USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 846 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= -0.503 USER MOD Set 2.1: A 58 SER OG : rot -96:sc= 1 USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0.438 K(o=1.4,f=-8.1!) USER MOD Set 3.1: A 50 THR OG1 : rot 180:sc= -0.0484 USER MOD Set 3.2: A 51 CYS SG : rot -160:sc= 0 USER MOD Set 4.1: A 38 GLN : amide:sc= -1.05 K(o=-2.5,f=-3.8!) USER MOD Set 4.2: A 42 MET CE :methyl -107:sc= -1.49 (180deg=-3!) USER MOD Set 5.1: A 22 TYR OH : rot 9:sc= 0.468! USER MOD Set 5.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.011 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.123 USER MOD Single : A 8 MET CE :methyl -172:sc= 0 (180deg=-0.0462) USER MOD Single : A 9 SER OG : rot -130:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 134:sc= 0.313 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0217 USER MOD Single : A 19 SER OG : rot -47:sc= 0.0294 USER MOD Single : A 23 MET CE :methyl -126:sc= -1.24 (180deg=-2.85!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.36 K(o=-1.4,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -2.9! C(o=-2.9!,f=-2.5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 86:sc= 1.25 USER MOD Single : A 62 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.00038) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.101 K(o=-0.1,f=-4.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00755 X(o=-0.0075,f=-0.28) USER MOD Single : A 87 HIS : no HD1:sc= -9.05! C(o=-9.1!,f=-12!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.173) USER MOD Single : A 98 HIS : no HD1:sc= -3.17! K(o=-3.2!,f=-1.5) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -46:sc= 0.296 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.226 11.993 -25.426 1.00 0.00 N ATOM 2 CA GLY A 1 -8.276 12.232 -24.453 1.00 0.00 C ATOM 3 C GLY A 1 -8.921 13.594 -24.620 1.00 0.00 C ATOM 4 O GLY A 1 -8.242 14.578 -24.911 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.417 11.536 -24.959 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.586 11.373 -26.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.922 12.898 -25.838 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.038 11.458 -24.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.862 12.150 -23.448 1.00 0.00 H new ATOM 8 N SER A 2 -10.236 13.650 -24.436 1.00 0.00 N ATOM 9 CA SER A 2 -10.974 14.900 -24.573 1.00 0.00 C ATOM 10 C SER A 2 -11.830 15.164 -23.338 1.00 0.00 C ATOM 11 O SER A 2 -12.992 14.761 -23.277 1.00 0.00 O ATOM 12 CB SER A 2 -11.858 14.862 -25.821 1.00 0.00 C ATOM 13 OG SER A 2 -12.132 16.169 -26.293 1.00 0.00 O ATOM 0 H SER A 2 -10.812 12.845 -24.192 1.00 0.00 H new ATOM 0 HA SER A 2 -10.251 15.710 -24.673 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.363 14.286 -26.603 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.793 14.351 -25.592 1.00 0.00 H new ATOM 0 HG SER A 2 -12.697 16.117 -27.092 1.00 0.00 H new ATOM 19 N SER A 3 -11.248 15.844 -22.356 1.00 0.00 N ATOM 20 CA SER A 3 -11.955 16.159 -21.120 1.00 0.00 C ATOM 21 C SER A 3 -11.626 17.573 -20.651 1.00 0.00 C ATOM 22 O SER A 3 -10.485 18.023 -20.750 1.00 0.00 O ATOM 23 CB SER A 3 -11.591 15.151 -20.029 1.00 0.00 C ATOM 24 OG SER A 3 -12.453 15.276 -18.911 1.00 0.00 O ATOM 0 H SER A 3 -10.288 16.188 -22.392 1.00 0.00 H new ATOM 0 HA SER A 3 -13.025 16.100 -21.318 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.654 14.139 -20.429 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.559 15.307 -19.715 1.00 0.00 H new ATOM 0 HG SER A 3 -12.201 14.620 -18.228 1.00 0.00 H new ATOM 30 N GLY A 4 -12.636 18.271 -20.141 1.00 0.00 N ATOM 31 CA GLY A 4 -12.436 19.627 -19.665 1.00 0.00 C ATOM 32 C GLY A 4 -11.452 19.698 -18.513 1.00 0.00 C ATOM 33 O GLY A 4 -10.240 19.631 -18.719 1.00 0.00 O ATOM 0 H GLY A 4 -13.590 17.921 -20.049 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.075 20.247 -20.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.393 20.042 -19.348 1.00 0.00 H new ATOM 37 N SER A 5 -11.974 19.835 -17.299 1.00 0.00 N ATOM 38 CA SER A 5 -11.133 19.920 -16.111 1.00 0.00 C ATOM 39 C SER A 5 -11.170 18.614 -15.323 1.00 0.00 C ATOM 40 O SER A 5 -12.218 18.208 -14.822 1.00 0.00 O ATOM 41 CB SER A 5 -11.587 21.078 -15.220 1.00 0.00 C ATOM 42 OG SER A 5 -10.907 21.064 -13.977 1.00 0.00 O ATOM 0 H SER A 5 -12.975 19.890 -17.112 1.00 0.00 H new ATOM 0 HA SER A 5 -10.108 20.100 -16.435 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.403 22.025 -15.728 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.662 21.011 -15.051 1.00 0.00 H new ATOM 0 HG SER A 5 -11.214 21.815 -13.427 1.00 0.00 H new ATOM 48 N SER A 6 -10.018 17.959 -15.220 1.00 0.00 N ATOM 49 CA SER A 6 -9.918 16.697 -14.497 1.00 0.00 C ATOM 50 C SER A 6 -10.772 16.725 -13.234 1.00 0.00 C ATOM 51 O SER A 6 -11.506 15.780 -12.946 1.00 0.00 O ATOM 52 CB SER A 6 -8.460 16.406 -14.134 1.00 0.00 C ATOM 53 OG SER A 6 -7.996 17.298 -13.136 1.00 0.00 O ATOM 0 H SER A 6 -9.141 18.282 -15.628 1.00 0.00 H new ATOM 0 HA SER A 6 -10.288 15.905 -15.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.368 15.379 -13.780 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.836 16.494 -15.023 1.00 0.00 H new ATOM 0 HG SER A 6 -7.063 17.091 -12.920 1.00 0.00 H new ATOM 59 N GLY A 7 -10.671 17.817 -12.482 1.00 0.00 N ATOM 60 CA GLY A 7 -11.439 17.949 -11.258 1.00 0.00 C ATOM 61 C GLY A 7 -10.631 18.557 -10.129 1.00 0.00 C ATOM 62 O GLY A 7 -9.730 19.362 -10.365 1.00 0.00 O ATOM 0 H GLY A 7 -10.071 18.613 -12.699 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.316 18.568 -11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.802 16.968 -10.953 1.00 0.00 H new ATOM 66 N MET A 8 -10.953 18.172 -8.898 1.00 0.00 N ATOM 67 CA MET A 8 -10.250 18.685 -7.728 1.00 0.00 C ATOM 68 C MET A 8 -9.852 17.549 -6.791 1.00 0.00 C ATOM 69 O MET A 8 -10.676 17.043 -6.030 1.00 0.00 O ATOM 70 CB MET A 8 -11.126 19.694 -6.983 1.00 0.00 C ATOM 71 CG MET A 8 -11.161 21.067 -7.634 1.00 0.00 C ATOM 72 SD MET A 8 -9.544 21.862 -7.667 1.00 0.00 S ATOM 73 CE MET A 8 -9.386 22.378 -5.959 1.00 0.00 C ATOM 0 H MET A 8 -11.696 17.507 -8.685 1.00 0.00 H new ATOM 0 HA MET A 8 -9.343 19.184 -8.069 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.142 19.304 -6.921 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.761 19.795 -5.961 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.536 20.972 -8.653 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.863 21.703 -7.094 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.504 23.008 -5.850 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.272 22.940 -5.665 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.286 21.500 -5.321 1.00 0.00 H new ATOM 83 N SER A 9 -8.584 17.154 -6.853 1.00 0.00 N ATOM 84 CA SER A 9 -8.079 16.075 -6.013 1.00 0.00 C ATOM 85 C SER A 9 -6.557 15.991 -6.094 1.00 0.00 C ATOM 86 O SER A 9 -5.932 16.650 -6.924 1.00 0.00 O ATOM 87 CB SER A 9 -8.698 14.740 -6.433 1.00 0.00 C ATOM 88 OG SER A 9 -8.525 14.512 -7.820 1.00 0.00 O ATOM 0 H SER A 9 -7.889 17.565 -7.476 1.00 0.00 H new ATOM 0 HA SER A 9 -8.360 16.289 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.239 13.929 -5.868 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.761 14.736 -6.190 1.00 0.00 H new ATOM 0 HG SER A 9 -9.385 14.265 -8.221 1.00 0.00 H new ATOM 94 N SER A 10 -5.969 15.174 -5.226 1.00 0.00 N ATOM 95 CA SER A 10 -4.521 15.005 -5.196 1.00 0.00 C ATOM 96 C SER A 10 -4.140 13.541 -5.397 1.00 0.00 C ATOM 97 O SER A 10 -3.367 13.207 -6.294 1.00 0.00 O ATOM 98 CB SER A 10 -3.954 15.514 -3.869 1.00 0.00 C ATOM 99 OG SER A 10 -3.804 16.923 -3.886 1.00 0.00 O ATOM 0 H SER A 10 -6.473 14.619 -4.534 1.00 0.00 H new ATOM 0 HA SER A 10 -4.095 15.588 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.616 15.225 -3.052 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.989 15.045 -3.678 1.00 0.00 H new ATOM 0 HG SER A 10 -3.442 17.224 -3.026 1.00 0.00 H new ATOM 105 N ALA A 11 -4.689 12.673 -4.554 1.00 0.00 N ATOM 106 CA ALA A 11 -4.410 11.245 -4.639 1.00 0.00 C ATOM 107 C ALA A 11 -5.189 10.600 -5.780 1.00 0.00 C ATOM 108 O ALA A 11 -6.298 10.101 -5.584 1.00 0.00 O ATOM 109 CB ALA A 11 -4.741 10.563 -3.320 1.00 0.00 C ATOM 0 H ALA A 11 -5.330 12.934 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.347 11.120 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.528 9.497 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.136 10.997 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.797 10.706 -3.091 1.00 0.00 H new ATOM 115 N ARG A 12 -4.603 10.614 -6.973 1.00 0.00 N ATOM 116 CA ARG A 12 -5.244 10.032 -8.146 1.00 0.00 C ATOM 117 C ARG A 12 -4.390 8.912 -8.733 1.00 0.00 C ATOM 118 O ARG A 12 -3.517 9.155 -9.567 1.00 0.00 O ATOM 119 CB ARG A 12 -5.492 11.108 -9.205 1.00 0.00 C ATOM 120 CG ARG A 12 -6.775 11.892 -8.988 1.00 0.00 C ATOM 121 CD ARG A 12 -7.979 11.161 -9.560 1.00 0.00 C ATOM 122 NE ARG A 12 -9.128 12.047 -9.729 1.00 0.00 N ATOM 123 CZ ARG A 12 -10.382 11.616 -9.810 1.00 0.00 C ATOM 124 NH1 ARG A 12 -10.647 10.319 -9.738 1.00 0.00 N ATOM 125 NH2 ARG A 12 -11.374 12.484 -9.964 1.00 0.00 N ATOM 0 H ARG A 12 -3.686 11.022 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.200 9.611 -7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.650 11.800 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.526 10.638 -10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.923 12.061 -7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.687 12.872 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.714 10.724 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.250 10.337 -8.900 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.958 13.051 -9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.887 9.649 -9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.611 9.991 -9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.174 13.483 -10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.337 12.153 -10.026 1.00 0.00 H new ATOM 139 N PHE A 13 -4.647 7.685 -8.292 1.00 0.00 N ATOM 140 CA PHE A 13 -3.901 6.528 -8.772 1.00 0.00 C ATOM 141 C PHE A 13 -4.817 5.319 -8.934 1.00 0.00 C ATOM 142 O PHE A 13 -5.960 5.327 -8.476 1.00 0.00 O ATOM 143 CB PHE A 13 -2.761 6.193 -7.807 1.00 0.00 C ATOM 144 CG PHE A 13 -3.222 5.945 -6.399 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.633 6.997 -5.596 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.244 4.661 -5.879 1.00 0.00 C ATOM 147 CE1 PHE A 13 -4.057 6.771 -4.300 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.666 4.430 -4.584 1.00 0.00 C ATOM 149 CZ PHE A 13 -4.074 5.486 -3.793 1.00 0.00 C ATOM 0 H PHE A 13 -5.366 7.466 -7.603 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.481 6.777 -9.747 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.236 5.309 -8.170 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.043 7.013 -7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.622 8.004 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.928 3.831 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.375 7.599 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.677 3.424 -4.190 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.405 5.308 -2.781 1.00 0.00 H new ATOM 159 N ASP A 14 -4.308 4.282 -9.590 1.00 0.00 N ATOM 160 CA ASP A 14 -5.079 3.065 -9.813 1.00 0.00 C ATOM 161 C ASP A 14 -4.712 1.994 -8.791 1.00 0.00 C ATOM 162 O ASP A 14 -3.803 1.194 -9.015 1.00 0.00 O ATOM 163 CB ASP A 14 -4.843 2.538 -11.230 1.00 0.00 C ATOM 164 CG ASP A 14 -5.351 3.491 -12.294 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.575 3.739 -12.332 1.00 0.00 O ATOM 166 OD2 ASP A 14 -4.526 3.988 -13.089 1.00 0.00 O ATOM 0 H ASP A 14 -3.364 4.260 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.135 3.307 -9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.777 2.368 -11.378 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.339 1.574 -11.343 1.00 0.00 H new ATOM 171 N SER A 15 -5.423 1.985 -7.669 1.00 0.00 N ATOM 172 CA SER A 15 -5.169 1.015 -6.610 1.00 0.00 C ATOM 173 C SER A 15 -5.173 -0.407 -7.163 1.00 0.00 C ATOM 174 O SER A 15 -4.516 -1.297 -6.623 1.00 0.00 O ATOM 175 CB SER A 15 -6.218 1.148 -5.504 1.00 0.00 C ATOM 176 OG SER A 15 -7.480 0.673 -5.940 1.00 0.00 O ATOM 0 H SER A 15 -6.180 2.639 -7.469 1.00 0.00 H new ATOM 0 HA SER A 15 -4.184 1.221 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.898 0.587 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.303 2.192 -5.202 1.00 0.00 H new ATOM 0 HG SER A 15 -7.867 0.093 -5.252 1.00 0.00 H new ATOM 182 N SER A 16 -5.920 -0.613 -8.243 1.00 0.00 N ATOM 183 CA SER A 16 -6.015 -1.927 -8.868 1.00 0.00 C ATOM 184 C SER A 16 -4.753 -2.241 -9.666 1.00 0.00 C ATOM 185 O SER A 16 -4.253 -3.365 -9.640 1.00 0.00 O ATOM 186 CB SER A 16 -7.240 -1.993 -9.781 1.00 0.00 C ATOM 187 OG SER A 16 -7.070 -1.172 -10.923 1.00 0.00 O ATOM 0 H SER A 16 -6.468 0.113 -8.703 1.00 0.00 H new ATOM 0 HA SER A 16 -6.119 -2.671 -8.079 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.410 -3.024 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.126 -1.676 -9.230 1.00 0.00 H new ATOM 0 HG SER A 16 -7.866 -1.233 -11.491 1.00 0.00 H new ATOM 193 N ASP A 17 -4.245 -1.238 -10.374 1.00 0.00 N ATOM 194 CA ASP A 17 -3.041 -1.406 -11.180 1.00 0.00 C ATOM 195 C ASP A 17 -1.834 -1.710 -10.298 1.00 0.00 C ATOM 196 O ASP A 17 -1.160 -0.800 -9.815 1.00 0.00 O ATOM 197 CB ASP A 17 -2.777 -0.147 -12.009 1.00 0.00 C ATOM 198 CG ASP A 17 -1.748 -0.377 -13.098 1.00 0.00 C ATOM 199 OD1 ASP A 17 -2.089 -1.025 -14.109 1.00 0.00 O ATOM 200 OD2 ASP A 17 -0.601 0.091 -12.939 1.00 0.00 O ATOM 0 H ASP A 17 -4.647 -0.301 -10.406 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.199 -2.249 -11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.710 0.190 -12.460 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.434 0.652 -11.352 1.00 0.00 H new ATOM 205 N ARG A 18 -1.568 -2.996 -10.090 1.00 0.00 N ATOM 206 CA ARG A 18 -0.445 -3.420 -9.264 1.00 0.00 C ATOM 207 C ARG A 18 0.879 -2.964 -9.871 1.00 0.00 C ATOM 208 O ARG A 18 1.821 -2.630 -9.152 1.00 0.00 O ATOM 209 CB ARG A 18 -0.448 -4.941 -9.104 1.00 0.00 C ATOM 210 CG ARG A 18 -1.228 -5.425 -7.892 1.00 0.00 C ATOM 211 CD ARG A 18 -1.820 -6.806 -8.126 1.00 0.00 C ATOM 212 NE ARG A 18 -3.045 -6.749 -8.920 1.00 0.00 N ATOM 213 CZ ARG A 18 -3.573 -7.802 -9.533 1.00 0.00 C ATOM 214 NH1 ARG A 18 -2.987 -8.988 -9.443 1.00 0.00 N ATOM 215 NH2 ARG A 18 -4.690 -7.671 -10.237 1.00 0.00 N ATOM 0 H ARG A 18 -2.116 -3.762 -10.483 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.553 -2.958 -8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.872 -5.391 -10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.581 -5.292 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.571 -5.452 -7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.027 -4.719 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.087 -7.433 -8.634 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.032 -7.277 -7.166 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.521 -5.851 -9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.129 -9.093 -8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.395 -9.795 -9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.144 -6.761 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.094 -8.481 -10.707 1.00 0.00 H new ATOM 229 N SER A 19 0.943 -2.955 -11.199 1.00 0.00 N ATOM 230 CA SER A 19 2.153 -2.545 -11.903 1.00 0.00 C ATOM 231 C SER A 19 2.385 -1.044 -11.755 1.00 0.00 C ATOM 232 O SER A 19 3.345 -0.498 -12.296 1.00 0.00 O ATOM 233 CB SER A 19 2.056 -2.915 -13.384 1.00 0.00 C ATOM 234 OG SER A 19 3.343 -3.013 -13.970 1.00 0.00 O ATOM 0 H SER A 19 0.172 -3.227 -11.809 1.00 0.00 H new ATOM 0 HA SER A 19 2.999 -3.071 -11.459 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.531 -3.864 -13.491 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.469 -2.164 -13.912 1.00 0.00 H new ATOM 0 HG SER A 19 3.880 -2.235 -13.712 1.00 0.00 H new ATOM 240 N ALA A 20 1.497 -0.384 -11.018 1.00 0.00 N ATOM 241 CA ALA A 20 1.605 1.052 -10.797 1.00 0.00 C ATOM 242 C ALA A 20 2.005 1.358 -9.358 1.00 0.00 C ATOM 243 O ALA A 20 2.610 2.393 -9.078 1.00 0.00 O ATOM 244 CB ALA A 20 0.291 1.739 -11.139 1.00 0.00 C ATOM 0 H ALA A 20 0.695 -0.822 -10.564 1.00 0.00 H new ATOM 0 HA ALA A 20 2.386 1.437 -11.453 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.386 2.811 -10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.047 1.558 -12.186 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.503 1.341 -10.507 1.00 0.00 H new ATOM 250 N TRP A 21 1.664 0.452 -8.449 1.00 0.00 N ATOM 251 CA TRP A 21 1.987 0.625 -7.038 1.00 0.00 C ATOM 252 C TRP A 21 2.687 -0.611 -6.483 1.00 0.00 C ATOM 253 O TRP A 21 3.673 -0.503 -5.753 1.00 0.00 O ATOM 254 CB TRP A 21 0.718 0.912 -6.234 1.00 0.00 C ATOM 255 CG TRP A 21 -0.389 -0.062 -6.505 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.385 0.067 -7.430 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.613 -1.311 -5.842 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.215 -1.027 -7.383 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.762 -1.887 -6.417 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.047 -2.000 -4.821 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.264 -3.118 -6.003 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.453 -3.221 -4.410 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.599 -3.770 -5.001 1.00 0.00 C ATOM 0 H TRP A 21 1.164 -0.410 -8.664 1.00 0.00 H new ATOM 0 HA TRP A 21 2.665 1.474 -6.948 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.958 0.892 -5.171 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.371 1.919 -6.464 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.503 0.906 -8.100 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.035 -1.175 -7.971 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.932 -1.586 -4.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.147 -3.543 -6.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.048 -3.761 -3.620 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.964 -4.727 -4.659 1.00 0.00 H new ATOM 274 N TYR A 22 2.172 -1.784 -6.834 1.00 0.00 N ATOM 275 CA TYR A 22 2.747 -3.041 -6.369 1.00 0.00 C ATOM 276 C TYR A 22 4.138 -3.254 -6.957 1.00 0.00 C ATOM 277 O TYR A 22 4.293 -3.433 -8.165 1.00 0.00 O ATOM 278 CB TYR A 22 1.837 -4.212 -6.746 1.00 0.00 C ATOM 279 CG TYR A 22 2.225 -5.516 -6.087 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.295 -5.625 -4.704 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.522 -6.640 -6.848 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.650 -6.814 -4.097 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.876 -7.834 -6.250 1.00 0.00 C ATOM 284 CZ TYR A 22 2.939 -7.916 -4.875 1.00 0.00 C ATOM 285 OH TYR A 22 3.292 -9.103 -4.275 1.00 0.00 O ATOM 0 H TYR A 22 1.358 -1.891 -7.439 1.00 0.00 H new ATOM 0 HA TYR A 22 2.835 -2.992 -5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.811 -3.967 -6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.855 -4.342 -7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.068 -4.765 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.475 -6.579 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.701 -6.880 -3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.102 -8.699 -6.856 1.00 0.00 H new ATOM 0 HH TYR A 22 3.151 -9.035 -3.308 1.00 0.00 H new ATOM 295 N MET A 23 5.148 -3.233 -6.093 1.00 0.00 N ATOM 296 CA MET A 23 6.527 -3.426 -6.525 1.00 0.00 C ATOM 297 C MET A 23 6.941 -4.887 -6.387 1.00 0.00 C ATOM 298 O MET A 23 8.040 -5.271 -6.785 1.00 0.00 O ATOM 299 CB MET A 23 7.469 -2.538 -5.708 1.00 0.00 C ATOM 300 CG MET A 23 6.982 -1.105 -5.567 1.00 0.00 C ATOM 301 SD MET A 23 7.436 -0.075 -6.975 1.00 0.00 S ATOM 302 CE MET A 23 6.207 1.223 -6.855 1.00 0.00 C ATOM 0 H MET A 23 5.037 -3.084 -5.090 1.00 0.00 H new ATOM 0 HA MET A 23 6.594 -3.145 -7.576 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.593 -2.970 -4.715 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.452 -2.535 -6.179 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.898 -1.103 -5.455 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.397 -0.672 -4.657 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.680 1.315 -7.805 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.495 0.978 -6.067 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.697 2.168 -6.619 1.00 0.00 H new ATOM 312 N GLY A 24 6.053 -5.698 -5.821 1.00 0.00 N ATOM 313 CA GLY A 24 6.345 -7.109 -5.641 1.00 0.00 C ATOM 314 C GLY A 24 7.830 -7.379 -5.499 1.00 0.00 C ATOM 315 O GLY A 24 8.384 -7.359 -4.400 1.00 0.00 O ATOM 0 H GLY A 24 5.136 -5.404 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.826 -7.474 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.957 -7.669 -6.492 1.00 0.00 H new ATOM 319 N PRO A 25 8.498 -7.643 -6.632 1.00 0.00 N ATOM 320 CA PRO A 25 9.936 -7.925 -6.655 1.00 0.00 C ATOM 321 C PRO A 25 10.774 -6.693 -6.332 1.00 0.00 C ATOM 322 O PRO A 25 11.321 -6.049 -7.227 1.00 0.00 O ATOM 323 CB PRO A 25 10.185 -8.378 -8.096 1.00 0.00 C ATOM 324 CG PRO A 25 9.097 -7.740 -8.887 1.00 0.00 C ATOM 325 CD PRO A 25 7.901 -7.684 -7.977 1.00 0.00 C ATOM 0 HA PRO A 25 10.218 -8.665 -5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.167 -8.061 -8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.151 -9.464 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.386 -6.741 -9.213 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.877 -8.317 -9.785 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.289 -6.804 -8.172 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.258 -8.555 -8.105 1.00 0.00 H new ATOM 333 N VAL A 26 10.872 -6.370 -5.046 1.00 0.00 N ATOM 334 CA VAL A 26 11.645 -5.216 -4.604 1.00 0.00 C ATOM 335 C VAL A 26 12.187 -5.424 -3.194 1.00 0.00 C ATOM 336 O VAL A 26 11.446 -5.786 -2.280 1.00 0.00 O ATOM 337 CB VAL A 26 10.798 -3.929 -4.631 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.428 -2.857 -3.756 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.629 -3.433 -6.059 1.00 0.00 C ATOM 0 H VAL A 26 10.425 -6.892 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 26 12.478 -5.109 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 26 9.810 -4.156 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.816 -1.956 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.492 -3.217 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.429 -2.629 -4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.028 -2.523 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.608 -3.222 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.129 -4.198 -6.653 1.00 0.00 H new ATOM 349 N SER A 27 13.485 -5.194 -3.026 1.00 0.00 N ATOM 350 CA SER A 27 14.129 -5.359 -1.727 1.00 0.00 C ATOM 351 C SER A 27 13.832 -4.171 -0.818 1.00 0.00 C ATOM 352 O SER A 27 13.501 -3.083 -1.289 1.00 0.00 O ATOM 353 CB SER A 27 15.640 -5.518 -1.900 1.00 0.00 C ATOM 354 OG SER A 27 15.963 -6.798 -2.418 1.00 0.00 O ATOM 0 H SER A 27 14.112 -4.893 -3.772 1.00 0.00 H new ATOM 0 HA SER A 27 13.727 -6.259 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.016 -4.745 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.136 -5.375 -0.940 1.00 0.00 H new ATOM 0 HG SER A 27 16.935 -6.874 -2.521 1.00 0.00 H new ATOM 360 N ARG A 28 13.952 -4.388 0.487 1.00 0.00 N ATOM 361 CA ARG A 28 13.696 -3.336 1.464 1.00 0.00 C ATOM 362 C ARG A 28 14.593 -2.128 1.210 1.00 0.00 C ATOM 363 O ARG A 28 14.113 -1.001 1.097 1.00 0.00 O ATOM 364 CB ARG A 28 13.920 -3.863 2.883 1.00 0.00 C ATOM 365 CG ARG A 28 13.566 -2.859 3.968 1.00 0.00 C ATOM 366 CD ARG A 28 14.015 -3.338 5.339 1.00 0.00 C ATOM 367 NE ARG A 28 15.405 -2.983 5.615 1.00 0.00 N ATOM 368 CZ ARG A 28 16.437 -3.760 5.306 1.00 0.00 C ATOM 369 NH1 ARG A 28 16.237 -4.930 4.714 1.00 0.00 N ATOM 370 NH2 ARG A 28 17.673 -3.368 5.589 1.00 0.00 N ATOM 0 H ARG A 28 14.225 -5.283 0.893 1.00 0.00 H new ATOM 0 HA ARG A 28 12.657 -3.023 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.324 -4.764 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.965 -4.152 2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.035 -1.900 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.489 -2.693 3.974 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.371 -2.903 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.898 -4.420 5.401 1.00 0.00 H new ATOM 0 HE ARG A 28 15.593 -2.090 6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.289 -5.235 4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.031 -5.525 4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.831 -2.469 6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.465 -3.966 5.351 1.00 0.00 H new ATOM 384 N GLN A 29 15.896 -2.374 1.123 1.00 0.00 N ATOM 385 CA GLN A 29 16.860 -1.306 0.884 1.00 0.00 C ATOM 386 C GLN A 29 16.455 -0.468 -0.325 1.00 0.00 C ATOM 387 O GLN A 29 16.682 0.741 -0.357 1.00 0.00 O ATOM 388 CB GLN A 29 18.257 -1.889 0.670 1.00 0.00 C ATOM 389 CG GLN A 29 18.381 -2.727 -0.592 1.00 0.00 C ATOM 390 CD GLN A 29 19.779 -3.276 -0.794 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.707 -2.536 -1.125 1.00 0.00 O ATOM 392 NE2 GLN A 29 19.939 -4.579 -0.596 1.00 0.00 N ATOM 0 H GLN A 29 16.308 -3.302 1.214 1.00 0.00 H new ATOM 0 HA GLN A 29 16.874 -0.661 1.762 1.00 0.00 H new ATOM 0 HB2 GLN A 29 18.979 -1.074 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.521 -2.503 1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.673 -3.555 -0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 29 18.105 -2.121 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.143 -5.155 -0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 29 20.858 -5.004 -0.717 1.00 0.00 H new ATOM 401 N GLU A 30 15.856 -1.120 -1.317 1.00 0.00 N ATOM 402 CA GLU A 30 15.422 -0.434 -2.528 1.00 0.00 C ATOM 403 C GLU A 30 14.215 0.456 -2.246 1.00 0.00 C ATOM 404 O GLU A 30 14.294 1.679 -2.356 1.00 0.00 O ATOM 405 CB GLU A 30 15.077 -1.449 -3.620 1.00 0.00 C ATOM 406 CG GLU A 30 14.937 -0.834 -5.001 1.00 0.00 C ATOM 407 CD GLU A 30 15.325 -1.793 -6.110 1.00 0.00 C ATOM 408 OE1 GLU A 30 16.332 -2.512 -5.945 1.00 0.00 O ATOM 409 OE2 GLU A 30 14.622 -1.824 -7.142 1.00 0.00 O ATOM 0 H GLU A 30 15.661 -2.121 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 30 16.243 0.195 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.852 -2.215 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.144 -1.949 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.906 -0.512 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.561 0.058 -5.062 1.00 0.00 H new ATOM 416 N ALA A 31 13.099 -0.167 -1.884 1.00 0.00 N ATOM 417 CA ALA A 31 11.876 0.568 -1.585 1.00 0.00 C ATOM 418 C ALA A 31 12.178 1.839 -0.799 1.00 0.00 C ATOM 419 O ALA A 31 11.496 2.851 -0.954 1.00 0.00 O ATOM 420 CB ALA A 31 10.906 -0.314 -0.813 1.00 0.00 C ATOM 0 H ALA A 31 13.016 -1.179 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 31 11.415 0.857 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.997 0.247 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.657 -1.191 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.368 -0.631 0.122 1.00 0.00 H new ATOM 426 N GLN A 32 13.203 1.778 0.046 1.00 0.00 N ATOM 427 CA GLN A 32 13.593 2.925 0.857 1.00 0.00 C ATOM 428 C GLN A 32 14.133 4.052 -0.017 1.00 0.00 C ATOM 429 O GLN A 32 13.741 5.210 0.129 1.00 0.00 O ATOM 430 CB GLN A 32 14.646 2.513 1.887 1.00 0.00 C ATOM 431 CG GLN A 32 14.054 1.968 3.177 1.00 0.00 C ATOM 432 CD GLN A 32 15.037 2.002 4.331 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.357 0.970 4.920 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.523 3.194 4.659 1.00 0.00 N ATOM 0 H GLN A 32 13.778 0.947 0.186 1.00 0.00 H new ATOM 0 HA GLN A 32 12.707 3.287 1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.296 1.757 1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.272 3.375 2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.170 2.549 3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.724 0.942 3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.230 4.024 4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.189 3.279 5.427 1.00 0.00 H new ATOM 443 N THR A 33 15.038 3.705 -0.929 1.00 0.00 N ATOM 444 CA THR A 33 15.634 4.687 -1.826 1.00 0.00 C ATOM 445 C THR A 33 14.577 5.331 -2.716 1.00 0.00 C ATOM 446 O THR A 33 14.754 6.451 -3.195 1.00 0.00 O ATOM 447 CB THR A 33 16.719 4.050 -2.715 1.00 0.00 C ATOM 448 OG1 THR A 33 17.474 5.073 -3.374 1.00 0.00 O ATOM 449 CG2 THR A 33 16.096 3.126 -3.750 1.00 0.00 C ATOM 0 H THR A 33 15.373 2.751 -1.065 1.00 0.00 H new ATOM 0 HA THR A 33 16.092 5.452 -1.199 1.00 0.00 H new ATOM 0 HB THR A 33 17.381 3.463 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.163 4.661 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.881 2.688 -4.366 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.546 2.332 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.414 3.695 -4.382 1.00 0.00 H new ATOM 457 N ARG A 34 13.477 4.617 -2.933 1.00 0.00 N ATOM 458 CA ARG A 34 12.392 5.120 -3.766 1.00 0.00 C ATOM 459 C ARG A 34 11.501 6.077 -2.980 1.00 0.00 C ATOM 460 O ARG A 34 10.932 7.015 -3.541 1.00 0.00 O ATOM 461 CB ARG A 34 11.557 3.958 -4.308 1.00 0.00 C ATOM 462 CG ARG A 34 12.367 2.703 -4.586 1.00 0.00 C ATOM 463 CD ARG A 34 11.691 1.821 -5.625 1.00 0.00 C ATOM 464 NE ARG A 34 12.117 2.150 -6.982 1.00 0.00 N ATOM 465 CZ ARG A 34 11.551 1.645 -8.073 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.540 0.793 -7.965 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.995 1.992 -9.274 1.00 0.00 N ATOM 0 H ARG A 34 13.314 3.689 -2.543 1.00 0.00 H new ATOM 0 HA ARG A 34 12.832 5.664 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.771 3.721 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.065 4.274 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.362 2.981 -4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.499 2.142 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.919 0.776 -5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.610 1.933 -5.547 1.00 0.00 H new ATOM 0 HE ARG A 34 12.892 2.803 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.196 0.524 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.107 0.407 -8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.772 2.647 -9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.560 1.604 -10.111 1.00 0.00 H new ATOM 481 N LEU A 35 11.384 5.835 -1.679 1.00 0.00 N ATOM 482 CA LEU A 35 10.563 6.675 -0.815 1.00 0.00 C ATOM 483 C LEU A 35 11.430 7.478 0.149 1.00 0.00 C ATOM 484 O LEU A 35 10.926 8.088 1.091 1.00 0.00 O ATOM 485 CB LEU A 35 9.570 5.816 -0.030 1.00 0.00 C ATOM 486 CG LEU A 35 8.746 4.823 -0.851 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.004 3.861 0.064 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.771 5.560 -1.757 1.00 0.00 C ATOM 0 H LEU A 35 11.848 5.063 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 35 10.012 7.373 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.121 5.260 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.884 6.479 0.497 1.00 0.00 H new ATOM 0 HG LEU A 35 9.426 4.245 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.423 3.162 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.722 3.309 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.334 4.422 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.193 4.838 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.096 6.164 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.325 6.208 -2.437 1.00 0.00 H new ATOM 500 N GLN A 36 12.737 7.475 -0.097 1.00 0.00 N ATOM 501 CA GLN A 36 13.674 8.205 0.749 1.00 0.00 C ATOM 502 C GLN A 36 13.825 9.647 0.275 1.00 0.00 C ATOM 503 O GLN A 36 14.351 9.903 -0.807 1.00 0.00 O ATOM 504 CB GLN A 36 15.037 7.511 0.753 1.00 0.00 C ATOM 505 CG GLN A 36 16.153 8.364 1.335 1.00 0.00 C ATOM 506 CD GLN A 36 16.123 8.410 2.850 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.021 7.895 3.516 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.086 9.029 3.403 1.00 0.00 N ATOM 0 H GLN A 36 13.170 6.976 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 36 13.277 8.215 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.963 6.586 1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.298 7.234 -0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.115 7.971 1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.072 9.378 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.364 9.442 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.011 9.091 4.418 1.00 0.00 H new ATOM 517 N GLY A 37 13.360 10.586 1.094 1.00 0.00 N ATOM 518 CA GLY A 37 13.453 11.990 0.740 1.00 0.00 C ATOM 519 C GLY A 37 12.326 12.434 -0.171 1.00 0.00 C ATOM 520 O GLY A 37 11.956 13.608 -0.183 1.00 0.00 O ATOM 0 H GLY A 37 12.921 10.399 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.440 12.592 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.408 12.175 0.248 1.00 0.00 H new ATOM 524 N GLN A 38 11.781 11.495 -0.937 1.00 0.00 N ATOM 525 CA GLN A 38 10.691 11.797 -1.857 1.00 0.00 C ATOM 526 C GLN A 38 9.598 12.600 -1.161 1.00 0.00 C ATOM 527 O GLN A 38 9.542 12.656 0.068 1.00 0.00 O ATOM 528 CB GLN A 38 10.106 10.505 -2.430 1.00 0.00 C ATOM 529 CG GLN A 38 10.978 9.862 -3.496 1.00 0.00 C ATOM 530 CD GLN A 38 11.492 10.863 -4.512 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.426 11.618 -4.239 1.00 0.00 O ATOM 532 NE2 GLN A 38 10.884 10.874 -5.692 1.00 0.00 N ATOM 0 H GLN A 38 12.076 10.519 -0.939 1.00 0.00 H new ATOM 0 HA GLN A 38 11.093 12.398 -2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.955 9.793 -1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.125 10.717 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.824 9.368 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.406 9.089 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.114 10.231 -5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.187 11.526 -6.416 1.00 0.00 H new ATOM 541 N ARG A 39 8.730 13.221 -1.954 1.00 0.00 N ATOM 542 CA ARG A 39 7.639 14.022 -1.413 1.00 0.00 C ATOM 543 C ARG A 39 6.802 13.208 -0.431 1.00 0.00 C ATOM 544 O ARG A 39 6.703 11.986 -0.547 1.00 0.00 O ATOM 545 CB ARG A 39 6.752 14.544 -2.545 1.00 0.00 C ATOM 546 CG ARG A 39 5.860 13.479 -3.161 1.00 0.00 C ATOM 547 CD ARG A 39 6.546 12.781 -4.324 1.00 0.00 C ATOM 548 NE ARG A 39 6.866 13.708 -5.407 1.00 0.00 N ATOM 549 CZ ARG A 39 5.959 14.209 -6.237 1.00 0.00 C ATOM 550 NH1 ARG A 39 4.682 13.874 -6.110 1.00 0.00 N ATOM 551 NH2 ARG A 39 6.328 15.047 -7.198 1.00 0.00 N ATOM 0 H ARG A 39 8.762 13.184 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 39 8.072 14.868 -0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.128 15.352 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.385 14.971 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.591 12.744 -2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.932 13.935 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.461 12.305 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.900 11.989 -4.704 1.00 0.00 H new ATOM 0 HE ARG A 39 7.840 13.985 -5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.395 13.230 -5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.987 14.261 -6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.309 15.307 -7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.630 15.431 -7.835 1.00 0.00 H new ATOM 565 N HIS A 40 6.200 13.894 0.536 1.00 0.00 N ATOM 566 CA HIS A 40 5.371 13.235 1.539 1.00 0.00 C ATOM 567 C HIS A 40 4.089 12.693 0.913 1.00 0.00 C ATOM 568 O HIS A 40 3.350 13.425 0.257 1.00 0.00 O ATOM 569 CB HIS A 40 5.030 14.208 2.668 1.00 0.00 C ATOM 570 CG HIS A 40 6.149 14.410 3.643 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.229 15.502 4.481 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.236 13.650 3.913 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.319 15.407 5.222 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.947 14.292 4.897 1.00 0.00 N ATOM 0 H HIS A 40 6.271 14.906 0.646 1.00 0.00 H new ATOM 0 HA HIS A 40 5.936 12.398 1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.757 15.171 2.237 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.155 13.839 3.203 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.552 16.264 4.522 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.496 12.713 3.442 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.641 16.120 5.967 1.00 0.00 H new ATOM 583 N GLY A 41 3.833 11.405 1.121 1.00 0.00 N ATOM 584 CA GLY A 41 2.641 10.788 0.571 1.00 0.00 C ATOM 585 C GLY A 41 2.952 9.539 -0.230 1.00 0.00 C ATOM 586 O GLY A 41 2.207 8.561 -0.182 1.00 0.00 O ATOM 0 H GLY A 41 4.430 10.778 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.959 10.535 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.125 11.506 -0.067 1.00 0.00 H new ATOM 590 N MET A 42 4.056 9.572 -0.970 1.00 0.00 N ATOM 591 CA MET A 42 4.463 8.434 -1.786 1.00 0.00 C ATOM 592 C MET A 42 4.257 7.124 -1.032 1.00 0.00 C ATOM 593 O MET A 42 4.267 7.096 0.199 1.00 0.00 O ATOM 594 CB MET A 42 5.930 8.573 -2.198 1.00 0.00 C ATOM 595 CG MET A 42 6.288 7.784 -3.446 1.00 0.00 C ATOM 596 SD MET A 42 7.925 8.194 -4.082 1.00 0.00 S ATOM 597 CE MET A 42 7.566 9.690 -5.000 1.00 0.00 C ATOM 0 H MET A 42 4.684 10.374 -1.021 1.00 0.00 H new ATOM 0 HA MET A 42 3.841 8.420 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.153 9.626 -2.368 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.563 8.242 -1.375 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.246 6.718 -3.222 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.544 7.976 -4.219 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.604 9.479 -6.069 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.571 10.049 -4.736 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.304 10.454 -4.754 1.00 0.00 H new ATOM 607 N PHE A 43 4.070 6.040 -1.778 1.00 0.00 N ATOM 608 CA PHE A 43 3.860 4.727 -1.180 1.00 0.00 C ATOM 609 C PHE A 43 4.145 3.618 -2.189 1.00 0.00 C ATOM 610 O PHE A 43 4.310 3.875 -3.382 1.00 0.00 O ATOM 611 CB PHE A 43 2.426 4.603 -0.661 1.00 0.00 C ATOM 612 CG PHE A 43 1.440 4.190 -1.716 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.218 2.850 -1.990 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.734 5.142 -2.434 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.312 2.468 -2.961 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.174 4.766 -3.406 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.386 3.427 -3.669 1.00 0.00 C ATOM 0 H PHE A 43 4.060 6.045 -2.798 1.00 0.00 H new ATOM 0 HA PHE A 43 4.552 4.621 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.404 3.876 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.116 5.560 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.759 2.096 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.895 6.191 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.150 1.420 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.717 5.518 -3.959 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.096 3.130 -4.427 1.00 0.00 H new ATOM 627 N LEU A 44 4.203 2.383 -1.701 1.00 0.00 N ATOM 628 CA LEU A 44 4.469 1.234 -2.558 1.00 0.00 C ATOM 629 C LEU A 44 4.247 -0.072 -1.802 1.00 0.00 C ATOM 630 O LEU A 44 4.496 -0.156 -0.600 1.00 0.00 O ATOM 631 CB LEU A 44 5.902 1.290 -3.091 1.00 0.00 C ATOM 632 CG LEU A 44 6.989 0.775 -2.148 1.00 0.00 C ATOM 633 CD1 LEU A 44 6.963 -0.744 -2.084 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.358 1.268 -2.592 1.00 0.00 C ATOM 0 H LEU A 44 4.069 2.153 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 44 3.774 1.270 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.948 0.713 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.132 2.324 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 44 6.791 1.164 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.744 -1.093 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.991 -1.076 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.135 -1.153 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.119 0.892 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.565 0.908 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.372 2.358 -2.586 1.00 0.00 H new ATOM 646 N VAL A 45 3.778 -1.091 -2.516 1.00 0.00 N ATOM 647 CA VAL A 45 3.525 -2.394 -1.914 1.00 0.00 C ATOM 648 C VAL A 45 4.358 -3.481 -2.585 1.00 0.00 C ATOM 649 O VAL A 45 4.116 -3.839 -3.738 1.00 0.00 O ATOM 650 CB VAL A 45 2.035 -2.775 -2.004 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.754 -4.030 -1.191 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.161 -1.621 -1.539 1.00 0.00 C ATOM 0 H VAL A 45 3.566 -1.039 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 45 3.810 -2.318 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 45 1.794 -2.985 -3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.697 -4.283 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.353 -4.855 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.011 -3.852 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.112 -1.908 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.402 -1.376 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.342 -0.750 -2.169 1.00 0.00 H new ATOM 662 N ARG A 46 5.339 -4.002 -1.856 1.00 0.00 N ATOM 663 CA ARG A 46 6.209 -5.047 -2.380 1.00 0.00 C ATOM 664 C ARG A 46 5.980 -6.365 -1.645 1.00 0.00 C ATOM 665 O ARG A 46 5.129 -6.454 -0.760 1.00 0.00 O ATOM 666 CB ARG A 46 7.675 -4.630 -2.257 1.00 0.00 C ATOM 667 CG ARG A 46 8.103 -4.322 -0.832 1.00 0.00 C ATOM 668 CD ARG A 46 9.440 -3.599 -0.795 1.00 0.00 C ATOM 669 NE ARG A 46 10.148 -3.819 0.463 1.00 0.00 N ATOM 670 CZ ARG A 46 10.633 -4.998 0.837 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.489 -6.057 0.052 1.00 0.00 N ATOM 672 NH2 ARG A 46 11.265 -5.119 1.997 1.00 0.00 N ATOM 0 H ARG A 46 5.551 -3.717 -0.900 1.00 0.00 H new ATOM 0 HA ARG A 46 5.967 -5.191 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.305 -5.427 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.847 -3.750 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.343 -3.709 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.174 -5.250 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.060 -3.941 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.278 -2.531 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 46 10.277 -3.024 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.005 -5.968 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.862 -6.961 0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.379 -4.306 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.637 -6.025 2.283 1.00 0.00 H new ATOM 686 N ASP A 47 6.745 -7.385 -2.018 1.00 0.00 N ATOM 687 CA ASP A 47 6.627 -8.698 -1.394 1.00 0.00 C ATOM 688 C ASP A 47 7.495 -8.785 -0.143 1.00 0.00 C ATOM 689 O ASP A 47 8.720 -8.689 -0.217 1.00 0.00 O ATOM 690 CB ASP A 47 7.025 -9.794 -2.384 1.00 0.00 C ATOM 691 CG ASP A 47 7.246 -11.132 -1.706 1.00 0.00 C ATOM 692 OD1 ASP A 47 6.264 -11.706 -1.191 1.00 0.00 O ATOM 693 OD2 ASP A 47 8.402 -11.606 -1.691 1.00 0.00 O ATOM 0 H ASP A 47 7.454 -7.328 -2.749 1.00 0.00 H new ATOM 0 HA ASP A 47 5.587 -8.843 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.247 -9.897 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.937 -9.498 -2.903 1.00 0.00 H new ATOM 698 N SER A 48 6.852 -8.966 1.006 1.00 0.00 N ATOM 699 CA SER A 48 7.565 -9.061 2.275 1.00 0.00 C ATOM 700 C SER A 48 8.561 -10.216 2.253 1.00 0.00 C ATOM 701 O SER A 48 8.386 -11.186 1.516 1.00 0.00 O ATOM 702 CB SER A 48 6.576 -9.247 3.427 1.00 0.00 C ATOM 703 OG SER A 48 7.197 -9.002 4.677 1.00 0.00 O ATOM 0 H SER A 48 5.838 -9.050 1.085 1.00 0.00 H new ATOM 0 HA SER A 48 8.116 -8.132 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.731 -8.570 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.177 -10.261 3.408 1.00 0.00 H new ATOM 0 HG SER A 48 6.544 -9.126 5.397 1.00 0.00 H new ATOM 709 N SER A 49 9.606 -10.103 3.066 1.00 0.00 N ATOM 710 CA SER A 49 10.633 -11.136 3.139 1.00 0.00 C ATOM 711 C SER A 49 10.645 -11.795 4.515 1.00 0.00 C ATOM 712 O SER A 49 10.640 -13.021 4.630 1.00 0.00 O ATOM 713 CB SER A 49 12.008 -10.539 2.834 1.00 0.00 C ATOM 714 OG SER A 49 12.984 -11.556 2.684 1.00 0.00 O ATOM 0 H SER A 49 9.764 -9.307 3.683 1.00 0.00 H new ATOM 0 HA SER A 49 10.402 -11.897 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.955 -9.944 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.302 -9.865 3.638 1.00 0.00 H new ATOM 0 HG SER A 49 13.854 -11.149 2.488 1.00 0.00 H new ATOM 720 N THR A 50 10.660 -10.971 5.558 1.00 0.00 N ATOM 721 CA THR A 50 10.674 -11.472 6.927 1.00 0.00 C ATOM 722 C THR A 50 9.433 -12.306 7.220 1.00 0.00 C ATOM 723 O THR A 50 9.531 -13.431 7.713 1.00 0.00 O ATOM 724 CB THR A 50 10.757 -10.320 7.946 1.00 0.00 C ATOM 725 OG1 THR A 50 9.699 -9.383 7.713 1.00 0.00 O ATOM 726 CG2 THR A 50 12.099 -9.610 7.852 1.00 0.00 C ATOM 0 H THR A 50 10.663 -9.954 5.481 1.00 0.00 H new ATOM 0 HA THR A 50 11.561 -12.098 7.025 1.00 0.00 H new ATOM 0 HB THR A 50 10.656 -10.741 8.946 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.758 -8.655 8.366 1.00 0.00 H new ATOM 0 HG21 THR A 50 12.134 -8.800 8.581 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.901 -10.319 8.058 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.225 -9.201 6.849 1.00 0.00 H new ATOM 734 N CYS A 51 8.266 -11.750 6.913 1.00 0.00 N ATOM 735 CA CYS A 51 7.004 -12.444 7.143 1.00 0.00 C ATOM 736 C CYS A 51 6.632 -13.309 5.943 1.00 0.00 C ATOM 737 O CYS A 51 6.814 -12.923 4.788 1.00 0.00 O ATOM 738 CB CYS A 51 5.889 -11.437 7.427 1.00 0.00 C ATOM 739 SG CYS A 51 6.199 -10.376 8.857 1.00 0.00 S ATOM 0 H CYS A 51 8.168 -10.821 6.504 1.00 0.00 H new ATOM 0 HA CYS A 51 7.127 -13.093 8.010 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.748 -10.810 6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.957 -11.979 7.585 1.00 0.00 H new ATOM 0 HG CYS A 51 5.076 -9.871 9.274 1.00 0.00 H new ATOM 745 N PRO A 52 6.098 -14.508 6.221 1.00 0.00 N ATOM 746 CA PRO A 52 5.690 -15.453 5.177 1.00 0.00 C ATOM 747 C PRO A 52 4.462 -14.975 4.410 1.00 0.00 C ATOM 748 O PRO A 52 3.520 -14.444 4.996 1.00 0.00 O ATOM 749 CB PRO A 52 5.368 -16.729 5.960 1.00 0.00 C ATOM 750 CG PRO A 52 5.010 -16.254 7.326 1.00 0.00 C ATOM 751 CD PRO A 52 5.852 -15.033 7.574 1.00 0.00 C ATOM 0 HA PRO A 52 6.464 -15.584 4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.544 -17.277 5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.224 -17.404 5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.948 -16.016 7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.210 -17.024 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.332 -14.306 8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.783 -15.283 8.083 1.00 0.00 H new ATOM 759 N GLY A 53 4.480 -15.168 3.094 1.00 0.00 N ATOM 760 CA GLY A 53 3.362 -14.751 2.268 1.00 0.00 C ATOM 761 C GLY A 53 2.695 -13.493 2.788 1.00 0.00 C ATOM 762 O GLY A 53 1.468 -13.421 2.872 1.00 0.00 O ATOM 0 H GLY A 53 5.249 -15.605 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.711 -14.579 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.628 -15.555 2.222 1.00 0.00 H new ATOM 766 N ASP A 54 3.503 -12.498 3.139 1.00 0.00 N ATOM 767 CA ASP A 54 2.984 -11.237 3.654 1.00 0.00 C ATOM 768 C ASP A 54 3.469 -10.064 2.808 1.00 0.00 C ATOM 769 O ASP A 54 4.457 -10.175 2.083 1.00 0.00 O ATOM 770 CB ASP A 54 3.410 -11.042 5.110 1.00 0.00 C ATOM 771 CG ASP A 54 2.482 -11.743 6.083 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.667 -12.575 5.632 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.573 -11.461 7.296 1.00 0.00 O ATOM 0 H ASP A 54 4.520 -12.541 3.076 1.00 0.00 H new ATOM 0 HA ASP A 54 1.896 -11.273 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.424 -11.420 5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.434 -9.977 5.339 1.00 0.00 H new ATOM 778 N TYR A 55 2.766 -8.941 2.905 1.00 0.00 N ATOM 779 CA TYR A 55 3.123 -7.748 2.146 1.00 0.00 C ATOM 780 C TYR A 55 3.609 -6.638 3.073 1.00 0.00 C ATOM 781 O TYR A 55 3.439 -6.710 4.290 1.00 0.00 O ATOM 782 CB TYR A 55 1.924 -7.259 1.331 1.00 0.00 C ATOM 783 CG TYR A 55 1.520 -8.204 0.222 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.472 -8.767 -0.619 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.186 -8.534 0.015 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.107 -9.631 -1.634 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.188 -9.397 -0.996 1.00 0.00 C ATOM 788 CZ TYR A 55 0.777 -9.943 -1.818 1.00 0.00 C ATOM 789 OH TYR A 55 0.408 -10.803 -2.827 1.00 0.00 O ATOM 0 H TYR A 55 1.946 -8.832 3.502 1.00 0.00 H new ATOM 0 HA TYR A 55 3.934 -8.010 1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.076 -7.113 2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.161 -6.286 0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.515 -8.525 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.572 -8.108 0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.860 -10.059 -2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.229 -9.643 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.565 -10.918 -2.819 1.00 0.00 H new ATOM 799 N VAL A 56 4.214 -5.609 2.487 1.00 0.00 N ATOM 800 CA VAL A 56 4.723 -4.481 3.258 1.00 0.00 C ATOM 801 C VAL A 56 4.466 -3.162 2.538 1.00 0.00 C ATOM 802 O VAL A 56 5.115 -2.850 1.539 1.00 0.00 O ATOM 803 CB VAL A 56 6.234 -4.621 3.525 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.754 -3.416 4.293 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.524 -5.910 4.279 1.00 0.00 C ATOM 0 H VAL A 56 4.363 -5.534 1.481 1.00 0.00 H new ATOM 0 HA VAL A 56 4.191 -4.482 4.209 1.00 0.00 H new ATOM 0 HB VAL A 56 6.753 -4.663 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.823 -3.532 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.580 -2.511 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.232 -3.340 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.596 -5.993 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.995 -5.901 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.189 -6.761 3.687 1.00 0.00 H new ATOM 815 N LEU A 57 3.514 -2.391 3.052 1.00 0.00 N ATOM 816 CA LEU A 57 3.170 -1.103 2.459 1.00 0.00 C ATOM 817 C LEU A 57 4.055 0.007 3.017 1.00 0.00 C ATOM 818 O LEU A 57 3.876 0.445 4.153 1.00 0.00 O ATOM 819 CB LEU A 57 1.698 -0.777 2.719 1.00 0.00 C ATOM 820 CG LEU A 57 1.249 0.638 2.353 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.677 1.627 3.426 1.00 0.00 C ATOM 822 CD2 LEU A 57 1.812 1.042 0.998 1.00 0.00 C ATOM 0 H LEU A 57 2.967 -2.635 3.878 1.00 0.00 H new ATOM 0 HA LEU A 57 3.337 -1.169 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.086 -1.486 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.492 -0.940 3.777 1.00 0.00 H new ATOM 0 HG LEU A 57 0.161 0.649 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.349 2.629 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.226 1.348 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.763 1.614 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.482 2.052 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.901 1.014 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.456 0.349 0.235 1.00 0.00 H new ATOM 834 N SER A 58 5.008 0.459 2.208 1.00 0.00 N ATOM 835 CA SER A 58 5.922 1.518 2.621 1.00 0.00 C ATOM 836 C SER A 58 5.453 2.873 2.103 1.00 0.00 C ATOM 837 O SER A 58 4.823 2.964 1.049 1.00 0.00 O ATOM 838 CB SER A 58 7.336 1.226 2.114 1.00 0.00 C ATOM 839 OG SER A 58 7.832 0.014 2.655 1.00 0.00 O ATOM 0 H SER A 58 5.167 0.109 1.263 1.00 0.00 H new ATOM 0 HA SER A 58 5.934 1.550 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.330 1.167 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.000 2.047 2.385 1.00 0.00 H new ATOM 0 HG SER A 58 8.384 0.208 3.441 1.00 0.00 H new ATOM 845 N VAL A 59 5.765 3.927 2.851 1.00 0.00 N ATOM 846 CA VAL A 59 5.377 5.279 2.468 1.00 0.00 C ATOM 847 C VAL A 59 6.452 6.289 2.853 1.00 0.00 C ATOM 848 O VAL A 59 7.274 6.032 3.733 1.00 0.00 O ATOM 849 CB VAL A 59 4.045 5.688 3.124 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.095 4.502 3.187 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.289 6.261 4.512 1.00 0.00 C ATOM 0 H VAL A 59 6.286 3.870 3.726 1.00 0.00 H new ATOM 0 HA VAL A 59 5.255 5.278 1.385 1.00 0.00 H new ATOM 0 HB VAL A 59 3.581 6.462 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.159 4.810 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.896 4.141 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.548 3.704 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.337 6.545 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.775 5.510 5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.930 7.139 4.436 1.00 0.00 H new ATOM 861 N SER A 60 6.440 7.440 2.189 1.00 0.00 N ATOM 862 CA SER A 60 7.417 8.489 2.459 1.00 0.00 C ATOM 863 C SER A 60 6.825 9.560 3.370 1.00 0.00 C ATOM 864 O SER A 60 6.019 10.383 2.935 1.00 0.00 O ATOM 865 CB SER A 60 7.893 9.122 1.150 1.00 0.00 C ATOM 866 OG SER A 60 9.060 9.898 1.354 1.00 0.00 O ATOM 0 H SER A 60 5.765 7.670 1.460 1.00 0.00 H new ATOM 0 HA SER A 60 8.269 8.036 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.095 8.341 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.103 9.749 0.737 1.00 0.00 H new ATOM 0 HG SER A 60 9.850 9.321 1.297 1.00 0.00 H new ATOM 872 N GLU A 61 7.230 9.543 4.635 1.00 0.00 N ATOM 873 CA GLU A 61 6.739 10.512 5.608 1.00 0.00 C ATOM 874 C GLU A 61 7.708 10.646 6.780 1.00 0.00 C ATOM 875 O GLU A 61 8.544 9.774 7.009 1.00 0.00 O ATOM 876 CB GLU A 61 5.357 10.100 6.119 1.00 0.00 C ATOM 877 CG GLU A 61 4.667 11.175 6.942 1.00 0.00 C ATOM 878 CD GLU A 61 4.856 12.564 6.363 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.688 12.722 5.136 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.172 13.491 7.137 1.00 0.00 O ATOM 0 H GLU A 61 7.897 8.869 5.011 1.00 0.00 H new ATOM 0 HA GLU A 61 6.661 11.479 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.726 9.845 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.456 9.199 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.602 10.953 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.056 11.154 7.960 1.00 0.00 H new ATOM 887 N ASN A 62 7.587 11.745 7.517 1.00 0.00 N ATOM 888 CA ASN A 62 8.453 11.994 8.664 1.00 0.00 C ATOM 889 C ASN A 62 9.922 11.961 8.255 1.00 0.00 C ATOM 890 O ASN A 62 10.791 11.606 9.052 1.00 0.00 O ATOM 891 CB ASN A 62 8.193 10.959 9.760 1.00 0.00 C ATOM 892 CG ASN A 62 7.079 11.378 10.700 1.00 0.00 C ATOM 893 OD1 ASN A 62 6.877 12.567 10.949 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.351 10.401 11.228 1.00 0.00 N ATOM 0 H ASN A 62 6.899 12.477 7.341 1.00 0.00 H new ATOM 0 HA ASN A 62 8.225 12.987 9.050 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.937 10.004 9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.107 10.802 10.332 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.588 10.622 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.554 9.429 10.993 1.00 0.00 H new ATOM 901 N SER A 63 10.192 12.332 7.008 1.00 0.00 N ATOM 902 CA SER A 63 11.556 12.342 6.491 1.00 0.00 C ATOM 903 C SER A 63 12.148 10.936 6.495 1.00 0.00 C ATOM 904 O SER A 63 13.366 10.764 6.546 1.00 0.00 O ATOM 905 CB SER A 63 12.432 13.279 7.324 1.00 0.00 C ATOM 906 OG SER A 63 12.371 14.606 6.831 1.00 0.00 O ATOM 0 H SER A 63 9.484 12.630 6.336 1.00 0.00 H new ATOM 0 HA SER A 63 11.527 12.702 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.106 13.259 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.464 12.928 7.307 1.00 0.00 H new ATOM 0 HG SER A 63 12.938 15.186 7.381 1.00 0.00 H new ATOM 912 N ARG A 64 11.277 9.934 6.441 1.00 0.00 N ATOM 913 CA ARG A 64 11.712 8.542 6.439 1.00 0.00 C ATOM 914 C ARG A 64 10.698 7.656 5.721 1.00 0.00 C ATOM 915 O ARG A 64 9.716 8.145 5.162 1.00 0.00 O ATOM 916 CB ARG A 64 11.913 8.047 7.873 1.00 0.00 C ATOM 917 CG ARG A 64 10.740 8.347 8.791 1.00 0.00 C ATOM 918 CD ARG A 64 9.733 7.208 8.798 1.00 0.00 C ATOM 919 NE ARG A 64 10.066 6.188 9.789 1.00 0.00 N ATOM 920 CZ ARG A 64 9.800 6.307 11.085 1.00 0.00 C ATOM 921 NH1 ARG A 64 9.199 7.396 11.544 1.00 0.00 N ATOM 922 NH2 ARG A 64 10.135 5.336 11.924 1.00 0.00 N ATOM 0 H ARG A 64 10.266 10.060 6.398 1.00 0.00 H new ATOM 0 HA ARG A 64 12.661 8.484 5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.084 6.971 7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.812 8.506 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.104 8.519 9.804 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.250 9.266 8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.739 7.604 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.694 6.753 7.808 1.00 0.00 H new ATOM 0 HE ARG A 64 10.528 5.337 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.940 8.145 10.902 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.996 7.485 12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.597 4.497 11.574 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.930 5.428 12.919 1.00 0.00 H new ATOM 936 N VAL A 65 10.943 6.350 5.740 1.00 0.00 N ATOM 937 CA VAL A 65 10.052 5.395 5.092 1.00 0.00 C ATOM 938 C VAL A 65 9.318 4.542 6.120 1.00 0.00 C ATOM 939 O VAL A 65 9.926 3.725 6.811 1.00 0.00 O ATOM 940 CB VAL A 65 10.824 4.471 4.131 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.863 3.567 3.373 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.669 5.290 3.168 1.00 0.00 C ATOM 0 H VAL A 65 11.752 5.929 6.197 1.00 0.00 H new ATOM 0 HA VAL A 65 9.326 5.975 4.522 1.00 0.00 H new ATOM 0 HB VAL A 65 11.492 3.841 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.426 2.921 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.305 2.954 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.169 4.177 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.207 4.621 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.023 5.946 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.383 5.891 3.731 1.00 0.00 H new ATOM 952 N SER A 66 8.007 4.739 6.216 1.00 0.00 N ATOM 953 CA SER A 66 7.189 3.990 7.163 1.00 0.00 C ATOM 954 C SER A 66 6.787 2.637 6.583 1.00 0.00 C ATOM 955 O SER A 66 5.869 2.547 5.768 1.00 0.00 O ATOM 956 CB SER A 66 5.940 4.790 7.535 1.00 0.00 C ATOM 957 OG SER A 66 6.258 5.855 8.414 1.00 0.00 O ATOM 0 H SER A 66 7.489 5.411 5.650 1.00 0.00 H new ATOM 0 HA SER A 66 7.782 3.819 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.476 5.186 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.210 4.132 8.006 1.00 0.00 H new ATOM 0 HG SER A 66 5.442 6.352 8.635 1.00 0.00 H new ATOM 963 N HIS A 67 7.482 1.587 7.010 1.00 0.00 N ATOM 964 CA HIS A 67 7.198 0.238 6.534 1.00 0.00 C ATOM 965 C HIS A 67 6.033 -0.376 7.305 1.00 0.00 C ATOM 966 O HIS A 67 6.203 -0.860 8.424 1.00 0.00 O ATOM 967 CB HIS A 67 8.438 -0.645 6.672 1.00 0.00 C ATOM 968 CG HIS A 67 9.580 -0.214 5.804 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.620 -0.439 4.445 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.728 0.435 6.110 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.743 0.051 3.952 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.434 0.587 4.942 1.00 0.00 N ATOM 0 H HIS A 67 8.245 1.645 7.684 1.00 0.00 H new ATOM 0 HA HIS A 67 6.921 0.301 5.482 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.762 -0.642 7.713 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.172 -1.672 6.424 1.00 0.00 H new ATOM 0 HD2 HIS A 67 11.032 0.771 7.090 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.045 0.019 2.916 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.344 1.040 4.853 1.00 0.00 H new ATOM 981 N TYR A 68 4.851 -0.351 6.699 1.00 0.00 N ATOM 982 CA TYR A 68 3.658 -0.903 7.330 1.00 0.00 C ATOM 983 C TYR A 68 3.387 -2.321 6.838 1.00 0.00 C ATOM 984 O TYR A 68 2.899 -2.522 5.726 1.00 0.00 O ATOM 985 CB TYR A 68 2.447 -0.013 7.044 1.00 0.00 C ATOM 986 CG TYR A 68 2.547 1.363 7.664 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.766 1.519 9.027 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.423 2.507 6.885 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.858 2.774 9.597 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.515 3.766 7.446 1.00 0.00 C ATOM 991 CZ TYR A 68 2.732 3.895 8.802 1.00 0.00 C ATOM 992 OH TYR A 68 2.824 5.147 9.366 1.00 0.00 O ATOM 0 H TYR A 68 4.694 0.045 5.772 1.00 0.00 H new ATOM 0 HA TYR A 68 3.830 -0.938 8.406 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.330 0.091 5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.549 -0.506 7.416 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.866 0.644 9.652 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.252 2.410 5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.028 2.877 10.659 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.418 4.645 6.826 1.00 0.00 H new ATOM 0 HH TYR A 68 2.714 5.828 8.670 1.00 0.00 H new ATOM 1002 N ILE A 69 3.708 -3.302 7.676 1.00 0.00 N ATOM 1003 CA ILE A 69 3.499 -4.702 7.328 1.00 0.00 C ATOM 1004 C ILE A 69 2.013 -5.042 7.286 1.00 0.00 C ATOM 1005 O ILE A 69 1.234 -4.569 8.115 1.00 0.00 O ATOM 1006 CB ILE A 69 4.201 -5.641 8.327 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.714 -5.421 8.290 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.863 -7.092 8.017 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.459 -6.161 9.379 1.00 0.00 C ATOM 0 H ILE A 69 4.113 -3.153 8.600 1.00 0.00 H new ATOM 0 HA ILE A 69 3.931 -4.849 6.338 1.00 0.00 H new ATOM 0 HB ILE A 69 3.844 -5.412 9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.096 -5.739 7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.920 -4.354 8.380 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.366 -7.743 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.785 -7.238 8.090 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.195 -7.335 7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.527 -5.959 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.105 -5.826 10.354 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.283 -7.232 9.277 1.00 0.00 H new ATOM 1021 N ILE A 70 1.627 -5.864 6.317 1.00 0.00 N ATOM 1022 CA ILE A 70 0.235 -6.270 6.169 1.00 0.00 C ATOM 1023 C ILE A 70 0.061 -7.756 6.460 1.00 0.00 C ATOM 1024 O ILE A 70 0.557 -8.606 5.721 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.291 -5.971 4.753 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.342 -4.461 4.512 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.667 -6.591 4.557 1.00 0.00 C ATOM 1028 CD1 ILE A 70 0.940 -3.896 3.943 1.00 0.00 C ATOM 0 H ILE A 70 2.259 -6.262 5.622 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.340 -5.691 6.892 1.00 0.00 H new ATOM 0 HB ILE A 70 0.392 -6.413 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.162 -4.238 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.565 -3.958 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.025 -6.371 3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.602 -7.671 4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.361 -6.176 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.831 -2.821 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.761 -4.088 4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.154 -4.371 2.986 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.648 -8.063 7.542 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.888 -9.448 7.931 1.00 0.00 C ATOM 1042 C ASN A 71 -1.964 -10.080 7.053 1.00 0.00 C ATOM 1043 O ASN A 71 -3.036 -9.508 6.858 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.305 -9.522 9.401 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.207 -9.056 10.337 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.445 -8.256 11.242 1.00 0.00 O ATOM 1047 ND2 ASN A 71 1.005 -9.556 10.123 1.00 0.00 N ATOM 0 H ASN A 71 -1.066 -7.372 8.165 1.00 0.00 H new ATOM 0 HA ASN A 71 0.040 -10.004 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.194 -8.910 9.555 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.578 -10.548 9.647 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.784 -9.279 10.721 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.157 -10.217 9.361 1.00 0.00 H new ATOM 1054 N SER A 72 -1.671 -11.265 6.527 1.00 0.00 N ATOM 1055 CA SER A 72 -2.611 -11.974 5.668 1.00 0.00 C ATOM 1056 C SER A 72 -3.648 -12.724 6.499 1.00 0.00 C ATOM 1057 O SER A 72 -3.307 -13.597 7.298 1.00 0.00 O ATOM 1058 CB SER A 72 -1.866 -12.953 4.758 1.00 0.00 C ATOM 1059 OG SER A 72 -2.757 -13.887 4.175 1.00 0.00 O ATOM 0 H SER A 72 -0.789 -11.754 6.681 1.00 0.00 H new ATOM 0 HA SER A 72 -3.127 -11.238 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.347 -12.402 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.105 -13.481 5.333 1.00 0.00 H new ATOM 0 HG SER A 72 -2.256 -14.500 3.597 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.915 -12.377 6.306 1.00 0.00 N ATOM 1066 CA LEU A 73 -6.004 -13.015 7.037 1.00 0.00 C ATOM 1067 C LEU A 73 -6.513 -14.245 6.291 1.00 0.00 C ATOM 1068 O LEU A 73 -6.467 -14.320 5.063 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.150 -12.025 7.253 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.753 -10.643 7.772 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.954 -9.709 7.775 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.154 -10.748 9.167 1.00 0.00 C ATOM 0 H LEU A 73 -5.214 -11.657 5.649 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.620 -13.333 8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.677 -11.898 6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.857 -12.466 7.956 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.997 -10.229 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.653 -8.730 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.339 -9.608 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.732 -10.119 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.877 -9.754 9.520 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.887 -11.183 9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.268 -11.382 9.136 1.00 0.00 H new ATOM 1084 N PRO A 74 -7.012 -15.233 7.049 1.00 0.00 N ATOM 1085 CA PRO A 74 -7.542 -16.476 6.482 1.00 0.00 C ATOM 1086 C PRO A 74 -8.851 -16.258 5.731 1.00 0.00 C ATOM 1087 O PRO A 74 -9.211 -17.040 4.852 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.771 -17.358 7.711 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.964 -16.399 8.835 1.00 0.00 C ATOM 1090 CD PRO A 74 -7.098 -15.211 8.519 1.00 0.00 C ATOM 0 HA PRO A 74 -6.863 -16.912 5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.644 -17.998 7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.919 -18.014 7.892 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.010 -16.107 8.923 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.677 -16.849 9.786 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.541 -14.283 8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.114 -15.297 8.980 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.559 -15.190 6.083 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.830 -14.870 5.442 1.00 0.00 C ATOM 1100 C ASN A 75 -10.604 -14.118 4.133 1.00 0.00 C ATOM 1101 O ASN A 75 -11.294 -13.142 3.840 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.702 -14.033 6.380 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.880 -13.163 7.311 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -10.133 -13.666 8.151 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.014 -11.850 7.167 1.00 0.00 N ATOM 0 H ASN A 75 -9.275 -14.531 6.808 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.343 -15.806 5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.365 -13.402 5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.335 -14.695 6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.486 -11.215 7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.645 -11.476 6.458 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.635 -14.581 3.351 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.318 -13.952 2.074 1.00 0.00 C ATOM 1114 C ARG A 76 -9.292 -12.432 2.208 1.00 0.00 C ATOM 1115 O ARG A 76 -9.817 -11.715 1.356 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.338 -14.364 1.012 1.00 0.00 C ATOM 1117 CG ARG A 76 -10.126 -15.771 0.477 1.00 0.00 C ATOM 1118 CD ARG A 76 -8.881 -15.855 -0.392 1.00 0.00 C ATOM 1119 NE ARG A 76 -9.060 -15.177 -1.673 1.00 0.00 N ATOM 1120 CZ ARG A 76 -8.786 -13.892 -1.868 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -8.321 -13.151 -0.872 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -8.975 -13.346 -3.063 1.00 0.00 N ATOM 0 H ARG A 76 -9.056 -15.389 3.579 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.328 -14.289 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.340 -14.293 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.292 -13.658 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.037 -16.469 1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.997 -16.076 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.038 -15.411 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.632 -16.901 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.415 -15.720 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.173 -13.567 0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.112 -12.165 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.331 -13.913 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.764 -12.359 -3.212 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.678 -11.949 3.283 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.585 -10.515 3.529 1.00 0.00 C ATOM 1138 C ARG A 77 -7.222 -10.150 4.109 1.00 0.00 C ATOM 1139 O ARG A 77 -6.488 -11.014 4.590 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.694 -10.067 4.483 1.00 0.00 C ATOM 1141 CG ARG A 77 -11.045 -9.895 3.809 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.943 -8.951 4.593 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.198 -8.684 3.896 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.193 -9.560 3.811 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.080 -10.753 4.378 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.304 -9.243 3.159 1.00 0.00 N ATOM 0 H ARG A 77 -8.238 -12.529 3.997 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.705 -10.000 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.788 -10.798 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.405 -9.123 4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.903 -9.509 2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.531 -10.866 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.156 -9.382 5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.418 -8.012 4.767 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.317 -7.775 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.228 -11.000 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.845 -11.424 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.395 -8.326 2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.067 -9.917 3.094 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.889 -8.864 4.061 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.613 -8.384 4.580 1.00 0.00 C ATOM 1162 C PHE A 78 -5.822 -7.515 5.816 1.00 0.00 C ATOM 1163 O PHE A 78 -6.875 -6.901 5.988 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.867 -7.592 3.505 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.513 -8.408 2.295 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.495 -8.811 1.404 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -3.199 -8.774 2.049 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -5.173 -9.563 0.289 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -2.871 -9.524 0.936 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.859 -9.920 0.056 1.00 0.00 C ATOM 0 H PHE A 78 -7.485 -8.136 3.668 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.015 -9.250 4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.482 -6.747 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.954 -7.181 3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.524 -8.535 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.423 -8.469 2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.947 -9.871 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.843 -9.800 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.605 -10.508 -0.813 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.810 -7.468 6.677 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.879 -6.674 7.898 1.00 0.00 C ATOM 1182 C LYS A 79 -3.615 -5.841 8.077 1.00 0.00 C ATOM 1183 O LYS A 79 -2.570 -6.359 8.471 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.080 -7.585 9.111 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.213 -6.830 10.422 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.023 -7.749 11.617 1.00 0.00 C ATOM 1187 CE LYS A 79 -4.981 -6.967 12.921 1.00 0.00 C ATOM 1188 NZ LYS A 79 -4.192 -7.675 13.967 1.00 0.00 N ATOM 0 H LYS A 79 -3.932 -7.971 6.551 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.729 -5.997 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.974 -8.189 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.238 -8.274 9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.475 -6.028 10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.196 -6.361 10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.836 -8.474 11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.098 -8.313 11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.546 -5.984 12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.997 -6.805 13.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.187 -7.110 14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.622 -8.603 14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.215 -7.807 13.635 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.718 -4.548 7.788 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.583 -3.643 7.920 1.00 0.00 C ATOM 1204 C ILE A 80 -2.593 -2.944 9.275 1.00 0.00 C ATOM 1205 O ILE A 80 -3.359 -2.007 9.497 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.577 -2.580 6.806 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.556 -1.485 7.121 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -3.967 -1.983 6.637 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.263 -0.577 5.948 1.00 0.00 C ATOM 0 H ILE A 80 -4.576 -4.104 7.461 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.683 -4.251 7.834 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.291 -3.058 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.925 -0.884 7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.627 -1.950 7.451 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.947 -1.233 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.672 -2.771 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.279 -1.517 7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.531 0.175 6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.864 -1.166 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.182 -0.084 5.631 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.734 -3.405 10.180 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.658 -2.811 11.502 1.00 0.00 C ATOM 1223 C GLY A 81 -2.806 -3.236 12.395 1.00 0.00 C ATOM 1224 O GLY A 81 -2.871 -4.387 12.828 1.00 0.00 O ATOM 0 H GLY A 81 -1.089 -4.179 10.021 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.715 -3.092 11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.656 -1.725 11.409 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.713 -2.307 12.673 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.865 -2.591 13.522 1.00 0.00 C ATOM 1230 C ASP A 82 -6.167 -2.413 12.748 1.00 0.00 C ATOM 1231 O ASP A 82 -7.218 -2.154 13.335 1.00 0.00 O ATOM 1232 CB ASP A 82 -4.858 -1.680 14.750 1.00 0.00 C ATOM 1233 CG ASP A 82 -5.767 -2.186 15.852 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -6.998 -2.017 15.730 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -5.248 -2.752 16.837 1.00 0.00 O ATOM 0 H ASP A 82 -3.673 -1.350 12.323 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.797 -3.628 13.849 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.840 -1.598 15.132 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.171 -0.678 14.457 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.090 -2.553 11.429 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.263 -2.406 10.575 1.00 0.00 C ATOM 1242 C GLN A 83 -7.373 -3.569 9.596 1.00 0.00 C ATOM 1243 O GLN A 83 -6.453 -4.377 9.472 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.199 -1.083 9.809 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.227 0.142 10.708 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.636 0.561 11.080 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.505 0.694 10.218 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -8.871 0.772 12.370 1.00 0.00 N ATOM 0 H GLN A 83 -5.228 -2.768 10.928 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.148 -2.407 11.212 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.289 -1.063 9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.038 -1.033 9.115 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.662 -0.066 11.617 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.727 0.969 10.204 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.122 0.650 13.051 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.801 1.056 12.679 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.504 -3.648 8.902 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.734 -4.714 7.934 1.00 0.00 C ATOM 1259 C GLU A 84 -9.481 -4.188 6.712 1.00 0.00 C ATOM 1260 O GLU A 84 -10.303 -3.278 6.818 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.525 -5.855 8.577 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.824 -6.487 9.768 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.724 -7.431 10.542 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.614 -8.045 9.918 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.538 -7.555 11.770 1.00 0.00 O ATOM 0 H GLU A 84 -9.275 -2.987 8.992 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.764 -5.091 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.496 -5.477 8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.713 -6.623 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.946 -7.031 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.469 -5.701 10.435 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.187 -4.767 5.552 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.829 -4.356 4.309 1.00 0.00 C ATOM 1274 C PHE A 85 -10.197 -5.570 3.460 1.00 0.00 C ATOM 1275 O PHE A 85 -9.796 -6.695 3.760 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.907 -3.427 3.517 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.572 -2.155 4.243 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.411 -1.055 4.164 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.418 -2.059 5.003 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.104 0.116 4.830 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.106 -0.890 5.672 1.00 0.00 C ATOM 1282 CZ PHE A 85 -7.951 0.199 5.586 1.00 0.00 C ATOM 0 H PHE A 85 -8.509 -5.522 5.447 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.744 -3.820 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.984 -3.957 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.382 -3.180 2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.315 -1.114 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.754 -2.908 5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.766 0.967 4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.203 -0.829 6.261 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.711 1.113 6.109 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.963 -5.333 2.401 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.386 -6.405 1.508 1.00 0.00 C ATOM 1294 C ASP A 86 -10.191 -6.997 0.766 1.00 0.00 C ATOM 1295 O ASP A 86 -10.162 -8.192 0.468 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.418 -5.886 0.506 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.772 -5.644 1.143 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.828 -4.927 2.163 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.777 -6.172 0.621 1.00 0.00 O ATOM 0 H ASP A 86 -11.304 -4.408 2.140 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.841 -7.190 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.056 -4.957 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.525 -6.605 -0.306 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.208 -6.153 0.471 1.00 0.00 N ATOM 1305 CA HIS A 87 -8.010 -6.593 -0.237 1.00 0.00 C ATOM 1306 C HIS A 87 -6.976 -5.473 -0.302 1.00 0.00 C ATOM 1307 O HIS A 87 -7.164 -4.405 0.281 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.368 -7.055 -1.650 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.467 -6.257 -2.281 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.279 -4.989 -2.790 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.771 -6.554 -2.486 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.421 -4.540 -3.279 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.343 -5.471 -3.107 1.00 0.00 N ATOM 0 H HIS A 87 -9.217 -5.162 0.711 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.579 -7.430 0.313 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.480 -6.995 -2.279 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.665 -8.103 -1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.269 -7.472 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.575 -3.576 -3.741 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.320 -5.397 -3.389 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.883 -5.725 -1.014 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.817 -4.739 -1.155 1.00 0.00 C ATOM 1324 C LEU A 88 -5.352 -3.441 -1.753 1.00 0.00 C ATOM 1325 O LEU A 88 -5.278 -2.372 -1.147 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.694 -5.294 -2.033 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.525 -5.946 -1.294 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.565 -6.592 -2.280 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.800 -4.921 -0.434 1.00 0.00 C ATOM 0 H LEU A 88 -5.712 -6.604 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.421 -4.524 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.122 -6.029 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.303 -4.481 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.921 -6.724 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.739 -7.051 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.091 -7.355 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.175 -5.833 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.971 -5.402 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.416 -4.121 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.493 -4.504 0.297 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.906 -3.535 -2.971 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.467 -2.380 -3.677 1.00 0.00 C ATOM 1343 C PRO A 89 -7.748 -1.868 -3.026 1.00 0.00 C ATOM 1344 O PRO A 89 -8.458 -1.041 -3.597 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.760 -2.926 -5.076 1.00 0.00 C ATOM 1346 CG PRO A 89 -6.946 -4.391 -4.879 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.029 -4.777 -3.753 1.00 0.00 C ATOM 0 HA PRO A 89 -5.786 -1.529 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.653 -2.467 -5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.938 -2.720 -5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.983 -4.623 -4.635 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.701 -4.941 -5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.446 -5.588 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.061 -5.117 -4.122 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.037 -2.365 -1.828 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.230 -1.957 -1.099 1.00 0.00 C ATOM 1357 C ALA A 90 -8.868 -1.116 0.121 1.00 0.00 C ATOM 1358 O ALA A 90 -9.693 -0.359 0.633 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.037 -3.177 -0.680 1.00 0.00 C ATOM 0 H ALA A 90 -7.460 -3.052 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.838 -1.343 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.926 -2.856 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.336 -3.737 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.428 -3.813 -0.037 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.630 -1.254 0.582 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.158 -0.508 1.743 1.00 0.00 C ATOM 1367 C LEU A 91 -6.517 0.810 1.319 1.00 0.00 C ATOM 1368 O LEU A 91 -6.718 1.844 1.958 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.153 -1.344 2.538 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.774 -1.519 1.902 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.855 -0.374 2.297 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.167 -2.855 2.304 1.00 0.00 C ATOM 0 H LEU A 91 -6.935 -1.876 0.169 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.018 -0.287 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.023 -0.885 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.583 -2.332 2.703 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.891 -1.507 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.878 -0.516 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.283 0.570 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.744 -0.354 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.186 -2.962 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.064 -2.896 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.816 -3.665 1.970 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.747 0.767 0.238 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.079 1.958 -0.274 1.00 0.00 C ATOM 1386 C LEU A 92 -6.093 3.038 -0.636 1.00 0.00 C ATOM 1387 O LEU A 92 -5.820 4.230 -0.498 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.232 1.606 -1.498 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.190 0.505 -1.299 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.785 -0.095 -2.637 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -1.972 1.050 -0.567 1.00 0.00 C ATOM 0 H LEU A 92 -5.570 -0.080 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.429 2.345 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.901 1.304 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.719 2.508 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.633 -0.283 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.043 -0.877 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.661 -0.522 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.360 0.683 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.241 0.253 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.528 1.856 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.274 1.432 0.408 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.264 2.612 -1.099 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.319 3.544 -1.480 1.00 0.00 C ATOM 1405 C GLU A 93 -8.980 4.151 -0.246 1.00 0.00 C ATOM 1406 O GLU A 93 -9.542 5.245 -0.304 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.369 2.837 -2.340 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.080 1.703 -1.621 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.450 1.413 -2.202 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -12.278 2.346 -2.264 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -11.696 0.253 -2.594 1.00 0.00 O ATOM 0 H GLU A 93 -7.506 1.628 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.866 4.348 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.108 3.567 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.888 2.443 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.468 0.803 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.183 1.955 -0.565 1.00 0.00 H new ATOM 1418 N PHE A 94 -8.909 3.432 0.870 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.502 3.898 2.118 1.00 0.00 C ATOM 1420 C PHE A 94 -8.563 4.859 2.841 1.00 0.00 C ATOM 1421 O PHE A 94 -9.004 5.720 3.603 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.832 2.710 3.025 1.00 0.00 C ATOM 1423 CG PHE A 94 -10.916 3.001 4.023 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.221 3.211 3.607 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.630 3.064 5.377 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.220 3.479 4.524 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.625 3.332 6.299 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.922 3.539 5.871 1.00 0.00 C ATOM 0 H PHE A 94 -8.447 2.525 0.935 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.423 4.430 1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.135 1.865 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.930 2.408 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.460 3.165 2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.618 2.902 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.233 3.641 4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.389 3.379 7.352 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.702 3.747 6.589 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.267 4.705 2.597 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.264 5.556 3.226 1.00 0.00 C ATOM 1440 C TYR A 95 -6.189 6.913 2.533 1.00 0.00 C ATOM 1441 O TYR A 95 -5.738 7.899 3.118 1.00 0.00 O ATOM 1442 CB TYR A 95 -4.894 4.877 3.192 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.610 4.025 4.408 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -4.669 4.564 5.687 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.282 2.681 4.278 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.410 3.789 6.801 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.022 1.898 5.386 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.087 2.457 6.646 1.00 0.00 C ATOM 1449 OH TYR A 95 -3.828 1.681 7.752 1.00 0.00 O ATOM 0 H TYR A 95 -6.886 3.998 1.968 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.558 5.714 4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.828 4.255 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.121 5.641 3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.922 5.607 5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.229 2.241 3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.460 4.224 7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.769 0.855 5.267 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.618 0.767 7.468 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.635 6.957 1.282 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.622 8.192 0.507 1.00 0.00 C ATOM 1461 C LYS A 96 -7.275 9.329 1.285 1.00 0.00 C ATOM 1462 O LYS A 96 -7.076 10.503 0.971 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.347 7.989 -0.825 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.529 7.225 -1.853 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.409 6.647 -2.948 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.618 7.642 -4.079 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.804 8.511 -3.842 1.00 0.00 N ATOM 0 H LYS A 96 -7.010 6.151 0.783 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.583 8.459 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.279 7.453 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.614 8.963 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.786 7.889 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.984 6.420 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.953 5.738 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.374 6.363 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.728 8.263 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.745 7.103 -5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.096 8.952 -4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.586 7.937 -3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.559 9.252 -3.155 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.053 8.974 2.302 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.732 9.967 3.126 1.00 0.00 C ATOM 1483 C ILE A 97 -8.259 9.896 4.574 1.00 0.00 C ATOM 1484 O ILE A 97 -8.182 10.913 5.264 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.261 9.779 3.088 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.646 8.426 3.689 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.773 9.896 1.660 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.139 8.229 3.826 1.00 0.00 C ATOM 0 H ILE A 97 -8.229 8.007 2.575 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.483 10.944 2.712 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.724 10.565 3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.239 7.631 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.183 8.329 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.855 9.761 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.526 10.881 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.305 9.130 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.338 7.249 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.550 9.002 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.606 8.294 2.843 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.941 8.688 5.029 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.472 8.484 6.395 1.00 0.00 C ATOM 1502 C HIS A 98 -5.957 8.639 6.478 1.00 0.00 C ATOM 1503 O HIS A 98 -5.225 8.153 5.615 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.883 7.099 6.896 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.346 6.979 7.193 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.966 5.774 7.449 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.313 7.923 7.276 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.251 5.982 7.675 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.487 7.278 7.576 1.00 0.00 N ATOM 0 H HIS A 98 -8.000 7.836 4.472 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.932 9.243 7.028 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.611 6.355 6.147 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.317 6.865 7.798 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.185 8.986 7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.984 5.222 7.902 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.394 7.727 7.702 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.493 9.319 7.521 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.065 9.540 7.714 1.00 0.00 C ATOM 1520 C TYR A 99 -3.452 8.434 8.567 1.00 0.00 C ATOM 1521 O TYR A 99 -3.797 8.274 9.739 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.823 10.900 8.373 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.294 12.069 7.538 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.628 12.192 7.169 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.405 13.050 7.117 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.062 13.259 6.406 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -3.830 14.121 6.355 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.160 14.221 6.002 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.588 15.285 5.241 1.00 0.00 O ATOM 0 H TYR A 99 -6.085 9.726 8.245 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.586 9.526 6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.333 10.924 9.336 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.758 11.013 8.573 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.337 11.441 7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.363 12.974 7.390 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.102 13.339 6.127 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.125 14.875 6.038 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.828 15.872 5.042 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.542 7.672 7.971 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.879 6.579 8.675 1.00 0.00 C ATOM 1541 C LEU A 100 -1.247 7.072 9.973 1.00 0.00 C ATOM 1542 O LEU A 100 -1.706 6.737 11.065 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.811 5.945 7.782 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.270 5.517 6.387 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.948 6.596 5.365 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -0.621 4.198 5.995 1.00 0.00 C ATOM 0 H LEU A 100 -2.246 7.790 7.002 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.630 5.828 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.009 6.654 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.409 5.071 8.295 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.351 5.376 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.282 6.274 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.459 7.519 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.128 6.769 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.958 3.908 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.463 4.313 5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.902 3.427 6.712 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.192 7.869 9.845 1.00 0.00 N ATOM 1559 CA ASP A 101 0.502 8.411 11.008 1.00 0.00 C ATOM 1560 C ASP A 101 0.351 9.927 11.073 1.00 0.00 C ATOM 1561 O ASP A 101 -0.326 10.457 11.955 1.00 0.00 O ATOM 1562 CB ASP A 101 1.984 8.035 10.965 1.00 0.00 C ATOM 1563 CG ASP A 101 2.587 7.899 12.349 1.00 0.00 C ATOM 1564 OD1 ASP A 101 2.115 7.037 13.119 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.532 8.654 12.662 1.00 0.00 O ATOM 0 H ASP A 101 0.201 8.154 8.948 1.00 0.00 H new ATOM 0 HA ASP A 101 0.052 7.980 11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.102 7.095 10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.532 8.793 10.406 1.00 0.00 H new ATOM 1570 N THR A 102 0.986 10.621 10.134 1.00 0.00 N ATOM 1571 CA THR A 102 0.924 12.077 10.086 1.00 0.00 C ATOM 1572 C THR A 102 0.560 12.566 8.689 1.00 0.00 C ATOM 1573 O THR A 102 0.435 13.768 8.453 1.00 0.00 O ATOM 1574 CB THR A 102 2.263 12.710 10.507 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.081 14.103 10.783 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.310 12.537 9.416 1.00 0.00 C ATOM 0 H THR A 102 1.549 10.198 9.396 1.00 0.00 H new ATOM 0 HA THR A 102 0.149 12.384 10.788 1.00 0.00 H new ATOM 0 HB THR A 102 2.612 12.204 11.407 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.556 14.513 10.064 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.247 12.992 9.736 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.468 11.475 9.228 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.966 13.020 8.501 1.00 0.00 H new ATOM 1584 N THR A 103 0.391 11.626 7.763 1.00 0.00 N ATOM 1585 CA THR A 103 0.042 11.962 6.388 1.00 0.00 C ATOM 1586 C THR A 103 -0.778 10.851 5.743 1.00 0.00 C ATOM 1587 O THR A 103 -1.024 9.811 6.354 1.00 0.00 O ATOM 1588 CB THR A 103 1.299 12.218 5.536 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.980 13.080 4.438 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.872 10.910 5.011 1.00 0.00 C ATOM 0 H THR A 103 0.490 10.627 7.941 1.00 0.00 H new ATOM 0 HA THR A 103 -0.553 12.874 6.426 1.00 0.00 H new ATOM 0 HB THR A 103 2.047 12.697 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.785 13.239 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.759 11.116 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.141 10.268 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.127 10.408 4.394 1.00 0.00 H new ATOM 1598 N THR A 104 -1.200 11.077 4.502 1.00 0.00 N ATOM 1599 CA THR A 104 -1.993 10.096 3.773 1.00 0.00 C ATOM 1600 C THR A 104 -1.275 9.638 2.509 1.00 0.00 C ATOM 1601 O THR A 104 -0.161 10.078 2.221 1.00 0.00 O ATOM 1602 CB THR A 104 -3.373 10.662 3.390 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.216 11.794 2.528 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.156 11.067 4.630 1.00 0.00 C ATOM 0 H THR A 104 -1.005 11.932 3.981 1.00 0.00 H new ATOM 0 HA THR A 104 -2.130 9.243 4.438 1.00 0.00 H new ATOM 0 HB THR A 104 -3.928 9.883 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.098 12.147 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.127 11.464 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.300 10.196 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.603 11.831 5.176 1.00 0.00 H new ATOM 1612 N LEU A 105 -1.918 8.752 1.756 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.341 8.235 0.521 1.00 0.00 C ATOM 1614 C LEU A 105 -1.694 9.131 -0.662 1.00 0.00 C ATOM 1615 O LEU A 105 -2.868 9.316 -0.984 1.00 0.00 O ATOM 1616 CB LEU A 105 -1.834 6.810 0.262 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.601 5.804 1.389 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.340 4.505 1.106 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.113 5.544 1.572 1.00 0.00 C ATOM 0 H LEU A 105 -2.840 8.377 1.980 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.257 8.223 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.903 6.849 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.346 6.436 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.992 6.227 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.162 3.801 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.409 4.704 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.979 4.078 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.034 4.826 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.303 5.142 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.392 6.478 1.821 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.671 9.681 -1.307 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.874 10.555 -2.456 1.00 0.00 C ATOM 1633 C ILE A 106 -0.792 9.772 -3.762 1.00 0.00 C ATOM 1634 O ILE A 106 -1.789 9.615 -4.466 1.00 0.00 O ATOM 1635 CB ILE A 106 0.163 11.693 -2.488 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.126 12.483 -1.178 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.095 12.611 -3.673 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.112 13.339 -1.023 1.00 0.00 C ATOM 0 H ILE A 106 0.307 9.537 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.870 10.985 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 106 1.156 11.257 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.183 11.787 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.008 13.121 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.646 13.410 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.024 12.039 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.093 13.042 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.070 13.870 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.161 14.060 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.998 12.705 -1.046 1.00 0.00 H new ATOM 1650 N GLU A 107 0.402 9.282 -4.079 1.00 0.00 N ATOM 1651 CA GLU A 107 0.613 8.514 -5.300 1.00 0.00 C ATOM 1652 C GLU A 107 1.717 7.477 -5.108 1.00 0.00 C ATOM 1653 O GLU A 107 2.696 7.701 -4.396 1.00 0.00 O ATOM 1654 CB GLU A 107 0.970 9.446 -6.460 1.00 0.00 C ATOM 1655 CG GLU A 107 2.327 10.114 -6.308 1.00 0.00 C ATOM 1656 CD GLU A 107 2.550 11.218 -7.323 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.005 12.324 -7.125 1.00 0.00 O ATOM 1658 OE2 GLU A 107 3.269 10.977 -8.315 1.00 0.00 O ATOM 0 H GLU A 107 1.238 9.403 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.315 7.992 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.956 8.877 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.203 10.216 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.414 10.527 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.111 9.364 -6.414 1.00 0.00 H new ATOM 1665 N PRO A 108 1.556 6.315 -5.758 1.00 0.00 N ATOM 1666 CA PRO A 108 2.527 5.221 -5.675 1.00 0.00 C ATOM 1667 C PRO A 108 3.835 5.550 -6.387 1.00 0.00 C ATOM 1668 O PRO A 108 3.831 6.127 -7.474 1.00 0.00 O ATOM 1669 CB PRO A 108 1.815 4.060 -6.374 1.00 0.00 C ATOM 1670 CG PRO A 108 0.851 4.712 -7.304 1.00 0.00 C ATOM 1671 CD PRO A 108 0.413 5.980 -6.624 1.00 0.00 C ATOM 0 HA PRO A 108 2.811 5.007 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.522 3.430 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.302 3.420 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.319 4.926 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.001 4.061 -7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.209 6.772 -7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.499 5.832 -6.046 1.00 0.00 H new ATOM 1679 N ALA A 109 4.950 5.181 -5.767 1.00 0.00 N ATOM 1680 CA ALA A 109 6.265 5.435 -6.344 1.00 0.00 C ATOM 1681 C ALA A 109 6.388 4.807 -7.728 1.00 0.00 C ATOM 1682 O ALA A 109 5.673 3.866 -8.075 1.00 0.00 O ATOM 1683 CB ALA A 109 7.356 4.909 -5.423 1.00 0.00 C ATOM 0 H ALA A 109 4.970 4.705 -4.865 1.00 0.00 H new ATOM 0 HA ALA A 109 6.385 6.513 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.332 5.105 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.289 5.409 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.229 3.835 -5.285 1.00 0.00 H new ATOM 1689 N PRO A 110 7.316 5.337 -8.539 1.00 0.00 N ATOM 1690 CA PRO A 110 7.555 4.842 -9.898 1.00 0.00 C ATOM 1691 C PRO A 110 8.195 3.459 -9.908 1.00 0.00 C ATOM 1692 O PRO A 110 8.978 3.120 -9.019 1.00 0.00 O ATOM 1693 CB PRO A 110 8.513 5.879 -10.489 1.00 0.00 C ATOM 1694 CG PRO A 110 9.207 6.469 -9.311 1.00 0.00 C ATOM 1695 CD PRO A 110 8.204 6.459 -8.191 1.00 0.00 C ATOM 0 HA PRO A 110 6.628 4.729 -10.459 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.222 5.417 -11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.974 6.640 -11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.091 5.888 -9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.544 7.484 -9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.683 6.307 -7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.658 7.400 -8.132 1.00 0.00 H new ATOM 1703 N ARG A 111 7.860 2.663 -10.918 1.00 0.00 N ATOM 1704 CA ARG A 111 8.402 1.316 -11.042 1.00 0.00 C ATOM 1705 C ARG A 111 9.850 1.355 -11.523 1.00 0.00 C ATOM 1706 O ARG A 111 10.419 0.328 -11.892 1.00 0.00 O ATOM 1707 CB ARG A 111 7.554 0.489 -12.010 1.00 0.00 C ATOM 1708 CG ARG A 111 6.064 0.768 -11.906 1.00 0.00 C ATOM 1709 CD ARG A 111 5.611 1.773 -12.952 1.00 0.00 C ATOM 1710 NE ARG A 111 5.144 1.121 -14.173 1.00 0.00 N ATOM 1711 CZ ARG A 111 4.517 1.760 -15.154 1.00 0.00 C ATOM 1712 NH1 ARG A 111 4.282 3.061 -15.058 1.00 0.00 N ATOM 1713 NH2 ARG A 111 4.123 1.097 -16.234 1.00 0.00 N ATOM 0 H ARG A 111 7.215 2.928 -11.663 1.00 0.00 H new ATOM 0 HA ARG A 111 8.376 0.849 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.882 0.690 -13.030 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.731 -0.570 -11.821 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.509 -0.162 -12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.832 1.148 -10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 111 4.811 2.388 -12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.437 2.443 -13.192 1.00 0.00 H new ATOM 0 HE ARG A 111 5.309 0.120 -14.278 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.583 3.574 -14.229 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.800 3.549 -15.813 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.302 0.096 -16.311 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.642 1.589 -16.987 1.00 0.00 H new TER 1727 ARG A 111