USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 849 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 10 HIS : no HE2:sc= -14.2! C(o=-19!,f=-20!) USER MOD Set 1.2: A 13 MET CE :methyl -176:sc= -5.63! (180deg=-5.06!) USER MOD Set 1.3: A 113 SER OG : rot -37:sc= 1.09 USER MOD Set 2.1: A 39 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 46 SER OG : rot 180:sc= -0.715 USER MOD Set 3.2: A 64 HIS : no HE2:sc= -1.58! C(o=-2.3!,f=-4.8!) USER MOD Set 4.1: A 6 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 86 THR OG1 : rot 9:sc= 0.811 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0129 (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 9 TYR OH : rot -44:sc= 1 USER MOD Single : A 12 HIS : no HD1:sc= -0.797 K(o=-0.8,f=0.076) USER MOD Single : A 14 SER OG : rot 180:sc= -0.021 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.698 K(o=-0.7,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -100:sc= -0.352 USER MOD Single : A 36 SER OG : rot 180:sc= -0.209 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -160:sc= 0.454 USER MOD Single : A 51 GLN : amide:sc=-0.00395 X(o=-0.0039,f=-0.073) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -50:sc= 2.71 USER MOD Single : A 63 THR OG1 : rot 156:sc= 0.916 USER MOD Single : A 68 MET CE :methyl -164:sc= -6.09! (180deg=-6.84!) USER MOD Single : A 69 CYS SG : rot -171:sc= -0.338 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 149:sc= 0.849 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -4.36 K(o=-4.4,f=-1.1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -136:sc= -1.51! USER MOD Single : A 101 SER OG : rot 180:sc= 0.0642 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.717 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.650 10.593 -23.581 1.00 0.00 N ATOM 2 CA GLY A 1 -0.466 9.751 -23.614 1.00 0.00 C ATOM 3 C GLY A 1 -0.845 8.270 -23.548 1.00 0.00 C ATOM 4 O GLY A 1 -1.749 7.889 -22.807 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.456 11.442 -23.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.903 10.875 -24.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.439 10.065 -23.157 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.098 9.946 -24.526 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.186 10.001 -22.777 1.00 0.00 H new ATOM 8 N SER A 2 -0.134 7.475 -24.334 1.00 0.00 N ATOM 9 CA SER A 2 -0.384 6.045 -24.375 1.00 0.00 C ATOM 10 C SER A 2 -0.510 5.495 -22.953 1.00 0.00 C ATOM 11 O SER A 2 -1.536 4.917 -22.595 1.00 0.00 O ATOM 12 CB SER A 2 0.727 5.312 -25.130 1.00 0.00 C ATOM 13 OG SER A 2 0.533 3.901 -25.129 1.00 0.00 O ATOM 0 H SER A 2 0.615 7.795 -24.948 1.00 0.00 H new ATOM 0 HA SER A 2 -1.320 5.877 -24.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.765 5.672 -26.158 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.690 5.546 -24.675 1.00 0.00 H new ATOM 0 HG SER A 2 1.262 3.470 -25.622 1.00 0.00 H new ATOM 19 N SER A 3 0.547 5.694 -22.179 1.00 0.00 N ATOM 20 CA SER A 3 0.567 5.226 -20.804 1.00 0.00 C ATOM 21 C SER A 3 0.690 6.414 -19.848 1.00 0.00 C ATOM 22 O SER A 3 0.945 7.538 -20.278 1.00 0.00 O ATOM 23 CB SER A 3 1.715 4.240 -20.575 1.00 0.00 C ATOM 24 OG SER A 3 2.955 4.906 -20.353 1.00 0.00 O ATOM 0 H SER A 3 1.396 6.173 -22.479 1.00 0.00 H new ATOM 0 HA SER A 3 -0.370 4.705 -20.607 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.484 3.608 -19.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.806 3.583 -21.440 1.00 0.00 H new ATOM 0 HG SER A 3 3.662 4.242 -20.210 1.00 0.00 H new ATOM 30 N GLY A 4 0.501 6.126 -18.569 1.00 0.00 N ATOM 31 CA GLY A 4 0.587 7.157 -17.549 1.00 0.00 C ATOM 32 C GLY A 4 2.024 7.315 -17.049 1.00 0.00 C ATOM 33 O GLY A 4 2.971 6.959 -17.749 1.00 0.00 O ATOM 0 H GLY A 4 0.289 5.193 -18.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.233 8.105 -17.954 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.066 6.903 -16.714 1.00 0.00 H new ATOM 37 N SER A 5 2.142 7.851 -15.843 1.00 0.00 N ATOM 38 CA SER A 5 3.448 8.061 -15.242 1.00 0.00 C ATOM 39 C SER A 5 3.314 8.167 -13.722 1.00 0.00 C ATOM 40 O SER A 5 3.172 9.263 -13.182 1.00 0.00 O ATOM 41 CB SER A 5 4.118 9.317 -15.804 1.00 0.00 C ATOM 42 OG SER A 5 5.331 9.014 -16.488 1.00 0.00 O ATOM 0 H SER A 5 1.354 8.146 -15.266 1.00 0.00 H new ATOM 0 HA SER A 5 4.078 7.206 -15.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.432 9.819 -16.487 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.324 10.013 -14.991 1.00 0.00 H new ATOM 0 HG SER A 5 5.727 9.841 -16.833 1.00 0.00 H new ATOM 48 N SER A 6 3.363 7.012 -13.073 1.00 0.00 N ATOM 49 CA SER A 6 3.249 6.962 -11.626 1.00 0.00 C ATOM 50 C SER A 6 2.086 7.842 -11.162 1.00 0.00 C ATOM 51 O SER A 6 2.265 9.034 -10.917 1.00 0.00 O ATOM 52 CB SER A 6 4.550 7.404 -10.954 1.00 0.00 C ATOM 53 OG SER A 6 5.570 6.415 -11.064 1.00 0.00 O ATOM 0 H SER A 6 3.480 6.104 -13.523 1.00 0.00 H new ATOM 0 HA SER A 6 3.055 5.930 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.895 8.333 -11.408 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.361 7.615 -9.901 1.00 0.00 H new ATOM 0 HG SER A 6 6.425 6.793 -10.769 1.00 0.00 H new ATOM 59 N GLY A 7 0.921 7.220 -11.054 1.00 0.00 N ATOM 60 CA GLY A 7 -0.270 7.931 -10.623 1.00 0.00 C ATOM 61 C GLY A 7 -1.024 7.140 -9.552 1.00 0.00 C ATOM 62 O GLY A 7 -2.207 6.845 -9.712 1.00 0.00 O ATOM 0 H GLY A 7 0.777 6.231 -11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.008 8.909 -10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.923 8.106 -11.478 1.00 0.00 H new ATOM 66 N TRP A 8 -0.308 6.821 -8.484 1.00 0.00 N ATOM 67 CA TRP A 8 -0.895 6.070 -7.387 1.00 0.00 C ATOM 68 C TRP A 8 -1.098 7.029 -6.213 1.00 0.00 C ATOM 69 O TRP A 8 -2.034 6.871 -5.432 1.00 0.00 O ATOM 70 CB TRP A 8 -0.031 4.859 -7.028 1.00 0.00 C ATOM 71 CG TRP A 8 1.415 4.959 -7.518 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.979 4.326 -8.556 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.464 5.768 -6.945 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.310 4.667 -8.693 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.613 5.571 -7.682 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.441 6.637 -5.840 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.826 6.209 -7.395 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.661 7.266 -5.566 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.828 7.079 -6.298 1.00 0.00 C ATOM 0 H TRP A 8 0.673 7.069 -8.355 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.864 5.661 -7.674 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.029 4.735 -5.945 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.486 3.963 -7.450 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.458 3.636 -9.204 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.952 4.319 -9.405 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.553 6.806 -5.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.712 6.039 -7.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.698 7.945 -4.727 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.732 7.602 -6.022 1.00 0.00 H new ATOM 90 N TYR A 9 -0.205 8.004 -6.125 1.00 0.00 N ATOM 91 CA TYR A 9 -0.274 8.989 -5.060 1.00 0.00 C ATOM 92 C TYR A 9 -1.644 9.670 -5.030 1.00 0.00 C ATOM 93 O TYR A 9 -1.949 10.497 -5.888 1.00 0.00 O ATOM 94 CB TYR A 9 0.795 10.035 -5.382 1.00 0.00 C ATOM 95 CG TYR A 9 1.049 11.034 -4.251 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.724 10.634 -3.116 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.603 12.335 -4.367 1.00 0.00 C ATOM 98 CE1 TYR A 9 1.963 11.574 -2.052 1.00 0.00 C ATOM 99 CE2 TYR A 9 0.843 13.275 -3.302 1.00 0.00 C ATOM 100 CZ TYR A 9 1.511 12.848 -2.197 1.00 0.00 C ATOM 101 OH TYR A 9 1.737 13.736 -1.192 1.00 0.00 O ATOM 0 H TYR A 9 0.571 8.133 -6.775 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.118 8.516 -4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.729 9.525 -5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.496 10.582 -6.276 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.073 9.616 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.075 12.648 -5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.490 11.274 -1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.500 14.296 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 9 1.539 13.313 -0.331 1.00 0.00 H new ATOM 111 N HIS A 10 -2.434 9.296 -4.034 1.00 0.00 N ATOM 112 CA HIS A 10 -3.764 9.860 -3.882 1.00 0.00 C ATOM 113 C HIS A 10 -3.697 11.099 -2.986 1.00 0.00 C ATOM 114 O HIS A 10 -4.720 11.563 -2.485 1.00 0.00 O ATOM 115 CB HIS A 10 -4.745 8.806 -3.365 1.00 0.00 C ATOM 116 CG HIS A 10 -4.967 7.655 -4.316 1.00 0.00 C ATOM 117 ND1 HIS A 10 -5.928 7.680 -5.312 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.343 6.446 -4.413 1.00 0.00 C ATOM 119 CE1 HIS A 10 -5.876 6.532 -5.972 1.00 0.00 C ATOM 120 NE2 HIS A 10 -4.894 5.769 -5.413 1.00 0.00 N ATOM 0 H HIS A 10 -2.178 8.609 -3.325 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.142 10.178 -4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.376 8.415 -2.417 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.703 9.285 -3.161 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.567 8.451 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.537 6.099 -3.783 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.502 6.250 -6.806 1.00 0.00 H new ATOM 128 N GLY A 11 -2.482 11.598 -2.810 1.00 0.00 N ATOM 129 CA GLY A 11 -2.268 12.773 -1.983 1.00 0.00 C ATOM 130 C GLY A 11 -2.200 12.396 -0.502 1.00 0.00 C ATOM 131 O GLY A 11 -1.140 12.028 0.001 1.00 0.00 O ATOM 0 H GLY A 11 -1.636 11.210 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.342 13.267 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.076 13.487 -2.143 1.00 0.00 H new ATOM 135 N HIS A 12 -3.346 12.501 0.156 1.00 0.00 N ATOM 136 CA HIS A 12 -3.429 12.175 1.569 1.00 0.00 C ATOM 137 C HIS A 12 -4.712 11.387 1.839 1.00 0.00 C ATOM 138 O HIS A 12 -5.721 11.957 2.252 1.00 0.00 O ATOM 139 CB HIS A 12 -3.319 13.439 2.425 1.00 0.00 C ATOM 140 CG HIS A 12 -4.120 14.607 1.902 1.00 0.00 C ATOM 141 ND1 HIS A 12 -3.679 15.916 1.986 1.00 0.00 N ATOM 142 CD2 HIS A 12 -5.338 14.649 1.288 1.00 0.00 C ATOM 143 CE1 HIS A 12 -4.598 16.702 1.444 1.00 0.00 C ATOM 144 NE2 HIS A 12 -5.625 15.915 1.013 1.00 0.00 N ATOM 0 H HIS A 12 -4.224 12.807 -0.264 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.588 11.541 1.850 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.650 13.209 3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.271 13.731 2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.962 13.797 1.064 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.543 17.777 1.359 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.474 16.245 0.555 1.00 0.00 H new ATOM 152 N MET A 13 -4.633 10.087 1.595 1.00 0.00 N ATOM 153 CA MET A 13 -5.775 9.214 1.807 1.00 0.00 C ATOM 154 C MET A 13 -5.779 8.652 3.230 1.00 0.00 C ATOM 155 O MET A 13 -4.741 8.611 3.888 1.00 0.00 O ATOM 156 CB MET A 13 -5.730 8.061 0.802 1.00 0.00 C ATOM 157 CG MET A 13 -7.141 7.623 0.406 1.00 0.00 C ATOM 158 SD MET A 13 -7.751 8.653 -0.918 1.00 0.00 S ATOM 159 CE MET A 13 -7.748 7.471 -2.256 1.00 0.00 C ATOM 0 H MET A 13 -3.795 9.617 1.252 1.00 0.00 H new ATOM 0 HA MET A 13 -6.685 9.796 1.664 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.179 8.369 -0.086 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.192 7.218 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.132 6.579 0.091 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.807 7.691 1.267 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.036 7.969 -3.182 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.749 7.049 -2.366 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.457 6.672 -2.038 1.00 0.00 H new ATOM 169 N SER A 14 -6.959 8.233 3.663 1.00 0.00 N ATOM 170 CA SER A 14 -7.112 7.675 4.995 1.00 0.00 C ATOM 171 C SER A 14 -7.081 6.147 4.930 1.00 0.00 C ATOM 172 O SER A 14 -7.790 5.542 4.128 1.00 0.00 O ATOM 173 CB SER A 14 -8.413 8.152 5.646 1.00 0.00 C ATOM 174 OG SER A 14 -8.209 9.297 6.468 1.00 0.00 O ATOM 0 H SER A 14 -7.818 8.269 3.114 1.00 0.00 H new ATOM 0 HA SER A 14 -6.281 8.023 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.142 8.388 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.835 7.346 6.246 1.00 0.00 H new ATOM 0 HG SER A 14 -9.062 9.572 6.864 1.00 0.00 H new ATOM 180 N GLY A 15 -6.251 5.567 5.784 1.00 0.00 N ATOM 181 CA GLY A 15 -6.118 4.121 5.833 1.00 0.00 C ATOM 182 C GLY A 15 -7.474 3.438 5.643 1.00 0.00 C ATOM 183 O GLY A 15 -7.681 2.723 4.664 1.00 0.00 O ATOM 0 H GLY A 15 -5.664 6.072 6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.428 3.789 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.688 3.824 6.790 1.00 0.00 H new ATOM 187 N GLY A 16 -8.362 3.683 6.595 1.00 0.00 N ATOM 188 CA GLY A 16 -9.692 3.101 6.545 1.00 0.00 C ATOM 189 C GLY A 16 -10.324 3.296 5.165 1.00 0.00 C ATOM 190 O GLY A 16 -10.951 2.382 4.630 1.00 0.00 O ATOM 0 H GLY A 16 -8.186 4.277 7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.636 2.037 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.323 3.560 7.306 1.00 0.00 H new ATOM 194 N GLN A 17 -10.138 4.493 4.628 1.00 0.00 N ATOM 195 CA GLN A 17 -10.682 4.820 3.321 1.00 0.00 C ATOM 196 C GLN A 17 -10.111 3.879 2.258 1.00 0.00 C ATOM 197 O GLN A 17 -10.851 3.119 1.634 1.00 0.00 O ATOM 198 CB GLN A 17 -10.409 6.282 2.963 1.00 0.00 C ATOM 199 CG GLN A 17 -11.701 7.001 2.571 1.00 0.00 C ATOM 200 CD GLN A 17 -11.577 8.510 2.793 1.00 0.00 C ATOM 201 OE1 GLN A 17 -11.717 9.015 3.894 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.308 9.199 1.687 1.00 0.00 N ATOM 0 H GLN A 17 -9.618 5.248 5.075 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.763 4.685 3.355 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.950 6.788 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.697 6.332 2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.929 6.801 1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.532 6.610 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.203 8.713 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.207 10.213 1.730 1.00 0.00 H new ATOM 211 N ALA A 18 -8.800 3.960 2.085 1.00 0.00 N ATOM 212 CA ALA A 18 -8.122 3.125 1.108 1.00 0.00 C ATOM 213 C ALA A 18 -8.762 1.736 1.098 1.00 0.00 C ATOM 214 O ALA A 18 -9.155 1.237 0.045 1.00 0.00 O ATOM 215 CB ALA A 18 -6.627 3.076 1.429 1.00 0.00 C ATOM 0 H ALA A 18 -8.189 4.591 2.605 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.227 3.543 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.118 2.450 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.214 4.084 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.482 2.659 2.426 1.00 0.00 H new ATOM 221 N GLU A 19 -8.847 1.150 2.284 1.00 0.00 N ATOM 222 CA GLU A 19 -9.433 -0.172 2.425 1.00 0.00 C ATOM 223 C GLU A 19 -10.752 -0.253 1.653 1.00 0.00 C ATOM 224 O GLU A 19 -10.964 -1.183 0.877 1.00 0.00 O ATOM 225 CB GLU A 19 -9.638 -0.526 3.899 1.00 0.00 C ATOM 226 CG GLU A 19 -8.510 -1.426 4.408 1.00 0.00 C ATOM 227 CD GLU A 19 -9.061 -2.548 5.291 1.00 0.00 C ATOM 228 OE1 GLU A 19 -10.184 -3.008 4.991 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.346 -2.921 6.247 1.00 0.00 O ATOM 0 H GLU A 19 -8.520 1.567 3.156 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.742 -0.902 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.677 0.386 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.596 -1.030 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.972 -1.855 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.793 -0.832 4.974 1.00 0.00 H new ATOM 236 N THR A 20 -11.604 0.733 1.894 1.00 0.00 N ATOM 237 CA THR A 20 -12.896 0.785 1.232 1.00 0.00 C ATOM 238 C THR A 20 -12.720 1.092 -0.257 1.00 0.00 C ATOM 239 O THR A 20 -13.365 0.475 -1.102 1.00 0.00 O ATOM 240 CB THR A 20 -13.763 1.809 1.966 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.310 1.080 3.060 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.986 2.232 1.150 1.00 0.00 C ATOM 0 H THR A 20 -11.424 1.502 2.539 1.00 0.00 H new ATOM 0 HA THR A 20 -13.402 -0.180 1.275 1.00 0.00 H new ATOM 0 HB THR A 20 -13.164 2.688 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.885 1.670 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.567 2.960 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.660 2.680 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.603 1.358 0.940 1.00 0.00 H new ATOM 250 N LEU A 21 -11.843 2.047 -0.531 1.00 0.00 N ATOM 251 CA LEU A 21 -11.574 2.444 -1.903 1.00 0.00 C ATOM 252 C LEU A 21 -11.100 1.226 -2.698 1.00 0.00 C ATOM 253 O LEU A 21 -11.687 0.882 -3.723 1.00 0.00 O ATOM 254 CB LEU A 21 -10.597 3.621 -1.938 1.00 0.00 C ATOM 255 CG LEU A 21 -11.164 4.977 -1.516 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.734 5.332 -0.091 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.782 6.068 -2.519 1.00 0.00 C ATOM 0 H LEU A 21 -11.310 2.557 0.173 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.485 2.802 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.752 3.385 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.206 3.713 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.252 4.907 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.151 6.301 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.098 4.571 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.646 5.377 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.198 7.022 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.696 6.146 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.179 5.814 -3.502 1.00 0.00 H new ATOM 269 N LEU A 22 -10.041 0.608 -2.196 1.00 0.00 N ATOM 270 CA LEU A 22 -9.481 -0.564 -2.847 1.00 0.00 C ATOM 271 C LEU A 22 -10.572 -1.625 -3.005 1.00 0.00 C ATOM 272 O LEU A 22 -10.692 -2.246 -4.060 1.00 0.00 O ATOM 273 CB LEU A 22 -8.247 -1.059 -2.091 1.00 0.00 C ATOM 274 CG LEU A 22 -6.984 -0.208 -2.238 1.00 0.00 C ATOM 275 CD1 LEU A 22 -6.025 -0.444 -1.070 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.312 -0.453 -3.590 1.00 0.00 C ATOM 0 H LEU A 22 -9.556 0.897 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.133 -0.313 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.496 -1.124 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.021 -2.071 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.274 0.842 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.136 0.173 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.518 -0.178 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.737 -1.495 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.417 0.164 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.036 -1.504 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.003 -0.194 -4.392 1.00 0.00 H new ATOM 288 N GLN A 23 -11.340 -1.801 -1.940 1.00 0.00 N ATOM 289 CA GLN A 23 -12.418 -2.776 -1.946 1.00 0.00 C ATOM 290 C GLN A 23 -13.480 -2.386 -2.976 1.00 0.00 C ATOM 291 O GLN A 23 -13.970 -3.235 -3.719 1.00 0.00 O ATOM 292 CB GLN A 23 -13.032 -2.923 -0.553 1.00 0.00 C ATOM 293 CG GLN A 23 -12.160 -3.807 0.341 1.00 0.00 C ATOM 294 CD GLN A 23 -12.815 -4.022 1.707 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.878 -3.502 2.003 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.123 -4.816 2.519 1.00 0.00 N ATOM 0 H GLN A 23 -11.237 -1.285 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.005 -3.744 -2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.147 -1.940 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.029 -3.355 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.996 -4.770 -0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.181 -3.345 0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.239 -5.219 2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.476 -5.022 3.453 1.00 0.00 H new ATOM 305 N ALA A 24 -13.806 -1.102 -2.986 1.00 0.00 N ATOM 306 CA ALA A 24 -14.801 -0.589 -3.912 1.00 0.00 C ATOM 307 C ALA A 24 -14.457 -1.049 -5.330 1.00 0.00 C ATOM 308 O ALA A 24 -15.345 -1.399 -6.106 1.00 0.00 O ATOM 309 CB ALA A 24 -14.871 0.935 -3.794 1.00 0.00 C ATOM 0 H ALA A 24 -13.398 -0.401 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.789 -0.980 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.618 1.320 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.148 1.209 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.898 1.364 -4.033 1.00 0.00 H new ATOM 315 N LYS A 25 -13.165 -1.033 -5.626 1.00 0.00 N ATOM 316 CA LYS A 25 -12.693 -1.444 -6.937 1.00 0.00 C ATOM 317 C LYS A 25 -12.714 -2.972 -7.026 1.00 0.00 C ATOM 318 O LYS A 25 -13.280 -3.535 -7.962 1.00 0.00 O ATOM 319 CB LYS A 25 -11.322 -0.830 -7.229 1.00 0.00 C ATOM 320 CG LYS A 25 -11.206 -0.424 -8.700 1.00 0.00 C ATOM 321 CD LYS A 25 -10.950 1.078 -8.835 1.00 0.00 C ATOM 322 CE LYS A 25 -11.272 1.564 -10.249 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.581 2.254 -10.275 1.00 0.00 N ATOM 0 H LYS A 25 -12.431 -0.742 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.357 -1.070 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.167 0.042 -6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.539 -1.547 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.395 -0.979 -9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.122 -0.689 -9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.559 1.621 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.908 1.295 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.491 2.241 -10.594 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.287 0.718 -10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.784 2.577 -11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.326 1.597 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.554 3.073 -9.635 1.00 0.00 H new ATOM 337 N GLY A 26 -12.091 -3.599 -6.039 1.00 0.00 N ATOM 338 CA GLY A 26 -12.031 -5.050 -5.995 1.00 0.00 C ATOM 339 C GLY A 26 -10.812 -5.572 -6.757 1.00 0.00 C ATOM 340 O GLY A 26 -10.449 -6.741 -6.630 1.00 0.00 O ATOM 0 H GLY A 26 -11.624 -3.129 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.987 -5.384 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.940 -5.468 -6.426 1.00 0.00 H new ATOM 344 N GLU A 27 -10.213 -4.681 -7.533 1.00 0.00 N ATOM 345 CA GLU A 27 -9.042 -5.037 -8.317 1.00 0.00 C ATOM 346 C GLU A 27 -8.001 -5.728 -7.432 1.00 0.00 C ATOM 347 O GLU A 27 -7.450 -5.113 -6.520 1.00 0.00 O ATOM 348 CB GLU A 27 -8.447 -3.807 -9.004 1.00 0.00 C ATOM 349 CG GLU A 27 -9.305 -3.375 -10.195 1.00 0.00 C ATOM 350 CD GLU A 27 -8.724 -2.130 -10.867 1.00 0.00 C ATOM 351 OE1 GLU A 27 -7.498 -1.932 -10.732 1.00 0.00 O ATOM 352 OE2 GLU A 27 -9.520 -1.404 -11.501 1.00 0.00 O ATOM 0 H GLU A 27 -10.517 -3.713 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.349 -5.734 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.372 -2.988 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.435 -4.029 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.365 -4.188 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.322 -3.171 -9.860 1.00 0.00 H new ATOM 359 N PRO A 28 -7.758 -7.030 -7.740 1.00 0.00 N ATOM 360 CA PRO A 28 -6.794 -7.810 -6.984 1.00 0.00 C ATOM 361 C PRO A 28 -5.361 -7.419 -7.353 1.00 0.00 C ATOM 362 O PRO A 28 -5.027 -7.312 -8.532 1.00 0.00 O ATOM 363 CB PRO A 28 -7.117 -9.259 -7.311 1.00 0.00 C ATOM 364 CG PRO A 28 -7.939 -9.224 -8.589 1.00 0.00 C ATOM 365 CD PRO A 28 -8.392 -7.791 -8.813 1.00 0.00 C ATOM 0 HA PRO A 28 -6.860 -7.633 -5.910 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.206 -9.841 -7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.675 -9.727 -6.500 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.346 -9.573 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.800 -9.888 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.083 -7.427 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.478 -7.708 -8.770 1.00 0.00 H new ATOM 373 N TRP A 29 -4.553 -7.216 -6.323 1.00 0.00 N ATOM 374 CA TRP A 29 -3.164 -6.839 -6.524 1.00 0.00 C ATOM 375 C TRP A 29 -3.130 -5.369 -6.948 1.00 0.00 C ATOM 376 O TRP A 29 -2.521 -5.025 -7.959 1.00 0.00 O ATOM 377 CB TRP A 29 -2.485 -7.768 -7.532 1.00 0.00 C ATOM 378 CG TRP A 29 -2.632 -9.255 -7.205 1.00 0.00 C ATOM 379 CD1 TRP A 29 -3.058 -10.238 -8.010 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.333 -9.892 -5.945 1.00 0.00 C ATOM 381 NE1 TRP A 29 -3.057 -11.458 -7.363 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.601 -11.240 -6.068 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.851 -9.348 -4.742 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.420 -12.156 -5.025 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.675 -10.276 -3.709 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.941 -11.636 -3.816 1.00 0.00 C ATOM 0 H TRP A 29 -4.834 -7.305 -5.346 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.597 -6.948 -5.600 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.903 -7.581 -8.521 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.425 -7.521 -7.582 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.364 -10.094 -9.036 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.339 -12.354 -7.762 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.634 -8.297 -4.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.638 -13.207 -5.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.307 -9.909 -2.762 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.779 -12.289 -2.971 1.00 0.00 H new ATOM 397 N THR A 30 -3.792 -4.542 -6.152 1.00 0.00 N ATOM 398 CA THR A 30 -3.845 -3.117 -6.432 1.00 0.00 C ATOM 399 C THR A 30 -3.282 -2.320 -5.253 1.00 0.00 C ATOM 400 O THR A 30 -3.806 -2.394 -4.143 1.00 0.00 O ATOM 401 CB THR A 30 -5.292 -2.756 -6.774 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.604 -3.589 -7.887 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.427 -1.334 -7.323 1.00 0.00 C ATOM 0 H THR A 30 -4.296 -4.831 -5.314 1.00 0.00 H new ATOM 0 HA THR A 30 -3.220 -2.858 -7.286 1.00 0.00 H new ATOM 0 HB THR A 30 -5.912 -2.862 -5.884 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.529 -3.070 -8.715 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.473 -1.129 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.070 -0.621 -6.579 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.833 -1.237 -8.232 1.00 0.00 H new ATOM 411 N PHE A 31 -2.222 -1.577 -5.535 1.00 0.00 N ATOM 412 CA PHE A 31 -1.582 -0.768 -4.512 1.00 0.00 C ATOM 413 C PHE A 31 -1.871 0.719 -4.729 1.00 0.00 C ATOM 414 O PHE A 31 -2.359 1.112 -5.787 1.00 0.00 O ATOM 415 CB PHE A 31 -0.075 -1.006 -4.631 1.00 0.00 C ATOM 416 CG PHE A 31 0.607 -0.149 -5.699 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.501 -0.488 -7.012 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.320 0.950 -5.336 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.135 0.307 -8.004 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.954 1.745 -6.327 1.00 0.00 C ATOM 421 CZ PHE A 31 1.848 1.407 -7.640 1.00 0.00 C ATOM 0 H PHE A 31 -1.790 -1.518 -6.457 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.961 -1.044 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.392 -0.806 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.100 -2.058 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.065 -1.361 -7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.404 1.219 -4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.051 0.038 -9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.520 2.618 -6.038 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.330 2.012 -8.394 1.00 0.00 H new ATOM 431 N LEU A 32 -1.556 1.505 -3.710 1.00 0.00 N ATOM 432 CA LEU A 32 -1.775 2.940 -3.776 1.00 0.00 C ATOM 433 C LEU A 32 -1.011 3.621 -2.639 1.00 0.00 C ATOM 434 O LEU A 32 -0.947 3.097 -1.528 1.00 0.00 O ATOM 435 CB LEU A 32 -3.273 3.253 -3.784 1.00 0.00 C ATOM 436 CG LEU A 32 -3.951 3.320 -2.414 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.663 4.654 -1.724 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.452 3.048 -2.532 1.00 0.00 C ATOM 0 H LEU A 32 -1.151 1.175 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.383 3.343 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.422 4.208 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.779 2.495 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.530 2.535 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.157 4.675 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.588 4.768 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.039 5.471 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.910 3.101 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.907 3.794 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.610 2.055 -2.952 1.00 0.00 H new ATOM 450 N VAL A 33 -0.449 4.778 -2.957 1.00 0.00 N ATOM 451 CA VAL A 33 0.309 5.536 -1.976 1.00 0.00 C ATOM 452 C VAL A 33 -0.593 6.607 -1.358 1.00 0.00 C ATOM 453 O VAL A 33 -1.284 7.330 -2.073 1.00 0.00 O ATOM 454 CB VAL A 33 1.568 6.117 -2.623 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.524 6.670 -1.564 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.265 5.073 -3.499 1.00 0.00 C ATOM 0 H VAL A 33 -0.503 5.209 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 33 0.645 4.886 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 33 1.264 6.944 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.410 7.077 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.026 7.459 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.818 5.869 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.157 5.511 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.549 4.217 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.586 4.747 -4.287 1.00 0.00 H new ATOM 466 N ARG A 34 -0.557 6.673 -0.035 1.00 0.00 N ATOM 467 CA ARG A 34 -1.362 7.642 0.688 1.00 0.00 C ATOM 468 C ARG A 34 -0.625 8.113 1.944 1.00 0.00 C ATOM 469 O ARG A 34 -0.073 7.302 2.685 1.00 0.00 O ATOM 470 CB ARG A 34 -2.712 7.046 1.091 1.00 0.00 C ATOM 471 CG ARG A 34 -2.534 5.668 1.730 1.00 0.00 C ATOM 472 CD ARG A 34 -3.759 5.288 2.565 1.00 0.00 C ATOM 473 NE ARG A 34 -3.331 4.737 3.870 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.066 5.484 4.950 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.183 6.817 4.888 1.00 0.00 N ATOM 476 NH2 ARG A 34 -2.683 4.897 6.093 1.00 0.00 N ATOM 0 H ARG A 34 0.017 6.071 0.555 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.535 8.489 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.214 7.714 1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.354 6.964 0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.373 4.921 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.645 5.668 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.390 6.163 2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.360 4.553 2.030 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.232 3.725 3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.474 7.264 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.981 7.385 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.593 3.882 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.481 5.465 6.916 1.00 0.00 H new ATOM 490 N GLU A 35 -0.641 9.423 2.144 1.00 0.00 N ATOM 491 CA GLU A 35 0.018 10.012 3.297 1.00 0.00 C ATOM 492 C GLU A 35 -0.684 9.582 4.587 1.00 0.00 C ATOM 493 O GLU A 35 -1.910 9.624 4.674 1.00 0.00 O ATOM 494 CB GLU A 35 0.068 11.537 3.181 1.00 0.00 C ATOM 495 CG GLU A 35 1.373 11.995 2.528 1.00 0.00 C ATOM 496 CD GLU A 35 1.432 13.521 2.432 1.00 0.00 C ATOM 497 OE1 GLU A 35 1.357 14.160 3.504 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.551 14.014 1.290 1.00 0.00 O ATOM 0 H GLU A 35 -1.100 10.093 1.527 1.00 0.00 H new ATOM 0 HA GLU A 35 1.046 9.650 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.780 11.888 2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.024 11.984 4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.221 11.630 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.457 11.561 1.532 1.00 0.00 H new ATOM 505 N SER A 36 0.124 9.179 5.557 1.00 0.00 N ATOM 506 CA SER A 36 -0.404 8.743 6.838 1.00 0.00 C ATOM 507 C SER A 36 -0.869 9.952 7.652 1.00 0.00 C ATOM 508 O SER A 36 -0.049 10.716 8.158 1.00 0.00 O ATOM 509 CB SER A 36 0.640 7.945 7.621 1.00 0.00 C ATOM 510 OG SER A 36 0.089 6.764 8.197 1.00 0.00 O ATOM 0 H SER A 36 1.141 9.145 5.481 1.00 0.00 H new ATOM 0 HA SER A 36 -1.256 8.090 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.462 7.675 6.958 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.059 8.571 8.409 1.00 0.00 H new ATOM 0 HG SER A 36 0.788 6.282 8.687 1.00 0.00 H new ATOM 516 N LEU A 37 -2.183 10.087 7.752 1.00 0.00 N ATOM 517 CA LEU A 37 -2.767 11.190 8.496 1.00 0.00 C ATOM 518 C LEU A 37 -2.371 11.073 9.969 1.00 0.00 C ATOM 519 O LEU A 37 -2.104 12.078 10.626 1.00 0.00 O ATOM 520 CB LEU A 37 -4.279 11.249 8.269 1.00 0.00 C ATOM 521 CG LEU A 37 -4.754 12.182 7.154 1.00 0.00 C ATOM 522 CD1 LEU A 37 -4.156 11.774 5.806 1.00 0.00 C ATOM 523 CD2 LEU A 37 -6.282 12.248 7.107 1.00 0.00 C ATOM 0 H LEU A 37 -2.860 9.451 7.330 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.376 12.141 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.633 10.242 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.754 11.557 9.200 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.395 13.187 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.510 12.453 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.068 11.821 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.463 10.756 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.593 12.918 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.684 11.252 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.660 12.621 8.059 1.00 0.00 H new ATOM 535 N SER A 38 -2.345 9.837 10.445 1.00 0.00 N ATOM 536 CA SER A 38 -1.985 9.575 11.829 1.00 0.00 C ATOM 537 C SER A 38 -0.476 9.742 12.018 1.00 0.00 C ATOM 538 O SER A 38 -0.021 10.141 13.089 1.00 0.00 O ATOM 539 CB SER A 38 -2.421 8.172 12.255 1.00 0.00 C ATOM 540 OG SER A 38 -3.134 8.187 13.489 1.00 0.00 O ATOM 0 H SER A 38 -2.567 9.006 9.897 1.00 0.00 H new ATOM 0 HA SER A 38 -2.506 10.295 12.460 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.049 7.736 11.478 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.543 7.533 12.351 1.00 0.00 H new ATOM 0 HG SER A 38 -3.397 7.273 13.726 1.00 0.00 H new ATOM 546 N GLN A 39 0.259 9.429 10.961 1.00 0.00 N ATOM 547 CA GLN A 39 1.707 9.539 10.997 1.00 0.00 C ATOM 548 C GLN A 39 2.184 10.600 10.003 1.00 0.00 C ATOM 549 O GLN A 39 2.348 10.316 8.817 1.00 0.00 O ATOM 550 CB GLN A 39 2.367 8.188 10.715 1.00 0.00 C ATOM 551 CG GLN A 39 2.885 7.551 12.007 1.00 0.00 C ATOM 552 CD GLN A 39 4.260 6.916 11.792 1.00 0.00 C ATOM 553 OE1 GLN A 39 4.396 5.839 11.236 1.00 0.00 O ATOM 554 NE2 GLN A 39 5.270 7.642 12.263 1.00 0.00 N ATOM 0 H GLN A 39 -0.122 9.099 10.074 1.00 0.00 H new ATOM 0 HA GLN A 39 2.003 9.849 11.999 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.649 7.521 10.239 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.192 8.321 10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.948 8.307 12.790 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.181 6.794 12.351 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.087 8.536 12.718 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.228 7.305 12.169 1.00 0.00 H new ATOM 563 N PRO A 40 2.398 11.833 10.536 1.00 0.00 N ATOM 564 CA PRO A 40 2.852 12.937 9.709 1.00 0.00 C ATOM 565 C PRO A 40 4.336 12.791 9.365 1.00 0.00 C ATOM 566 O PRO A 40 5.185 12.781 10.254 1.00 0.00 O ATOM 567 CB PRO A 40 2.552 14.187 10.521 1.00 0.00 C ATOM 568 CG PRO A 40 2.371 13.718 11.955 1.00 0.00 C ATOM 569 CD PRO A 40 2.214 12.206 11.935 1.00 0.00 C ATOM 0 HA PRO A 40 2.347 12.974 8.744 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.367 14.907 10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.653 14.684 10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.230 14.005 12.562 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.494 14.187 12.402 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.953 11.723 12.574 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.232 11.905 12.299 1.00 0.00 H new ATOM 577 N GLY A 41 4.602 12.679 8.071 1.00 0.00 N ATOM 578 CA GLY A 41 5.969 12.533 7.599 1.00 0.00 C ATOM 579 C GLY A 41 6.175 11.173 6.931 1.00 0.00 C ATOM 580 O GLY A 41 6.978 11.046 6.008 1.00 0.00 O ATOM 0 H GLY A 41 3.895 12.686 7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.200 13.329 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.660 12.640 8.435 1.00 0.00 H new ATOM 584 N ASP A 42 5.436 10.189 7.423 1.00 0.00 N ATOM 585 CA ASP A 42 5.528 8.843 6.885 1.00 0.00 C ATOM 586 C ASP A 42 4.417 8.633 5.854 1.00 0.00 C ATOM 587 O ASP A 42 3.700 9.571 5.510 1.00 0.00 O ATOM 588 CB ASP A 42 5.354 7.796 7.987 1.00 0.00 C ATOM 589 CG ASP A 42 6.358 7.895 9.137 1.00 0.00 C ATOM 590 OD1 ASP A 42 6.809 9.031 9.401 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.653 6.833 9.727 1.00 0.00 O ATOM 0 H ASP A 42 4.771 10.298 8.189 1.00 0.00 H new ATOM 0 HA ASP A 42 6.512 8.728 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.347 7.884 8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.432 6.804 7.541 1.00 0.00 H new ATOM 596 N PHE A 43 4.311 7.397 5.389 1.00 0.00 N ATOM 597 CA PHE A 43 3.299 7.052 4.405 1.00 0.00 C ATOM 598 C PHE A 43 2.860 5.594 4.557 1.00 0.00 C ATOM 599 O PHE A 43 3.539 4.802 5.209 1.00 0.00 O ATOM 600 CB PHE A 43 3.935 7.239 3.026 1.00 0.00 C ATOM 601 CG PHE A 43 4.542 8.626 2.803 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.764 9.644 2.348 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.860 8.841 3.061 1.00 0.00 C ATOM 604 CE1 PHE A 43 4.327 10.931 2.142 1.00 0.00 C ATOM 605 CE2 PHE A 43 6.423 10.128 2.855 1.00 0.00 C ATOM 606 CZ PHE A 43 5.645 11.146 2.400 1.00 0.00 C ATOM 0 H PHE A 43 4.909 6.622 5.675 1.00 0.00 H new ATOM 0 HA PHE A 43 2.421 7.683 4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.713 6.487 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.180 7.057 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.717 9.474 2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.478 8.033 3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.709 11.739 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.470 10.298 3.060 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.073 12.125 2.244 1.00 0.00 H new ATOM 616 N VAL A 44 1.727 5.284 3.944 1.00 0.00 N ATOM 617 CA VAL A 44 1.189 3.935 4.004 1.00 0.00 C ATOM 618 C VAL A 44 0.943 3.426 2.582 1.00 0.00 C ATOM 619 O VAL A 44 0.538 4.190 1.707 1.00 0.00 O ATOM 620 CB VAL A 44 -0.069 3.912 4.874 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.704 2.520 4.881 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.240 4.381 6.297 1.00 0.00 C ATOM 0 H VAL A 44 1.167 5.943 3.404 1.00 0.00 H new ATOM 0 HA VAL A 44 1.904 3.258 4.472 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.789 4.607 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.597 2.530 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.977 2.240 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.009 1.797 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.671 4.355 6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.985 3.723 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.626 5.400 6.268 1.00 0.00 H new ATOM 632 N LEU A 45 1.197 2.140 2.396 1.00 0.00 N ATOM 633 CA LEU A 45 1.008 1.520 1.096 1.00 0.00 C ATOM 634 C LEU A 45 -0.028 0.400 1.215 1.00 0.00 C ATOM 635 O LEU A 45 0.292 -0.702 1.657 1.00 0.00 O ATOM 636 CB LEU A 45 2.349 1.058 0.522 1.00 0.00 C ATOM 637 CG LEU A 45 2.287 0.319 -0.816 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.690 1.210 -1.907 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.663 -0.223 -1.208 1.00 0.00 C ATOM 0 H LEU A 45 1.532 1.510 3.124 1.00 0.00 H new ATOM 0 HA LEU A 45 0.615 2.244 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.991 1.931 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.829 0.407 1.252 1.00 0.00 H new ATOM 0 HG LEU A 45 1.624 -0.539 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.657 0.661 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.680 1.505 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.307 2.100 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.590 -0.744 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.368 0.604 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.013 -0.916 -0.443 1.00 0.00 H new ATOM 651 N SER A 46 -1.249 0.722 0.814 1.00 0.00 N ATOM 652 CA SER A 46 -2.334 -0.243 0.871 1.00 0.00 C ATOM 653 C SER A 46 -2.421 -1.012 -0.449 1.00 0.00 C ATOM 654 O SER A 46 -2.605 -0.414 -1.508 1.00 0.00 O ATOM 655 CB SER A 46 -3.667 0.444 1.173 1.00 0.00 C ATOM 656 OG SER A 46 -4.545 -0.397 1.917 1.00 0.00 O ATOM 0 H SER A 46 -1.511 1.637 0.448 1.00 0.00 H new ATOM 0 HA SER A 46 -2.126 -0.944 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.483 1.361 1.732 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.147 0.732 0.237 1.00 0.00 H new ATOM 0 HG SER A 46 -5.384 0.078 2.091 1.00 0.00 H new ATOM 662 N VAL A 47 -2.283 -2.325 -0.342 1.00 0.00 N ATOM 663 CA VAL A 47 -2.343 -3.182 -1.514 1.00 0.00 C ATOM 664 C VAL A 47 -3.506 -4.164 -1.364 1.00 0.00 C ATOM 665 O VAL A 47 -3.686 -4.761 -0.304 1.00 0.00 O ATOM 666 CB VAL A 47 -0.996 -3.878 -1.723 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.088 -4.927 -2.833 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.106 -2.860 -2.021 1.00 0.00 C ATOM 0 H VAL A 47 -2.130 -2.817 0.538 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.531 -2.590 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.736 -4.391 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.118 -5.407 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.831 -5.678 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.381 -4.445 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.053 -3.380 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.145 -2.306 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.197 -2.167 -1.185 1.00 0.00 H new ATOM 678 N LEU A 48 -4.266 -4.301 -2.441 1.00 0.00 N ATOM 679 CA LEU A 48 -5.407 -5.200 -2.442 1.00 0.00 C ATOM 680 C LEU A 48 -4.934 -6.617 -2.773 1.00 0.00 C ATOM 681 O LEU A 48 -4.276 -6.834 -3.789 1.00 0.00 O ATOM 682 CB LEU A 48 -6.498 -4.681 -3.381 1.00 0.00 C ATOM 683 CG LEU A 48 -7.916 -5.186 -3.106 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.359 -4.831 -1.686 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.897 -4.666 -4.159 1.00 0.00 C ATOM 0 H LEU A 48 -4.114 -3.804 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.862 -5.238 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.505 -3.592 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.229 -4.951 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.911 -6.274 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.370 -5.201 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.680 -5.290 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.343 -3.748 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.897 -5.040 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.905 -3.576 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.588 -5.011 -5.146 1.00 0.00 H new ATOM 697 N SER A 49 -5.288 -7.545 -1.896 1.00 0.00 N ATOM 698 CA SER A 49 -4.908 -8.935 -2.082 1.00 0.00 C ATOM 699 C SER A 49 -6.029 -9.693 -2.797 1.00 0.00 C ATOM 700 O SER A 49 -7.181 -9.261 -2.783 1.00 0.00 O ATOM 701 CB SER A 49 -4.586 -9.602 -0.744 1.00 0.00 C ATOM 702 OG SER A 49 -5.666 -10.403 -0.273 1.00 0.00 O ATOM 0 H SER A 49 -5.834 -7.361 -1.054 1.00 0.00 H new ATOM 0 HA SER A 49 -4.009 -8.964 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.696 -10.222 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.353 -8.836 -0.004 1.00 0.00 H new ATOM 0 HG SER A 49 -5.568 -10.550 0.691 1.00 0.00 H new ATOM 708 N ASP A 50 -5.653 -10.809 -3.403 1.00 0.00 N ATOM 709 CA ASP A 50 -6.612 -11.631 -4.121 1.00 0.00 C ATOM 710 C ASP A 50 -7.184 -12.685 -3.172 1.00 0.00 C ATOM 711 O ASP A 50 -7.668 -13.726 -3.615 1.00 0.00 O ATOM 712 CB ASP A 50 -5.947 -12.358 -5.291 1.00 0.00 C ATOM 713 CG ASP A 50 -5.240 -13.664 -4.923 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.685 -13.713 -3.804 1.00 0.00 O ATOM 715 OD2 ASP A 50 -5.272 -14.585 -5.769 1.00 0.00 O ATOM 0 H ASP A 50 -4.697 -11.164 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.398 -10.979 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.705 -12.573 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.222 -11.687 -5.751 1.00 0.00 H new ATOM 720 N GLN A 51 -7.111 -12.380 -1.885 1.00 0.00 N ATOM 721 CA GLN A 51 -7.615 -13.289 -0.870 1.00 0.00 C ATOM 722 C GLN A 51 -8.852 -12.694 -0.194 1.00 0.00 C ATOM 723 O GLN A 51 -8.749 -11.722 0.552 1.00 0.00 O ATOM 724 CB GLN A 51 -6.532 -13.618 0.159 1.00 0.00 C ATOM 725 CG GLN A 51 -5.438 -14.492 -0.457 1.00 0.00 C ATOM 726 CD GLN A 51 -4.999 -15.588 0.516 1.00 0.00 C ATOM 727 OE1 GLN A 51 -4.829 -15.367 1.704 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.825 -16.778 -0.052 1.00 0.00 N ATOM 0 H GLN A 51 -6.710 -11.515 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.903 -14.222 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.094 -12.695 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.978 -14.133 1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.805 -14.944 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.581 -13.874 -0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.985 -16.894 -1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.532 -17.575 0.513 1.00 0.00 H new ATOM 737 N PRO A 52 -10.024 -13.320 -0.486 1.00 0.00 N ATOM 738 CA PRO A 52 -11.279 -12.864 0.086 1.00 0.00 C ATOM 739 C PRO A 52 -11.390 -13.267 1.558 1.00 0.00 C ATOM 740 O PRO A 52 -10.547 -14.003 2.069 1.00 0.00 O ATOM 741 CB PRO A 52 -12.358 -13.488 -0.784 1.00 0.00 C ATOM 742 CG PRO A 52 -11.687 -14.637 -1.519 1.00 0.00 C ATOM 743 CD PRO A 52 -10.184 -14.475 -1.364 1.00 0.00 C ATOM 0 HA PRO A 52 -11.369 -11.778 0.091 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.191 -13.845 -0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.764 -12.759 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.012 -15.594 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.965 -14.630 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.732 -15.367 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.702 -14.310 -2.328 1.00 0.00 H new ATOM 751 N LYS A 53 -12.438 -12.769 2.198 1.00 0.00 N ATOM 752 CA LYS A 53 -12.670 -13.068 3.601 1.00 0.00 C ATOM 753 C LYS A 53 -13.601 -14.277 3.712 1.00 0.00 C ATOM 754 O LYS A 53 -13.362 -15.177 4.515 1.00 0.00 O ATOM 755 CB LYS A 53 -13.182 -11.828 4.336 1.00 0.00 C ATOM 756 CG LYS A 53 -12.122 -10.725 4.355 1.00 0.00 C ATOM 757 CD LYS A 53 -12.766 -9.348 4.529 1.00 0.00 C ATOM 758 CE LYS A 53 -12.846 -8.963 6.007 1.00 0.00 C ATOM 759 NZ LYS A 53 -12.591 -7.516 6.180 1.00 0.00 N ATOM 0 H LYS A 53 -13.136 -12.160 1.771 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.735 -13.338 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.086 -11.460 3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.454 -12.093 5.358 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.418 -10.906 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.551 -10.749 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.188 -8.601 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.766 -9.353 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.830 -9.215 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.117 -9.538 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.649 -7.271 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.642 -7.285 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.302 -6.972 5.651 1.00 0.00 H new ATOM 773 N ALA A 54 -14.643 -14.259 2.894 1.00 0.00 N ATOM 774 CA ALA A 54 -15.611 -15.343 2.891 1.00 0.00 C ATOM 775 C ALA A 54 -15.549 -16.072 1.548 1.00 0.00 C ATOM 776 O ALA A 54 -15.874 -17.255 1.464 1.00 0.00 O ATOM 777 CB ALA A 54 -17.004 -14.784 3.188 1.00 0.00 C ATOM 0 H ALA A 54 -14.838 -13.511 2.229 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.378 -16.068 3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.730 -15.597 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.002 -14.302 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.274 -14.054 2.424 1.00 0.00 H new ATOM 783 N GLY A 55 -15.130 -15.335 0.529 1.00 0.00 N ATOM 784 CA GLY A 55 -15.022 -15.897 -0.806 1.00 0.00 C ATOM 785 C GLY A 55 -15.765 -15.032 -1.827 1.00 0.00 C ATOM 786 O GLY A 55 -15.530 -13.828 -1.914 1.00 0.00 O ATOM 0 H GLY A 55 -14.861 -14.354 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.972 -15.977 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.431 -16.907 -0.813 1.00 0.00 H new ATOM 790 N PRO A 56 -16.670 -15.698 -2.593 1.00 0.00 N ATOM 791 CA PRO A 56 -17.450 -15.004 -3.604 1.00 0.00 C ATOM 792 C PRO A 56 -18.557 -14.165 -2.963 1.00 0.00 C ATOM 793 O PRO A 56 -19.468 -14.707 -2.338 1.00 0.00 O ATOM 794 CB PRO A 56 -17.984 -16.100 -4.510 1.00 0.00 C ATOM 795 CG PRO A 56 -17.874 -17.390 -3.714 1.00 0.00 C ATOM 796 CD PRO A 56 -16.975 -17.124 -2.517 1.00 0.00 C ATOM 0 HA PRO A 56 -16.858 -14.288 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.018 -15.903 -4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.406 -16.160 -5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.859 -17.721 -3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.460 -18.186 -4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.477 -17.372 -1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.067 -17.726 -2.562 1.00 0.00 H new ATOM 804 N GLY A 57 -18.443 -12.857 -3.139 1.00 0.00 N ATOM 805 CA GLY A 57 -19.423 -11.939 -2.586 1.00 0.00 C ATOM 806 C GLY A 57 -18.857 -11.199 -1.372 1.00 0.00 C ATOM 807 O GLY A 57 -19.529 -10.350 -0.789 1.00 0.00 O ATOM 0 H GLY A 57 -17.686 -12.411 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.723 -11.219 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.319 -12.489 -2.296 1.00 0.00 H new ATOM 811 N SER A 58 -17.626 -11.548 -1.027 1.00 0.00 N ATOM 812 CA SER A 58 -16.962 -10.928 0.106 1.00 0.00 C ATOM 813 C SER A 58 -15.834 -10.017 -0.382 1.00 0.00 C ATOM 814 O SER A 58 -15.272 -10.239 -1.453 1.00 0.00 O ATOM 815 CB SER A 58 -16.413 -11.983 1.068 1.00 0.00 C ATOM 816 OG SER A 58 -15.277 -12.656 0.531 1.00 0.00 O ATOM 0 H SER A 58 -17.071 -12.253 -1.513 1.00 0.00 H new ATOM 0 HA SER A 58 -17.696 -10.330 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.141 -11.508 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.193 -12.711 1.292 1.00 0.00 H new ATOM 0 HG SER A 58 -15.483 -12.976 -0.372 1.00 0.00 H new ATOM 822 N PRO A 59 -15.529 -8.984 0.448 1.00 0.00 N ATOM 823 CA PRO A 59 -14.478 -8.038 0.112 1.00 0.00 C ATOM 824 C PRO A 59 -13.095 -8.659 0.319 1.00 0.00 C ATOM 825 O PRO A 59 -12.888 -9.423 1.261 1.00 0.00 O ATOM 826 CB PRO A 59 -14.729 -6.836 1.007 1.00 0.00 C ATOM 827 CG PRO A 59 -15.622 -7.333 2.133 1.00 0.00 C ATOM 828 CD PRO A 59 -16.173 -8.690 1.725 1.00 0.00 C ATOM 0 HA PRO A 59 -14.495 -7.746 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.793 -6.438 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.211 -6.031 0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.057 -7.414 3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.435 -6.630 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.941 -9.451 2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.258 -8.663 1.624 1.00 0.00 H new ATOM 836 N LEU A 60 -12.184 -8.308 -0.577 1.00 0.00 N ATOM 837 CA LEU A 60 -10.826 -8.822 -0.504 1.00 0.00 C ATOM 838 C LEU A 60 -10.050 -8.048 0.563 1.00 0.00 C ATOM 839 O LEU A 60 -10.000 -6.819 0.532 1.00 0.00 O ATOM 840 CB LEU A 60 -10.168 -8.793 -1.885 1.00 0.00 C ATOM 841 CG LEU A 60 -10.770 -9.730 -2.934 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.203 -9.434 -4.324 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.577 -11.195 -2.537 1.00 0.00 C ATOM 0 H LEU A 60 -12.359 -7.674 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.830 -9.869 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.216 -7.773 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.113 -9.040 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.844 -9.547 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.647 -10.114 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.435 -8.405 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.122 -9.571 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.014 -11.839 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.512 -11.410 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.067 -11.381 -1.581 1.00 0.00 H new ATOM 855 N ARG A 61 -9.462 -8.799 1.483 1.00 0.00 N ATOM 856 CA ARG A 61 -8.690 -8.200 2.558 1.00 0.00 C ATOM 857 C ARG A 61 -7.773 -7.106 2.006 1.00 0.00 C ATOM 858 O ARG A 61 -7.587 -6.999 0.795 1.00 0.00 O ATOM 859 CB ARG A 61 -7.843 -9.250 3.280 1.00 0.00 C ATOM 860 CG ARG A 61 -8.551 -9.753 4.539 1.00 0.00 C ATOM 861 CD ARG A 61 -8.301 -11.248 4.748 1.00 0.00 C ATOM 862 NE ARG A 61 -9.229 -11.778 5.772 1.00 0.00 N ATOM 863 CZ ARG A 61 -9.062 -11.619 7.092 1.00 0.00 C ATOM 864 NH1 ARG A 61 -8.002 -10.944 7.556 1.00 0.00 N ATOM 865 NH2 ARG A 61 -9.956 -12.135 7.947 1.00 0.00 N ATOM 0 H ARG A 61 -9.505 -9.818 1.506 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.393 -7.766 3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.646 -10.087 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.877 -8.822 3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.197 -9.197 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.622 -9.568 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.439 -11.783 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.270 -11.413 5.060 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.047 -12.297 5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.322 -10.551 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.875 -10.823 8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.763 -12.648 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.829 -12.014 8.952 1.00 0.00 H new ATOM 879 N VAL A 62 -7.225 -6.321 2.922 1.00 0.00 N ATOM 880 CA VAL A 62 -6.332 -5.239 2.543 1.00 0.00 C ATOM 881 C VAL A 62 -5.053 -5.322 3.378 1.00 0.00 C ATOM 882 O VAL A 62 -5.087 -5.750 4.531 1.00 0.00 O ATOM 883 CB VAL A 62 -7.050 -3.895 2.681 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.113 -2.735 2.341 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.310 -3.854 1.815 1.00 0.00 C ATOM 0 H VAL A 62 -7.382 -6.413 3.926 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.043 -5.332 1.496 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.356 -3.785 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.649 -1.792 2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.259 -2.746 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.762 -2.840 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.801 -2.888 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.038 -3.998 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.991 -4.647 2.125 1.00 0.00 H new ATOM 895 N THR A 63 -3.955 -4.907 2.764 1.00 0.00 N ATOM 896 CA THR A 63 -2.667 -4.929 3.437 1.00 0.00 C ATOM 897 C THR A 63 -2.029 -3.539 3.413 1.00 0.00 C ATOM 898 O THR A 63 -1.734 -3.006 2.344 1.00 0.00 O ATOM 899 CB THR A 63 -1.806 -6.005 2.773 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.197 -7.212 3.421 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.322 -5.862 3.116 1.00 0.00 C ATOM 0 H THR A 63 -3.930 -4.553 1.808 1.00 0.00 H new ATOM 0 HA THR A 63 -2.775 -5.184 4.491 1.00 0.00 H new ATOM 0 HB THR A 63 -1.935 -5.956 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.010 -7.974 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.244 -6.650 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.037 -4.890 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.188 -5.944 4.195 1.00 0.00 H new ATOM 909 N HIS A 64 -1.834 -2.992 4.603 1.00 0.00 N ATOM 910 CA HIS A 64 -1.236 -1.674 4.733 1.00 0.00 C ATOM 911 C HIS A 64 0.272 -1.814 4.952 1.00 0.00 C ATOM 912 O HIS A 64 0.710 -2.251 6.015 1.00 0.00 O ATOM 913 CB HIS A 64 -1.924 -0.871 5.839 1.00 0.00 C ATOM 914 CG HIS A 64 -3.399 -0.648 5.608 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.889 0.400 4.848 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.486 -1.348 6.044 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.212 0.325 4.835 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.580 -0.758 5.577 1.00 0.00 N ATOM 0 H HIS A 64 -2.080 -3.438 5.487 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.384 -1.112 3.811 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.790 -1.390 6.788 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.431 0.097 5.932 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.327 1.110 4.378 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.461 -2.232 6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.881 1.003 4.326 1.00 0.00 H new ATOM 926 N ILE A 65 1.024 -1.435 3.929 1.00 0.00 N ATOM 927 CA ILE A 65 2.473 -1.513 3.996 1.00 0.00 C ATOM 928 C ILE A 65 3.034 -0.150 4.409 1.00 0.00 C ATOM 929 O ILE A 65 3.277 0.708 3.561 1.00 0.00 O ATOM 930 CB ILE A 65 3.043 -2.039 2.677 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.635 -3.495 2.446 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.561 -1.853 2.623 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.694 -3.617 1.246 1.00 0.00 C ATOM 0 H ILE A 65 0.657 -1.073 3.049 1.00 0.00 H new ATOM 0 HA ILE A 65 2.781 -2.229 4.758 1.00 0.00 H new ATOM 0 HB ILE A 65 2.618 -1.453 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.524 -4.103 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.145 -3.885 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.941 -2.235 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.801 -0.793 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.024 -2.398 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.419 -4.662 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.795 -3.027 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.196 -3.249 0.351 1.00 0.00 H new ATOM 945 N LYS A 66 3.224 0.006 5.710 1.00 0.00 N ATOM 946 CA LYS A 66 3.751 1.250 6.246 1.00 0.00 C ATOM 947 C LYS A 66 5.089 1.563 5.572 1.00 0.00 C ATOM 948 O LYS A 66 5.800 0.655 5.144 1.00 0.00 O ATOM 949 CB LYS A 66 3.832 1.185 7.772 1.00 0.00 C ATOM 950 CG LYS A 66 2.892 2.207 8.415 1.00 0.00 C ATOM 951 CD LYS A 66 3.073 2.238 9.934 1.00 0.00 C ATOM 952 CE LYS A 66 1.735 2.461 10.641 1.00 0.00 C ATOM 953 NZ LYS A 66 1.945 3.101 11.959 1.00 0.00 N ATOM 0 H LYS A 66 3.023 -0.708 6.410 1.00 0.00 H new ATOM 0 HA LYS A 66 3.078 2.077 6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.572 0.182 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.856 1.375 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.087 3.197 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.859 1.959 8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.514 1.300 10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.768 3.032 10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.091 3.088 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.222 1.508 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.027 3.245 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.542 2.489 12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.415 4.020 11.828 1.00 0.00 H new ATOM 967 N VAL A 67 5.391 2.851 5.499 1.00 0.00 N ATOM 968 CA VAL A 67 6.631 3.295 4.884 1.00 0.00 C ATOM 969 C VAL A 67 7.446 4.088 5.907 1.00 0.00 C ATOM 970 O VAL A 67 7.031 5.162 6.340 1.00 0.00 O ATOM 971 CB VAL A 67 6.328 4.092 3.614 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.608 4.690 3.024 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.603 3.226 2.583 1.00 0.00 C ATOM 0 H VAL A 67 4.799 3.601 5.855 1.00 0.00 H new ATOM 0 HA VAL A 67 7.235 2.440 4.579 1.00 0.00 H new ATOM 0 HB VAL A 67 5.667 4.915 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.365 5.252 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.068 5.356 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.303 3.888 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.400 3.817 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.229 2.374 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.663 2.869 3.004 1.00 0.00 H new ATOM 983 N MET A 68 8.593 3.528 6.265 1.00 0.00 N ATOM 984 CA MET A 68 9.471 4.169 7.229 1.00 0.00 C ATOM 985 C MET A 68 10.421 5.150 6.538 1.00 0.00 C ATOM 986 O MET A 68 11.392 4.737 5.906 1.00 0.00 O ATOM 987 CB MET A 68 10.284 3.104 7.966 1.00 0.00 C ATOM 988 CG MET A 68 9.408 2.334 8.957 1.00 0.00 C ATOM 989 SD MET A 68 10.076 0.700 9.221 1.00 0.00 S ATOM 990 CE MET A 68 9.070 -0.234 8.081 1.00 0.00 C ATOM 0 H MET A 68 8.934 2.637 5.904 1.00 0.00 H new ATOM 0 HA MET A 68 8.857 4.725 7.938 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.720 2.411 7.246 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.111 3.575 8.496 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.356 2.872 9.904 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.390 2.262 8.575 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.148 -1.296 8.313 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.031 0.082 8.170 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.416 -0.059 7.062 1.00 0.00 H new ATOM 1000 N CYS A 69 10.107 6.429 6.682 1.00 0.00 N ATOM 1001 CA CYS A 69 10.920 7.471 6.080 1.00 0.00 C ATOM 1002 C CYS A 69 12.029 7.844 7.065 1.00 0.00 C ATOM 1003 O CYS A 69 11.829 8.684 7.942 1.00 0.00 O ATOM 1004 CB CYS A 69 10.079 8.685 5.680 1.00 0.00 C ATOM 1005 SG CYS A 69 9.118 9.282 7.119 1.00 0.00 S ATOM 0 H CYS A 69 9.300 6.767 7.207 1.00 0.00 H new ATOM 0 HA CYS A 69 11.365 7.101 5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.726 9.480 5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.404 8.418 4.867 1.00 0.00 H new ATOM 0 HG CYS A 69 8.274 10.191 6.730 1.00 0.00 H new ATOM 1011 N GLU A 70 13.175 7.203 6.888 1.00 0.00 N ATOM 1012 CA GLU A 70 14.316 7.457 7.751 1.00 0.00 C ATOM 1013 C GLU A 70 15.552 7.788 6.913 1.00 0.00 C ATOM 1014 O GLU A 70 15.780 7.179 5.869 1.00 0.00 O ATOM 1015 CB GLU A 70 14.582 6.266 8.674 1.00 0.00 C ATOM 1016 CG GLU A 70 14.934 5.015 7.866 1.00 0.00 C ATOM 1017 CD GLU A 70 16.365 4.559 8.159 1.00 0.00 C ATOM 1018 OE1 GLU A 70 16.572 4.012 9.264 1.00 0.00 O ATOM 1019 OE2 GLU A 70 17.220 4.767 7.271 1.00 0.00 O ATOM 0 H GLU A 70 13.338 6.508 6.159 1.00 0.00 H new ATOM 0 HA GLU A 70 14.086 8.317 8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.398 6.505 9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.701 6.072 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.236 4.213 8.107 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.825 5.222 6.801 1.00 0.00 H new ATOM 1026 N GLY A 71 16.319 8.752 7.401 1.00 0.00 N ATOM 1027 CA GLY A 71 17.526 9.171 6.710 1.00 0.00 C ATOM 1028 C GLY A 71 17.225 9.545 5.258 1.00 0.00 C ATOM 1029 O GLY A 71 17.927 9.116 4.344 1.00 0.00 O ATOM 0 H GLY A 71 16.127 9.255 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.966 10.025 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.262 8.368 6.737 1.00 0.00 H new ATOM 1033 N GLY A 72 16.178 10.341 5.090 1.00 0.00 N ATOM 1034 CA GLY A 72 15.775 10.777 3.764 1.00 0.00 C ATOM 1035 C GLY A 72 15.582 9.582 2.828 1.00 0.00 C ATOM 1036 O GLY A 72 15.687 9.719 1.611 1.00 0.00 O ATOM 0 H GLY A 72 15.597 10.695 5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.847 11.345 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.530 11.447 3.353 1.00 0.00 H new ATOM 1040 N ARG A 73 15.303 8.437 3.433 1.00 0.00 N ATOM 1041 CA ARG A 73 15.094 7.218 2.670 1.00 0.00 C ATOM 1042 C ARG A 73 13.825 6.506 3.143 1.00 0.00 C ATOM 1043 O ARG A 73 13.443 6.620 4.307 1.00 0.00 O ATOM 1044 CB ARG A 73 16.286 6.270 2.809 1.00 0.00 C ATOM 1045 CG ARG A 73 17.347 6.563 1.747 1.00 0.00 C ATOM 1046 CD ARG A 73 18.724 6.069 2.197 1.00 0.00 C ATOM 1047 NE ARG A 73 19.532 5.681 1.019 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.612 4.890 1.077 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.021 4.399 2.254 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.284 4.591 -0.044 1.00 0.00 N ATOM 0 H ARG A 73 15.217 8.327 4.443 1.00 0.00 H new ATOM 0 HA ARG A 73 14.988 7.497 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.723 6.373 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 73 15.947 5.238 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.072 6.080 0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.387 7.635 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.235 6.852 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.613 5.218 2.868 1.00 0.00 H new ATOM 0 HE ARG A 73 19.249 6.038 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.510 4.627 3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.843 3.797 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 73 20.973 4.966 -0.940 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.106 3.989 -0.000 1.00 0.00 H new ATOM 1064 N TYR A 74 13.208 5.786 2.218 1.00 0.00 N ATOM 1065 CA TYR A 74 11.991 5.055 2.526 1.00 0.00 C ATOM 1066 C TYR A 74 12.253 3.548 2.572 1.00 0.00 C ATOM 1067 O TYR A 74 13.056 3.031 1.797 1.00 0.00 O ATOM 1068 CB TYR A 74 11.017 5.357 1.386 1.00 0.00 C ATOM 1069 CG TYR A 74 10.639 6.835 1.266 1.00 0.00 C ATOM 1070 CD1 TYR A 74 10.141 7.511 2.361 1.00 0.00 C ATOM 1071 CD2 TYR A 74 10.796 7.492 0.062 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.785 8.902 2.248 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.440 8.882 -0.051 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.952 9.519 1.047 1.00 0.00 C ATOM 1075 OH TYR A 74 9.616 10.832 0.940 1.00 0.00 O ATOM 0 H TYR A 74 13.529 5.693 1.254 1.00 0.00 H new ATOM 0 HA TYR A 74 11.600 5.353 3.499 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.461 5.028 0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.110 4.771 1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.018 6.997 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.186 6.963 -0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.394 9.443 3.097 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.558 9.408 -0.987 1.00 0.00 H new ATOM 0 HH TYR A 74 9.789 11.141 0.026 1.00 0.00 H new ATOM 1085 N THR A 75 11.561 2.887 3.487 1.00 0.00 N ATOM 1086 CA THR A 75 11.708 1.450 3.644 1.00 0.00 C ATOM 1087 C THR A 75 10.453 0.851 4.281 1.00 0.00 C ATOM 1088 O THR A 75 9.791 1.503 5.088 1.00 0.00 O ATOM 1089 CB THR A 75 12.982 1.191 4.450 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.870 -0.173 4.847 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.006 1.962 5.771 1.00 0.00 C ATOM 0 H THR A 75 10.896 3.320 4.128 1.00 0.00 H new ATOM 0 HA THR A 75 11.811 0.955 2.678 1.00 0.00 H new ATOM 0 HB THR A 75 13.851 1.466 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.764 -0.569 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.931 1.742 6.304 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.948 3.032 5.569 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.155 1.662 6.383 1.00 0.00 H new ATOM 1099 N VAL A 76 10.163 -0.383 3.896 1.00 0.00 N ATOM 1100 CA VAL A 76 8.999 -1.077 4.420 1.00 0.00 C ATOM 1101 C VAL A 76 9.409 -1.899 5.643 1.00 0.00 C ATOM 1102 O VAL A 76 8.611 -2.672 6.171 1.00 0.00 O ATOM 1103 CB VAL A 76 8.355 -1.922 3.319 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.279 -1.145 2.004 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.104 -3.243 3.133 1.00 0.00 C ATOM 0 H VAL A 76 10.714 -0.920 3.227 1.00 0.00 H new ATOM 0 HA VAL A 76 8.243 -0.363 4.747 1.00 0.00 H new ATOM 0 HB VAL A 76 7.336 -2.155 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.817 -1.769 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.681 -0.245 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.284 -0.867 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.626 -3.825 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.138 -3.039 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.082 -3.808 4.065 1.00 0.00 H new ATOM 1115 N GLY A 77 10.652 -1.705 6.058 1.00 0.00 N ATOM 1116 CA GLY A 77 11.177 -2.419 7.209 1.00 0.00 C ATOM 1117 C GLY A 77 12.332 -3.337 6.805 1.00 0.00 C ATOM 1118 O GLY A 77 12.907 -4.026 7.647 1.00 0.00 O ATOM 0 H GLY A 77 11.311 -1.063 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.520 -1.706 7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.384 -3.008 7.669 1.00 0.00 H new ATOM 1122 N GLY A 78 12.638 -3.318 5.516 1.00 0.00 N ATOM 1123 CA GLY A 78 13.714 -4.140 4.989 1.00 0.00 C ATOM 1124 C GLY A 78 15.036 -3.371 4.977 1.00 0.00 C ATOM 1125 O GLY A 78 15.073 -2.188 5.313 1.00 0.00 O ATOM 0 H GLY A 78 12.159 -2.746 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.818 -5.040 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.468 -4.463 3.977 1.00 0.00 H new ATOM 1129 N LEU A 79 16.089 -4.073 4.585 1.00 0.00 N ATOM 1130 CA LEU A 79 17.410 -3.471 4.525 1.00 0.00 C ATOM 1131 C LEU A 79 17.473 -2.510 3.336 1.00 0.00 C ATOM 1132 O LEU A 79 18.208 -1.524 3.368 1.00 0.00 O ATOM 1133 CB LEU A 79 18.491 -4.553 4.499 1.00 0.00 C ATOM 1134 CG LEU A 79 19.583 -4.436 5.566 1.00 0.00 C ATOM 1135 CD1 LEU A 79 20.151 -5.810 5.922 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.676 -3.460 5.126 1.00 0.00 C ATOM 0 H LEU A 79 16.054 -5.053 4.306 1.00 0.00 H new ATOM 0 HA LEU A 79 17.602 -2.883 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.008 -5.524 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.966 -4.541 3.518 1.00 0.00 H new ATOM 0 HG LEU A 79 19.134 -4.029 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.925 -5.698 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 79 19.353 -6.445 6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.581 -6.268 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.439 -3.395 5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.129 -3.814 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.240 -2.475 4.963 1.00 0.00 H new ATOM 1148 N GLU A 80 16.694 -2.832 2.314 1.00 0.00 N ATOM 1149 CA GLU A 80 16.652 -2.009 1.116 1.00 0.00 C ATOM 1150 C GLU A 80 15.903 -0.705 1.394 1.00 0.00 C ATOM 1151 O GLU A 80 14.944 -0.688 2.164 1.00 0.00 O ATOM 1152 CB GLU A 80 16.016 -2.770 -0.049 1.00 0.00 C ATOM 1153 CG GLU A 80 16.710 -4.115 -0.270 1.00 0.00 C ATOM 1154 CD GLU A 80 16.531 -4.594 -1.712 1.00 0.00 C ATOM 1155 OE1 GLU A 80 17.380 -4.212 -2.546 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.549 -5.331 -1.948 1.00 0.00 O ATOM 0 H GLU A 80 16.087 -3.651 2.290 1.00 0.00 H new ATOM 0 HA GLU A 80 17.675 -1.763 0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.957 -2.932 0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.079 -2.171 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.772 -4.022 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.301 -4.856 0.417 1.00 0.00 H new ATOM 1163 N THR A 81 16.369 0.356 0.753 1.00 0.00 N ATOM 1164 CA THR A 81 15.755 1.662 0.921 1.00 0.00 C ATOM 1165 C THR A 81 15.532 2.326 -0.439 1.00 0.00 C ATOM 1166 O THR A 81 15.776 1.716 -1.479 1.00 0.00 O ATOM 1167 CB THR A 81 16.641 2.484 1.860 1.00 0.00 C ATOM 1168 OG1 THR A 81 17.968 2.095 1.514 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.497 2.058 3.322 1.00 0.00 C ATOM 0 H THR A 81 17.165 0.338 0.116 1.00 0.00 H new ATOM 0 HA THR A 81 14.767 1.579 1.373 1.00 0.00 H new ATOM 0 HB THR A 81 16.391 3.540 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.608 2.582 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.147 2.672 3.946 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.462 2.187 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.780 1.010 3.425 1.00 0.00 H new ATOM 1177 N PHE A 82 15.071 3.567 -0.388 1.00 0.00 N ATOM 1178 CA PHE A 82 14.813 4.321 -1.603 1.00 0.00 C ATOM 1179 C PHE A 82 14.748 5.822 -1.314 1.00 0.00 C ATOM 1180 O PHE A 82 14.630 6.231 -0.160 1.00 0.00 O ATOM 1181 CB PHE A 82 13.456 3.857 -2.136 1.00 0.00 C ATOM 1182 CG PHE A 82 13.300 2.337 -2.205 1.00 0.00 C ATOM 1183 CD1 PHE A 82 12.884 1.645 -1.110 1.00 0.00 C ATOM 1184 CD2 PHE A 82 13.579 1.676 -3.361 1.00 0.00 C ATOM 1185 CE1 PHE A 82 12.740 0.234 -1.174 1.00 0.00 C ATOM 1186 CE2 PHE A 82 13.435 0.265 -3.424 1.00 0.00 C ATOM 1187 CZ PHE A 82 13.019 -0.426 -2.330 1.00 0.00 C ATOM 0 H PHE A 82 14.869 4.070 0.476 1.00 0.00 H new ATOM 0 HA PHE A 82 15.613 4.152 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.669 4.264 -1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.308 4.273 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.663 2.169 -0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.910 2.225 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.409 -0.315 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 82 13.656 -0.260 -4.342 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.910 -1.499 -2.379 1.00 0.00 H new ATOM 1197 N ASP A 83 14.828 6.601 -2.383 1.00 0.00 N ATOM 1198 CA ASP A 83 14.780 8.048 -2.258 1.00 0.00 C ATOM 1199 C ASP A 83 13.348 8.529 -2.499 1.00 0.00 C ATOM 1200 O ASP A 83 12.862 9.418 -1.801 1.00 0.00 O ATOM 1201 CB ASP A 83 15.685 8.720 -3.293 1.00 0.00 C ATOM 1202 CG ASP A 83 17.185 8.594 -3.020 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.608 7.466 -2.689 1.00 0.00 O ATOM 1204 OD2 ASP A 83 17.874 9.629 -3.148 1.00 0.00 O ATOM 0 H ASP A 83 14.926 6.258 -3.339 1.00 0.00 H new ATOM 0 HA ASP A 83 15.119 8.312 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.472 8.291 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.428 9.778 -3.345 1.00 0.00 H new ATOM 1209 N SER A 84 12.712 7.921 -3.489 1.00 0.00 N ATOM 1210 CA SER A 84 11.345 8.276 -3.831 1.00 0.00 C ATOM 1211 C SER A 84 10.456 7.031 -3.794 1.00 0.00 C ATOM 1212 O SER A 84 10.916 5.927 -4.082 1.00 0.00 O ATOM 1213 CB SER A 84 11.276 8.937 -5.209 1.00 0.00 C ATOM 1214 OG SER A 84 12.120 8.288 -6.156 1.00 0.00 O ATOM 0 H SER A 84 13.118 7.184 -4.066 1.00 0.00 H new ATOM 0 HA SER A 84 10.984 8.994 -3.095 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.247 8.919 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.566 9.984 -5.123 1.00 0.00 H new ATOM 0 HG SER A 84 12.046 8.739 -7.023 1.00 0.00 H new ATOM 1220 N LEU A 85 9.199 7.251 -3.438 1.00 0.00 N ATOM 1221 CA LEU A 85 8.242 6.161 -3.359 1.00 0.00 C ATOM 1222 C LEU A 85 8.195 5.432 -4.704 1.00 0.00 C ATOM 1223 O LEU A 85 7.844 4.254 -4.763 1.00 0.00 O ATOM 1224 CB LEU A 85 6.879 6.677 -2.892 1.00 0.00 C ATOM 1225 CG LEU A 85 6.619 6.615 -1.385 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.281 5.189 -0.946 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.800 7.192 -0.601 1.00 0.00 C ATOM 0 H LEU A 85 8.821 8.168 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 85 8.555 5.433 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.774 7.712 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.103 6.104 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 85 5.751 7.235 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.101 5.172 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.387 4.849 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.114 4.528 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.590 7.136 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.700 6.619 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.953 8.233 -0.887 1.00 0.00 H new ATOM 1239 N THR A 86 8.554 6.162 -5.750 1.00 0.00 N ATOM 1240 CA THR A 86 8.557 5.599 -7.089 1.00 0.00 C ATOM 1241 C THR A 86 9.605 4.489 -7.199 1.00 0.00 C ATOM 1242 O THR A 86 9.297 3.381 -7.635 1.00 0.00 O ATOM 1243 CB THR A 86 8.777 6.742 -8.082 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.530 7.432 -8.098 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.947 6.245 -9.519 1.00 0.00 C ATOM 0 H THR A 86 8.845 7.138 -5.697 1.00 0.00 H new ATOM 0 HA THR A 86 7.603 5.126 -7.321 1.00 0.00 H new ATOM 0 HB THR A 86 9.658 7.313 -7.789 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.952 7.079 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.100 7.096 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.810 5.582 -9.575 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.052 5.703 -9.825 1.00 0.00 H new ATOM 1253 N ASP A 87 10.821 4.826 -6.796 1.00 0.00 N ATOM 1254 CA ASP A 87 11.916 3.872 -6.843 1.00 0.00 C ATOM 1255 C ASP A 87 11.633 2.728 -5.868 1.00 0.00 C ATOM 1256 O ASP A 87 12.295 1.692 -5.912 1.00 0.00 O ATOM 1257 CB ASP A 87 13.236 4.528 -6.432 1.00 0.00 C ATOM 1258 CG ASP A 87 14.459 4.079 -7.234 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.419 2.935 -7.738 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.407 4.888 -7.325 1.00 0.00 O ATOM 0 H ASP A 87 11.072 5.746 -6.435 1.00 0.00 H new ATOM 0 HA ASP A 87 11.999 3.504 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.133 5.609 -6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.415 4.319 -5.377 1.00 0.00 H new ATOM 1265 N LEU A 88 10.647 2.953 -5.012 1.00 0.00 N ATOM 1266 CA LEU A 88 10.268 1.954 -4.028 1.00 0.00 C ATOM 1267 C LEU A 88 9.135 1.094 -4.591 1.00 0.00 C ATOM 1268 O LEU A 88 9.245 -0.130 -4.639 1.00 0.00 O ATOM 1269 CB LEU A 88 9.930 2.618 -2.692 1.00 0.00 C ATOM 1270 CG LEU A 88 9.730 1.674 -1.504 1.00 0.00 C ATOM 1271 CD1 LEU A 88 10.125 2.354 -0.192 1.00 0.00 C ATOM 1272 CD2 LEU A 88 8.298 1.139 -1.464 1.00 0.00 C ATOM 0 H LEU A 88 10.099 3.813 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 88 11.104 1.286 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.729 3.317 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.021 3.205 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 88 10.390 0.816 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.973 1.662 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.175 2.645 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.509 3.240 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.183 0.471 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.601 1.972 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.088 0.593 -2.383 1.00 0.00 H new ATOM 1284 N VAL A 89 8.072 1.768 -5.004 1.00 0.00 N ATOM 1285 CA VAL A 89 6.920 1.081 -5.562 1.00 0.00 C ATOM 1286 C VAL A 89 7.350 0.303 -6.807 1.00 0.00 C ATOM 1287 O VAL A 89 7.064 -0.888 -6.929 1.00 0.00 O ATOM 1288 CB VAL A 89 5.798 2.083 -5.842 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.861 1.566 -6.935 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.023 2.409 -4.564 1.00 0.00 C ATOM 0 H VAL A 89 7.984 2.783 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 89 6.523 0.359 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 89 6.254 3.005 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.073 2.297 -7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.426 1.408 -7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.416 0.623 -6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.231 3.123 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.584 1.496 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.701 2.840 -3.827 1.00 0.00 H new ATOM 1300 N GLU A 90 8.030 1.006 -7.701 1.00 0.00 N ATOM 1301 CA GLU A 90 8.502 0.396 -8.932 1.00 0.00 C ATOM 1302 C GLU A 90 9.456 -0.759 -8.620 1.00 0.00 C ATOM 1303 O GLU A 90 9.689 -1.621 -9.465 1.00 0.00 O ATOM 1304 CB GLU A 90 9.172 1.432 -9.836 1.00 0.00 C ATOM 1305 CG GLU A 90 8.134 2.358 -10.473 1.00 0.00 C ATOM 1306 CD GLU A 90 8.401 2.534 -11.969 1.00 0.00 C ATOM 1307 OE1 GLU A 90 8.940 1.577 -12.566 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.059 3.621 -12.482 1.00 0.00 O ATOM 0 H GLU A 90 8.265 1.993 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 90 7.642 -0.004 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.882 2.021 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.740 0.926 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.135 1.948 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.156 3.329 -9.979 1.00 0.00 H new ATOM 1315 N HIS A 91 9.982 -0.737 -7.404 1.00 0.00 N ATOM 1316 CA HIS A 91 10.906 -1.772 -6.970 1.00 0.00 C ATOM 1317 C HIS A 91 10.120 -2.998 -6.503 1.00 0.00 C ATOM 1318 O HIS A 91 10.343 -4.106 -6.990 1.00 0.00 O ATOM 1319 CB HIS A 91 11.859 -1.235 -5.900 1.00 0.00 C ATOM 1320 CG HIS A 91 12.498 -2.309 -5.053 1.00 0.00 C ATOM 1321 ND1 HIS A 91 13.776 -2.786 -5.286 1.00 0.00 N ATOM 1322 CD2 HIS A 91 12.023 -2.992 -3.972 1.00 0.00 C ATOM 1323 CE1 HIS A 91 14.047 -3.715 -4.380 1.00 0.00 C ATOM 1324 NE2 HIS A 91 12.959 -3.841 -3.567 1.00 0.00 N ATOM 0 H HIS A 91 9.786 -0.019 -6.706 1.00 0.00 H new ATOM 0 HA HIS A 91 11.531 -2.082 -7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.644 -0.654 -6.385 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.312 -0.552 -5.250 1.00 0.00 H new ATOM 0 HD2 HIS A 91 11.050 -2.864 -3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.968 -4.274 -4.300 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.878 -4.482 -2.778 1.00 0.00 H new ATOM 1332 N PHE A 92 9.216 -2.760 -5.564 1.00 0.00 N ATOM 1333 CA PHE A 92 8.395 -3.831 -5.026 1.00 0.00 C ATOM 1334 C PHE A 92 7.286 -4.218 -6.006 1.00 0.00 C ATOM 1335 O PHE A 92 6.570 -5.194 -5.786 1.00 0.00 O ATOM 1336 CB PHE A 92 7.761 -3.305 -3.737 1.00 0.00 C ATOM 1337 CG PHE A 92 8.718 -3.263 -2.544 1.00 0.00 C ATOM 1338 CD1 PHE A 92 9.002 -4.403 -1.860 1.00 0.00 C ATOM 1339 CD2 PHE A 92 9.285 -2.085 -2.169 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.890 -4.364 -0.753 1.00 0.00 C ATOM 1341 CE2 PHE A 92 10.173 -2.046 -1.061 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.457 -3.186 -0.377 1.00 0.00 C ATOM 0 H PHE A 92 9.034 -1.840 -5.162 1.00 0.00 H new ATOM 0 HA PHE A 92 9.008 -4.714 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.377 -2.301 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.907 -3.932 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.552 -5.338 -2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.060 -1.180 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.115 -5.270 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.623 -1.111 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.133 -3.156 0.465 1.00 0.00 H new ATOM 1352 N LYS A 93 7.177 -3.432 -7.067 1.00 0.00 N ATOM 1353 CA LYS A 93 6.167 -3.679 -8.081 1.00 0.00 C ATOM 1354 C LYS A 93 6.455 -5.017 -8.766 1.00 0.00 C ATOM 1355 O LYS A 93 5.584 -5.580 -9.428 1.00 0.00 O ATOM 1356 CB LYS A 93 6.080 -2.499 -9.051 1.00 0.00 C ATOM 1357 CG LYS A 93 4.801 -1.691 -8.818 1.00 0.00 C ATOM 1358 CD LYS A 93 4.681 -0.552 -9.832 1.00 0.00 C ATOM 1359 CE LYS A 93 4.535 -1.097 -11.254 1.00 0.00 C ATOM 1360 NZ LYS A 93 4.121 -0.020 -12.182 1.00 0.00 N ATOM 0 H LYS A 93 7.772 -2.623 -7.246 1.00 0.00 H new ATOM 0 HA LYS A 93 5.181 -3.759 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.950 -1.854 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.101 -2.865 -10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.933 -2.346 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.803 -1.284 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.819 0.069 -9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.562 0.087 -9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.481 -1.526 -11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.798 -1.900 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.027 -0.407 -13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.208 0.371 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.838 0.734 -12.181 1.00 0.00 H new ATOM 1374 N LYS A 94 7.679 -5.488 -8.582 1.00 0.00 N ATOM 1375 CA LYS A 94 8.093 -6.749 -9.174 1.00 0.00 C ATOM 1376 C LYS A 94 8.367 -7.764 -8.062 1.00 0.00 C ATOM 1377 O LYS A 94 7.696 -8.791 -7.975 1.00 0.00 O ATOM 1378 CB LYS A 94 9.278 -6.535 -10.117 1.00 0.00 C ATOM 1379 CG LYS A 94 10.027 -5.247 -9.773 1.00 0.00 C ATOM 1380 CD LYS A 94 11.120 -4.956 -10.803 1.00 0.00 C ATOM 1381 CE LYS A 94 12.419 -4.527 -10.118 1.00 0.00 C ATOM 1382 NZ LYS A 94 13.587 -5.132 -10.797 1.00 0.00 N ATOM 0 H LYS A 94 8.398 -5.019 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 94 7.294 -7.160 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.958 -7.384 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.924 -6.490 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.326 -4.413 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.471 -5.334 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.300 -5.844 -11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.786 -4.171 -11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.504 -3.440 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.402 -4.830 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.461 -4.831 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.512 -6.169 -10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.610 -4.822 -11.790 1.00 0.00 H new ATOM 1396 N THR A 95 9.354 -7.440 -7.239 1.00 0.00 N ATOM 1397 CA THR A 95 9.725 -8.310 -6.136 1.00 0.00 C ATOM 1398 C THR A 95 8.500 -8.637 -5.280 1.00 0.00 C ATOM 1399 O THR A 95 8.473 -9.657 -4.592 1.00 0.00 O ATOM 1400 CB THR A 95 10.849 -7.628 -5.354 1.00 0.00 C ATOM 1401 OG1 THR A 95 10.227 -6.480 -4.783 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.931 -7.050 -6.267 1.00 0.00 C ATOM 0 H THR A 95 9.908 -6.587 -7.314 1.00 0.00 H new ATOM 0 HA THR A 95 10.096 -9.270 -6.496 1.00 0.00 H new ATOM 0 HB THR A 95 11.299 -8.344 -4.667 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.815 -5.703 -4.887 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.704 -6.578 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.373 -7.851 -6.860 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.488 -6.309 -6.932 1.00 0.00 H new ATOM 1410 N GLY A 96 7.516 -7.753 -5.349 1.00 0.00 N ATOM 1411 CA GLY A 96 6.291 -7.935 -4.589 1.00 0.00 C ATOM 1412 C GLY A 96 6.540 -7.736 -3.093 1.00 0.00 C ATOM 1413 O GLY A 96 7.618 -7.301 -2.692 1.00 0.00 O ATOM 0 H GLY A 96 7.542 -6.908 -5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.537 -7.227 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.894 -8.935 -4.766 1.00 0.00 H new ATOM 1417 N ILE A 97 5.524 -8.064 -2.307 1.00 0.00 N ATOM 1418 CA ILE A 97 5.619 -7.927 -0.864 1.00 0.00 C ATOM 1419 C ILE A 97 5.191 -9.238 -0.202 1.00 0.00 C ATOM 1420 O ILE A 97 4.439 -10.016 -0.787 1.00 0.00 O ATOM 1421 CB ILE A 97 4.825 -6.709 -0.388 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.466 -5.409 -0.880 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.654 -6.725 1.132 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.400 -4.364 -1.214 1.00 0.00 C ATOM 0 H ILE A 97 4.631 -8.424 -2.643 1.00 0.00 H new ATOM 0 HA ILE A 97 6.651 -7.742 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 97 3.827 -6.761 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.137 -5.018 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.073 -5.610 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.086 -5.848 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.120 -7.628 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.634 -6.711 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.882 -3.450 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.746 -4.749 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.811 -4.147 -0.323 1.00 0.00 H new ATOM 1436 N GLU A 98 5.688 -9.442 1.009 1.00 0.00 N ATOM 1437 CA GLU A 98 5.366 -10.645 1.757 1.00 0.00 C ATOM 1438 C GLU A 98 4.597 -10.289 3.031 1.00 0.00 C ATOM 1439 O GLU A 98 5.020 -9.420 3.793 1.00 0.00 O ATOM 1440 CB GLU A 98 6.630 -11.442 2.085 1.00 0.00 C ATOM 1441 CG GLU A 98 6.298 -12.678 2.923 1.00 0.00 C ATOM 1442 CD GLU A 98 7.519 -13.147 3.717 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.451 -13.670 3.068 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.493 -12.971 4.954 1.00 0.00 O ATOM 0 H GLU A 98 6.311 -8.794 1.491 1.00 0.00 H new ATOM 0 HA GLU A 98 4.729 -11.275 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.122 -11.746 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.333 -10.809 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.481 -12.449 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.953 -13.481 2.272 1.00 0.00 H new ATOM 1451 N GLU A 99 3.482 -10.978 3.223 1.00 0.00 N ATOM 1452 CA GLU A 99 2.650 -10.744 4.391 1.00 0.00 C ATOM 1453 C GLU A 99 3.207 -11.502 5.599 1.00 0.00 C ATOM 1454 O GLU A 99 4.282 -12.095 5.522 1.00 0.00 O ATOM 1455 CB GLU A 99 1.197 -11.140 4.118 1.00 0.00 C ATOM 1456 CG GLU A 99 0.431 -9.992 3.458 1.00 0.00 C ATOM 1457 CD GLU A 99 -0.989 -9.888 4.016 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.117 -9.949 5.258 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.916 -9.750 3.189 1.00 0.00 O ATOM 0 H GLU A 99 3.135 -11.698 2.590 1.00 0.00 H new ATOM 0 HA GLU A 99 2.665 -9.678 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.171 -12.018 3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.710 -11.417 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.960 -9.054 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.391 -10.149 2.380 1.00 0.00 H new ATOM 1466 N ALA A 100 2.450 -11.457 6.685 1.00 0.00 N ATOM 1467 CA ALA A 100 2.854 -12.131 7.907 1.00 0.00 C ATOM 1468 C ALA A 100 2.205 -13.516 7.959 1.00 0.00 C ATOM 1469 O ALA A 100 2.720 -14.422 8.612 1.00 0.00 O ATOM 1470 CB ALA A 100 2.482 -11.267 9.114 1.00 0.00 C ATOM 0 H ALA A 100 1.559 -10.964 6.744 1.00 0.00 H new ATOM 0 HA ALA A 100 3.935 -12.272 7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.785 -11.773 10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.991 -10.306 9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.404 -11.106 9.128 1.00 0.00 H new ATOM 1476 N SER A 101 1.085 -13.635 7.262 1.00 0.00 N ATOM 1477 CA SER A 101 0.360 -14.894 7.221 1.00 0.00 C ATOM 1478 C SER A 101 1.144 -15.922 6.403 1.00 0.00 C ATOM 1479 O SER A 101 0.773 -17.094 6.353 1.00 0.00 O ATOM 1480 CB SER A 101 -1.040 -14.705 6.633 1.00 0.00 C ATOM 1481 OG SER A 101 -1.100 -13.593 5.744 1.00 0.00 O ATOM 0 H SER A 101 0.662 -12.881 6.721 1.00 0.00 H new ATOM 0 HA SER A 101 0.250 -15.258 8.242 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.335 -15.610 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.757 -14.562 7.442 1.00 0.00 H new ATOM 0 HG SER A 101 -2.009 -13.507 5.389 1.00 0.00 H new ATOM 1487 N GLY A 102 2.214 -15.447 5.783 1.00 0.00 N ATOM 1488 CA GLY A 102 3.053 -16.310 4.970 1.00 0.00 C ATOM 1489 C GLY A 102 2.701 -16.179 3.487 1.00 0.00 C ATOM 1490 O GLY A 102 3.338 -16.799 2.636 1.00 0.00 O ATOM 0 H GLY A 102 2.519 -14.475 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.101 -16.053 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.930 -17.346 5.286 1.00 0.00 H new ATOM 1494 N ALA A 103 1.687 -15.369 3.222 1.00 0.00 N ATOM 1495 CA ALA A 103 1.242 -15.149 1.856 1.00 0.00 C ATOM 1496 C ALA A 103 1.993 -13.954 1.266 1.00 0.00 C ATOM 1497 O ALA A 103 2.420 -13.062 1.997 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.275 -14.950 1.839 1.00 0.00 C ATOM 0 H ALA A 103 1.161 -14.857 3.930 1.00 0.00 H new ATOM 0 HA ALA A 103 1.464 -16.017 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.609 -14.785 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.763 -15.838 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.535 -14.085 2.449 1.00 0.00 H new ATOM 1504 N PHE A 104 2.131 -13.975 -0.052 1.00 0.00 N ATOM 1505 CA PHE A 104 2.824 -12.904 -0.749 1.00 0.00 C ATOM 1506 C PHE A 104 1.835 -12.008 -1.497 1.00 0.00 C ATOM 1507 O PHE A 104 0.729 -12.436 -1.825 1.00 0.00 O ATOM 1508 CB PHE A 104 3.763 -13.563 -1.760 1.00 0.00 C ATOM 1509 CG PHE A 104 5.191 -13.761 -1.247 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.473 -14.787 -0.400 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.178 -12.911 -1.638 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.798 -14.970 0.077 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.503 -13.094 -1.161 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.785 -14.120 -0.314 1.00 0.00 C ATOM 0 H PHE A 104 1.775 -14.716 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 104 3.366 -12.284 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.352 -14.532 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.794 -12.953 -2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.689 -15.463 -0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.954 -12.097 -2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.022 -15.784 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.287 -12.418 -1.471 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.793 -14.260 0.048 1.00 0.00 H new ATOM 1524 N VAL A 105 2.269 -10.781 -1.745 1.00 0.00 N ATOM 1525 CA VAL A 105 1.436 -9.821 -2.449 1.00 0.00 C ATOM 1526 C VAL A 105 2.244 -9.184 -3.581 1.00 0.00 C ATOM 1527 O VAL A 105 3.471 -9.124 -3.515 1.00 0.00 O ATOM 1528 CB VAL A 105 0.875 -8.794 -1.463 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.072 -7.715 -2.194 1.00 0.00 C ATOM 1530 CG2 VAL A 105 0.027 -9.473 -0.387 1.00 0.00 C ATOM 0 H VAL A 105 3.187 -10.430 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 105 0.579 -10.319 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 105 1.717 -8.309 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.316 -6.998 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.718 -7.200 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.759 -8.178 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.359 -8.720 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.805 -9.997 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.640 -10.186 0.163 1.00 0.00 H new ATOM 1540 N TYR A 106 1.524 -8.723 -4.593 1.00 0.00 N ATOM 1541 CA TYR A 106 2.159 -8.093 -5.738 1.00 0.00 C ATOM 1542 C TYR A 106 1.370 -6.864 -6.195 1.00 0.00 C ATOM 1543 O TYR A 106 0.140 -6.872 -6.182 1.00 0.00 O ATOM 1544 CB TYR A 106 2.145 -9.137 -6.856 1.00 0.00 C ATOM 1545 CG TYR A 106 2.707 -10.499 -6.442 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.060 -10.750 -6.553 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.862 -11.476 -5.957 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.589 -12.031 -6.164 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.391 -12.757 -5.568 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.728 -12.972 -5.690 1.00 0.00 C ATOM 1551 OH TYR A 106 4.228 -14.182 -5.323 1.00 0.00 O ATOM 0 H TYR A 106 0.507 -8.773 -4.644 1.00 0.00 H new ATOM 0 HA TYR A 106 3.167 -7.765 -5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.120 -9.269 -7.204 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.722 -8.759 -7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.722 -9.985 -6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.804 -11.280 -5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.645 -12.240 -6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.740 -13.530 -5.188 1.00 0.00 H new ATOM 0 HH TYR A 106 3.499 -14.754 -5.003 1.00 0.00 H new ATOM 1561 N LEU A 107 2.110 -5.838 -6.587 1.00 0.00 N ATOM 1562 CA LEU A 107 1.495 -4.604 -7.047 1.00 0.00 C ATOM 1563 C LEU A 107 1.309 -4.667 -8.565 1.00 0.00 C ATOM 1564 O LEU A 107 2.101 -4.098 -9.315 1.00 0.00 O ATOM 1565 CB LEU A 107 2.304 -3.394 -6.576 1.00 0.00 C ATOM 1566 CG LEU A 107 2.745 -3.411 -5.111 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.991 -4.278 -4.924 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.950 -1.989 -4.584 1.00 0.00 C ATOM 0 H LEU A 107 3.130 -5.835 -6.596 1.00 0.00 H new ATOM 0 HA LEU A 107 0.504 -4.486 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.193 -3.311 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.710 -2.496 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 107 1.948 -3.861 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.283 -4.273 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.773 -5.300 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.805 -3.880 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.263 -2.029 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.718 -1.489 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.015 -1.434 -4.661 1.00 0.00 H new ATOM 1580 N ARG A 108 0.258 -5.363 -8.972 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.042 -5.508 -10.386 1.00 0.00 C ATOM 1582 C ARG A 108 -0.304 -4.138 -11.016 1.00 0.00 C ATOM 1583 O ARG A 108 0.369 -3.750 -11.970 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.264 -6.403 -10.602 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.884 -7.882 -10.501 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.840 -8.750 -11.323 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.069 -9.689 -12.169 1.00 0.00 N ATOM 1588 CZ ARG A 108 -0.552 -9.371 -13.364 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -0.718 -8.138 -13.860 1.00 0.00 N ATOM 1590 NH2 ARG A 108 0.133 -10.288 -14.062 1.00 0.00 N ATOM 0 H ARG A 108 -0.397 -5.833 -8.347 1.00 0.00 H new ATOM 0 HA ARG A 108 0.822 -5.972 -10.862 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.027 -6.168 -9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.699 -6.201 -11.581 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.137 -8.024 -10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.907 -8.197 -9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.502 -9.305 -10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.472 -8.119 -11.948 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.922 -10.636 -11.821 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.238 -7.440 -13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.324 -7.897 -14.769 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.260 -11.227 -13.684 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.527 -10.047 -14.972 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.284 -3.443 -10.456 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.643 -2.125 -10.951 1.00 0.00 C ATOM 1606 C GLN A 109 -2.011 -1.203 -9.787 1.00 0.00 C ATOM 1607 O GLN A 109 -2.586 -1.650 -8.795 1.00 0.00 O ATOM 1608 CB GLN A 109 -2.787 -2.213 -11.964 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.139 -2.316 -11.256 1.00 0.00 C ATOM 1610 CD GLN A 109 -5.007 -3.405 -11.890 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.717 -3.185 -12.858 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.912 -4.590 -11.292 1.00 0.00 N ATOM 0 H GLN A 109 -1.840 -3.768 -9.665 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.779 -1.703 -11.464 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.776 -1.334 -12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.642 -3.081 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.985 -2.537 -10.200 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.655 -1.357 -11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.299 -4.707 -10.485 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.453 -5.382 -11.640 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.656 0.099 -9.950 1.00 0.00 N ATOM 1622 CA PRO A 110 -1.943 1.087 -8.925 1.00 0.00 C ATOM 1623 C PRO A 110 -3.427 1.457 -8.920 1.00 0.00 C ATOM 1624 O PRO A 110 -4.169 1.074 -9.823 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.038 2.265 -9.249 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.621 2.083 -10.699 1.00 0.00 C ATOM 1627 CD PRO A 110 -0.974 0.663 -11.111 1.00 0.00 C ATOM 0 HA PRO A 110 -1.748 0.717 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.562 3.210 -9.109 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.169 2.282 -8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.133 2.804 -11.337 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.449 2.259 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.617 0.654 -11.991 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.081 0.090 -11.363 1.00 0.00 H new ATOM 1635 N TYR A 111 -3.816 2.198 -7.892 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.199 2.624 -7.758 1.00 0.00 C ATOM 1637 C TYR A 111 -5.387 4.049 -8.285 1.00 0.00 C ATOM 1638 O TYR A 111 -4.780 4.989 -7.774 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.503 2.603 -6.259 1.00 0.00 C ATOM 1640 CG TYR A 111 -6.974 2.853 -5.919 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -7.959 2.095 -6.519 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.315 3.835 -5.012 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.343 2.329 -6.198 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.699 4.069 -4.691 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.645 3.305 -5.301 1.00 0.00 C ATOM 1646 OH TYR A 111 -10.952 3.526 -4.998 1.00 0.00 O ATOM 0 H TYR A 111 -3.198 2.514 -7.145 1.00 0.00 H new ATOM 0 HA TYR A 111 -5.859 1.970 -8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.206 1.637 -5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.893 3.359 -5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.692 1.326 -7.229 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.544 4.428 -4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.124 1.742 -6.659 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -8.980 4.834 -3.982 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.422 2.669 -4.930 1.00 0.00 H new ATOM 1656 N TYR A 112 -6.231 4.163 -9.300 1.00 0.00 N ATOM 1657 CA TYR A 112 -6.507 5.457 -9.901 1.00 0.00 C ATOM 1658 C TYR A 112 -7.638 6.175 -9.162 1.00 0.00 C ATOM 1659 O TYR A 112 -7.594 7.392 -8.986 1.00 0.00 O ATOM 1660 CB TYR A 112 -6.955 5.168 -11.335 1.00 0.00 C ATOM 1661 CG TYR A 112 -5.800 4.934 -12.312 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -4.828 4.000 -12.020 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -5.732 5.658 -13.486 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -3.741 3.780 -12.939 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -4.646 5.437 -14.405 1.00 0.00 C ATOM 1666 CZ TYR A 112 -3.704 4.510 -14.086 1.00 0.00 C ATOM 1667 OH TYR A 112 -2.678 4.302 -14.955 1.00 0.00 O ATOM 0 H TYR A 112 -6.733 3.381 -9.721 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.625 6.096 -9.858 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.600 4.289 -11.333 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.556 6.004 -11.693 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.882 3.434 -11.102 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -6.493 6.389 -13.715 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.973 3.052 -12.722 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -4.581 5.995 -15.327 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.782 4.892 -15.731 1.00 0.00 H new ATOM 1677 N SER A 113 -8.623 5.392 -8.748 1.00 0.00 N ATOM 1678 CA SER A 113 -9.763 5.938 -8.032 1.00 0.00 C ATOM 1679 C SER A 113 -10.462 6.995 -8.889 1.00 0.00 C ATOM 1680 O SER A 113 -9.922 7.433 -9.904 1.00 0.00 O ATOM 1681 CB SER A 113 -9.335 6.539 -6.692 1.00 0.00 C ATOM 1682 OG SER A 113 -8.816 7.858 -6.840 1.00 0.00 O ATOM 0 H SER A 113 -8.655 4.383 -8.895 1.00 0.00 H new ATOM 0 HA SER A 113 -10.460 5.125 -7.829 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.189 6.559 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.579 5.901 -6.233 1.00 0.00 H new ATOM 0 HG SER A 113 -8.303 7.916 -7.673 1.00 0.00 H new ATOM 1688 N GLY A 114 -11.653 7.374 -8.449 1.00 0.00 N ATOM 1689 CA GLY A 114 -12.432 8.372 -9.163 1.00 0.00 C ATOM 1690 C GLY A 114 -12.864 9.503 -8.228 1.00 0.00 C ATOM 1691 O GLY A 114 -12.532 9.495 -7.044 1.00 0.00 O ATOM 0 H GLY A 114 -12.098 7.008 -7.607 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.842 8.780 -9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.312 7.904 -9.604 1.00 0.00 H new ATOM 1695 N PRO A 115 -13.617 10.474 -8.810 1.00 0.00 N ATOM 1696 CA PRO A 115 -14.098 11.610 -8.042 1.00 0.00 C ATOM 1697 C PRO A 115 -15.261 11.204 -7.134 1.00 0.00 C ATOM 1698 O PRO A 115 -15.160 11.297 -5.912 1.00 0.00 O ATOM 1699 CB PRO A 115 -14.489 12.649 -9.080 1.00 0.00 C ATOM 1700 CG PRO A 115 -14.651 11.892 -10.388 1.00 0.00 C ATOM 1701 CD PRO A 115 -14.029 10.517 -10.211 1.00 0.00 C ATOM 0 HA PRO A 115 -13.344 12.009 -7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -15.416 13.150 -8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.724 13.421 -9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -15.705 11.803 -10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -14.165 12.429 -11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.744 9.727 -10.438 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -13.178 10.378 -10.878 1.00 0.00 H new ATOM 1709 N SER A 116 -16.338 10.764 -7.767 1.00 0.00 N ATOM 1710 CA SER A 116 -17.519 10.344 -7.031 1.00 0.00 C ATOM 1711 C SER A 116 -17.341 8.909 -6.530 1.00 0.00 C ATOM 1712 O SER A 116 -16.646 8.111 -7.157 1.00 0.00 O ATOM 1713 CB SER A 116 -18.775 10.451 -7.898 1.00 0.00 C ATOM 1714 OG SER A 116 -19.220 11.798 -8.029 1.00 0.00 O ATOM 0 H SER A 116 -16.418 10.689 -8.781 1.00 0.00 H new ATOM 0 HA SER A 116 -17.643 11.008 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.570 10.039 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.570 9.847 -7.460 1.00 0.00 H new ATOM 0 HG SER A 116 -20.023 11.824 -8.591 1.00 0.00 H new ATOM 1720 N SER A 117 -17.980 8.625 -5.405 1.00 0.00 N ATOM 1721 CA SER A 117 -17.901 7.301 -4.813 1.00 0.00 C ATOM 1722 C SER A 117 -19.274 6.627 -4.853 1.00 0.00 C ATOM 1723 O SER A 117 -19.433 5.568 -5.459 1.00 0.00 O ATOM 1724 CB SER A 117 -17.386 7.370 -3.374 1.00 0.00 C ATOM 1725 OG SER A 117 -16.735 6.165 -2.981 1.00 0.00 O ATOM 0 H SER A 117 -18.555 9.290 -4.888 1.00 0.00 H new ATOM 0 HA SER A 117 -17.195 6.709 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.692 8.205 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 117 -18.219 7.568 -2.700 1.00 0.00 H new ATOM 0 HG SER A 117 -16.419 6.250 -2.057 1.00 0.00 H new ATOM 1731 N GLY A 118 -20.232 7.268 -4.200 1.00 0.00 N ATOM 1732 CA GLY A 118 -21.586 6.744 -4.153 1.00 0.00 C ATOM 1733 C GLY A 118 -22.603 7.868 -3.943 1.00 0.00 C ATOM 1734 O GLY A 118 -22.860 8.273 -2.810 1.00 0.00 O ATOM 0 H GLY A 118 -20.097 8.146 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -21.808 6.217 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.670 6.017 -3.345 1.00 0.00 H new TER 1738 GLY A 118