOM 801 O ILE A 48 2.655 6.811 -5.346 1.00 0.00 O ATOM 802 CB ILE A 48 4.075 4.937 -7.184 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.300 4.270 -7.823 1.00 0.00 C ATOM 804 CG2 ILE A 48 2.818 4.637 -7.989 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.173 2.770 -7.963 1.00 0.00 C ATOM 0 H ILE A 48 5.445 6.398 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 48 4.466 6.869 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 48 3.938 4.528 -6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.466 4.705 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.181 4.496 -7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.680 3.558 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.954 5.082 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.918 5.056 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.077 2.370 -8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.038 2.323 -6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.313 2.535 -8.590 1.00 0.00 H new ATOM 817 N PRO A 49 2.463 8.074 -7.202 1.00 0.00 N ATOM 818 CA PRO A 49 1.216 8.730 -6.798 1.00 0.00 C ATOM 819 C PRO A 49 0.059 7.742 -6.713 1.00 0.00 C ATOM 820 O PRO A 49 0.061 6.718 -7.399 1.00 0.00 O ATOM 821 CB PRO A 49 0.953 9.752 -7.910 1.00 0.00 C ATOM 822 CG PRO A 49 2.250 9.900 -8.631 1.00 0.00 C ATOM 823 CD PRO A 49 2.970 8.590 -8.478 1.00 0.00 C ATOM 0 HA PRO A 49 1.300 9.179 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.168 9.407 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.623 10.705 -7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.086 10.133 -9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.837 10.717 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.750 7.911 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.051 8.725 -8.456 1.00 0.00 H new ATOM 831 N LEU A 50 -0.936 8.067 -5.893 1.00 0.00 N ATOM 832 CA LEU A 50 -2.072 7.176 -5.661 1.00 0.00 C ATOM 833 C LEU A 50 -2.788 6.824 -6.960 1.00 0.00 C ATOM 834 O LEU A 50 -3.217 5.688 -7.150 1.00 0.00 O ATOM 835 CB LEU A 50 -3.065 7.813 -4.681 1.00 0.00 C ATOM 836 CG LEU A 50 -2.531 8.046 -3.266 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.610 8.666 -2.395 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.032 6.742 -2.657 1.00 0.00 C ATOM 0 H LEU A 50 -0.980 8.945 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.678 6.256 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.391 8.769 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.947 7.176 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.689 8.736 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.219 8.827 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.918 9.620 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.468 7.996 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.657 6.930 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.852 6.025 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.230 6.336 -3.273 1.00 0.00 H new ATOM 850 N LYS A 51 -2.887 7.786 -7.868 1.00 0.00 N ATOM 851 CA LYS A 51 -3.635 7.578 -9.103 1.00 0.00 C ATOM 852 C LYS A 51 -2.749 6.990 -10.196 1.00 0.00 C ATOM 853 O LYS A 51 -3.187 6.792 -11.330 1.00 0.00 O ATOM 854 CB LYS A 51 -4.285 8.887 -9.564 1.00 0.00 C ATOM 855 CG LYS A 51 -5.248 9.451 -8.534 1.00 0.00 C ATOM 856 CD LYS A 51 -6.178 10.498 -9.122 1.00 0.00 C ATOM 857 CE LYS A 51 -7.183 10.969 -8.082 1.00 0.00 C ATOM 858 NZ LYS A 51 -8.195 11.891 -8.658 1.00 0.00 N ATOM 0 H LYS A 51 -2.464 8.709 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.426 6.856 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.507 9.622 -9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.818 8.715 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.840 8.639 -8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.681 9.892 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.597 11.346 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.704 10.083 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.686 10.105 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.656 11.471 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.859 12.186 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.719 12.729 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.717 11.405 -9.415 1.00 0.00 H new ATOM 872 N LYS A 52 -1.505 6.702 -9.843 1.00 0.00 N ATOM 873 CA LYS A 52 -0.590 6.013 -10.740 1.00 0.00 C ATOM 874 C LYS A 52 -0.428 4.565 -10.284 1.00 0.00 C ATOM 875 O LYS A 52 0.034 3.710 -11.038 1.00 0.00 O ATOM 876 CB LYS A 52 0.776 6.717 -10.770 1.00 0.00 C ATOM 877 CG LYS A 52 1.858 5.919 -11.482 1.00 0.00 C ATOM 878 CD LYS A 52 3.206 6.616 -11.453 1.00 0.00 C ATOM 879 CE LYS A 52 4.329 5.650 -11.801 1.00 0.00 C ATOM 880 NZ LYS A 52 4.073 4.917 -13.071 1.00 0.00 N ATOM 0 H LYS A 52 -1.104 6.937 -8.935 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.002 6.032 -11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.666 7.684 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.096 6.914 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.949 4.938 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.561 5.752 -12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.205 7.447 -12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.379 7.039 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.266 6.201 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.453 4.933 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.946 4.444 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.329 4.206 -12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.765 5.588 -13.803 1.00 0.00 H new ATOM 894 N LEU A 53 -0.839 4.307 -9.052 1.00 0.00 N ATOM 895 CA LEU A 53 -0.652 3.010 -8.418 1.00 0.00 C ATOM 896 C LEU A 53 -1.427 1.922 -9.166 1.00 0.00 C ATOM 897 O LEU A 53 -2.653 1.842 -9.083 1.00 0.00 O ATOM 898 CB LEU A 53 -1.088 3.105 -6.946 1.00 0.00 C ATOM 899 CG LEU A 53 -0.668 1.953 -6.020 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.530 0.727 -6.243 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.803 1.617 -6.219 1.00 0.00 C ATOM 0 H LEU A 53 -1.312 4.992 -8.462 1.00 0.00 H new ATOM 0 HA LEU A 53 0.401 2.732 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.691 4.033 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.175 3.183 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.813 2.281 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.208 -0.071 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.572 0.973 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.430 0.395 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.082 0.799 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.971 1.318 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.410 2.493 -5.991 1.00 0.00 H new ATOM 913 N GLN A 54 -0.695 1.102 -9.910 1.00 0.00 N ATOM 914 CA GLN A 54 -1.283 0.003 -10.661 1.00 0.00 C ATOM 915 C GLN A 54 -0.975 -1.327 -9.973 1.00 0.00 C ATOM 916 O GLN A 54 -0.058 -1.409 -9.157 1.00 0.00 O ATOM 917 CB GLN A 54 -0.725 -0.014 -12.090 1.00 0.00 C ATOM 918 CG GLN A 54 -0.946 1.279 -12.860 1.00 0.00 C ATOM 919 CD GLN A 54 -2.410 1.555 -13.142 1.00 0.00 C ATOM 920 OE1 GLN A 54 -3.098 2.207 -12.358 1.00 0.00 O ATOM 921 NE2 GLN A 54 -2.892 1.069 -14.273 1.00 0.00 N ATOM 0 H GLN A 54 0.317 1.180 -10.009 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.363 0.143 -10.700 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.344 -0.221 -12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.187 -0.834 -12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.528 2.110 -12.292 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.402 1.232 -13.803 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.288 0.533 -14.896 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.868 1.230 -14.522 1.00 0.00 H new ATOM 930 N PRO A 55 -1.741 -2.390 -10.283 1.00 0.00 N ATOM 931 CA PRO A 55 -1.471 -3.740 -9.769 1.00 0.00 C ATOM 932 C PRO A 55 -0.047 -4.204 -10.084 1.00 0.00 C ATOM 933 O PRO A 55 0.547 -4.979 -9.334 1.00 0.00 O ATOM 934 CB PRO A 55 -2.485 -4.618 -10.507 1.00 0.00 C ATOM 935 CG PRO A 55 -3.586 -3.690 -10.884 1.00 0.00 C ATOM 936 CD PRO A 55 -2.941 -2.356 -11.134 1.00 0.00 C ATOM 0 HA PRO A 55 -1.559 -3.784 -8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.040 -5.082 -11.387 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.848 -5.425 -9.870 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.106 -4.044 -11.774 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.327 -3.621 -10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.684 -2.225 -12.185 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.602 -1.533 -10.863 1.00 0.00 H new ATOM 944 N ALA A 56 0.494 -3.715 -11.197 1.00 0.00 N ATOM 945 CA ALA A 56 1.861 -4.036 -11.597 1.00 0.00 C ATOM 946 C ALA A 56 2.874 -3.424 -10.631 1.00 0.00 C ATOM 947 O ALA A 56 3.966 -3.955 -10.431 1.00 0.00 O ATOM 948 CB ALA A 56 2.124 -3.546 -13.011 1.00 0.00 C ATOM 0 H ALA A 56 0.004 -3.093 -11.840 1.00 0.00 H new ATOM 0 HA ALA A 56 1.976 -5.120 -11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.147 -3.792 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.429 -4.029 -13.698 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.985 -2.466 -13.053 1.00 0.00 H new ATOM 954 N ASP A 57 2.498 -2.311 -10.023 1.00 0.00 N ATOM 955 CA ASP A 57 3.365 -1.631 -9.074 1.00 0.00 C ATOM 956 C ASP A 57 3.310 -2.327 -7.723 1.00 0.00 C ATOM 957 O ASP A 57 4.287 -2.343 -6.974 1.00 0.00 O ATOM 958 CB ASP A 57 2.952 -0.167 -8.932 1.00 0.00 C ATOM 959 CG ASP A 57 3.108 0.606 -10.227 1.00 0.00 C ATOM 960 OD1 ASP A 57 4.257 0.783 -10.688 1.00 0.00 O ATOM 961 OD2 ASP A 57 2.082 1.020 -10.801 1.00 0.00 O ATOM 0 H ASP A 57 1.596 -1.858 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 57 4.389 -1.668 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.914 -0.115 -8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.555 0.304 -8.156 1.00 0.00 H new ATOM 966 N ILE A 58 2.162 -2.919 -7.425 1.00 0.00 N ATOM 967 CA ILE A 58 1.980 -3.642 -6.176 1.00 0.00 C ATOM 968 C ILE A 58 2.711 -4.980 -6.211 1.00 0.00 C ATOM 969 O ILE A 58 3.302 -5.400 -5.216 1.00 0.00 O ATOM 970 CB ILE A 58 0.492 -3.873 -5.863 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.244 -2.536 -5.789 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.338 -4.625 -4.551 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.718 -2.676 -5.479 1.00 0.00 C ATOM 0 H ILE A 58 1.342 -2.912 -8.032 1.00 0.00 H new ATOM 0 HA ILE A 58 2.404 -3.023 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 58 0.058 -4.472 -6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.223 -1.915 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.128 -2.013 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.721 -4.781 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.840 -5.590 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.784 -4.044 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.177 -1.688 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.198 -3.270 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.842 -3.170 -4.516 1.00 0.00 H new ATOM 985 N GLN A 59 2.684 -5.649 -7.360 1.00 0.00 N ATOM 986 CA GLN A 59 3.426 -6.895 -7.507 1.00 0.00 C ATOM 987 C GLN A 59 4.924 -6.619 -7.446 1.00 0.00 C ATOM 988 O GLN A 59 5.689 -7.443 -6.959 1.00 0.00 O ATOM 989 CB GLN A 59 3.061 -7.631 -8.801 1.00 0.00 C ATOM 990 CG GLN A 59 3.369 -6.856 -10.070 1.00 0.00 C ATOM 991 CD GLN A 59 3.095 -7.649 -11.334 1.00 0.00 C ATOM 992 OE1 GLN A 59 3.979 -8.324 -11.863 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.870 -7.565 -11.825 1.00 0.00 N ATOM 0 H GLN A 59 2.166 -5.356 -8.188 1.00 0.00 H new ATOM 0 HA GLN A 59 3.149 -7.549 -6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.598 -8.579 -8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.997 -7.867 -8.783 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.773 -5.943 -10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.416 -6.553 -10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.169 -6.993 -11.353 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.626 -8.072 -12.676 1.00 0.00 H new ATOM 1002 N ARG A 60 5.324 -5.446 -7.932 1.00 0.00 N ATOM 1003 CA ARG A 60 6.699 -4.975 -7.785 1.00 0.00 C ATOM 1004 C ARG A 60 7.079 -4.904 -6.309 1.00 0.00 C ATOM 1005 O ARG A 60 8.175 -5.304 -5.917 1.00 0.00 O ATOM 1006 CB ARG A 60 6.842 -3.595 -8.432 1.00 0.00 C ATOM 1007 CG ARG A 60 7.939 -2.734 -7.827 1.00 0.00 C ATOM 1008 CD ARG A 60 7.904 -1.316 -8.376 1.00 0.00 C ATOM 1009 NE ARG A 60 8.688 -0.391 -7.557 1.00 0.00 N ATOM 1010 CZ ARG A 60 9.457 0.581 -8.050 1.00 0.00 C ATOM 1011 NH1 ARG A 60 9.540 0.766 -9.359 1.00 0.00 N ATOM 1012 NH2 ARG A 60 10.125 1.383 -7.231 1.00 0.00 N ATOM 0 H ARG A 60 4.712 -4.802 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 60 7.370 -5.676 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.042 -3.724 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.893 -3.066 -8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.826 -2.708 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.911 -3.182 -8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.289 -1.313 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.871 -0.971 -8.424 1.00 0.00 H new ATOM 0 HE ARG A 60 8.644 -0.496 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.015 0.164 -9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.129 1.510 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.051 1.257 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.712 2.125 -7.611 1.00 0.00 H new ATOM 1026 N LEU A 61 6.149 -4.401 -5.504 1.00 0.00 N ATOM 1027 CA LEU A 61 6.347 -4.290 -4.063 1.00 0.00 C ATOM 1028 C LEU A 61 6.603 -5.676 -3.492 1.00 0.00 C ATOM 1029 O LEU A 61 7.641 -5.932 -2.880 1.00 0.00 O ATOM 1030 CB LEU A 61 5.095 -3.662 -3.416 1.00 0.00 C ATOM 1031 CG LEU A 61 5.219 -3.169 -1.964 1.00 0.00 C ATOM 1032 CD1 LEU A 61 3.942 -2.452 -1.568 1.00 0.00 C ATOM 1033 CD2 LEU A 61 5.476 -4.310 -0.990 1.00 0.00 C ATOM 0 H LEU A 61 5.244 -4.061 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 61 7.204 -3.651 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.785 -2.818 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.291 -4.397 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 61 6.072 -2.492 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.026 -2.101 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.782 -1.601 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.099 -3.138 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.556 -3.913 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.651 -5.021 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.405 -4.814 -1.257 1.00 0.00 H new ATOM 1045 N TYR A 62 5.642 -6.560 -3.716 1.00 0.00 N ATOM 1046 CA TYR A 62 5.715 -7.926 -3.218 1.00 0.00 C ATOM 1047 C TYR A 62 6.959 -8.644 -3.722 1.00 0.00 C ATOM 1048 O TYR A 62 7.685 -9.237 -2.935 1.00 0.00 O ATOM 1049 CB TYR A 62 4.468 -8.713 -3.621 1.00 0.00 C ATOM 1050 CG TYR A 62 3.180 -8.122 -3.095 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.150 -7.427 -1.891 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.993 -8.263 -3.799 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.976 -6.888 -1.408 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.816 -7.728 -3.322 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.813 -7.042 -2.126 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.360 -6.505 -1.653 1.00 0.00 O ATOM 0 H TYR A 62 4.795 -6.353 -4.245 1.00 0.00 H new ATOM 0 HA TYR A 62 5.771 -7.870 -2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.417 -8.763 -4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.562 -9.737 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.062 -7.307 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.991 -8.801 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.970 -6.349 -0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.100 -7.846 -3.882 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.026 -6.489 -2.372 1.00 0.00 H new ATOM 1066 N ALA A 63 7.213 -8.571 -5.026 1.00 0.00 N ATOM 1067 CA ALA A 63 8.335 -9.289 -5.627 1.00 0.00 C ATOM 1068 C ALA A 63 9.667 -8.818 -5.060 1.00 0.00 C ATOM 1069 O ALA A 63 10.513 -9.631 -4.676 1.00 0.00 O ATOM 1070 CB ALA A 63 8.322 -9.129 -7.141 1.00 0.00 C ATOM 0 H ALA A 63 6.659 -8.024 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 63 8.220 -10.345 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.165 -9.670 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.391 -9.530 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.401 -8.072 -7.396 1.00 0.00 H new ATOM 1076 N SER A 64 9.839 -7.504 -4.993 1.00 0.00 N ATOM 1077 CA SER A 64 11.075 -6.914 -4.500 1.00 0.00 C ATOM 1078 C SER A 64 11.331 -7.314 -3.046 1.00 0.00 C ATOM 1079 O SER A 64 12.474 -7.531 -2.643 1.00 0.00 O ATOM 1080 CB SER A 64 11.010 -5.387 -4.630 1.00 0.00 C ATOM 1081 OG SER A 64 12.255 -4.777 -4.326 1.00 0.00 O ATOM 0 H SER A 64 9.133 -6.824 -5.276 1.00 0.00 H new ATOM 0 HA SER A 64 11.902 -7.289 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.714 -5.121 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.242 -4.998 -3.961 1.00 0.00 H new ATOM 0 HG SER A 64 12.175 -3.805 -4.421 1.00 0.00 H new ATOM 1087 N LYS A 65 10.264 -7.427 -2.265 1.00 0.00 N ATOM 1088 CA LYS A 65 10.390 -7.742 -0.846 1.00 0.00 C ATOM 1089 C LYS A 65 10.409 -9.250 -0.601 1.00 0.00 C ATOM 1090 O LYS A 65 11.028 -9.724 0.353 1.00 0.00 O ATOM 1091 CB LYS A 65 9.262 -7.074 -0.057 1.00 0.00 C ATOM 1092 CG LYS A 65 9.619 -5.680 0.450 1.00 0.00 C ATOM 1093 CD LYS A 65 10.163 -4.796 -0.662 1.00 0.00 C ATOM 1094 CE LYS A 65 10.771 -3.514 -0.117 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.564 -2.792 -1.152 1.00 0.00 N ATOM 0 H LYS A 65 9.304 -7.306 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 65 11.345 -7.348 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.377 -7.007 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.000 -7.705 0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.735 -5.214 0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.360 -5.761 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.917 -5.345 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.360 -4.551 -1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.978 -2.864 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.412 -3.749 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.976 -1.932 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.326 -3.409 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.944 -2.530 -1.945 1.00 0.00 H new ATOM 1109 N LEU A 66 9.743 -10.000 -1.466 1.00 0.00 N ATOM 1110 CA LEU A 66 9.770 -11.457 -1.402 1.00 0.00 C ATOM 1111 C LEU A 66 11.197 -11.947 -1.598 1.00 0.00 C ATOM 1112 O LEU A 66 11.666 -12.839 -0.889 1.00 0.00 O ATOM 1113 CB LEU A 66 8.861 -12.051 -2.483 1.00 0.00 C ATOM 1114 CG LEU A 66 8.711 -13.574 -2.463 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.931 -14.026 -1.239 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.031 -14.053 -3.736 1.00 0.00 C ATOM 0 H LEU A 66 9.174 -9.623 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 66 9.407 -11.778 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.871 -11.606 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.247 -11.755 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 66 9.706 -14.016 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.838 -15.112 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.457 -13.714 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.938 -13.577 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.931 -15.138 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.043 -13.599 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.631 -13.766 -4.599 1.00 0.00 H new ATOM 1128 N GLU A 67 11.888 -11.324 -2.548 1.00 0.00 N ATOM 1129 CA GLU A 67 13.283 -11.639 -2.833 1.00 0.00 C ATOM 1130 C GLU A 67 14.167 -11.347 -1.619 1.00 0.00 C ATOM 1131 O GLU A 67 15.200 -11.990 -1.416 1.00 0.00 O ATOM 1132 CB GLU A 67 13.759 -10.821 -4.036 1.00 0.00 C ATOM 1133 CG GLU A 67 15.220 -11.038 -4.393 1.00 0.00 C ATOM 1134 CD GLU A 67 15.721 -10.037 -5.411 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.457 -8.830 -5.238 1.00 0.00 O ATOM 1136 OE2 GLU A 67 16.421 -10.442 -6.367 1.00 0.00 O ATOM 0 H GLU A 67 11.498 -10.590 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 67 13.360 -12.702 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.144 -11.073 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.600 -9.763 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.826 -10.967 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.349 -12.047 -4.786 1.00 0.00 H new ATOM 1143 N SER A 68 13.749 -10.385 -0.804 1.00 0.00 N ATOM 1144 CA SER A 68 14.507 -9.998 0.380 1.00 0.00 C ATOM 1145 C SER A 68 14.410 -11.061 1.475 1.00 0.00 C ATOM 1146 O SER A 68 15.163 -11.029 2.452 1.00 0.00 O ATOM 1147 CB SER A 68 14.015 -8.650 0.905 1.00 0.00 C ATOM 1148 OG SER A 68 14.095 -7.653 -0.102 1.00 0.00 O ATOM 0 H SER A 68 12.887 -9.858 -0.942 1.00 0.00 H new ATOM 0 HA SER A 68 15.555 -9.907 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.985 -8.743 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.612 -8.351 1.766 1.00 0.00 H new ATOM 0 HG SER A 68 13.447 -7.850 -0.810 1.00 0.00 H new ATOM 1154 N GLY A 69 13.483 -12.000 1.314 1.00 0.00 N ATOM 1155 CA GLY A 69 13.373 -13.094 2.260 1.00 0.00 C ATOM 1156 C GLY A 69 12.046 -13.126 2.993 1.00 0.00 C ATOM 1157 O GLY A 69 11.905 -13.838 3.989 1.00 0.00 O ATOM 0 H GLY A 69 12.809 -12.023 0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.510 -14.037 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.180 -13.017 2.988 1.00 0.00 H new ATOM 1161 N LEU A 70 11.070 -12.365 2.515 1.00 0.00 N ATOM 1162 CA LEU A 70 9.749 -12.371 3.132 1.00 0.00 C ATOM 1163 C LEU A 70 9.008 -13.655 2.793 1.00 0.00 C ATOM 1164 O LEU A 70 9.130 -14.178 1.687 1.00 0.00 O ATOM 1165 CB LEU A 70 8.916 -11.165 2.690 1.00 0.00 C ATOM 1166 CG LEU A 70 9.343 -9.818 3.277 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.410 -8.718 2.800 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.357 -9.874 4.798 1.00 0.00 C ATOM 0 H LEU A 70 11.165 -11.743 1.712 1.00 0.00 H new ATOM 0 HA LEU A 70 9.894 -12.310 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.956 -11.097 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.876 -11.346 2.960 1.00 0.00 H new ATOM 0 HG LEU A 70 10.353 -9.597 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.724 -7.765 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.443 -8.659 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.392 -8.940 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.663 -8.906 5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.359 -10.116 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.059 -10.640 5.127 1.00 0.00 H new ATOM 1180 N SER A 71 8.257 -14.166 3.751 1.00 0.00 N ATOM 1181 CA SER A 71 7.473 -15.367 3.540 1.00 0.00 C ATOM 1182 C SER A 71 6.146 -15.003 2.873 1.00 0.00 C ATOM 1183 O SER A 71 5.632 -13.899 3.079 1.00 0.00 O ATOM 1184 CB SER A 71 7.229 -16.067 4.884 1.00 0.00 C ATOM 1185 OG SER A 71 6.797 -17.406 4.703 1.00 0.00 O ATOM 0 H SER A 71 8.174 -13.766 4.686 1.00 0.00 H new ATOM 0 HA SER A 71 8.016 -16.049 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.146 -16.056 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.479 -15.516 5.452 1.00 0.00 H new ATOM 0 HG SER A 71 6.652 -17.824 5.577 1.00 0.00 H new ATOM 1191 N PRO A 72 5.584 -15.908 2.046 1.00 0.00 N ATOM 1192 CA PRO A 72 4.299 -15.682 1.368 1.00 0.00 C ATOM 1193 C PRO A 72 3.187 -15.270 2.331 1.00 0.00 C ATOM 1194 O PRO A 72 2.277 -14.527 1.962 1.00 0.00 O ATOM 1195 CB PRO A 72 3.983 -17.039 0.738 1.00 0.00 C ATOM 1196 CG PRO A 72 5.309 -17.688 0.553 1.00 0.00 C ATOM 1197 CD PRO A 72 6.168 -17.215 1.691 1.00 0.00 C ATOM 0 HA PRO A 72 4.363 -14.865 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.337 -17.634 1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.463 -16.923 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.216 -18.774 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.747 -17.413 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.138 -17.909 2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.212 -17.120 1.393 1.00 0.00 H new ATOM 1205 N THR A 73 3.275 -15.748 3.564 1.00 0.00 N ATOM 1206 CA THR A 73 2.306 -15.414 4.595 1.00 0.00 C ATOM 1207 C THR A 73 2.458 -13.960 5.038 1.00 0.00 C ATOM 1208 O THR A 73 1.471 -13.236 5.176 1.00 0.00 O ATOM 1209 CB THR A 73 2.468 -16.341 5.809 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.860 -16.497 6.112 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.844 -17.700 5.538 1.00 0.00 C ATOM 0 H THR A 73 4.017 -16.375 3.876 1.00 0.00 H new ATOM 0 HA THR A 73 1.311 -15.549 4.171 1.00 0.00 H new ATOM 0 HB THR A 73 1.956 -15.892 6.660 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.962 -17.087 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.971 -18.339 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.781 -17.577 5.330 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.332 -18.159 4.678 1.00 0.00 H new ATOM 1219 N ARG A 74 3.704 -13.541 5.242 1.00 0.00 N ATOM 1220 CA ARG A 74 4.009 -12.161 5.597 1.00 0.00 C ATOM 1221 C ARG A 74 3.533 -11.221 4.495 1.00 0.00 C ATOM 1222 O ARG A 74 2.911 -10.191 4.762 1.00 0.00 O ATOM 1223 CB ARG A 74 5.516 -11.992 5.810 1.00 0.00 C ATOM 1224 CG ARG A 74 5.925 -10.594 6.250 1.00 0.00 C ATOM 1225 CD ARG A 74 5.428 -10.283 7.649 1.00 0.00 C ATOM 1226 NE ARG A 74 6.070 -11.126 8.656 1.00 0.00 N ATOM 1227 CZ ARG A 74 5.418 -11.737 9.646 1.00 0.00 C ATOM 1228 NH1 ARG A 74 4.101 -11.596 9.760 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.086 -12.477 10.522 1.00 0.00 N ATOM 0 H ARG A 74 4.523 -14.144 5.166 1.00 0.00 H new ATOM 0 HA ARG A 74 3.491 -11.914 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.850 -12.710 6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.033 -12.236 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.011 -10.506 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.526 -9.860 5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.620 -9.235 7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.348 -10.426 7.691 1.00 0.00 H new ATOM 0 HE ARG A 74 7.080 -11.255 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.590 -11.021 9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.602 -12.063 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.097 -12.578 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.588 -12.945 11.279 1.00 0.00 H new ATOM 1243 N VAL A 75 3.831 -11.598 3.257 1.00 0.00 N ATOM 1244 CA VAL A 75 3.414 -10.829 2.092 1.00 0.00 C ATOM 1245 C VAL A 75 1.889 -10.797 1.976 1.00 0.00 C ATOM 1246 O VAL A 75 1.303 -9.786 1.583 1.00 0.00 O ATOM 1247 CB VAL A 75 4.016 -11.423 0.797 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.562 -10.643 -0.428 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.536 -11.447 0.877 1.00 0.00 C ATOM 0 H VAL A 75 4.364 -12.438 3.034 1.00 0.00 H new ATOM 0 HA VAL A 75 3.781 -9.811 2.222 1.00 0.00 H new ATOM 0 HB VAL A 75 3.655 -12.447 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.001 -11.084 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.475 -10.680 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.884 -9.606 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.942 -11.868 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.910 -10.431 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.846 -12.059 1.724 1.00 0.00 H new ATOM 1259 N ARG A 76 1.254 -11.907 2.337 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.195 -12.030 2.253 1.00 0.00 C ATOM 1261 C ARG A 76 -0.880 -11.028 3.174 1.00 0.00 C ATOM 1262 O ARG A 76 -1.909 -10.456 2.819 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.627 -13.453 2.610 1.00 0.00 C ATOM 1264 CG ARG A 76 -2.094 -13.742 2.329 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.448 -15.182 2.665 1.00 0.00 C ATOM 1266 NE ARG A 76 -1.607 -16.133 1.941 1.00 0.00 N ATOM 1267 CZ ARG A 76 -1.556 -17.441 2.199 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -2.354 -17.978 3.114 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -0.718 -18.213 1.522 1.00 0.00 N ATOM 0 H ARG A 76 1.725 -12.739 2.693 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.496 -11.814 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.014 -14.159 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.429 -13.628 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.718 -13.066 2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.310 -13.548 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.337 -15.342 3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.495 -15.365 2.422 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.020 -15.773 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.012 -17.390 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.309 -18.979 3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.115 -17.807 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.676 -19.213 1.716 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.300 -10.808 4.351 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.846 -9.842 5.295 1.00 0.00 C ATOM 1285 C TYR A 77 -0.816 -8.443 4.692 1.00 0.00 C ATOM 1286 O TYR A 77 -1.815 -7.723 4.718 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.065 -9.868 6.614 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.600 -8.904 7.652 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.709 -9.231 8.425 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.004 -7.665 7.852 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.209 -8.347 9.364 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.495 -6.780 8.793 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.598 -7.125 9.544 1.00 0.00 C ATOM 1294 OH TYR A 77 -2.094 -6.238 10.471 1.00 0.00 O ATOM 0 H TYR A 77 0.544 -11.284 4.671 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.880 -10.114 5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.089 -10.879 7.022 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.980 -9.630 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.187 -10.190 8.290 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.858 -7.389 7.262 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.074 -8.613 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.017 -5.823 8.939 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.546 -5.425 10.472 1.00 0.00 H new ATOM 1304 N ILE A 78 0.343 -8.070 4.158 1.00 0.00 N ATOM 1305 CA ILE A 78 0.507 -6.802 3.455 1.00 0.00 C ATOM 1306 C ILE A 78 -0.533 -6.651 2.343 1.00 0.00 C ATOM 1307 O ILE A 78 -1.053 -5.563 2.119 1.00 0.00 O ATOM 1308 CB ILE A 78 1.925 -6.677 2.849 1.00 0.00 C ATOM 1309 CG1 ILE A 78 2.987 -6.959 3.918 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.136 -5.293 2.241 1.00 0.00 C ATOM 1311 CD1 ILE A 78 2.872 -6.076 5.145 1.00 0.00 C ATOM 0 H ILE A 78 1.191 -8.635 4.200 1.00 0.00 H new ATOM 0 HA ILE A 78 0.364 -6.008 4.188 1.00 0.00 H new ATOM 0 HB ILE A 78 2.023 -7.416 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.912 -8.002 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.975 -6.826 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.140 -5.229 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.402 -5.126 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.017 -4.534 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.657 -6.336 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.978 -5.031 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.898 -6.225 5.611 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.842 -7.749 1.662 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.839 -7.732 0.593 1.00 0.00 C ATOM 1325 C HIS A 79 -3.214 -7.342 1.138 1.00 0.00 C ATOM 1326 O HIS A 79 -3.927 -6.537 0.539 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.916 -9.105 -0.089 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.735 -9.121 -1.347 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -4.084 -9.410 -1.374 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.380 -8.895 -2.633 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.517 -9.361 -2.619 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.503 -9.050 -3.400 1.00 0.00 N ATOM 0 H HIS A 79 -0.418 -8.662 1.829 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.534 -6.988 -0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.905 -9.440 -0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.336 -9.825 0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.393 -8.639 -2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.531 -9.545 -2.943 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.547 -8.942 -4.413 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.571 -7.916 2.278 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.865 -7.657 2.900 1.00 0.00 C ATOM 1343 C VAL A 80 -4.939 -6.229 3.440 1.00 0.00 C ATOM 1344 O VAL A 80 -5.917 -5.515 3.211 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.148 -8.653 4.048 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -6.515 -8.394 4.664 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -5.049 -10.088 3.554 1.00 0.00 C ATOM 0 H VAL A 80 -2.980 -8.568 2.795 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.622 -7.787 2.127 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.392 -8.503 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.692 -9.107 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.548 -7.380 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.285 -8.509 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.252 -10.771 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.778 -10.251 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.046 -10.272 3.169 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.892 -5.807 4.138 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.878 -4.488 4.754 1.00 0.00 C ATOM 1359 C VAL A 81 -3.784 -3.384 3.697 1.00 0.00 C ATOM 1360 O VAL A 81 -4.327 -2.293 3.878 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.734 -4.351 5.787 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.370 -4.350 5.118 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.923 -3.100 6.625 1.00 0.00 C ATOM 0 H VAL A 81 -3.046 -6.356 4.291 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.822 -4.373 5.286 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.774 -5.221 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.593 -4.252 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.231 -5.284 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.306 -3.513 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.110 -3.019 7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.921 -2.224 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.874 -3.157 7.155 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.122 -3.678 2.582 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.028 -2.723 1.486 1.00 0.00 C ATOM 1375 C LEU A 82 -4.395 -2.559 0.833 1.00 0.00 C ATOM 1376 O LEU A 82 -4.756 -1.477 0.371 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.998 -3.186 0.455 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.586 -2.130 -0.571 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.919 -0.950 0.119 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.654 -2.731 -1.606 1.00 0.00 C ATOM 0 H LEU A 82 -2.646 -4.565 2.415 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.702 -1.761 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.106 -3.525 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.401 -4.048 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.483 -1.774 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.632 -0.208 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.615 -0.502 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.031 -1.293 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.371 -1.966 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.240 -3.113 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.161 -3.547 -2.122 1.00 0.00 H new ATOM 1392 N HIS A 83 -5.159 -3.646 0.821 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.531 -3.621 0.333 1.00 0.00 C ATOM 1394 C HIS A 83 -7.360 -2.653 1.169 1.00 0.00 C ATOM 1395 O HIS A 83 -8.187 -1.915 0.639 1.00 0.00 O ATOM 1396 CB HIS A 83 -7.135 -5.030 0.388 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.579 -5.102 -0.017 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -9.164 -5.017 -1.233 1.00 0.00 N flip ATOM 1399 CD2 HIS A 83 -9.602 -5.310 0.881 1.00 0.00 C flip ATOM 1400 CE1 HIS A 83 -10.515 -5.178 -1.052 1.00 0.00 C flip ATOM 1401 NE2 HIS A 83 -10.751 -5.353 0.234 1.00 0.00 N flip ATOM 0 H HIS A 83 -4.847 -4.561 1.146 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.536 -3.282 -0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.555 -5.686 -0.261 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.035 -5.416 1.403 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.688 -4.862 -2.122 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.482 -5.421 1.949 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.261 -5.164 -1.833 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.117 -2.661 2.476 1.00 0.00 N ATOM 1411 CA GLU A 84 -7.790 -1.753 3.401 1.00 0.00 C ATOM 1412 C GLU A 84 -7.504 -0.296 3.032 1.00 0.00 C ATOM 1413 O GLU A 84 -8.415 0.529 2.952 1.00 0.00 O ATOM 1414 CB GLU A 84 -7.323 -2.032 4.834 1.00 0.00 C ATOM 1415 CG GLU A 84 -7.948 -1.127 5.884 1.00 0.00 C ATOM 1416 CD GLU A 84 -9.436 -1.364 6.046 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -9.831 -2.512 6.344 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -10.217 -0.410 5.879 1.00 0.00 O ATOM 0 H GLU A 84 -6.452 -3.293 2.923 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.865 -1.921 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.551 -3.068 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.239 -1.925 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.452 -1.290 6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.777 -0.086 5.609 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.233 0.006 2.794 1.00 0.00 N ATOM 1426 CA ALA A 85 -5.811 1.364 2.470 1.00 0.00 C ATOM 1427 C ALA A 85 -6.385 1.823 1.131 1.00 0.00 C ATOM 1428 O ALA A 85 -7.006 2.884 1.040 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.292 1.451 2.451 1.00 0.00 C ATOM 0 H ALA A 85 -5.474 -0.674 2.819 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.197 2.029 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.989 2.469 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.900 1.180 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.898 0.766 1.700 1.00 0.00 H new ATOM 1435 N MET A 86 -6.190 1.010 0.101 1.00 0.00 N ATOM 1436 CA MET A 86 -6.611 1.365 -1.252 1.00 0.00 C ATOM 1437 C MET A 86 -8.126 1.502 -1.363 1.00 0.00 C ATOM 1438 O MET A 86 -8.617 2.329 -2.130 1.00 0.00 O ATOM 1439 CB MET A 86 -6.089 0.345 -2.267 1.00 0.00 C ATOM 1440 CG MET A 86 -4.723 0.700 -2.834 1.00 0.00 C ATOM 1441 SD MET A 86 -3.472 0.943 -1.558 1.00 0.00 S ATOM 1442 CE MET A 86 -2.082 1.491 -2.546 1.00 0.00 C ATOM 0 H MET A 86 -5.742 0.097 0.175 1.00 0.00 H new ATOM 0 HA MET A 86 -6.178 2.339 -1.478 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.033 -0.634 -1.791 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.803 0.261 -3.086 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.398 -0.093 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.808 1.609 -3.430 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.227 1.683 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.822 0.718 -3.269 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.349 2.406 -3.074 1.00 0.00 H new ATOM 1452 N SER A 87 -8.868 0.710 -0.598 1.00 0.00 N ATOM 1453 CA SER A 87 -10.325 0.803 -0.613 1.00 0.00 C ATOM 1454 C SER A 87 -10.781 2.164 -0.087 1.00 0.00 C ATOM 1455 O SER A 87 -11.678 2.789 -0.655 1.00 0.00 O ATOM 1456 CB SER A 87 -10.951 -0.322 0.212 1.00 0.00 C ATOM 1457 OG SER A 87 -10.594 -1.590 -0.314 1.00 0.00 O ATOM 0 H SER A 87 -8.492 0.004 0.034 1.00 0.00 H new ATOM 0 HA SER A 87 -10.660 0.698 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.621 -0.247 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.036 -0.217 0.215 1.00 0.00 H new ATOM 0 HG SER A 87 -9.624 -1.713 -0.242 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.133 2.628 0.978 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.439 3.932 1.558 1.00 0.00 C ATOM 1465 C GLN A 88 -10.170 5.048 0.554 1.00 0.00 C ATOM 1466 O GLN A 88 -10.953 5.989 0.438 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.618 4.155 2.828 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.039 3.271 3.993 1.00 0.00 C ATOM 1469 CD GLN A 88 -9.148 3.448 5.200 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -9.390 4.309 6.048 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -8.115 2.628 5.293 1.00 0.00 N ATOM 0 H GLN A 88 -9.391 2.119 1.458 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.498 3.950 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.566 3.972 2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.704 5.200 3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.068 3.502 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.019 2.227 3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.952 1.929 4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.482 2.694 6.090 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.063 4.932 -0.171 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.729 5.900 -1.211 1.00 0.00 C ATOM 1482 C ALA A 89 -9.743 5.825 -2.348 1.00 0.00 C ATOM 1483 O ALA A 89 -10.217 6.847 -2.847 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.320 5.652 -1.735 1.00 0.00 C ATOM 0 H ALA A 89 -8.383 4.180 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.765 6.901 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.086 6.382 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.605 5.749 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.259 4.647 -2.153 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.075 4.600 -2.734 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.062 4.342 -3.779 1.00 0.00 C ATOM 1492 C ARG A 90 -12.388 5.032 -3.466 1.00 0.00 C ATOM 1493 O ARG A 90 -12.894 5.824 -4.261 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.281 2.834 -3.905 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.325 2.441 -4.934 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.723 0.984 -4.773 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.268 0.711 -3.440 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.225 -0.185 -3.190 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.744 -0.914 -4.173 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.666 -0.362 -1.948 1.00 0.00 N ATOM 0 H ARG A 90 -9.668 3.755 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.685 4.744 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.334 2.361 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.578 2.439 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.204 3.076 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.933 2.606 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.464 0.724 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.854 0.349 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.892 1.240 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.411 -0.791 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.475 -1.596 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.273 0.188 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.398 -1.047 -1.759 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.921 4.753 -2.286 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.224 5.267 -1.876 1.00 0.00 C ATOM 1516 C GLU A 91 -14.153 6.735 -1.468 1.00 0.00 C ATOM 1517 O GLU A 91 -15.110 7.291 -0.930 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.762 4.414 -0.734 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.088 2.994 -1.168 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.233 2.031 -0.011 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -16.328 1.953 0.580 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -14.254 1.319 0.289 1.00 0.00 O ATOM 0 H GLU A 91 -12.466 4.166 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.902 5.209 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.027 4.384 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.659 4.881 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.014 3.001 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.302 2.636 -1.833 1.00 0.00 H new ATOM 1529 N SER A 92 -13.012 7.356 -1.721 1.00 0.00 N ATOM 1530 CA SER A 92 -12.848 8.781 -1.505 1.00 0.00 C ATOM 1531 C SER A 92 -12.544 9.474 -2.833 1.00 0.00 C ATOM 1532 O SER A 92 -12.211 10.660 -2.873 1.00 0.00 O ATOM 1533 CB SER A 92 -11.731 9.030 -0.494 1.00 0.00 C ATOM 1534 OG SER A 92 -12.024 8.408 0.749 1.00 0.00 O ATOM 0 H SER A 92 -12.179 6.888 -2.080 1.00 0.00 H new ATOM 0 HA SER A 92 -13.773 9.195 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.789 8.645 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.601 10.102 -0.347 1.00 0.00 H new ATOM 0 HG SER A 92 -11.862 7.444 0.679 1.00 0.00 H new ATOM 1540 N GLY A 93 -12.648 8.711 -3.920 1.00 0.00 N ATOM 1541 CA GLY A 93 -12.449 9.260 -5.247 1.00 0.00 C ATOM 1542 C GLY A 93 -10.990 9.508 -5.568 1.00 0.00 C ATOM 1543 O GLY A 93 -10.669 10.179 -6.548 1.00 0.00 O ATOM 0 H GLY A 93 -12.868 7.715 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.867 8.575 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.999 10.197 -5.334 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.107 8.964 -4.747 1.00 0.00 N ATOM 1548 CA LEU A 94 -8.677 9.159 -4.931 1.00 0.00 C ATOM 1549 C LEU A 94 -8.085 8.027 -5.758 1.00 0.00 C ATOM 1550 O LEU A 94 -6.986 8.143 -6.292 1.00 0.00 O ATOM 1551 CB LEU A 94 -7.976 9.240 -3.577 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.504 10.328 -2.642 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.823 10.238 -1.291 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.296 11.707 -3.252 1.00 0.00 C ATOM 0 H LEU A 94 -10.355 8.383 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.524 10.097 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.070 8.276 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.913 9.410 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.574 10.173 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.209 11.019 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.021 9.262 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.748 10.368 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.678 12.467 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.232 11.873 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.828 11.769 -4.201 1.00 0.00 H new ATOM 1566 N LEU A 95 -8.824 6.933 -5.850 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.413 5.795 -6.650 1.00 0.00 C ATOM 1568 C LEU A 95 -9.635 5.185 -7.327 1.00 0.00 C ATOM 1569 O LEU A 95 -10.616 4.852 -6.669 1.00 0.00 O ATOM 1570 CB LEU A 95 -7.707 4.759 -5.774 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.034 3.612 -6.529 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.069 4.148 -7.573 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.306 2.704 -5.554 1.00 0.00 C ATOM 0 H LEU A 95 -9.719 6.811 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.711 6.125 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.953 5.269 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.435 4.338 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.804 3.036 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.602 3.315 -8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.612 4.768 -8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.300 4.746 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.830 1.890 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.547 3.276 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.018 2.293 -4.839 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.573 5.059 -8.642 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.720 4.611 -9.430 1.00 0.00 C ATOM 1587 C LEU A 96 -10.898 3.096 -9.382 1.00 0.00 C ATOM 1588 O LEU A 96 -11.977 2.580 -9.685 1.00 0.00 O ATOM 1589 CB LEU A 96 -10.580 5.069 -10.891 1.00 0.00 C ATOM 1590 CG LEU A 96 -9.466 4.397 -11.714 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -9.623 4.743 -13.185 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -8.082 4.821 -11.235 1.00 0.00 C ATOM 0 H LEU A 96 -8.739 5.261 -9.193 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.606 5.065 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.530 4.896 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.408 6.145 -10.897 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.558 3.320 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.830 4.263 -13.758 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.592 4.391 -13.540 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.560 5.824 -13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.321 4.327 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.978 5.902 -11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.956 4.538 -10.190 1.00 0.00 H new ATOM 1604 N GLN A 97 -9.850 2.382 -9.000 1.00 0.00 N ATOM 1605 CA GLN A 97 -9.866 0.924 -9.035 1.00 0.00 C ATOM 1606 C GLN A 97 -9.326 0.337 -7.738 1.00 0.00 C ATOM 1607 O GLN A 97 -8.765 1.053 -6.914 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.017 0.419 -10.207 1.00 0.00 C ATOM 1609 CG GLN A 97 -7.536 0.753 -10.073 1.00 0.00 C ATOM 1610 CD GLN A 97 -6.696 0.204 -11.209 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -7.027 -0.820 -11.807 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -5.590 0.867 -11.498 1.00 0.00 N ATOM 0 H GLN A 97 -8.977 2.787 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.900 0.604 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.132 -0.662 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.396 0.851 -11.133 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.416 1.836 -10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.164 0.355 -9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.351 1.712 -10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.975 0.534 -12.240 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.505 -0.965 -7.560 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.839 -1.679 -6.478 1.00 0.00 C ATOM 1623 C ASN A 98 -7.739 -2.571 -7.050 1.00 0.00 C ATOM 1624 O ASN A 98 -7.982 -3.694 -7.488 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.833 -2.480 -5.612 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.905 -3.247 -6.387 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -12.033 -3.379 -5.916 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -10.570 -3.789 -7.547 1.00 0.00 N ATOM 0 H ASN A 98 -10.103 -1.546 -8.148 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.383 -0.945 -5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.271 -3.189 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.327 -1.793 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.255 -4.332 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.627 -3.664 -7.915 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.501 -2.069 -7.063 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.380 -2.745 -7.713 1.00 0.00 C ATOM 1637 C PRO A 99 -4.957 -4.014 -6.982 1.00 0.00 C ATOM 1638 O PRO A 99 -4.343 -4.898 -7.572 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.251 -1.705 -7.682 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.896 -0.420 -7.280 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.087 -0.801 -6.455 1.00 0.00 C ATOM 0 HA PRO A 99 -5.642 -3.072 -8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.474 -1.992 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.774 -1.615 -8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.207 0.201 -6.708 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.195 0.158 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.830 -0.920 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.875 -0.049 -6.508 1.00 0.00 H new ATOM 1649 N THR A 100 -5.311 -4.104 -5.706 1.00 0.00 N ATOM 1650 CA THR A 100 -4.923 -5.237 -4.876 1.00 0.00 C ATOM 1651 C THR A 100 -5.512 -6.546 -5.396 1.00 0.00 C ATOM 1652 O THR A 100 -4.852 -7.585 -5.373 1.00 0.00 O ATOM 1653 CB THR A 100 -5.374 -5.025 -3.421 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.773 -4.710 -3.388 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.573 -3.908 -2.763 1.00 0.00 C ATOM 0 H THR A 100 -5.869 -3.401 -5.221 1.00 0.00 H new ATOM 0 HA THR A 100 -3.836 -5.304 -4.917 1.00 0.00 H new ATOM 0 HB THR A 100 -5.197 -5.946 -2.866 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.295 -5.539 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.909 -3.776 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.514 -4.168 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.721 -2.980 -3.315 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.740 -6.480 -5.893 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.464 -7.678 -6.304 1.00 0.00 C ATOM 1665 C GLU A 101 -6.884 -8.252 -7.592 1.00 0.00 C ATOM 1666 O GLU A 101 -7.100 -9.422 -7.918 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.950 -7.360 -6.482 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.555 -6.624 -5.296 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.248 -7.291 -3.968 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -10.017 -8.179 -3.550 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -8.238 -6.920 -3.335 1.00 0.00 O ATOM 0 H GLU A 101 -7.257 -5.610 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.355 -8.429 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.080 -6.756 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.497 -8.289 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.178 -5.601 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.636 -6.563 -5.425 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.144 -7.428 -8.317 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.472 -7.871 -9.528 1.00 0.00 C ATOM 1680 C ALA A 102 -3.978 -8.032 -9.279 1.00 0.00 C ATOM 1681 O ALA A 102 -3.243 -8.542 -10.129 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.724 -6.891 -10.665 1.00 0.00 C ATOM 0 H ALA A 102 -5.993 -6.446 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.878 -8.841 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.214 -7.238 -11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.795 -6.825 -10.858 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.344 -5.907 -10.389 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.538 -7.623 -8.096 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.128 -7.660 -7.747 1.00 0.00 C ATOM 1690 C ALA A 103 -1.757 -9.002 -7.151 1.00 0.00 C ATOM 1691 O ALA A 103 -1.966 -9.257 -5.964 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.784 -6.539 -6.783 1.00 0.00 C ATOM 0 H ALA A 103 -4.143 -7.260 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.550 -7.519 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.724 -6.585 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.006 -5.578 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.375 -6.647 -5.873 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.232 -9.861 -7.999 1.00 0.00 N ATOM 1699 CA LYS A 104 -0.816 -11.189 -7.605 1.00 0.00 C ATOM 1700 C LYS A 104 0.596 -11.452 -8.110 1.00 0.00 C ATOM 1701 O LYS A 104 0.883 -11.221 -9.283 1.00 0.00 O ATOM 1702 CB LYS A 104 -1.789 -12.223 -8.171 1.00 0.00 C ATOM 1703 CG LYS A 104 -2.113 -11.992 -9.639 1.00 0.00 C ATOM 1704 CD LYS A 104 -3.083 -13.025 -10.183 1.00 0.00 C ATOM 1705 CE LYS A 104 -3.519 -12.660 -11.591 1.00 0.00 C ATOM 1706 NZ LYS A 104 -4.238 -11.357 -11.620 1.00 0.00 N ATOM 0 H LYS A 104 -1.081 -9.656 -8.987 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.820 -11.266 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.363 -13.219 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.713 -12.200 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.539 -10.996 -9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.192 -12.019 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.612 -14.008 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.955 -13.091 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.646 -12.609 -12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.166 -13.443 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.819 -11.300 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.851 -11.280 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.547 -10.579 -11.616 1.00 0.00 H new ATOM 1720 N PRO A 105 1.498 -11.904 -7.230 1.00 0.00 N ATOM 1721 CA PRO A 105 2.867 -12.257 -7.618 1.00 0.00 C ATOM 1722 C PRO A 105 2.890 -13.417 -8.611 1.00 0.00 C ATOM 1723 O PRO A 105 2.519 -14.543 -8.271 1.00 0.00 O ATOM 1724 CB PRO A 105 3.535 -12.664 -6.298 1.00 0.00 C ATOM 1725 CG PRO A 105 2.661 -12.104 -5.226 1.00 0.00 C ATOM 1726 CD PRO A 105 1.268 -12.096 -5.790 1.00 0.00 C ATOM 0 HA PRO A 105 3.375 -11.432 -8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.614 -13.748 -6.215 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.547 -12.264 -6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.713 -12.712 -4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.977 -11.098 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.744 -13.030 -5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.665 -11.293 -5.366 1.00 0.00 H new ATOM 1734 N PRO A 106 3.299 -13.151 -9.858 1.00 0.00 N ATOM 1735 CA PRO A 106 3.333 -14.154 -10.914 1.00 0.00 C ATOM 1736 C PRO A 106 4.608 -14.986 -10.871 1.00 0.00 C ATOM 1737 O PRO A 106 5.659 -14.508 -10.437 1.00 0.00 O ATOM 1738 CB PRO A 106 3.280 -13.323 -12.208 1.00 0.00 C ATOM 1739 CG PRO A 106 3.297 -11.882 -11.787 1.00 0.00 C ATOM 1740 CD PRO A 106 3.754 -11.854 -10.356 1.00 0.00 C ATOM 0 HA PRO A 106 2.516 -14.869 -10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.131 -13.550 -12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.380 -13.550 -12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.970 -11.302 -12.419 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.306 -11.439 -11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.836 -11.745 -10.277 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.309 -11.027 -9.803 1.00 0.00 H new ATOM 1748 N ARG A 107 4.514 -16.227 -11.322 1.00 0.00 N ATOM 1749 CA ARG A 107 5.670 -17.105 -11.354 1.00 0.00 C ATOM 1750 C ARG A 107 6.495 -16.856 -12.611 1.00 0.00 C ATOM 1751 O ARG A 107 6.349 -15.817 -13.259 1.00 0.00 O ATOM 1752 CB ARG A 107 5.244 -18.573 -11.279 1.00 0.00 C ATOM 1753 CG ARG A 107 4.292 -19.009 -12.380 1.00 0.00 C ATOM 1754 CD ARG A 107 4.073 -20.512 -12.340 1.00 0.00 C ATOM 1755 NE ARG A 107 3.719 -20.979 -10.999 1.00 0.00 N ATOM 1756 CZ ARG A 107 3.911 -22.223 -10.561 1.00 0.00 C ATOM 1757 NH1 ARG A 107 4.440 -23.145 -11.357 1.00 0.00 N ATOM 1758 NH2 ARG A 107 3.566 -22.549 -9.323 1.00 0.00 N ATOM 0 H ARG A 107 3.652 -16.647 -11.670 1.00 0.00 H new ATOM 0 HA ARG A 107 6.286 -16.884 -10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.135 -19.199 -11.317 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.770 -18.752 -10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.338 -18.495 -12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.696 -18.721 -13.351 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.281 -20.782 -13.039 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.978 -21.019 -12.673 1.00 0.00 H new ATOM 0 HE ARG A 107 3.297 -20.308 -10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.703 -22.904 -12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.583 -24.094 -11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.154 -21.848 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 107 3.712 -23.501 -8.987 1.00 0.00 H new ATOM 1772 N HIS A 108 7.355 -17.815 -12.946 1.00 0.00 N ATOM 1773 CA HIS A 108 8.269 -17.684 -14.079 1.00 0.00 C ATOM 1774 C HIS A 108 9.194 -16.487 -13.844 1.00 0.00 C ATOM 1775 O HIS A 108 9.136 -15.493 -14.565 1.00 0.00 O ATOM 1776 CB HIS A 108 7.476 -17.524 -15.386 1.00 0.00 C ATOM 1777 CG HIS A 108 8.215 -17.962 -16.612 1.00 0.00 C ATOM 1778 ND1 HIS A 108 8.651 -17.095 -17.590 1.00 0.00 N ATOM 1779 CD2 HIS A 108 8.569 -19.200 -17.030 1.00 0.00 C ATOM 1780 CE1 HIS A 108 9.239 -17.779 -18.553 1.00 0.00 C ATOM 1781 NE2 HIS A 108 9.203 -19.058 -18.237 1.00 0.00 N ATOM 0 H HIS A 108 7.438 -18.699 -12.444 1.00 0.00 H new ATOM 0 HA HIS A 108 8.876 -18.585 -14.168 1.00 0.00 H new ATOM 0 HB2 HIS A 108 6.552 -18.097 -15.309 1.00 0.00 H new ATOM 0 HB3 HIS A 108 7.194 -16.477 -15.500 1.00 0.00 H new ATOM 0 HD2 HIS A 108 8.386 -20.128 -16.509 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.676 -17.362 -19.448 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.585 -19.819 -18.799 1.00 0.00 H new ATOM 1790 N PRO A 109 10.045 -16.580 -12.802 1.00 0.00 N ATOM 1791 CA PRO A 109 10.852 -15.457 -12.304 1.00 0.00 C ATOM 1792 C PRO A 109 11.729 -14.786 -13.354 1.00 0.00 C ATOM 1793 O PRO A 109 11.502 -13.627 -13.714 1.00 0.00 O ATOM 1794 CB PRO A 109 11.753 -16.088 -11.233 1.00 0.00 C ATOM 1795 CG PRO A 109 11.622 -17.563 -11.401 1.00 0.00 C ATOM 1796 CD PRO A 109 10.276 -17.801 -12.014 1.00 0.00 C ATOM 0 HA PRO A 109 10.192 -14.666 -11.948 1.00 0.00 H new ATOM 0 HB2 PRO A 109 12.788 -15.772 -11.359 1.00 0.00 H new ATOM 0 HB3 PRO A 109 11.445 -15.780 -10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 109 12.414 -17.953 -12.040 1.00 0.00 H new ATOM 0 HG3 PRO A 109 11.707 -18.072 -10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 109 10.271 -18.692 -12.642 1.00 0.00 H new ATOM 0 HD3 PRO A 109 9.507 -17.942 -11.255 1.00 0.00 H new ATOM 1804 N LEU A 110 12.719 -15.530 -13.837 1.00 0.00 N ATOM 1805 CA LEU A 110 13.815 -14.969 -14.617 1.00 0.00 C ATOM 1806 C LEU A 110 14.595 -13.977 -13.771 1.00 0.00 C ATOM 1807 O LEU A 110 14.267 -12.790 -13.703 1.00 0.00 O ATOM 1808 CB LEU A 110 13.342 -14.321 -15.926 1.00 0.00 C ATOM 1809 CG LEU A 110 13.012 -15.306 -17.048 1.00 0.00 C ATOM 1810 CD1 LEU A 110 14.126 -16.327 -17.186 1.00 0.00 C ATOM 1811 CD2 LEU A 110 11.683 -15.995 -16.797 1.00 0.00 C ATOM 0 H LEU A 110 12.783 -16.538 -13.698 1.00 0.00 H new ATOM 0 HA LEU A 110 14.468 -15.793 -14.903 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.457 -13.720 -15.718 1.00 0.00 H new ATOM 0 HB3 LEU A 110 14.116 -13.638 -16.277 1.00 0.00 H new ATOM 0 HG LEU A 110 12.926 -14.749 -17.981 1.00 0.00 H new ATOM 0 HD11 LEU A 110 13.883 -17.025 -17.987 1.00 0.00 H new ATOM 0 HD12 LEU A 110 15.060 -15.817 -17.420 1.00 0.00 H new ATOM 0 HD13 LEU A 110 14.236 -16.874 -16.250 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.474 -16.690 -17.611 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.729 -16.542 -15.855 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.890 -15.249 -16.745 1.00 0.00 H new ATOM 1823 N GLU A 111 15.604 -14.498 -13.089 1.00 0.00 N ATOM 1824 CA GLU A 111 16.425 -13.711 -12.180 1.00 0.00 C ATOM 1825 C GLU A 111 17.128 -12.576 -12.916 1.00 0.00 C ATOM 1826 O GLU A 111 17.311 -12.626 -14.135 1.00 0.00 O ATOM 1827 CB GLU A 111 17.476 -14.596 -11.493 1.00 0.00 C ATOM 1828 CG GLU A 111 16.920 -15.861 -10.848 1.00 0.00 C ATOM 1829 CD GLU A 111 16.748 -17.004 -11.833 1.00 0.00 C ATOM 1830 OE1 GLU A 111 17.735 -17.725 -12.089 1.00 0.00 O ATOM 1831 OE2 GLU A 111 15.632 -17.181 -12.362 1.00 0.00 O ATOM 0 H GLU A 111 15.877 -15.479 -13.150 1.00 0.00 H new ATOM 0 HA GLU A 111 15.761 -13.286 -11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 111 18.229 -14.880 -12.228 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.983 -14.007 -10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 111 17.588 -16.177 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.957 -15.635 -10.390 1.00 0.00 H new ATOM 1838 N HIS A 112 17.551 -11.571 -12.160 1.00 0.00 N ATOM 1839 CA HIS A 112 18.276 -10.428 -12.713 1.00 0.00 C ATOM 1840 C HIS A 112 19.740 -10.811 -12.957 1.00 0.00 C ATOM 1841 O HIS A 112 20.647 -9.995 -12.792 1.00 0.00 O ATOM 1842 CB HIS A 112 18.177 -9.245 -11.733 1.00 0.00 C ATOM 1843 CG HIS A 112 18.696 -7.942 -12.270 1.00 0.00 C ATOM 1844 ND1 HIS A 112 19.619 -7.163 -11.601 1.00 0.00 N ATOM 1845 CD2 HIS A 112 18.401 -7.274 -13.410 1.00 0.00 C ATOM 1846 CE1 HIS A 112 19.867 -6.076 -12.307 1.00 0.00 C ATOM 1847 NE2 HIS A 112 19.144 -6.119 -13.408 1.00 0.00 N ATOM 0 H HIS A 112 17.404 -11.522 -11.152 1.00 0.00 H new ATOM 0 HA HIS A 112 17.836 -10.135 -13.666 1.00 0.00 H new ATOM 0 HB2 HIS A 112 17.134 -9.115 -11.446 1.00 0.00 H new ATOM 0 HB3 HIS A 112 18.728 -9.494 -10.826 1.00 0.00 H new ATOM 0 HD2 HIS A 112 17.710 -7.590 -14.178 1.00 0.00 H new ATOM 0 HE1 HIS A 112 20.548 -5.285 -12.029 1.00 0.00 H new ATOM 0 HE2 HIS A 112 19.137 -5.409 -14.140 1.00 0.00 H new ATOM 1856 N HIS A 113 19.941 -12.059 -13.388 1.00 0.00 N ATOM 1857 CA HIS A 113 21.269 -12.658 -13.537 1.00 0.00 C ATOM 1858 C HIS A 113 21.924 -12.841 -12.173 1.00 0.00 C ATOM 1859 O HIS A 113 22.051 -13.960 -11.681 1.00 0.00 O ATOM 1860 CB HIS A 113 22.172 -11.832 -14.463 1.00 0.00 C ATOM 1861 CG HIS A 113 21.770 -11.885 -15.905 1.00 0.00 C ATOM 1862 ND1 HIS A 113 22.429 -12.657 -16.831 1.00 0.00 N ATOM 1863 CD2 HIS A 113 20.775 -11.260 -16.579 1.00 0.00 C ATOM 1864 CE1 HIS A 113 21.861 -12.509 -18.011 1.00 0.00 C ATOM 1865 NE2 HIS A 113 20.854 -11.665 -17.888 1.00 0.00 N ATOM 0 H HIS A 113 19.180 -12.687 -13.645 1.00 0.00 H new ATOM 0 HA HIS A 113 21.137 -13.635 -14.002 1.00 0.00 H new ATOM 0 HB2 HIS A 113 22.164 -10.794 -14.131 1.00 0.00 H new ATOM 0 HB3 HIS A 113 23.197 -12.189 -14.368 1.00 0.00 H new ATOM 0 HD2 HIS A 113 20.054 -10.571 -16.164 1.00 0.00 H new ATOM 0 HE1 HIS A 113 22.168 -12.996 -18.925 1.00 0.00 H new ATOM 0 HE2 HIS A 113 20.236 -11.363 -18.642 1.00 0.00 H new ATOM 1874 N HIS A 114 22.301 -11.740 -11.551 1.00 0.00 N ATOM 1875 CA HIS A 114 22.907 -11.775 -10.233 1.00 0.00 C ATOM 1876 C HIS A 114 22.473 -10.555 -9.433 1.00 0.00 C ATOM 1877 O HIS A 114 22.520 -9.428 -9.928 1.00 0.00 O ATOM 1878 CB HIS A 114 24.440 -11.866 -10.328 1.00 0.00 C ATOM 1879 CG HIS A 114 25.096 -10.727 -11.050 1.00 0.00 C ATOM 1880 ND1 HIS A 114 26.006 -9.886 -10.451 1.00 0.00 N ATOM 1881 CD2 HIS A 114 24.981 -10.302 -12.329 1.00 0.00 C ATOM 1882 CE1 HIS A 114 26.418 -8.991 -11.329 1.00 0.00 C ATOM 1883 NE2 HIS A 114 25.812 -9.222 -12.479 1.00 0.00 N ATOM 0 H HIS A 114 22.197 -10.803 -11.941 1.00 0.00 H new ATOM 0 HA HIS A 114 22.564 -12.670 -9.714 1.00 0.00 H new ATOM 0 HB2 HIS A 114 24.849 -11.922 -9.319 1.00 0.00 H new ATOM 0 HB3 HIS A 114 24.704 -12.796 -10.831 1.00 0.00 H new ATOM 0 HD2 HIS A 114 24.350 -10.734 -13.092 1.00 0.00 H new ATOM 0 HE1 HIS A 114 27.131 -8.202 -11.139 1.00 0.00 H new ATOM 0 HE2 HIS A 114 25.941 -8.686 -13.337 1.00 0.00 H new ATOM 1892 N HIS A 115 22.025 -10.795 -8.209 1.00 0.00 N ATOM 1893 CA HIS A 115 21.486 -9.734 -7.367 1.00 0.00 C ATOM 1894 C HIS A 115 22.604 -8.834 -6.843 1.00 0.00 C ATOM 1895 O HIS A 115 22.623 -7.639 -7.140 1.00 0.00 O ATOM 1896 CB HIS A 115 20.692 -10.334 -6.198 1.00 0.00 C ATOM 1897 CG HIS A 115 20.028 -9.314 -5.315 1.00 0.00 C ATOM 1898 ND1 HIS A 115 18.672 -9.072 -5.327 1.00 0.00 N ATOM 1899 CD2 HIS A 115 20.544 -8.477 -4.382 1.00 0.00 C ATOM 1900 CE1 HIS A 115 18.387 -8.129 -4.449 1.00 0.00 C ATOM 1901 NE2 HIS A 115 19.504 -7.751 -3.861 1.00 0.00 N ATOM 0 H HIS A 115 22.024 -11.718 -7.775 1.00 0.00 H new ATOM 0 HA HIS A 115 20.814 -9.125 -7.973 1.00 0.00 H new ATOM 0 HB2 HIS A 115 19.930 -11.004 -6.597 1.00 0.00 H new ATOM 0 HB3 HIS A 115 21.364 -10.941 -5.591 1.00 0.00 H new ATOM 0 HD1 HIS A 115 17.994 -9.548 -5.922 1.00 0.00 H new ATOM 0 HD2 HIS A 115 21.584 -8.397 -4.101 1.00 0.00 H new ATOM 0 HE1 HIS A 115 17.403 -7.733 -4.246 1.00 0.00 H new ATOM 1910 N HIS A 116 23.523 -9.427 -6.075 1.00 0.00 N ATOM 1911 CA HIS A 116 24.613 -8.696 -5.416 1.00 0.00 C ATOM 1912 C HIS A 116 24.081 -7.760 -4.328 1.00 0.00 C ATOM 1913 O HIS A 116 23.296 -6.851 -4.594 1.00 0.00 O ATOM 1914 CB HIS A 116 25.459 -7.906 -6.428 1.00 0.00 C ATOM 1915 CG HIS A 116 26.582 -7.136 -5.797 1.00 0.00 C ATOM 1916 ND1 HIS A 116 27.836 -7.663 -5.592 1.00 0.00 N ATOM 1917 CD2 HIS A 116 26.623 -5.877 -5.300 1.00 0.00 C ATOM 1918 CE1 HIS A 116 28.596 -6.766 -4.993 1.00 0.00 C ATOM 1919 NE2 HIS A 116 27.886 -5.671 -4.805 1.00 0.00 N ATOM 0 H HIS A 116 23.533 -10.430 -5.891 1.00 0.00 H new ATOM 0 HA HIS A 116 25.254 -9.442 -4.945 1.00 0.00 H new ATOM 0 HB2 HIS A 116 25.871 -8.597 -7.163 1.00 0.00 H new ATOM 0 HB3 HIS A 116 24.813 -7.214 -6.968 1.00 0.00 H new ATOM 0 HD2 HIS A 116 25.811 -5.165 -5.294 1.00 0.00 H new ATOM 0 HE1 HIS A 116 29.627 -6.905 -4.705 1.00 0.00 H new ATOM 0 HE2 HIS A 116 28.220 -4.814 -4.365 1.00 0.00 H new ATOM 1928 N HIS A 117 24.512 -7.995 -3.100 1.00 0.00 N ATOM 1929 CA HIS A 117 24.131 -7.142 -1.986 1.00 0.00 C ATOM 1930 C HIS A 117 25.052 -5.924 -1.922 1.00 0.00 C ATOM 1931 O HIS A 117 26.212 -6.083 -1.490 1.00 0.00 O ATOM 1932 CB HIS A 117 24.183 -7.929 -0.669 1.00 0.00 C ATOM 1933 CG HIS A 117 23.787 -7.131 0.536 1.00 0.00 C ATOM 1934 ND1 HIS A 117 22.530 -7.191 1.097 1.00 0.00 N ATOM 1935 CD2 HIS A 117 24.495 -6.264 1.299 1.00 0.00 C ATOM 1936 CE1 HIS A 117 22.482 -6.395 2.149 1.00 0.00 C ATOM 1937 NE2 HIS A 117 23.660 -5.823 2.290 1.00 0.00 N ATOM 1938 OXT HIS A 117 24.609 -4.822 -2.306 1.00 0.00 O ATOM 0 H HIS A 117 25.126 -8.770 -2.849 1.00 0.00 H new ATOM 0 HA HIS A 117 23.108 -6.798 -2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 117 23.527 -8.795 -0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 117 25.195 -8.308 -0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 117 25.525 -5.975 1.153 1.00 0.00 H new ATOM 0 HE1 HIS A 117 21.623 -6.239 2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 117 23.910 -5.157 3.021 1.00 0.00 H new TER 1947 HIS A 117