USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1109 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 105 HIS : no HE2:sc= -0.23 K(o=-2.3,f=-6.8!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -143:sc= -2.04! (180deg=-4.28!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 35:sc= 0.294 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -108:sc= 0.121 USER MOD Single : A 13 MET CE :methyl -135:sc= -0.0148 (180deg=-1.45) USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -1.47 (180deg=-2.6!) USER MOD Single : A 15 SER OG : rot -101:sc= 0.88 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.65 K(o=-1.7,f=-0.35) USER MOD Single : A 20 ASN : amide:sc= -0.18 K(o=-0.18,f=-3.8!) USER MOD Single : A 24 SER OG : rot 36:sc= -1.24! USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 26 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 39:sc= -1.7! USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00529 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -7.27! C(o=-7.3!,f=-7.9!) USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= 1.22 (180deg=-0.265) USER MOD Single : A 41 ASN : amide:sc= -1.98 K(o=-2,f=-6.1!) USER MOD Single : A 47 SER OG : rot -104:sc= 1.21 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -4.05! K(o=-4!,f=-3) USER MOD Single : A 63 GLN : amide:sc= -0.683 X(o=-0.68,f=-0.55) USER MOD Single : A 66 SER OG : rot -41:sc= -1.15 USER MOD Single : A 68 MET CE :methyl 169:sc= -0.578 (180deg=-1.04) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 156:sc=-0.00433 (180deg=-0.659) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 106 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-8!) USER MOD Single : A 109 ASN : amide:sc= -2.85! C(o=-2.8!,f=-9.1!) USER MOD Single : A 112 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.01) USER MOD Single : A 114 ASN : amide:sc= -0.348 K(o=-0.35,f=-3.5!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -2.39 K(o=-2.4,f=-3.9!) USER MOD Single : A 120 SER OG : rot 32:sc= 0.25 USER MOD Single : A 124 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.32) USER MOD Single : A 129 GLN : amide:sc= -0.0415 X(o=-0.042,f=-0.45) USER MOD Single : A 133 GLN : amide:sc= -2.99! X(o=-3!,f=-2.6) USER MOD Single : A 136 GLN : amide:sc= -1.27 K(o=-1.3,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.270 -16.336 1.912 1.00 0.00 N ATOM 2 CA GLY A 1 -20.522 -17.012 2.198 1.00 0.00 C ATOM 3 C GLY A 1 -21.087 -16.635 3.553 1.00 0.00 C ATOM 4 O GLY A 1 -22.222 -16.168 3.653 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.925 -16.627 0.975 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.421 -15.307 1.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.566 -16.589 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.249 -16.767 1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.366 -18.090 2.160 1.00 0.00 H new ATOM 8 N SER A 2 -20.295 -16.841 4.601 1.00 0.00 N ATOM 9 CA SER A 2 -20.725 -16.526 5.958 1.00 0.00 C ATOM 10 C SER A 2 -20.093 -15.223 6.439 1.00 0.00 C ATOM 11 O SER A 2 -19.145 -14.720 5.835 1.00 0.00 O ATOM 12 CB SER A 2 -20.358 -17.666 6.910 1.00 0.00 C ATOM 13 OG SER A 2 -21.039 -18.859 6.563 1.00 0.00 O ATOM 0 H SER A 2 -19.352 -17.225 4.536 1.00 0.00 H new ATOM 0 HA SER A 2 -21.808 -16.404 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.282 -17.836 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.609 -17.385 7.933 1.00 0.00 H new ATOM 0 HG SER A 2 -20.786 -19.573 7.185 1.00 0.00 H new ATOM 19 N SER A 3 -20.625 -14.682 7.530 1.00 0.00 N ATOM 20 CA SER A 3 -20.116 -13.436 8.092 1.00 0.00 C ATOM 21 C SER A 3 -18.681 -13.606 8.579 1.00 0.00 C ATOM 22 O SER A 3 -18.263 -14.704 8.944 1.00 0.00 O ATOM 23 CB SER A 3 -21.007 -12.970 9.245 1.00 0.00 C ATOM 24 OG SER A 3 -20.983 -11.559 9.370 1.00 0.00 O ATOM 0 H SER A 3 -21.408 -15.087 8.043 1.00 0.00 H new ATOM 0 HA SER A 3 -20.127 -12.681 7.306 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.030 -13.306 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.671 -13.426 10.176 1.00 0.00 H new ATOM 0 HG SER A 3 -21.562 -11.286 10.113 1.00 0.00 H new ATOM 30 N GLY A 4 -17.930 -12.509 8.583 1.00 0.00 N ATOM 31 CA GLY A 4 -16.549 -12.556 9.027 1.00 0.00 C ATOM 32 C GLY A 4 -15.654 -11.620 8.239 1.00 0.00 C ATOM 33 O GLY A 4 -15.170 -10.620 8.769 1.00 0.00 O ATOM 0 H GLY A 4 -18.253 -11.588 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.501 -12.295 10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.175 -13.576 8.933 1.00 0.00 H new ATOM 37 N SER A 5 -15.431 -11.946 6.970 1.00 0.00 N ATOM 38 CA SER A 5 -14.583 -11.130 6.109 1.00 0.00 C ATOM 39 C SER A 5 -15.242 -9.786 5.813 1.00 0.00 C ATOM 40 O SER A 5 -16.357 -9.730 5.294 1.00 0.00 O ATOM 41 CB SER A 5 -14.290 -11.866 4.800 1.00 0.00 C ATOM 42 OG SER A 5 -15.489 -12.182 4.113 1.00 0.00 O ATOM 0 H SER A 5 -15.826 -12.769 6.515 1.00 0.00 H new ATOM 0 HA SER A 5 -13.645 -10.948 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.656 -11.247 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.735 -12.781 5.010 1.00 0.00 H new ATOM 0 HG SER A 5 -16.145 -11.468 4.254 1.00 0.00 H new ATOM 48 N SER A 6 -14.545 -8.706 6.147 1.00 0.00 N ATOM 49 CA SER A 6 -15.063 -7.361 5.921 1.00 0.00 C ATOM 50 C SER A 6 -14.472 -6.758 4.651 1.00 0.00 C ATOM 51 O SER A 6 -14.188 -5.562 4.592 1.00 0.00 O ATOM 52 CB SER A 6 -14.749 -6.463 7.120 1.00 0.00 C ATOM 53 OG SER A 6 -13.355 -6.232 7.233 1.00 0.00 O ATOM 0 H SER A 6 -13.620 -8.735 6.575 1.00 0.00 H new ATOM 0 HA SER A 6 -16.144 -7.430 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.271 -5.512 7.013 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.119 -6.928 8.034 1.00 0.00 H new ATOM 0 HG SER A 6 -13.181 -5.654 8.005 1.00 0.00 H new ATOM 59 N GLY A 7 -14.290 -7.596 3.634 1.00 0.00 N ATOM 60 CA GLY A 7 -13.735 -7.128 2.378 1.00 0.00 C ATOM 61 C GLY A 7 -12.251 -6.831 2.475 1.00 0.00 C ATOM 62 O GLY A 7 -11.633 -7.051 3.517 1.00 0.00 O ATOM 0 H GLY A 7 -14.517 -8.590 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.902 -7.881 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.263 -6.228 2.064 1.00 0.00 H new ATOM 66 N VAL A 8 -11.677 -6.330 1.386 1.00 0.00 N ATOM 67 CA VAL A 8 -10.257 -6.002 1.352 1.00 0.00 C ATOM 68 C VAL A 8 -9.984 -4.668 2.038 1.00 0.00 C ATOM 69 O VAL A 8 -10.809 -3.756 1.994 1.00 0.00 O ATOM 70 CB VAL A 8 -9.730 -5.940 -0.094 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.657 -5.107 -0.966 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.314 -5.383 -0.121 1.00 0.00 C ATOM 0 H VAL A 8 -12.174 -6.142 0.515 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.736 -6.796 1.887 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.705 -6.952 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.268 -5.075 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.651 -5.554 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.717 -4.094 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.957 -5.346 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.310 -4.378 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.659 -6.026 0.467 1.00 0.00 H new ATOM 82 N ARG A 9 -8.821 -4.562 2.672 1.00 0.00 N ATOM 83 CA ARG A 9 -8.439 -3.340 3.369 1.00 0.00 C ATOM 84 C ARG A 9 -7.446 -2.530 2.540 1.00 0.00 C ATOM 85 O ARG A 9 -7.060 -2.935 1.444 1.00 0.00 O ATOM 86 CB ARG A 9 -7.830 -3.674 4.732 1.00 0.00 C ATOM 87 CG ARG A 9 -8.620 -4.711 5.514 1.00 0.00 C ATOM 88 CD ARG A 9 -9.697 -4.062 6.369 1.00 0.00 C ATOM 89 NE ARG A 9 -10.172 -4.956 7.422 1.00 0.00 N ATOM 90 CZ ARG A 9 -9.414 -5.369 8.432 1.00 0.00 C ATOM 91 NH1 ARG A 9 -8.153 -4.970 8.525 1.00 0.00 N ATOM 92 NH2 ARG A 9 -9.918 -6.182 9.352 1.00 0.00 N ATOM 0 H ARG A 9 -8.127 -5.308 2.717 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.337 -2.740 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.813 -4.038 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.760 -2.761 5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.079 -5.417 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.943 -5.282 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.303 -3.150 6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.535 -3.770 5.736 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.138 -5.281 7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.763 -4.344 7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.573 -5.289 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.888 -6.490 9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.335 -6.499 10.127 1.00 0.00 H new ATOM 106 N TYR A 10 -7.036 -1.384 3.073 1.00 0.00 N ATOM 107 CA TYR A 10 -6.090 -0.516 2.382 1.00 0.00 C ATOM 108 C TYR A 10 -5.099 0.101 3.365 1.00 0.00 C ATOM 109 O TYR A 10 -5.486 0.619 4.412 1.00 0.00 O ATOM 110 CB TYR A 10 -6.835 0.589 1.631 1.00 0.00 C ATOM 111 CG TYR A 10 -7.786 0.069 0.576 1.00 0.00 C ATOM 112 CD1 TYR A 10 -8.924 -0.645 0.930 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.546 0.293 -0.774 1.00 0.00 C ATOM 114 CE1 TYR A 10 -9.795 -1.122 -0.030 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.413 -0.179 -1.741 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.535 -0.887 -1.364 1.00 0.00 C ATOM 117 OH TYR A 10 -10.401 -1.359 -2.323 1.00 0.00 O ATOM 0 H TYR A 10 -7.344 -1.035 3.981 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.535 -1.122 1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.394 1.190 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.108 1.250 1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.131 -0.830 1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.667 0.845 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.675 -1.676 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.213 0.005 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.983 -2.104 -2.803 1.00 0.00 H new ATOM 127 N PHE A 11 -3.818 0.042 3.018 1.00 0.00 N ATOM 128 CA PHE A 11 -2.769 0.594 3.868 1.00 0.00 C ATOM 129 C PHE A 11 -1.753 1.376 3.041 1.00 0.00 C ATOM 130 O PHE A 11 -1.298 0.910 1.996 1.00 0.00 O ATOM 131 CB PHE A 11 -2.064 -0.526 4.637 1.00 0.00 C ATOM 132 CG PHE A 11 -2.982 -1.308 5.533 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.295 -0.843 6.800 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.530 -2.507 5.108 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.140 -1.560 7.627 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.375 -3.228 5.931 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.679 -2.755 7.192 1.00 0.00 C ATOM 0 H PHE A 11 -3.481 -0.382 2.154 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.234 1.277 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.597 -1.207 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.263 -0.095 5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.874 0.090 7.146 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.295 -2.883 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.378 -1.186 8.612 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.797 -4.161 5.588 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.337 -3.318 7.837 1.00 0.00 H new ATOM 147 N ILE A 12 -1.404 2.567 3.515 1.00 0.00 N ATOM 148 CA ILE A 12 -0.442 3.413 2.820 1.00 0.00 C ATOM 149 C ILE A 12 0.983 3.107 3.267 1.00 0.00 C ATOM 150 O ILE A 12 1.318 3.240 4.444 1.00 0.00 O ATOM 151 CB ILE A 12 -0.733 4.907 3.058 1.00 0.00 C ATOM 152 CG1 ILE A 12 -2.028 5.316 2.352 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.432 5.757 2.572 1.00 0.00 C ATOM 154 CD1 ILE A 12 -1.893 5.411 0.849 1.00 0.00 C ATOM 0 H ILE A 12 -1.773 2.968 4.377 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.541 3.196 1.756 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.857 5.072 4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.808 4.594 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.355 6.280 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.212 6.810 2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.336 5.480 3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.584 5.590 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.849 5.705 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.137 6.155 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.596 4.442 0.448 1.00 0.00 H new ATOM 166 N MET A 13 1.819 2.698 2.318 1.00 0.00 N ATOM 167 CA MET A 13 3.211 2.376 2.614 1.00 0.00 C ATOM 168 C MET A 13 4.156 3.309 1.864 1.00 0.00 C ATOM 169 O MET A 13 4.240 3.269 0.636 1.00 0.00 O ATOM 170 CB MET A 13 3.510 0.922 2.242 1.00 0.00 C ATOM 171 CG MET A 13 2.369 -0.033 2.557 1.00 0.00 C ATOM 172 SD MET A 13 1.574 0.332 4.134 1.00 0.00 S ATOM 173 CE MET A 13 2.725 -0.428 5.277 1.00 0.00 C ATOM 0 H MET A 13 1.558 2.582 1.339 1.00 0.00 H new ATOM 0 HA MET A 13 3.370 2.510 3.684 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.735 0.867 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.404 0.596 2.774 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.627 0.018 1.760 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.749 -1.054 2.574 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.173 -0.997 6.025 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.392 -1.096 4.732 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.312 0.346 5.771 1.00 0.00 H new ATOM 183 N LYS A 14 4.866 4.149 2.610 1.00 0.00 N ATOM 184 CA LYS A 14 5.806 5.092 2.016 1.00 0.00 C ATOM 185 C LYS A 14 7.195 4.474 1.899 1.00 0.00 C ATOM 186 O LYS A 14 7.533 3.540 2.626 1.00 0.00 O ATOM 187 CB LYS A 14 5.874 6.371 2.854 1.00 0.00 C ATOM 188 CG LYS A 14 4.511 6.942 3.205 1.00 0.00 C ATOM 189 CD LYS A 14 3.764 7.404 1.966 1.00 0.00 C ATOM 190 CE LYS A 14 4.129 8.833 1.595 1.00 0.00 C ATOM 191 NZ LYS A 14 5.552 8.950 1.173 1.00 0.00 N ATOM 0 H LYS A 14 4.808 4.196 3.627 1.00 0.00 H new ATOM 0 HA LYS A 14 5.452 5.339 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.420 6.164 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.444 7.123 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.922 6.187 3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.632 7.780 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.994 6.741 1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.690 7.335 2.141 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.481 9.175 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.948 9.487 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.650 9.734 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.147 9.135 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.854 8.063 0.722 1.00 0.00 H new ATOM 205 N SER A 15 7.997 5.003 0.980 1.00 0.00 N ATOM 206 CA SER A 15 9.350 4.501 0.766 1.00 0.00 C ATOM 207 C SER A 15 10.335 5.653 0.588 1.00 0.00 C ATOM 208 O SER A 15 10.197 6.466 -0.326 1.00 0.00 O ATOM 209 CB SER A 15 9.390 3.587 -0.459 1.00 0.00 C ATOM 210 OG SER A 15 10.600 2.852 -0.509 1.00 0.00 O ATOM 0 H SER A 15 7.734 5.779 0.372 1.00 0.00 H new ATOM 0 HA SER A 15 9.642 3.929 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.545 2.900 -0.431 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.286 4.184 -1.365 1.00 0.00 H new ATOM 0 HG SER A 15 11.211 3.271 -1.150 1.00 0.00 H new ATOM 216 N SER A 16 11.328 5.715 1.468 1.00 0.00 N ATOM 217 CA SER A 16 12.335 6.769 1.412 1.00 0.00 C ATOM 218 C SER A 16 12.895 6.909 -0.001 1.00 0.00 C ATOM 219 O SER A 16 12.878 7.994 -0.581 1.00 0.00 O ATOM 220 CB SER A 16 13.469 6.473 2.395 1.00 0.00 C ATOM 221 OG SER A 16 13.131 6.895 3.705 1.00 0.00 O ATOM 0 H SER A 16 11.458 5.048 2.229 1.00 0.00 H new ATOM 0 HA SER A 16 11.859 7.709 1.691 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.683 5.404 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.378 6.979 2.070 1.00 0.00 H new ATOM 0 HG SER A 16 13.871 6.693 4.315 1.00 0.00 H new ATOM 227 N ASN A 17 13.391 5.804 -0.546 1.00 0.00 N ATOM 228 CA ASN A 17 13.958 5.803 -1.890 1.00 0.00 C ATOM 229 C ASN A 17 13.105 4.967 -2.839 1.00 0.00 C ATOM 230 O ASN A 17 12.219 4.228 -2.408 1.00 0.00 O ATOM 231 CB ASN A 17 15.389 5.263 -1.863 1.00 0.00 C ATOM 232 CG ASN A 17 16.197 5.705 -3.067 1.00 0.00 C ATOM 233 OD1 ASN A 17 16.525 6.882 -3.210 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.522 4.759 -3.941 1.00 0.00 N ATOM 0 H ASN A 17 13.412 4.898 -0.078 1.00 0.00 H new ATOM 0 HA ASN A 17 13.972 6.831 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.885 5.601 -0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.363 4.174 -1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.065 4.996 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.228 3.795 -3.782 1.00 0.00 H new ATOM 241 N LEU A 18 13.378 5.088 -4.134 1.00 0.00 N ATOM 242 CA LEU A 18 12.637 4.343 -5.145 1.00 0.00 C ATOM 243 C LEU A 18 13.158 2.914 -5.260 1.00 0.00 C ATOM 244 O LEU A 18 12.380 1.960 -5.297 1.00 0.00 O ATOM 245 CB LEU A 18 12.738 5.045 -6.501 1.00 0.00 C ATOM 246 CG LEU A 18 11.699 4.638 -7.547 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.197 3.227 -7.279 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.541 5.625 -7.560 1.00 0.00 C ATOM 0 H LEU A 18 14.107 5.695 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 18 11.592 4.306 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.658 6.120 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.730 4.858 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 18 12.173 4.653 -8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.459 2.954 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.033 2.529 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.739 3.185 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.811 5.320 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.067 5.643 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.914 6.620 -7.801 1.00 0.00 H new ATOM 260 N ARG A 19 14.478 2.773 -5.314 1.00 0.00 N ATOM 261 CA ARG A 19 15.103 1.461 -5.424 1.00 0.00 C ATOM 262 C ARG A 19 14.432 0.459 -4.489 1.00 0.00 C ATOM 263 O ARG A 19 13.981 -0.602 -4.920 1.00 0.00 O ATOM 264 CB ARG A 19 16.596 1.555 -5.101 1.00 0.00 C ATOM 265 CG ARG A 19 17.314 0.215 -5.145 1.00 0.00 C ATOM 266 CD ARG A 19 17.105 -0.485 -6.478 1.00 0.00 C ATOM 267 NE ARG A 19 18.188 -1.417 -6.782 1.00 0.00 N ATOM 268 CZ ARG A 19 18.408 -1.917 -7.993 1.00 0.00 C ATOM 269 NH1 ARG A 19 17.626 -1.577 -9.007 1.00 0.00 N ATOM 270 NH2 ARG A 19 19.414 -2.760 -8.190 1.00 0.00 N ATOM 0 H ARG A 19 15.136 3.552 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 19 14.981 1.113 -6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.070 2.235 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.718 1.991 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.380 0.366 -4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.950 -0.421 -4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.157 -1.024 -6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.034 0.259 -7.271 1.00 0.00 H new ATOM 0 HE ARG A 19 18.809 -1.699 -6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.852 -0.929 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.798 -1.963 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.018 -3.024 -7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.583 -3.144 -9.120 1.00 0.00 H new ATOM 284 N ASN A 20 14.369 0.804 -3.207 1.00 0.00 N ATOM 285 CA ASN A 20 13.753 -0.065 -2.211 1.00 0.00 C ATOM 286 C ASN A 20 12.479 -0.702 -2.758 1.00 0.00 C ATOM 287 O ASN A 20 12.159 -1.848 -2.440 1.00 0.00 O ATOM 288 CB ASN A 20 13.436 0.725 -0.940 1.00 0.00 C ATOM 289 CG ASN A 20 14.551 1.680 -0.560 1.00 0.00 C ATOM 290 OD1 ASN A 20 15.664 1.591 -1.079 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.257 2.600 0.351 1.00 0.00 N ATOM 0 H ASN A 20 14.737 1.679 -2.834 1.00 0.00 H new ATOM 0 HA ASN A 20 14.461 -0.858 -1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.514 1.287 -1.085 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.260 0.031 -0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.967 3.270 0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.321 2.637 0.755 1.00 0.00 H new ATOM 298 N LEU A 21 11.756 0.048 -3.582 1.00 0.00 N ATOM 299 CA LEU A 21 10.516 -0.443 -4.175 1.00 0.00 C ATOM 300 C LEU A 21 10.805 -1.423 -5.306 1.00 0.00 C ATOM 301 O LEU A 21 10.110 -2.427 -5.463 1.00 0.00 O ATOM 302 CB LEU A 21 9.680 0.727 -4.698 1.00 0.00 C ATOM 303 CG LEU A 21 8.207 0.427 -4.975 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.411 0.420 -3.679 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.631 1.442 -5.952 1.00 0.00 C ATOM 0 H LEU A 21 12.006 0.998 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 21 9.953 -0.966 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.735 1.539 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.136 1.090 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 21 8.136 -0.563 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.365 0.205 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.808 -0.345 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.489 1.395 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.582 1.213 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.715 2.443 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.184 1.398 -6.890 1.00 0.00 H new ATOM 317 N GLU A 22 11.836 -1.126 -6.092 1.00 0.00 N ATOM 318 CA GLU A 22 12.217 -1.984 -7.208 1.00 0.00 C ATOM 319 C GLU A 22 12.310 -3.442 -6.768 1.00 0.00 C ATOM 320 O GLU A 22 12.024 -4.354 -7.543 1.00 0.00 O ATOM 321 CB GLU A 22 13.555 -1.530 -7.795 1.00 0.00 C ATOM 322 CG GLU A 22 13.470 -0.223 -8.565 1.00 0.00 C ATOM 323 CD GLU A 22 13.145 -0.429 -10.031 1.00 0.00 C ATOM 324 OE1 GLU A 22 14.039 -0.878 -10.779 1.00 0.00 O ATOM 325 OE2 GLU A 22 11.998 -0.142 -10.431 1.00 0.00 O ATOM 0 H GLU A 22 12.421 -0.299 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 22 11.446 -1.903 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.278 -1.419 -6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.934 -2.308 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.707 0.411 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.418 0.308 -8.478 1.00 0.00 H new ATOM 332 N ILE A 23 12.713 -3.651 -5.519 1.00 0.00 N ATOM 333 CA ILE A 23 12.844 -4.997 -4.975 1.00 0.00 C ATOM 334 C ILE A 23 11.500 -5.719 -4.964 1.00 0.00 C ATOM 335 O ILE A 23 11.434 -6.933 -5.155 1.00 0.00 O ATOM 336 CB ILE A 23 13.413 -4.974 -3.544 1.00 0.00 C ATOM 337 CG1 ILE A 23 14.883 -4.549 -3.564 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.259 -6.339 -2.890 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.088 -3.102 -3.954 1.00 0.00 C ATOM 0 H ILE A 23 12.954 -2.906 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 23 13.537 -5.533 -5.624 1.00 0.00 H new ATOM 0 HB ILE A 23 12.852 -4.247 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.314 -4.716 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.427 -5.186 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.666 -6.306 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.203 -6.605 -2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.798 -7.085 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.153 -2.871 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.687 -2.934 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.572 -2.457 -3.243 1.00 0.00 H new ATOM 351 N SER A 24 10.430 -4.962 -4.740 1.00 0.00 N ATOM 352 CA SER A 24 9.088 -5.529 -4.701 1.00 0.00 C ATOM 353 C SER A 24 8.554 -5.756 -6.112 1.00 0.00 C ATOM 354 O SER A 24 7.575 -6.477 -6.308 1.00 0.00 O ATOM 355 CB SER A 24 8.143 -4.607 -3.929 1.00 0.00 C ATOM 356 OG SER A 24 7.109 -5.345 -3.301 1.00 0.00 O ATOM 0 H SER A 24 10.467 -3.955 -4.583 1.00 0.00 H new ATOM 0 HA SER A 24 9.142 -6.491 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.705 -4.052 -3.178 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.709 -3.874 -4.609 1.00 0.00 H new ATOM 0 HG SER A 24 7.462 -6.206 -2.994 1.00 0.00 H new ATOM 362 N GLN A 25 9.204 -5.136 -7.091 1.00 0.00 N ATOM 363 CA GLN A 25 8.794 -5.269 -8.484 1.00 0.00 C ATOM 364 C GLN A 25 9.463 -6.476 -9.135 1.00 0.00 C ATOM 365 O GLN A 25 8.893 -7.107 -10.025 1.00 0.00 O ATOM 366 CB GLN A 25 9.138 -3.999 -9.263 1.00 0.00 C ATOM 367 CG GLN A 25 8.264 -2.809 -8.903 1.00 0.00 C ATOM 368 CD GLN A 25 8.661 -1.547 -9.643 1.00 0.00 C ATOM 369 OE1 GLN A 25 8.778 -1.543 -10.869 1.00 0.00 O ATOM 370 NE2 GLN A 25 8.871 -0.466 -8.901 1.00 0.00 N ATOM 0 H GLN A 25 10.017 -4.537 -6.946 1.00 0.00 H new ATOM 0 HA GLN A 25 7.715 -5.418 -8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.181 -3.742 -9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.042 -4.200 -10.330 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.224 -3.046 -9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.325 -2.630 -7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.763 -0.514 -7.888 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.141 0.412 -9.344 1.00 0.00 H new ATOM 379 N GLN A 26 10.674 -6.789 -8.686 1.00 0.00 N ATOM 380 CA GLN A 26 11.420 -7.919 -9.226 1.00 0.00 C ATOM 381 C GLN A 26 11.300 -9.136 -8.315 1.00 0.00 C ATOM 382 O GLN A 26 10.850 -10.201 -8.738 1.00 0.00 O ATOM 383 CB GLN A 26 12.892 -7.545 -9.407 1.00 0.00 C ATOM 384 CG GLN A 26 13.101 -6.255 -10.184 1.00 0.00 C ATOM 385 CD GLN A 26 13.210 -6.485 -11.678 1.00 0.00 C ATOM 386 OE1 GLN A 26 14.000 -7.311 -12.136 1.00 0.00 O ATOM 387 NE2 GLN A 26 12.414 -5.752 -12.449 1.00 0.00 N ATOM 0 H GLN A 26 11.159 -6.276 -7.950 1.00 0.00 H new ATOM 0 HA GLN A 26 10.995 -8.172 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.357 -7.448 -8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.404 -8.357 -9.923 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.272 -5.577 -9.984 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.007 -5.764 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.774 -5.079 -12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.443 -5.862 -13.463 1.00 0.00 H new ATOM 396 N LYS A 27 11.707 -8.972 -7.060 1.00 0.00 N ATOM 397 CA LYS A 27 11.645 -10.056 -6.087 1.00 0.00 C ATOM 398 C LYS A 27 10.199 -10.448 -5.801 1.00 0.00 C ATOM 399 O LYS A 27 9.899 -11.616 -5.555 1.00 0.00 O ATOM 400 CB LYS A 27 12.339 -9.642 -4.787 1.00 0.00 C ATOM 401 CG LYS A 27 13.691 -8.986 -5.002 1.00 0.00 C ATOM 402 CD LYS A 27 14.529 -9.752 -6.013 1.00 0.00 C ATOM 403 CE LYS A 27 15.967 -9.259 -6.033 1.00 0.00 C ATOM 404 NZ LYS A 27 16.916 -10.332 -6.439 1.00 0.00 N ATOM 0 H LYS A 27 12.083 -8.098 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 27 12.161 -10.919 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.693 -8.953 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.468 -10.522 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.549 -7.962 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.225 -8.931 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.511 -10.815 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.092 -9.643 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.053 -8.419 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.238 -8.890 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.886 -9.956 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.853 -11.124 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.674 -10.667 -7.393 1.00 0.00 H new ATOM 418 N GLY A 28 9.305 -9.464 -5.837 1.00 0.00 N ATOM 419 CA GLY A 28 7.901 -9.728 -5.581 1.00 0.00 C ATOM 420 C GLY A 28 7.578 -9.764 -4.100 1.00 0.00 C ATOM 421 O GLY A 28 6.617 -10.412 -3.684 1.00 0.00 O ATOM 0 H GLY A 28 9.528 -8.489 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.296 -8.960 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.625 -10.681 -6.033 1.00 0.00 H new ATOM 425 N ILE A 29 8.383 -9.070 -3.304 1.00 0.00 N ATOM 426 CA ILE A 29 8.179 -9.026 -1.861 1.00 0.00 C ATOM 427 C ILE A 29 8.398 -7.619 -1.317 1.00 0.00 C ATOM 428 O ILE A 29 8.886 -6.738 -2.025 1.00 0.00 O ATOM 429 CB ILE A 29 9.121 -10.000 -1.129 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.510 -9.978 -1.770 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.546 -11.408 -1.148 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.344 -8.783 -1.363 1.00 0.00 C ATOM 0 H ILE A 29 9.183 -8.530 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 29 7.147 -9.326 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 29 9.215 -9.681 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.041 -10.891 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.401 -9.983 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.223 -12.085 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.576 -11.412 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.426 -11.738 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.315 -8.833 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.834 -7.866 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.484 -8.788 -0.282 1.00 0.00 H new ATOM 444 N TRP A 30 8.035 -7.415 -0.056 1.00 0.00 N ATOM 445 CA TRP A 30 8.193 -6.114 0.584 1.00 0.00 C ATOM 446 C TRP A 30 8.410 -6.269 2.086 1.00 0.00 C ATOM 447 O TRP A 30 7.640 -6.948 2.766 1.00 0.00 O ATOM 448 CB TRP A 30 6.966 -5.240 0.321 1.00 0.00 C ATOM 449 CG TRP A 30 7.069 -3.874 0.928 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.371 -3.400 2.002 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.918 -2.805 0.495 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.735 -2.100 2.263 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.683 -1.713 1.353 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.854 -2.665 -0.533 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.350 -0.499 1.212 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.516 -1.460 -0.671 1.00 0.00 C ATOM 457 CH2 TRP A 30 9.262 -0.390 0.197 1.00 0.00 C ATOM 0 H TRP A 30 7.629 -8.134 0.544 1.00 0.00 H new ATOM 0 HA TRP A 30 9.072 -5.631 0.157 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.823 -5.142 -0.755 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.081 -5.740 0.716 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.641 -3.963 2.564 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.360 -1.518 3.012 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.056 -3.484 -1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.155 0.327 1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.242 -1.341 -1.462 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.796 0.539 0.063 1.00 0.00 H new ATOM 468 N SER A 31 9.461 -5.637 2.597 1.00 0.00 N ATOM 469 CA SER A 31 9.780 -5.708 4.018 1.00 0.00 C ATOM 470 C SER A 31 9.519 -4.369 4.701 1.00 0.00 C ATOM 471 O SER A 31 10.236 -3.393 4.476 1.00 0.00 O ATOM 472 CB SER A 31 11.241 -6.118 4.214 1.00 0.00 C ATOM 473 OG SER A 31 12.113 -5.027 3.975 1.00 0.00 O ATOM 0 H SER A 31 10.107 -5.070 2.048 1.00 0.00 H new ATOM 0 HA SER A 31 9.135 -6.460 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.385 -6.487 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.486 -6.938 3.539 1.00 0.00 H new ATOM 0 HG SER A 31 11.719 -4.207 4.341 1.00 0.00 H new ATOM 479 N THR A 32 8.486 -4.329 5.537 1.00 0.00 N ATOM 480 CA THR A 32 8.129 -3.111 6.252 1.00 0.00 C ATOM 481 C THR A 32 8.417 -3.244 7.743 1.00 0.00 C ATOM 482 O THR A 32 8.740 -4.328 8.230 1.00 0.00 O ATOM 483 CB THR A 32 6.641 -2.761 6.058 1.00 0.00 C ATOM 484 OG1 THR A 32 6.413 -1.388 6.394 1.00 0.00 O ATOM 485 CG2 THR A 32 5.759 -3.653 6.918 1.00 0.00 C ATOM 0 H THR A 32 7.882 -5.127 5.735 1.00 0.00 H new ATOM 0 HA THR A 32 8.741 -2.310 5.836 1.00 0.00 H new ATOM 0 HB THR A 32 6.385 -2.925 5.011 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.465 -1.173 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.713 -3.387 6.764 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.914 -4.695 6.639 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.017 -3.516 7.968 1.00 0.00 H new ATOM 493 N THR A 33 8.297 -2.135 8.466 1.00 0.00 N ATOM 494 CA THR A 33 8.545 -2.128 9.902 1.00 0.00 C ATOM 495 C THR A 33 7.639 -3.121 10.621 1.00 0.00 C ATOM 496 O THR A 33 6.467 -3.286 10.284 1.00 0.00 O ATOM 497 CB THR A 33 8.329 -0.726 10.503 1.00 0.00 C ATOM 498 OG1 THR A 33 8.947 -0.645 11.792 1.00 0.00 O ATOM 499 CG2 THR A 33 6.845 -0.412 10.625 1.00 0.00 C ATOM 0 H THR A 33 8.029 -1.230 8.080 1.00 0.00 H new ATOM 0 HA THR A 33 9.586 -2.420 10.044 1.00 0.00 H new ATOM 0 HB THR A 33 8.785 0.005 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.807 0.250 12.166 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.717 0.583 11.052 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.384 -0.445 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.369 -1.148 11.273 1.00 0.00 H new ATOM 507 N PRO A 34 8.193 -3.799 11.637 1.00 0.00 N ATOM 508 CA PRO A 34 7.452 -4.788 12.426 1.00 0.00 C ATOM 509 C PRO A 34 6.386 -4.145 13.307 1.00 0.00 C ATOM 510 O PRO A 34 5.707 -4.828 14.074 1.00 0.00 O ATOM 511 CB PRO A 34 8.536 -5.439 13.288 1.00 0.00 C ATOM 512 CG PRO A 34 9.605 -4.408 13.395 1.00 0.00 C ATOM 513 CD PRO A 34 9.585 -3.653 12.095 1.00 0.00 C ATOM 0 HA PRO A 34 6.912 -5.492 11.793 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.150 -5.712 14.270 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.912 -6.353 12.828 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.420 -3.740 14.237 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.578 -4.871 13.563 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.854 -2.606 12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.290 -4.071 11.377 1.00 0.00 H new ATOM 521 N SER A 35 6.245 -2.828 13.193 1.00 0.00 N ATOM 522 CA SER A 35 5.263 -2.093 13.982 1.00 0.00 C ATOM 523 C SER A 35 3.951 -1.948 13.218 1.00 0.00 C ATOM 524 O SER A 35 2.927 -1.573 13.787 1.00 0.00 O ATOM 525 CB SER A 35 5.807 -0.711 14.351 1.00 0.00 C ATOM 526 OG SER A 35 6.674 -0.787 15.469 1.00 0.00 O ATOM 0 H SER A 35 6.798 -2.248 12.562 1.00 0.00 H new ATOM 0 HA SER A 35 5.071 -2.656 14.895 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.341 -0.288 13.500 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.979 -0.038 14.574 1.00 0.00 H new ATOM 0 HG SER A 35 7.010 0.108 15.684 1.00 0.00 H new ATOM 532 N ASN A 36 3.990 -2.249 11.924 1.00 0.00 N ATOM 533 CA ASN A 36 2.805 -2.152 11.080 1.00 0.00 C ATOM 534 C ASN A 36 2.544 -3.468 10.354 1.00 0.00 C ATOM 535 O ASN A 36 1.841 -3.503 9.345 1.00 0.00 O ATOM 536 CB ASN A 36 2.968 -1.020 10.064 1.00 0.00 C ATOM 537 CG ASN A 36 3.794 0.130 10.606 1.00 0.00 C ATOM 538 OD1 ASN A 36 3.825 0.372 11.813 1.00 0.00 O ATOM 539 ND2 ASN A 36 4.469 0.846 9.715 1.00 0.00 N ATOM 0 H ASN A 36 4.830 -2.562 11.437 1.00 0.00 H new ATOM 0 HA ASN A 36 1.950 -1.936 11.721 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.441 -1.410 9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.984 -0.652 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.042 1.632 10.021 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.414 0.610 8.724 1.00 0.00 H new ATOM 546 N GLU A 37 3.116 -4.549 10.876 1.00 0.00 N ATOM 547 CA GLU A 37 2.946 -5.867 10.277 1.00 0.00 C ATOM 548 C GLU A 37 1.716 -6.569 10.847 1.00 0.00 C ATOM 549 O GLU A 37 0.975 -7.232 10.121 1.00 0.00 O ATOM 550 CB GLU A 37 4.191 -6.724 10.514 1.00 0.00 C ATOM 551 CG GLU A 37 5.342 -6.398 9.577 1.00 0.00 C ATOM 552 CD GLU A 37 6.530 -7.321 9.768 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.516 -8.115 10.732 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.474 -7.248 8.954 1.00 0.00 O ATOM 0 H GLU A 37 3.701 -4.537 11.712 1.00 0.00 H new ATOM 0 HA GLU A 37 2.804 -5.735 9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.523 -6.591 11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.926 -7.775 10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.996 -6.466 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.658 -5.367 9.740 1.00 0.00 H new ATOM 561 N ARG A 38 1.507 -6.417 12.150 1.00 0.00 N ATOM 562 CA ARG A 38 0.369 -7.037 12.818 1.00 0.00 C ATOM 563 C ARG A 38 -0.899 -6.889 11.982 1.00 0.00 C ATOM 564 O ARG A 38 -1.696 -7.821 11.873 1.00 0.00 O ATOM 565 CB ARG A 38 0.158 -6.412 14.199 1.00 0.00 C ATOM 566 CG ARG A 38 -0.290 -4.960 14.148 1.00 0.00 C ATOM 567 CD ARG A 38 -1.805 -4.846 14.100 1.00 0.00 C ATOM 568 NE ARG A 38 -2.241 -3.599 13.478 1.00 0.00 N ATOM 569 CZ ARG A 38 -3.480 -3.129 13.563 1.00 0.00 C ATOM 570 NH1 ARG A 38 -4.402 -3.799 14.241 1.00 0.00 N ATOM 571 NH2 ARG A 38 -3.800 -1.986 12.969 1.00 0.00 N ATOM 0 H ARG A 38 2.110 -5.870 12.764 1.00 0.00 H new ATOM 0 HA ARG A 38 0.584 -8.099 12.936 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.586 -6.994 14.742 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.088 -6.477 14.764 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.088 -4.430 15.022 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.140 -4.476 13.271 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.215 -5.690 13.545 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.205 -4.905 15.112 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.556 -3.059 12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.160 -4.678 14.699 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.353 -3.436 14.305 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.094 -1.468 12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.752 -1.626 13.035 1.00 0.00 H new ATOM 585 N LYS A 39 -1.079 -5.711 11.394 1.00 0.00 N ATOM 586 CA LYS A 39 -2.249 -5.440 10.567 1.00 0.00 C ATOM 587 C LYS A 39 -2.189 -6.230 9.263 1.00 0.00 C ATOM 588 O LYS A 39 -2.923 -7.201 9.080 1.00 0.00 O ATOM 589 CB LYS A 39 -2.350 -3.943 10.265 1.00 0.00 C ATOM 590 CG LYS A 39 -1.007 -3.233 10.258 1.00 0.00 C ATOM 591 CD LYS A 39 -0.992 -2.079 9.270 1.00 0.00 C ATOM 592 CE LYS A 39 -1.599 -0.821 9.872 1.00 0.00 C ATOM 593 NZ LYS A 39 -0.622 -0.086 10.721 1.00 0.00 N ATOM 0 H LYS A 39 -0.429 -4.929 11.475 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.134 -5.753 11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.828 -3.808 9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.996 -3.474 11.007 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.786 -2.860 11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.220 -3.943 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.033 -1.877 8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.546 -2.359 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.949 -0.168 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.471 -1.088 10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.102 0.275 11.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.145 -0.729 11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.225 0.710 10.183 1.00 0.00 H new ATOM 607 N LEU A 40 -1.309 -5.808 8.362 1.00 0.00 N ATOM 608 CA LEU A 40 -1.152 -6.477 7.075 1.00 0.00 C ATOM 609 C LEU A 40 -1.268 -7.990 7.230 1.00 0.00 C ATOM 610 O LEU A 40 -1.905 -8.660 6.419 1.00 0.00 O ATOM 611 CB LEU A 40 0.199 -6.119 6.454 1.00 0.00 C ATOM 612 CG LEU A 40 0.625 -4.655 6.572 1.00 0.00 C ATOM 613 CD1 LEU A 40 1.951 -4.426 5.863 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.450 -3.739 6.004 1.00 0.00 C ATOM 0 H LEU A 40 -0.694 -5.006 8.499 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.950 -6.136 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.966 -6.738 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.172 -6.385 5.397 1.00 0.00 H new ATOM 0 HG LEU A 40 0.755 -4.419 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.238 -3.379 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.718 -5.055 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.848 -4.680 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.130 -2.701 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.612 -3.977 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.379 -3.882 6.556 1.00 0.00 H new ATOM 626 N ASN A 41 -0.649 -8.521 8.280 1.00 0.00 N ATOM 627 CA ASN A 41 -0.684 -9.955 8.542 1.00 0.00 C ATOM 628 C ASN A 41 -2.091 -10.403 8.927 1.00 0.00 C ATOM 629 O ASN A 41 -2.701 -11.224 8.241 1.00 0.00 O ATOM 630 CB ASN A 41 0.300 -10.315 9.657 1.00 0.00 C ATOM 631 CG ASN A 41 0.785 -11.749 9.560 1.00 0.00 C ATOM 632 OD1 ASN A 41 0.190 -12.571 8.864 1.00 0.00 O ATOM 633 ND2 ASN A 41 1.870 -12.055 10.261 1.00 0.00 N ATOM 0 H ASN A 41 -0.118 -7.980 8.962 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.393 -10.473 7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.156 -9.641 9.614 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.179 -10.161 10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.242 -13.004 10.236 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.331 -11.341 10.825 1.00 0.00 H new ATOM 640 N ARG A 42 -2.599 -9.859 10.027 1.00 0.00 N ATOM 641 CA ARG A 42 -3.934 -10.203 10.504 1.00 0.00 C ATOM 642 C ARG A 42 -4.984 -9.909 9.437 1.00 0.00 C ATOM 643 O ARG A 42 -5.683 -10.811 8.975 1.00 0.00 O ATOM 644 CB ARG A 42 -4.258 -9.427 11.781 1.00 0.00 C ATOM 645 CG ARG A 42 -5.535 -9.887 12.466 1.00 0.00 C ATOM 646 CD ARG A 42 -5.427 -11.329 12.934 1.00 0.00 C ATOM 647 NE ARG A 42 -6.472 -11.672 13.896 1.00 0.00 N ATOM 648 CZ ARG A 42 -6.545 -11.155 15.117 1.00 0.00 C ATOM 649 NH1 ARG A 42 -5.640 -10.275 15.523 1.00 0.00 N ATOM 650 NH2 ARG A 42 -7.526 -11.517 15.934 1.00 0.00 N ATOM 0 H ARG A 42 -2.107 -9.178 10.605 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.951 -11.271 10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.426 -9.527 12.478 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.346 -8.368 11.540 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.745 -9.241 13.319 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.374 -9.789 11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.493 -11.995 12.074 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.449 -11.491 13.388 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.184 -12.345 13.614 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.885 -9.994 14.897 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.698 -9.879 16.461 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.224 -12.193 15.624 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.582 -11.120 16.872 1.00 0.00 H new ATOM 664 N ALA A 43 -5.090 -8.642 9.050 1.00 0.00 N ATOM 665 CA ALA A 43 -6.053 -8.230 8.037 1.00 0.00 C ATOM 666 C ALA A 43 -6.121 -9.243 6.900 1.00 0.00 C ATOM 667 O ALA A 43 -7.202 -9.567 6.408 1.00 0.00 O ATOM 668 CB ALA A 43 -5.696 -6.853 7.498 1.00 0.00 C ATOM 0 H ALA A 43 -4.520 -7.883 9.423 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.036 -8.181 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.424 -6.558 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.706 -6.129 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.702 -6.883 7.052 1.00 0.00 H new ATOM 674 N PHE A 44 -4.960 -9.741 6.486 1.00 0.00 N ATOM 675 CA PHE A 44 -4.889 -10.716 5.405 1.00 0.00 C ATOM 676 C PHE A 44 -5.867 -11.863 5.641 1.00 0.00 C ATOM 677 O PHE A 44 -6.551 -12.309 4.720 1.00 0.00 O ATOM 678 CB PHE A 44 -3.465 -11.264 5.277 1.00 0.00 C ATOM 679 CG PHE A 44 -3.245 -12.075 4.032 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.956 -13.244 3.816 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.326 -11.668 3.078 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.754 -13.992 2.672 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.120 -12.412 1.932 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.836 -13.575 1.728 1.00 0.00 C ATOM 0 H PHE A 44 -4.056 -9.485 6.883 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.163 -10.213 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.761 -10.432 5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.242 -11.881 6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.676 -13.574 4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.764 -10.759 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.314 -14.902 2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.400 -12.084 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.679 -14.157 0.832 1.00 0.00 H new ATOM 694 N TRP A 45 -5.927 -12.335 6.881 1.00 0.00 N ATOM 695 CA TRP A 45 -6.822 -13.430 7.239 1.00 0.00 C ATOM 696 C TRP A 45 -8.218 -12.910 7.562 1.00 0.00 C ATOM 697 O TRP A 45 -9.215 -13.445 7.081 1.00 0.00 O ATOM 698 CB TRP A 45 -6.262 -14.203 8.435 1.00 0.00 C ATOM 699 CG TRP A 45 -4.768 -14.321 8.419 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.968 -14.453 7.321 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.896 -14.320 9.555 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.651 -14.534 7.705 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.581 -14.454 9.071 1.00 0.00 C ATOM 704 CE3 TRP A 45 -4.099 -14.216 10.934 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.476 -14.488 9.917 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -3.002 -14.251 11.773 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.703 -14.385 11.263 1.00 0.00 C ATOM 0 H TRP A 45 -5.367 -11.977 7.655 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.895 -14.101 6.383 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.570 -13.707 9.355 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.698 -15.202 8.449 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.319 -14.489 6.300 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.855 -14.637 7.075 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -5.096 -14.110 11.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.475 -14.592 9.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.148 -14.174 12.840 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.866 -14.407 11.945 1.00 0.00 H new ATOM 718 N GLU A 46 -8.280 -11.863 8.380 1.00 0.00 N ATOM 719 CA GLU A 46 -9.555 -11.272 8.767 1.00 0.00 C ATOM 720 C GLU A 46 -10.321 -10.781 7.542 1.00 0.00 C ATOM 721 O GLU A 46 -11.532 -10.568 7.598 1.00 0.00 O ATOM 722 CB GLU A 46 -9.331 -10.113 9.740 1.00 0.00 C ATOM 723 CG GLU A 46 -9.062 -10.560 11.167 1.00 0.00 C ATOM 724 CD GLU A 46 -9.406 -9.492 12.188 1.00 0.00 C ATOM 725 OE1 GLU A 46 -9.048 -8.317 11.960 1.00 0.00 O ATOM 726 OE2 GLU A 46 -10.034 -9.831 13.213 1.00 0.00 O ATOM 0 H GLU A 46 -7.463 -11.408 8.787 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.148 -12.042 9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.490 -9.514 9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.208 -9.466 9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.642 -11.459 11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.010 -10.828 11.268 1.00 0.00 H new ATOM 733 N SER A 47 -9.606 -10.603 6.436 1.00 0.00 N ATOM 734 CA SER A 47 -10.216 -10.133 5.198 1.00 0.00 C ATOM 735 C SER A 47 -9.824 -11.026 4.025 1.00 0.00 C ATOM 736 O SER A 47 -9.046 -11.968 4.181 1.00 0.00 O ATOM 737 CB SER A 47 -9.799 -8.689 4.915 1.00 0.00 C ATOM 738 OG SER A 47 -10.531 -7.780 5.720 1.00 0.00 O ATOM 0 H SER A 47 -8.603 -10.777 6.372 1.00 0.00 H new ATOM 0 HA SER A 47 -11.299 -10.175 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.732 -8.571 5.106 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.962 -8.460 3.862 1.00 0.00 H new ATOM 0 HG SER A 47 -11.214 -7.337 5.175 1.00 0.00 H new ATOM 744 N SER A 48 -10.368 -10.724 2.851 1.00 0.00 N ATOM 745 CA SER A 48 -10.079 -11.501 1.652 1.00 0.00 C ATOM 746 C SER A 48 -8.747 -11.078 1.038 1.00 0.00 C ATOM 747 O SER A 48 -7.851 -11.900 0.847 1.00 0.00 O ATOM 748 CB SER A 48 -11.202 -11.333 0.626 1.00 0.00 C ATOM 749 OG SER A 48 -11.267 -12.449 -0.245 1.00 0.00 O ATOM 0 H SER A 48 -11.012 -9.946 2.705 1.00 0.00 H new ATOM 0 HA SER A 48 -10.011 -12.551 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.155 -11.214 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.037 -10.425 0.047 1.00 0.00 H new ATOM 0 HG SER A 48 -11.993 -12.319 -0.890 1.00 0.00 H new ATOM 755 N ILE A 49 -8.627 -9.791 0.732 1.00 0.00 N ATOM 756 CA ILE A 49 -7.405 -9.258 0.141 1.00 0.00 C ATOM 757 C ILE A 49 -6.882 -8.069 0.940 1.00 0.00 C ATOM 758 O ILE A 49 -7.579 -7.529 1.799 1.00 0.00 O ATOM 759 CB ILE A 49 -7.630 -8.822 -1.319 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.499 -9.846 -2.052 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.296 -8.646 -2.029 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.015 -9.356 -3.386 1.00 0.00 C ATOM 0 H ILE A 49 -9.360 -9.098 0.883 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.667 -10.060 0.163 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.151 -7.864 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.920 -10.756 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.346 -10.111 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.470 -8.338 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.709 -7.884 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.752 -9.590 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.623 -10.133 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.621 -8.463 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.173 -9.118 -4.037 1.00 0.00 H new ATOM 774 N VAL A 50 -5.650 -7.664 0.650 1.00 0.00 N ATOM 775 CA VAL A 50 -5.033 -6.536 1.338 1.00 0.00 C ATOM 776 C VAL A 50 -4.345 -5.600 0.352 1.00 0.00 C ATOM 777 O VAL A 50 -3.251 -5.888 -0.135 1.00 0.00 O ATOM 778 CB VAL A 50 -4.005 -7.011 2.382 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.367 -5.821 3.083 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.660 -7.945 3.389 1.00 0.00 C ATOM 0 H VAL A 50 -5.059 -8.101 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.834 -5.998 1.846 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.219 -7.563 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.644 -6.176 3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.861 -5.194 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.139 -5.239 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.919 -8.271 4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.467 -7.420 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.064 -8.814 2.870 1.00 0.00 H new ATOM 790 N TYR A 51 -4.992 -4.477 0.062 1.00 0.00 N ATOM 791 CA TYR A 51 -4.443 -3.497 -0.869 1.00 0.00 C ATOM 792 C TYR A 51 -3.430 -2.593 -0.173 1.00 0.00 C ATOM 793 O TYR A 51 -3.706 -2.035 0.890 1.00 0.00 O ATOM 794 CB TYR A 51 -5.566 -2.653 -1.474 1.00 0.00 C ATOM 795 CG TYR A 51 -6.296 -3.339 -2.606 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.599 -3.989 -3.617 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.685 -3.339 -2.664 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.263 -4.617 -4.653 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.357 -3.966 -3.696 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.641 -4.603 -4.688 1.00 0.00 C ATOM 801 OH TYR A 51 -8.306 -5.228 -5.718 1.00 0.00 O ATOM 0 H TYR A 51 -5.897 -4.222 0.458 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.933 -4.037 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.282 -2.401 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.148 -1.715 -1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.519 -4.004 -3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.249 -2.840 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.705 -5.116 -5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.437 -3.957 -3.726 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.273 -5.126 -5.593 1.00 0.00 H new ATOM 811 N LEU A 52 -2.257 -2.452 -0.780 1.00 0.00 N ATOM 812 CA LEU A 52 -1.202 -1.615 -0.221 1.00 0.00 C ATOM 813 C LEU A 52 -0.709 -0.601 -1.249 1.00 0.00 C ATOM 814 O LEU A 52 -0.014 -0.954 -2.202 1.00 0.00 O ATOM 815 CB LEU A 52 -0.035 -2.482 0.256 1.00 0.00 C ATOM 816 CG LEU A 52 -0.409 -3.718 1.074 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.730 -4.726 1.070 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.770 -3.325 2.499 1.00 0.00 C ATOM 0 H LEU A 52 -2.013 -2.907 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.615 -1.072 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.531 -2.806 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.631 -1.862 0.856 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.281 -4.184 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.445 -5.599 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.942 -5.031 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.620 -4.271 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.034 -4.217 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.083 -2.835 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.618 -2.641 2.484 1.00 0.00 H new ATOM 830 N VAL A 53 -1.073 0.662 -1.048 1.00 0.00 N ATOM 831 CA VAL A 53 -0.665 1.729 -1.955 1.00 0.00 C ATOM 832 C VAL A 53 0.727 2.243 -1.608 1.00 0.00 C ATOM 833 O VAL A 53 0.946 2.798 -0.531 1.00 0.00 O ATOM 834 CB VAL A 53 -1.659 2.905 -1.919 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.188 4.029 -2.830 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.052 2.438 -2.313 1.00 0.00 C ATOM 0 H VAL A 53 -1.649 0.971 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.652 1.304 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.704 3.289 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.902 4.851 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.211 4.381 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.113 3.661 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.741 3.282 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.026 2.028 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.388 1.669 -1.617 1.00 0.00 H new ATOM 846 N PHE A 54 1.667 2.055 -2.528 1.00 0.00 N ATOM 847 CA PHE A 54 3.041 2.499 -2.320 1.00 0.00 C ATOM 848 C PHE A 54 3.268 3.873 -2.944 1.00 0.00 C ATOM 849 O PHE A 54 2.725 4.183 -4.004 1.00 0.00 O ATOM 850 CB PHE A 54 4.022 1.488 -2.915 1.00 0.00 C ATOM 851 CG PHE A 54 4.025 0.165 -2.204 1.00 0.00 C ATOM 852 CD1 PHE A 54 4.851 -0.048 -1.113 1.00 0.00 C ATOM 853 CD2 PHE A 54 3.201 -0.865 -2.627 1.00 0.00 C ATOM 854 CE1 PHE A 54 4.856 -1.265 -0.457 1.00 0.00 C ATOM 855 CE2 PHE A 54 3.201 -2.084 -1.975 1.00 0.00 C ATOM 856 CZ PHE A 54 4.029 -2.284 -0.888 1.00 0.00 C ATOM 0 H PHE A 54 1.503 1.598 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 54 3.214 2.573 -1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.774 1.327 -3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.027 1.909 -2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.499 0.746 -0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.551 -0.714 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.506 -1.419 0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.554 -2.879 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.030 -3.235 -0.376 1.00 0.00 H new ATOM 866 N SER A 55 4.074 4.693 -2.277 1.00 0.00 N ATOM 867 CA SER A 55 4.370 6.036 -2.762 1.00 0.00 C ATOM 868 C SER A 55 5.724 6.513 -2.246 1.00 0.00 C ATOM 869 O SER A 55 5.908 6.717 -1.046 1.00 0.00 O ATOM 870 CB SER A 55 3.274 7.011 -2.329 1.00 0.00 C ATOM 871 OG SER A 55 3.185 8.108 -3.222 1.00 0.00 O ATOM 0 H SER A 55 4.534 4.451 -1.399 1.00 0.00 H new ATOM 0 HA SER A 55 4.406 6.003 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.316 6.492 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.482 7.373 -1.322 1.00 0.00 H new ATOM 0 HG SER A 55 2.476 8.716 -2.924 1.00 0.00 H new ATOM 877 N VAL A 56 6.671 6.690 -3.163 1.00 0.00 N ATOM 878 CA VAL A 56 8.009 7.145 -2.803 1.00 0.00 C ATOM 879 C VAL A 56 7.981 8.577 -2.281 1.00 0.00 C ATOM 880 O VAL A 56 7.537 9.491 -2.976 1.00 0.00 O ATOM 881 CB VAL A 56 8.970 7.065 -4.003 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.276 7.780 -3.689 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.225 5.616 -4.386 1.00 0.00 C ATOM 0 H VAL A 56 6.536 6.525 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 56 8.368 6.482 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 56 8.505 7.564 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.943 7.713 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.073 8.828 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.749 7.312 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.906 5.579 -5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.669 5.089 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.282 5.140 -4.656 1.00 0.00 H new ATOM 893 N GLN A 57 8.458 8.764 -1.055 1.00 0.00 N ATOM 894 CA GLN A 57 8.487 10.087 -0.441 1.00 0.00 C ATOM 895 C GLN A 57 8.892 11.150 -1.457 1.00 0.00 C ATOM 896 O GLN A 57 8.269 12.206 -1.547 1.00 0.00 O ATOM 897 CB GLN A 57 9.455 10.101 0.743 1.00 0.00 C ATOM 898 CG GLN A 57 9.306 11.321 1.637 1.00 0.00 C ATOM 899 CD GLN A 57 10.564 11.625 2.426 1.00 0.00 C ATOM 900 OE1 GLN A 57 11.608 11.943 1.854 1.00 0.00 O ATOM 901 NE2 GLN A 57 10.473 11.527 3.747 1.00 0.00 N ATOM 0 H GLN A 57 8.829 8.018 -0.467 1.00 0.00 H new ATOM 0 HA GLN A 57 7.483 10.316 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.299 9.202 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.477 10.060 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.048 12.185 1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.478 11.161 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.588 11.260 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.288 11.718 4.330 1.00 0.00 H new ATOM 910 N GLY A 58 9.942 10.862 -2.221 1.00 0.00 N ATOM 911 CA GLY A 58 10.413 11.804 -3.220 1.00 0.00 C ATOM 912 C GLY A 58 9.357 12.122 -4.260 1.00 0.00 C ATOM 913 O GLY A 58 8.572 13.055 -4.093 1.00 0.00 O ATOM 0 H GLY A 58 10.474 9.994 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.723 12.726 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.294 11.394 -3.714 1.00 0.00 H new ATOM 917 N SER A 59 9.338 11.345 -5.338 1.00 0.00 N ATOM 918 CA SER A 59 8.375 11.551 -6.413 1.00 0.00 C ATOM 919 C SER A 59 7.039 12.037 -5.858 1.00 0.00 C ATOM 920 O SER A 59 6.589 11.583 -4.807 1.00 0.00 O ATOM 921 CB SER A 59 8.172 10.256 -7.201 1.00 0.00 C ATOM 922 OG SER A 59 7.499 10.503 -8.423 1.00 0.00 O ATOM 0 H SER A 59 9.979 10.566 -5.490 1.00 0.00 H new ATOM 0 HA SER A 59 8.772 12.315 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.138 9.793 -7.401 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.598 9.549 -6.603 1.00 0.00 H new ATOM 0 HG SER A 59 7.383 9.660 -8.909 1.00 0.00 H new ATOM 928 N GLY A 60 6.409 12.963 -6.575 1.00 0.00 N ATOM 929 CA GLY A 60 5.131 13.495 -6.140 1.00 0.00 C ATOM 930 C GLY A 60 3.957 12.717 -6.702 1.00 0.00 C ATOM 931 O GLY A 60 2.835 13.222 -6.750 1.00 0.00 O ATOM 0 H GLY A 60 6.761 13.354 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.086 13.479 -5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.052 14.538 -6.447 1.00 0.00 H new ATOM 935 N HIS A 61 4.216 11.486 -7.130 1.00 0.00 N ATOM 936 CA HIS A 61 3.171 10.637 -7.693 1.00 0.00 C ATOM 937 C HIS A 61 3.038 9.341 -6.899 1.00 0.00 C ATOM 938 O HIS A 61 3.819 9.078 -5.985 1.00 0.00 O ATOM 939 CB HIS A 61 3.475 10.323 -9.158 1.00 0.00 C ATOM 940 CG HIS A 61 3.292 11.495 -10.072 1.00 0.00 C ATOM 941 ND1 HIS A 61 4.067 12.633 -10.001 1.00 0.00 N ATOM 942 CD2 HIS A 61 2.417 11.700 -11.084 1.00 0.00 C ATOM 943 CE1 HIS A 61 3.676 13.488 -10.929 1.00 0.00 C ATOM 944 NE2 HIS A 61 2.676 12.946 -11.600 1.00 0.00 N ATOM 0 H HIS A 61 5.139 11.054 -7.098 1.00 0.00 H new ATOM 0 HA HIS A 61 2.226 11.177 -7.634 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.502 9.966 -9.239 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.828 9.510 -9.489 1.00 0.00 H new ATOM 0 HD1 HIS A 61 4.824 12.790 -9.336 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.657 11.012 -11.423 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.102 14.464 -11.108 1.00 0.00 H new ATOM 952 N PHE A 62 2.043 8.535 -7.254 1.00 0.00 N ATOM 953 CA PHE A 62 1.806 7.267 -6.574 1.00 0.00 C ATOM 954 C PHE A 62 2.451 6.113 -7.335 1.00 0.00 C ATOM 955 O PHE A 62 1.990 5.729 -8.409 1.00 0.00 O ATOM 956 CB PHE A 62 0.304 7.017 -6.424 1.00 0.00 C ATOM 957 CG PHE A 62 -0.290 7.648 -5.197 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.120 7.064 -3.951 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.018 8.823 -5.288 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.664 7.642 -2.820 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.564 9.405 -4.160 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.388 8.813 -2.925 1.00 0.00 C ATOM 0 H PHE A 62 1.388 8.737 -8.009 1.00 0.00 H new ATOM 0 HA PHE A 62 2.258 7.324 -5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.210 7.401 -7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.124 5.942 -6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.444 6.147 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.160 9.289 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.523 7.178 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.128 10.322 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.816 9.265 -2.043 1.00 0.00 H new ATOM 972 N GLN A 63 3.522 5.565 -6.769 1.00 0.00 N ATOM 973 CA GLN A 63 4.232 4.456 -7.395 1.00 0.00 C ATOM 974 C GLN A 63 3.269 3.335 -7.770 1.00 0.00 C ATOM 975 O GLN A 63 3.595 2.466 -8.577 1.00 0.00 O ATOM 976 CB GLN A 63 5.315 3.921 -6.456 1.00 0.00 C ATOM 977 CG GLN A 63 6.665 4.596 -6.637 1.00 0.00 C ATOM 978 CD GLN A 63 7.040 4.768 -8.096 1.00 0.00 C ATOM 979 OE1 GLN A 63 7.091 3.799 -8.854 1.00 0.00 O ATOM 980 NE2 GLN A 63 7.306 6.006 -8.497 1.00 0.00 N ATOM 0 H GLN A 63 3.916 5.871 -5.879 1.00 0.00 H new ATOM 0 HA GLN A 63 4.701 4.827 -8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.988 4.053 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.429 2.849 -6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.647 5.572 -6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.432 4.006 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.251 6.780 -7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.565 6.183 -9.468 1.00 0.00 H new ATOM 989 N GLY A 64 2.079 3.360 -7.176 1.00 0.00 N ATOM 990 CA GLY A 64 1.086 2.340 -7.460 1.00 0.00 C ATOM 991 C GLY A 64 0.605 1.635 -6.207 1.00 0.00 C ATOM 992 O GLY A 64 0.662 2.192 -5.111 1.00 0.00 O ATOM 0 H GLY A 64 1.785 4.068 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.235 2.796 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.509 1.606 -8.146 1.00 0.00 H new ATOM 996 N PHE A 65 0.129 0.405 -6.369 1.00 0.00 N ATOM 997 CA PHE A 65 -0.367 -0.377 -5.243 1.00 0.00 C ATOM 998 C PHE A 65 -0.193 -1.871 -5.499 1.00 0.00 C ATOM 999 O PHE A 65 0.116 -2.289 -6.615 1.00 0.00 O ATOM 1000 CB PHE A 65 -1.841 -0.061 -4.984 1.00 0.00 C ATOM 1001 CG PHE A 65 -2.778 -0.757 -5.930 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.005 -0.250 -7.199 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.431 -1.918 -5.550 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -3.867 -0.888 -8.071 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.294 -2.561 -6.418 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.512 -2.045 -7.680 1.00 0.00 C ATOM 0 H PHE A 65 0.076 -0.072 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 65 0.215 -0.107 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.091 -0.346 -3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.993 1.016 -5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.503 0.654 -7.511 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.264 -2.326 -4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.036 -0.482 -9.057 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.797 -3.466 -6.109 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.186 -2.545 -8.360 1.00 0.00 H new ATOM 1016 N SER A 66 -0.393 -2.672 -4.457 1.00 0.00 N ATOM 1017 CA SER A 66 -0.254 -4.119 -4.567 1.00 0.00 C ATOM 1018 C SER A 66 -1.146 -4.829 -3.553 1.00 0.00 C ATOM 1019 O SER A 66 -1.356 -4.339 -2.444 1.00 0.00 O ATOM 1020 CB SER A 66 1.204 -4.531 -4.357 1.00 0.00 C ATOM 1021 OG SER A 66 1.482 -4.742 -2.983 1.00 0.00 O ATOM 0 H SER A 66 -0.652 -2.343 -3.527 1.00 0.00 H new ATOM 0 HA SER A 66 -0.566 -4.414 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.412 -5.443 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.864 -3.758 -4.750 1.00 0.00 H new ATOM 0 HG SER A 66 1.044 -4.046 -2.450 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.668 -5.988 -3.943 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.539 -6.766 -3.070 1.00 0.00 C ATOM 1029 C ARG A 67 -1.774 -7.920 -2.428 1.00 0.00 C ATOM 1030 O ARG A 67 -1.329 -8.840 -3.114 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.734 -7.307 -3.856 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.341 -8.141 -5.064 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.561 -8.581 -5.858 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.214 -9.526 -6.917 1.00 0.00 N ATOM 1035 CZ ARG A 67 -4.994 -9.778 -7.962 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.159 -9.159 -8.088 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.608 -10.651 -8.884 1.00 0.00 N ATOM 0 H ARG A 67 -1.503 -6.409 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.901 -6.108 -2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.351 -7.913 -3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.349 -6.470 -4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.677 -7.563 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.783 -9.018 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.285 -9.041 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.043 -7.707 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.324 -10.019 -6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.459 -8.487 -7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.756 -9.354 -8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.712 -11.129 -8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.208 -10.844 -9.686 1.00 0.00 H new ATOM 1051 N MET A 68 -1.625 -7.863 -1.109 1.00 0.00 N ATOM 1052 CA MET A 68 -0.915 -8.903 -0.374 1.00 0.00 C ATOM 1053 C MET A 68 -1.365 -10.290 -0.824 1.00 0.00 C ATOM 1054 O MET A 68 -2.555 -10.606 -0.796 1.00 0.00 O ATOM 1055 CB MET A 68 -1.143 -8.743 1.130 1.00 0.00 C ATOM 1056 CG MET A 68 0.019 -9.235 1.977 1.00 0.00 C ATOM 1057 SD MET A 68 0.128 -8.388 3.565 1.00 0.00 S ATOM 1058 CE MET A 68 0.381 -9.774 4.671 1.00 0.00 C ATOM 0 H MET A 68 -1.987 -7.107 -0.527 1.00 0.00 H new ATOM 0 HA MET A 68 0.149 -8.799 -0.585 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.324 -7.691 1.352 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.044 -9.288 1.412 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.089 -10.306 2.148 1.00 0.00 H new ATOM 0 HG3 MET A 68 0.950 -9.092 1.428 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.661 -9.406 5.658 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.540 -10.352 4.747 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.176 -10.410 4.282 1.00 0.00 H new ATOM 1068 N SER A 69 -0.407 -11.113 -1.238 1.00 0.00 N ATOM 1069 CA SER A 69 -0.707 -12.464 -1.698 1.00 0.00 C ATOM 1070 C SER A 69 -0.306 -13.496 -0.648 1.00 0.00 C ATOM 1071 O SER A 69 -0.914 -14.562 -0.545 1.00 0.00 O ATOM 1072 CB SER A 69 0.019 -12.751 -3.013 1.00 0.00 C ATOM 1073 OG SER A 69 -0.138 -14.106 -3.398 1.00 0.00 O ATOM 0 H SER A 69 0.583 -10.868 -1.264 1.00 0.00 H new ATOM 0 HA SER A 69 -1.782 -12.535 -1.862 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.370 -12.100 -3.796 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.079 -12.521 -2.904 1.00 0.00 H new ATOM 0 HG SER A 69 0.334 -14.263 -4.242 1.00 0.00 H new ATOM 1079 N SER A 70 0.721 -13.171 0.131 1.00 0.00 N ATOM 1080 CA SER A 70 1.206 -14.071 1.171 1.00 0.00 C ATOM 1081 C SER A 70 1.278 -13.356 2.517 1.00 0.00 C ATOM 1082 O SER A 70 1.368 -12.130 2.576 1.00 0.00 O ATOM 1083 CB SER A 70 2.585 -14.619 0.798 1.00 0.00 C ATOM 1084 OG SER A 70 2.887 -15.787 1.542 1.00 0.00 O ATOM 0 H SER A 70 1.233 -12.292 0.062 1.00 0.00 H new ATOM 0 HA SER A 70 0.504 -14.900 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.614 -14.845 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.344 -13.859 0.983 1.00 0.00 H new ATOM 0 HG SER A 70 3.772 -16.119 1.285 1.00 0.00 H new ATOM 1090 N GLU A 71 1.236 -14.132 3.595 1.00 0.00 N ATOM 1091 CA GLU A 71 1.296 -13.574 4.941 1.00 0.00 C ATOM 1092 C GLU A 71 2.742 -13.377 5.385 1.00 0.00 C ATOM 1093 O GLU A 71 3.644 -14.077 4.925 1.00 0.00 O ATOM 1094 CB GLU A 71 0.567 -14.487 5.929 1.00 0.00 C ATOM 1095 CG GLU A 71 1.218 -15.850 6.092 1.00 0.00 C ATOM 1096 CD GLU A 71 0.244 -16.908 6.574 1.00 0.00 C ATOM 1097 OE1 GLU A 71 -0.966 -16.768 6.299 1.00 0.00 O ATOM 1098 OE2 GLU A 71 0.692 -17.874 7.226 1.00 0.00 O ATOM 0 H GLU A 71 1.161 -15.149 3.563 1.00 0.00 H new ATOM 0 HA GLU A 71 0.804 -12.602 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.524 -13.996 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.462 -14.623 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.644 -16.161 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.043 -15.772 6.800 1.00 0.00 H new ATOM 1105 N ILE A 72 2.955 -12.419 6.282 1.00 0.00 N ATOM 1106 CA ILE A 72 4.290 -12.131 6.788 1.00 0.00 C ATOM 1107 C ILE A 72 4.783 -13.245 7.705 1.00 0.00 C ATOM 1108 O ILE A 72 4.051 -13.718 8.573 1.00 0.00 O ATOM 1109 CB ILE A 72 4.325 -10.796 7.556 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.766 -9.668 6.686 1.00 0.00 C ATOM 1111 CG2 ILE A 72 5.745 -10.477 7.999 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.318 -8.460 7.479 1.00 0.00 C ATOM 0 H ILE A 72 2.220 -11.830 6.672 1.00 0.00 H new ATOM 0 HA ILE A 72 4.947 -12.060 5.921 1.00 0.00 H new ATOM 0 HB ILE A 72 3.700 -10.888 8.445 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.528 -9.360 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.922 -10.048 6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.753 -9.531 8.540 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.110 -11.271 8.651 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.391 -10.400 7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.933 -7.700 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.533 -8.753 8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.164 -8.055 8.034 1.00 0.00 H new ATOM 1124 N GLY A 73 6.031 -13.658 7.508 1.00 0.00 N ATOM 1125 CA GLY A 73 6.602 -14.712 8.326 1.00 0.00 C ATOM 1126 C GLY A 73 7.742 -15.432 7.632 1.00 0.00 C ATOM 1127 O GLY A 73 8.700 -14.803 7.183 1.00 0.00 O ATOM 0 H GLY A 73 6.657 -13.281 6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.962 -14.286 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.824 -15.431 8.581 1.00 0.00 H new ATOM 1131 N ARG A 74 7.640 -16.754 7.546 1.00 0.00 N ATOM 1132 CA ARG A 74 8.672 -17.560 6.905 1.00 0.00 C ATOM 1133 C ARG A 74 9.297 -16.810 5.732 1.00 0.00 C ATOM 1134 O ARG A 74 10.517 -16.791 5.576 1.00 0.00 O ATOM 1135 CB ARG A 74 8.085 -18.887 6.421 1.00 0.00 C ATOM 1136 CG ARG A 74 9.033 -19.688 5.543 1.00 0.00 C ATOM 1137 CD ARG A 74 9.898 -20.627 6.368 1.00 0.00 C ATOM 1138 NE ARG A 74 9.178 -21.839 6.752 1.00 0.00 N ATOM 1139 CZ ARG A 74 9.775 -22.938 7.200 1.00 0.00 C ATOM 1140 NH1 ARG A 74 11.095 -22.977 7.321 1.00 0.00 N ATOM 1141 NH2 ARG A 74 9.052 -24.000 7.528 1.00 0.00 N ATOM 0 H ARG A 74 6.853 -17.290 7.912 1.00 0.00 H new ATOM 0 HA ARG A 74 9.450 -17.762 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.808 -19.489 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.169 -18.688 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.459 -20.264 4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.670 -19.007 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.786 -20.898 5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.242 -20.110 7.264 1.00 0.00 H new ATOM 0 HE ARG A 74 8.161 -21.841 6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.654 -22.162 7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.551 -23.822 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.036 -23.974 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.511 -24.843 7.872 1.00 0.00 H new ATOM 1155 N GLU A 75 8.451 -16.195 4.912 1.00 0.00 N ATOM 1156 CA GLU A 75 8.921 -15.445 3.753 1.00 0.00 C ATOM 1157 C GLU A 75 9.978 -14.421 4.159 1.00 0.00 C ATOM 1158 O GLU A 75 9.724 -13.545 4.986 1.00 0.00 O ATOM 1159 CB GLU A 75 7.751 -14.740 3.064 1.00 0.00 C ATOM 1160 CG GLU A 75 7.083 -15.580 1.988 1.00 0.00 C ATOM 1161 CD GLU A 75 6.369 -16.792 2.553 1.00 0.00 C ATOM 1162 OE1 GLU A 75 5.646 -16.638 3.560 1.00 0.00 O ATOM 1163 OE2 GLU A 75 6.533 -17.894 1.989 1.00 0.00 O ATOM 0 H GLU A 75 7.438 -16.201 5.028 1.00 0.00 H new ATOM 0 HA GLU A 75 9.372 -16.151 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.009 -14.468 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.108 -13.812 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.368 -14.964 1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.834 -15.908 1.270 1.00 0.00 H new ATOM 1170 N LYS A 76 11.164 -14.539 3.572 1.00 0.00 N ATOM 1171 CA LYS A 76 12.260 -13.625 3.870 1.00 0.00 C ATOM 1172 C LYS A 76 13.106 -13.366 2.628 1.00 0.00 C ATOM 1173 O LYS A 76 13.008 -14.090 1.637 1.00 0.00 O ATOM 1174 CB LYS A 76 13.136 -14.195 4.988 1.00 0.00 C ATOM 1175 CG LYS A 76 12.467 -14.184 6.351 1.00 0.00 C ATOM 1176 CD LYS A 76 12.358 -12.774 6.908 1.00 0.00 C ATOM 1177 CE LYS A 76 13.572 -12.411 7.750 1.00 0.00 C ATOM 1178 NZ LYS A 76 14.643 -11.776 6.934 1.00 0.00 N ATOM 0 H LYS A 76 11.391 -15.259 2.886 1.00 0.00 H new ATOM 0 HA LYS A 76 11.832 -12.678 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.411 -15.219 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.061 -13.621 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.472 -14.623 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.036 -14.806 7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.258 -12.064 6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.456 -12.690 7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.271 -11.731 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.964 -13.309 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.247 -11.192 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.220 -12.515 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.212 -11.177 6.201 1.00 0.00 H new ATOM 1192 N SER A 77 13.937 -12.331 2.689 1.00 0.00 N ATOM 1193 CA SER A 77 14.799 -11.976 1.568 1.00 0.00 C ATOM 1194 C SER A 77 16.129 -11.413 2.061 1.00 0.00 C ATOM 1195 O SER A 77 16.379 -11.350 3.264 1.00 0.00 O ATOM 1196 CB SER A 77 14.104 -10.955 0.665 1.00 0.00 C ATOM 1197 OG SER A 77 14.607 -11.016 -0.658 1.00 0.00 O ATOM 0 H SER A 77 14.032 -11.723 3.503 1.00 0.00 H new ATOM 0 HA SER A 77 14.998 -12.882 0.995 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.030 -11.143 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.249 -9.952 1.066 1.00 0.00 H new ATOM 0 HG SER A 77 14.145 -10.355 -1.214 1.00 0.00 H new ATOM 1203 N GLN A 78 16.977 -11.005 1.122 1.00 0.00 N ATOM 1204 CA GLN A 78 18.281 -10.448 1.461 1.00 0.00 C ATOM 1205 C GLN A 78 18.410 -9.016 0.953 1.00 0.00 C ATOM 1206 O GLN A 78 18.649 -8.090 1.729 1.00 0.00 O ATOM 1207 CB GLN A 78 19.397 -11.313 0.873 1.00 0.00 C ATOM 1208 CG GLN A 78 20.779 -10.965 1.402 1.00 0.00 C ATOM 1209 CD GLN A 78 21.139 -11.744 2.652 1.00 0.00 C ATOM 1210 OE1 GLN A 78 20.344 -11.841 3.587 1.00 0.00 O ATOM 1211 NE2 GLN A 78 22.342 -12.305 2.674 1.00 0.00 N ATOM 0 H GLN A 78 16.784 -11.050 0.121 1.00 0.00 H new ATOM 0 HA GLN A 78 18.373 -10.438 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.187 -12.360 1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 78 19.395 -11.206 -0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 78 21.521 -11.164 0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 78 20.823 -9.898 1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 78 22.969 -12.199 1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 78 22.639 -12.842 3.488 1.00 0.00 H new ATOM 1220 N ASP A 79 18.250 -8.841 -0.354 1.00 0.00 N ATOM 1221 CA ASP A 79 18.348 -7.521 -0.967 1.00 0.00 C ATOM 1222 C ASP A 79 17.408 -6.534 -0.283 1.00 0.00 C ATOM 1223 O ASP A 79 16.187 -6.684 -0.338 1.00 0.00 O ATOM 1224 CB ASP A 79 18.024 -7.603 -2.459 1.00 0.00 C ATOM 1225 CG ASP A 79 19.103 -8.320 -3.247 1.00 0.00 C ATOM 1226 OD1 ASP A 79 19.654 -9.314 -2.730 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.395 -7.887 -4.381 1.00 0.00 O ATOM 0 H ASP A 79 18.052 -9.597 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 79 19.371 -7.165 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.075 -8.121 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.897 -6.596 -2.856 1.00 0.00 H new ATOM 1232 N TRP A 80 17.984 -5.525 0.361 1.00 0.00 N ATOM 1233 CA TRP A 80 17.197 -4.513 1.057 1.00 0.00 C ATOM 1234 C TRP A 80 18.063 -3.319 1.441 1.00 0.00 C ATOM 1235 O TRP A 80 19.270 -3.453 1.636 1.00 0.00 O ATOM 1236 CB TRP A 80 16.548 -5.112 2.306 1.00 0.00 C ATOM 1237 CG TRP A 80 15.294 -5.879 2.015 1.00 0.00 C ATOM 1238 CD1 TRP A 80 14.992 -7.144 2.432 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.176 -5.431 1.242 1.00 0.00 C ATOM 1240 NE1 TRP A 80 13.752 -7.509 1.964 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.231 -6.476 1.232 1.00 0.00 C ATOM 1242 CE3 TRP A 80 13.879 -4.249 0.558 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.013 -6.372 0.565 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.670 -4.147 -0.103 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.749 -5.203 -0.096 1.00 0.00 C ATOM 0 H TRP A 80 18.993 -5.386 0.416 1.00 0.00 H new ATOM 0 HA TRP A 80 16.415 -4.168 0.381 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.263 -5.772 2.797 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.320 -4.310 3.008 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.633 -7.766 3.040 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.294 -8.404 2.135 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.582 -3.430 0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.302 -7.185 0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.431 -3.238 -0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.813 -5.092 -0.622 1.00 0.00 H new ATOM 1256 N GLY A 81 17.438 -2.150 1.548 1.00 0.00 N ATOM 1257 CA GLY A 81 18.169 -0.949 1.909 1.00 0.00 C ATOM 1258 C GLY A 81 18.279 -0.767 3.410 1.00 0.00 C ATOM 1259 O GLY A 81 19.318 -0.342 3.916 1.00 0.00 O ATOM 0 H GLY A 81 16.439 -2.013 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.169 -0.992 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.672 -0.081 1.476 1.00 0.00 H new ATOM 1263 N SER A 82 17.205 -1.087 4.124 1.00 0.00 N ATOM 1264 CA SER A 82 17.183 -0.951 5.576 1.00 0.00 C ATOM 1265 C SER A 82 17.230 -2.319 6.251 1.00 0.00 C ATOM 1266 O SER A 82 16.251 -3.064 6.236 1.00 0.00 O ATOM 1267 CB SER A 82 15.930 -0.193 6.020 1.00 0.00 C ATOM 1268 OG SER A 82 15.897 1.108 5.461 1.00 0.00 O ATOM 0 H SER A 82 16.338 -1.442 3.721 1.00 0.00 H new ATOM 0 HA SER A 82 18.066 -0.387 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.040 -0.745 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.908 -0.126 7.108 1.00 0.00 H new ATOM 0 HG SER A 82 15.086 1.571 5.758 1.00 0.00 H new ATOM 1274 N ALA A 83 18.376 -2.641 6.842 1.00 0.00 N ATOM 1275 CA ALA A 83 18.552 -3.917 7.524 1.00 0.00 C ATOM 1276 C ALA A 83 17.528 -4.087 8.641 1.00 0.00 C ATOM 1277 O ALA A 83 17.093 -5.200 8.934 1.00 0.00 O ATOM 1278 CB ALA A 83 19.964 -4.029 8.078 1.00 0.00 C ATOM 0 H ALA A 83 19.197 -2.035 6.862 1.00 0.00 H new ATOM 0 HA ALA A 83 18.395 -4.714 6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.081 -4.987 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.682 -3.961 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.142 -3.220 8.786 1.00 0.00 H new ATOM 1284 N GLY A 84 17.147 -2.976 9.264 1.00 0.00 N ATOM 1285 CA GLY A 84 16.178 -3.024 10.343 1.00 0.00 C ATOM 1286 C GLY A 84 14.851 -3.610 9.904 1.00 0.00 C ATOM 1287 O GLY A 84 13.896 -2.877 9.642 1.00 0.00 O ATOM 0 H GLY A 84 17.493 -2.043 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.581 -3.619 11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.017 -2.017 10.728 1.00 0.00 H new ATOM 1291 N LEU A 85 14.789 -4.935 9.822 1.00 0.00 N ATOM 1292 CA LEU A 85 13.568 -5.619 9.409 1.00 0.00 C ATOM 1293 C LEU A 85 13.389 -6.924 10.179 1.00 0.00 C ATOM 1294 O LEU A 85 14.296 -7.373 10.879 1.00 0.00 O ATOM 1295 CB LEU A 85 13.601 -5.901 7.906 1.00 0.00 C ATOM 1296 CG LEU A 85 13.908 -4.705 7.005 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.363 -5.173 5.632 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.691 -3.800 6.886 1.00 0.00 C ATOM 0 H LEU A 85 15.569 -5.556 10.036 1.00 0.00 H new ATOM 0 HA LEU A 85 12.723 -4.968 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.347 -6.673 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.635 -6.313 7.613 1.00 0.00 H new ATOM 0 HG LEU A 85 14.718 -4.133 7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.577 -4.307 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.264 -5.779 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.575 -5.769 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.928 -2.954 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.861 -4.361 6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.411 -3.435 7.874 1.00 0.00 H new ATOM 1310 N GLY A 86 12.213 -7.529 10.043 1.00 0.00 N ATOM 1311 CA GLY A 86 11.937 -8.778 10.729 1.00 0.00 C ATOM 1312 C GLY A 86 10.679 -9.453 10.221 1.00 0.00 C ATOM 1313 O GLY A 86 9.660 -9.481 10.909 1.00 0.00 O ATOM 0 H GLY A 86 11.446 -7.177 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.784 -9.453 10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.837 -8.588 11.798 1.00 0.00 H new ATOM 1317 N GLY A 87 10.750 -9.999 9.011 1.00 0.00 N ATOM 1318 CA GLY A 87 9.600 -10.668 8.431 1.00 0.00 C ATOM 1319 C GLY A 87 9.160 -10.038 7.125 1.00 0.00 C ATOM 1320 O GLY A 87 8.592 -8.945 7.115 1.00 0.00 O ATOM 0 H GLY A 87 11.583 -9.990 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.841 -11.717 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.773 -10.642 9.140 1.00 0.00 H new ATOM 1324 N VAL A 88 9.423 -10.726 6.018 1.00 0.00 N ATOM 1325 CA VAL A 88 9.050 -10.226 4.700 1.00 0.00 C ATOM 1326 C VAL A 88 7.822 -10.953 4.164 1.00 0.00 C ATOM 1327 O VAL A 88 7.538 -12.086 4.554 1.00 0.00 O ATOM 1328 CB VAL A 88 10.205 -10.382 3.694 1.00 0.00 C ATOM 1329 CG1 VAL A 88 9.839 -9.752 2.359 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.482 -9.769 4.250 1.00 0.00 C ATOM 0 H VAL A 88 9.893 -11.631 6.008 1.00 0.00 H new ATOM 0 HA VAL A 88 8.820 -9.167 4.816 1.00 0.00 H new ATOM 0 HB VAL A 88 10.381 -11.445 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.667 -9.872 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.952 -10.241 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.635 -8.691 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.288 -9.888 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.322 -8.708 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.752 -10.271 5.179 1.00 0.00 H new ATOM 1340 N PHE A 89 7.096 -10.294 3.267 1.00 0.00 N ATOM 1341 CA PHE A 89 5.897 -10.876 2.677 1.00 0.00 C ATOM 1342 C PHE A 89 5.811 -10.552 1.188 1.00 0.00 C ATOM 1343 O PHE A 89 6.346 -9.543 0.729 1.00 0.00 O ATOM 1344 CB PHE A 89 4.647 -10.363 3.395 1.00 0.00 C ATOM 1345 CG PHE A 89 4.454 -8.879 3.274 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.201 -8.003 4.045 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.524 -8.358 2.388 1.00 0.00 C ATOM 1348 CE1 PHE A 89 5.024 -6.637 3.936 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.343 -6.993 2.274 1.00 0.00 C ATOM 1350 CZ PHE A 89 4.095 -6.131 3.048 1.00 0.00 C ATOM 0 H PHE A 89 7.318 -9.356 2.933 1.00 0.00 H new ATOM 0 HA PHE A 89 5.955 -11.958 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.771 -10.870 2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.709 -10.629 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.930 -8.393 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.934 -9.027 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.612 -5.966 4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.614 -6.600 1.580 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.957 -5.064 2.959 1.00 0.00 H new ATOM 1360 N LYS A 90 5.133 -11.415 0.439 1.00 0.00 N ATOM 1361 CA LYS A 90 4.975 -11.222 -0.998 1.00 0.00 C ATOM 1362 C LYS A 90 3.894 -10.186 -1.292 1.00 0.00 C ATOM 1363 O LYS A 90 3.100 -9.838 -0.418 1.00 0.00 O ATOM 1364 CB LYS A 90 4.622 -12.548 -1.675 1.00 0.00 C ATOM 1365 CG LYS A 90 5.836 -13.339 -2.132 1.00 0.00 C ATOM 1366 CD LYS A 90 5.477 -14.783 -2.439 1.00 0.00 C ATOM 1367 CE LYS A 90 5.623 -15.667 -1.210 1.00 0.00 C ATOM 1368 NZ LYS A 90 5.899 -17.084 -1.575 1.00 0.00 N ATOM 0 H LYS A 90 4.684 -12.255 0.803 1.00 0.00 H new ATOM 0 HA LYS A 90 5.922 -10.857 -1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.042 -13.157 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.984 -12.348 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.262 -12.872 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.603 -13.310 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.452 -14.834 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.119 -15.157 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.432 -15.289 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.711 -15.616 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.992 -17.654 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.115 -17.453 -2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.783 -17.136 -2.120 1.00 0.00 H new ATOM 1382 N VAL A 91 3.870 -9.698 -2.528 1.00 0.00 N ATOM 1383 CA VAL A 91 2.885 -8.704 -2.938 1.00 0.00 C ATOM 1384 C VAL A 91 2.552 -8.838 -4.419 1.00 0.00 C ATOM 1385 O VAL A 91 3.444 -8.987 -5.254 1.00 0.00 O ATOM 1386 CB VAL A 91 3.384 -7.273 -2.662 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.255 -6.938 -1.184 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.822 -7.111 -3.131 1.00 0.00 C ATOM 0 H VAL A 91 4.521 -9.975 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 91 1.986 -8.887 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 91 2.762 -6.575 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.612 -5.923 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.210 -7.012 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.850 -7.639 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.158 -6.094 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.460 -7.817 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.880 -7.306 -4.202 1.00 0.00 H new ATOM 1398 N GLU A 92 1.263 -8.784 -4.738 1.00 0.00 N ATOM 1399 CA GLU A 92 0.813 -8.900 -6.120 1.00 0.00 C ATOM 1400 C GLU A 92 0.664 -7.523 -6.761 1.00 0.00 C ATOM 1401 O GLU A 92 -0.297 -6.802 -6.493 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.518 -9.651 -6.185 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.704 -10.451 -7.464 1.00 0.00 C ATOM 1404 CD GLU A 92 0.547 -11.208 -7.866 1.00 0.00 C ATOM 1405 OE1 GLU A 92 0.779 -12.304 -7.315 1.00 0.00 O ATOM 1406 OE2 GLU A 92 1.294 -10.703 -8.730 1.00 0.00 O ATOM 0 H GLU A 92 0.512 -8.661 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 92 1.566 -9.461 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.587 -10.325 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.334 -8.935 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.524 -11.157 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.991 -9.777 -8.271 1.00 0.00 H new ATOM 1413 N TRP A 93 1.622 -7.165 -7.609 1.00 0.00 N ATOM 1414 CA TRP A 93 1.599 -5.875 -8.288 1.00 0.00 C ATOM 1415 C TRP A 93 0.523 -5.848 -9.368 1.00 0.00 C ATOM 1416 O TRP A 93 0.418 -6.771 -10.175 1.00 0.00 O ATOM 1417 CB TRP A 93 2.966 -5.575 -8.905 1.00 0.00 C ATOM 1418 CG TRP A 93 3.929 -4.953 -7.940 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.900 -5.594 -7.223 1.00 0.00 C ATOM 1420 CD2 TRP A 93 4.014 -3.569 -7.585 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.582 -4.690 -6.444 1.00 0.00 N ATOM 1422 CE2 TRP A 93 5.058 -3.441 -6.648 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.310 -2.424 -7.968 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.413 -2.216 -6.091 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 3.663 -1.208 -7.414 1.00 0.00 C ATOM 1426 CH2 TRP A 93 4.707 -1.111 -6.484 1.00 0.00 C ATOM 0 H TRP A 93 2.424 -7.750 -7.842 1.00 0.00 H new ATOM 0 HA TRP A 93 1.366 -5.108 -7.549 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.394 -6.501 -9.289 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.834 -4.908 -9.757 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.102 -6.654 -7.263 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.354 -4.913 -5.815 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.504 -2.488 -8.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.217 -2.140 -5.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.125 -0.317 -7.703 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.959 -0.146 -6.070 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.273 -4.784 -9.377 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.340 -4.637 -10.360 1.00 0.00 C ATOM 1439 C ILE A 94 -0.984 -3.586 -11.405 1.00 0.00 C ATOM 1440 O ILE A 94 -0.893 -3.885 -12.596 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.672 -4.250 -9.691 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -2.967 -5.183 -8.515 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -3.805 -4.292 -10.705 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.234 -4.806 -7.247 1.00 0.00 C ATOM 0 H ILE A 94 -0.199 -4.011 -8.715 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.456 -5.605 -10.847 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.589 -3.232 -9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.039 -5.181 -8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.696 -6.202 -8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.740 -4.016 -10.217 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.596 -3.591 -11.513 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.892 -5.299 -11.112 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.490 -5.510 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.159 -4.836 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.523 -3.799 -6.945 1.00 0.00 H new ATOM 1456 N ARG A 95 -0.781 -2.353 -10.951 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.434 -1.256 -11.847 1.00 0.00 C ATOM 1458 C ARG A 95 0.787 -0.500 -11.332 1.00 0.00 C ATOM 1459 O ARG A 95 0.817 -0.055 -10.184 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.617 -0.297 -11.995 1.00 0.00 C ATOM 1461 CG ARG A 95 -2.967 -0.995 -12.022 1.00 0.00 C ATOM 1462 CD ARG A 95 -3.174 -1.758 -13.321 1.00 0.00 C ATOM 1463 NE ARG A 95 -3.101 -0.882 -14.488 1.00 0.00 N ATOM 1464 CZ ARG A 95 -3.355 -1.287 -15.727 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -3.698 -2.547 -15.960 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -3.267 -0.431 -16.737 1.00 0.00 N ATOM 0 H ARG A 95 -0.851 -2.089 -9.968 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.193 -1.678 -12.823 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.602 0.415 -11.170 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.496 0.277 -12.914 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.039 -1.683 -11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.761 -0.258 -11.901 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.419 -2.540 -13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.145 -2.253 -13.300 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.841 0.094 -14.343 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.767 -3.208 -15.186 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.892 -2.855 -16.913 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.004 0.539 -16.562 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.462 -0.743 -17.688 1.00 0.00 H new ATOM 1480 N LYS A 96 1.793 -0.357 -12.188 1.00 0.00 N ATOM 1481 CA LYS A 96 3.016 0.346 -11.822 1.00 0.00 C ATOM 1482 C LYS A 96 3.075 1.718 -12.485 1.00 0.00 C ATOM 1483 O LYS A 96 4.156 2.241 -12.756 1.00 0.00 O ATOM 1484 CB LYS A 96 4.242 -0.478 -12.222 1.00 0.00 C ATOM 1485 CG LYS A 96 4.652 -1.504 -11.179 1.00 0.00 C ATOM 1486 CD LYS A 96 3.977 -2.844 -11.419 1.00 0.00 C ATOM 1487 CE LYS A 96 4.814 -3.736 -12.322 1.00 0.00 C ATOM 1488 NZ LYS A 96 4.007 -4.836 -12.918 1.00 0.00 N ATOM 0 H LYS A 96 1.785 -0.719 -13.141 1.00 0.00 H new ATOM 0 HA LYS A 96 3.015 0.484 -10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.034 -0.990 -13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.079 0.196 -12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.734 -1.632 -11.199 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.393 -1.138 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.810 -3.344 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.998 -2.684 -11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.254 -3.136 -13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.639 -4.160 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.614 -5.421 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.608 -5.424 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.235 -4.432 -13.485 1.00 0.00 H new ATOM 1502 N GLU A 97 1.906 2.297 -12.743 1.00 0.00 N ATOM 1503 CA GLU A 97 1.826 3.609 -13.374 1.00 0.00 C ATOM 1504 C GLU A 97 1.943 4.720 -12.335 1.00 0.00 C ATOM 1505 O GLU A 97 1.536 4.555 -11.185 1.00 0.00 O ATOM 1506 CB GLU A 97 0.510 3.750 -14.142 1.00 0.00 C ATOM 1507 CG GLU A 97 0.588 4.721 -15.308 1.00 0.00 C ATOM 1508 CD GLU A 97 1.680 4.360 -16.296 1.00 0.00 C ATOM 1509 OE1 GLU A 97 1.923 3.152 -16.498 1.00 0.00 O ATOM 1510 OE2 GLU A 97 2.291 5.287 -16.869 1.00 0.00 O ATOM 0 H GLU A 97 1.002 1.878 -12.525 1.00 0.00 H new ATOM 0 HA GLU A 97 2.658 3.700 -14.073 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.210 2.771 -14.515 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.268 4.082 -13.455 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.372 4.741 -15.824 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.766 5.727 -14.927 1.00 0.00 H new ATOM 1517 N SER A 98 2.503 5.852 -12.749 1.00 0.00 N ATOM 1518 CA SER A 98 2.679 6.990 -11.854 1.00 0.00 C ATOM 1519 C SER A 98 1.479 7.930 -11.928 1.00 0.00 C ATOM 1520 O SER A 98 1.336 8.701 -12.877 1.00 0.00 O ATOM 1521 CB SER A 98 3.958 7.751 -12.206 1.00 0.00 C ATOM 1522 OG SER A 98 4.925 6.886 -12.777 1.00 0.00 O ATOM 0 H SER A 98 2.843 6.006 -13.698 1.00 0.00 H new ATOM 0 HA SER A 98 2.760 6.610 -10.836 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.726 8.555 -12.905 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.366 8.217 -11.309 1.00 0.00 H new ATOM 0 HG SER A 98 5.733 7.397 -12.995 1.00 0.00 H new ATOM 1528 N LEU A 99 0.618 7.859 -10.919 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.572 8.702 -10.867 1.00 0.00 C ATOM 1530 C LEU A 99 -0.291 9.993 -10.104 1.00 0.00 C ATOM 1531 O LEU A 99 0.170 9.980 -8.962 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.728 7.948 -10.209 1.00 0.00 C ATOM 1533 CG LEU A 99 -2.996 8.761 -9.945 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.823 8.889 -11.214 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.817 8.123 -8.833 1.00 0.00 C ATOM 0 H LEU A 99 0.721 7.226 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.850 8.959 -11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.989 7.100 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.377 7.541 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.703 9.761 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.721 9.471 -11.006 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.235 9.391 -11.982 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.107 7.897 -11.565 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.716 8.715 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.100 7.111 -9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.224 8.085 -7.919 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.577 11.135 -10.746 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.367 12.455 -10.146 1.00 0.00 C ATOM 1549 C PRO A 100 -1.342 12.737 -9.007 1.00 0.00 C ATOM 1550 O PRO A 100 -2.547 12.525 -9.143 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.612 13.418 -11.310 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.513 12.674 -12.234 1.00 0.00 C ATOM 1553 CD PRO A 100 -1.129 11.225 -12.109 1.00 0.00 C ATOM 0 HA PRO A 100 0.624 12.546 -9.701 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.074 14.344 -10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.322 13.690 -11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.559 12.825 -11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.394 13.022 -13.260 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.990 10.569 -12.238 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.393 10.938 -12.860 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.813 13.215 -7.886 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.637 13.525 -6.724 1.00 0.00 C ATOM 1563 C PHE A 101 -2.900 14.276 -7.137 1.00 0.00 C ATOM 1564 O PHE A 101 -3.992 13.991 -6.646 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.842 14.357 -5.715 1.00 0.00 C ATOM 1566 CG PHE A 101 0.055 13.535 -4.835 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.450 12.464 -4.116 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.404 13.833 -4.727 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.373 11.707 -3.304 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.232 13.079 -3.917 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.716 12.013 -3.206 1.00 0.00 C ATOM 0 H PHE A 101 0.183 13.396 -7.758 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.931 12.585 -6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.239 15.088 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.537 14.917 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.499 12.218 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.813 14.664 -5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.034 10.876 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.281 13.323 -3.840 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.361 11.420 -2.575 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.740 15.237 -8.041 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.866 16.030 -8.519 1.00 0.00 C ATOM 1583 C GLN A 102 -5.108 15.163 -8.694 1.00 0.00 C ATOM 1584 O GLN A 102 -6.231 15.613 -8.465 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.513 16.709 -9.844 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.711 17.322 -10.551 1.00 0.00 C ATOM 1587 CD GLN A 102 -4.329 18.488 -11.442 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -3.299 18.458 -12.116 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -5.159 19.524 -11.450 1.00 0.00 N ATOM 0 H GLN A 102 -1.842 15.485 -8.457 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.082 16.795 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.774 17.488 -9.658 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.047 15.978 -10.504 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.204 16.557 -11.151 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.433 17.659 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.002 19.507 -10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.954 20.337 -12.030 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.899 13.915 -9.101 1.00 0.00 N ATOM 1599 CA PHE A 103 -6.002 12.984 -9.308 1.00 0.00 C ATOM 1600 C PHE A 103 -6.609 12.554 -7.976 1.00 0.00 C ATOM 1601 O PHE A 103 -7.828 12.478 -7.832 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.522 11.755 -10.083 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.554 11.936 -11.574 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -4.872 12.983 -12.172 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.265 11.059 -12.376 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -4.899 13.152 -13.544 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.295 11.222 -13.748 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.612 12.271 -14.333 1.00 0.00 C ATOM 0 H PHE A 103 -3.976 13.525 -9.294 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.770 13.494 -9.889 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.504 11.517 -9.776 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.144 10.901 -9.815 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.313 13.675 -11.560 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.802 10.238 -11.924 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.363 13.972 -13.998 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.852 10.530 -14.362 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.636 12.402 -15.405 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.747 12.273 -7.004 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.196 11.852 -5.682 1.00 0.00 C ATOM 1620 C ALA A 104 -6.208 13.024 -4.707 1.00 0.00 C ATOM 1621 O ALA A 104 -6.199 12.833 -3.491 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.309 10.733 -5.155 1.00 0.00 C ATOM 0 H ALA A 104 -4.734 12.329 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.216 11.480 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.656 10.428 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.355 9.882 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.280 11.086 -5.085 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.227 14.238 -5.249 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.240 15.442 -4.426 1.00 0.00 C ATOM 1630 C HIS A 105 -7.622 15.673 -3.823 1.00 0.00 C ATOM 1631 O HIS A 105 -7.760 16.343 -2.798 1.00 0.00 O ATOM 1632 CB HIS A 105 -5.823 16.657 -5.255 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.382 17.825 -4.427 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -5.643 17.932 -3.077 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -4.693 18.940 -4.765 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.135 19.062 -2.621 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -4.553 19.693 -3.625 1.00 0.00 N ATOM 0 H HIS A 105 -6.234 14.414 -6.254 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.527 15.304 -3.613 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.012 16.369 -5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.660 16.963 -5.883 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.149 17.245 -2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.322 19.191 -5.748 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.187 19.411 -1.600 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.644 15.116 -4.466 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.016 15.262 -3.993 1.00 0.00 C ATOM 1647 C HIS A 106 -10.341 14.210 -2.937 1.00 0.00 C ATOM 1648 O HIS A 106 -11.170 14.437 -2.054 1.00 0.00 O ATOM 1649 CB HIS A 106 -10.995 15.149 -5.162 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.083 13.769 -5.738 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.046 13.173 -6.424 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.092 12.868 -5.726 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.414 11.965 -6.810 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.652 11.755 -6.399 1.00 0.00 N ATOM 0 H HIS A 106 -8.548 14.560 -5.316 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.116 16.248 -3.540 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.985 15.458 -4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.693 15.843 -5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.063 13.000 -5.272 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.806 11.267 -7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.193 10.905 -6.556 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.686 13.059 -3.034 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.906 11.971 -2.088 1.00 0.00 C ATOM 1664 C LEU A 107 -9.234 12.267 -0.751 1.00 0.00 C ATOM 1665 O LEU A 107 -8.151 12.854 -0.705 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.372 10.656 -2.660 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.903 10.259 -4.038 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.224 8.988 -4.525 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.413 10.078 -3.996 1.00 0.00 C ATOM 0 H LEU A 107 -8.998 12.855 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.979 11.879 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.285 10.722 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.606 9.856 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.674 11.061 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.614 8.720 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.149 9.154 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.422 8.178 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.773 9.796 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.666 9.295 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.883 11.013 -3.692 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.880 11.856 0.334 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.344 12.075 1.673 1.00 0.00 C ATOM 1683 C LEU A 108 -9.578 10.856 2.559 1.00 0.00 C ATOM 1684 O LEU A 108 -10.143 9.856 2.119 1.00 0.00 O ATOM 1685 CB LEU A 108 -9.987 13.311 2.305 1.00 0.00 C ATOM 1686 CG LEU A 108 -10.063 14.556 1.420 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -11.090 15.536 1.964 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.696 15.217 1.313 1.00 0.00 C ATOM 0 H LEU A 108 -10.776 11.369 0.313 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.270 12.237 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.998 13.050 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.430 13.565 3.207 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.377 14.251 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.130 16.415 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.070 15.060 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.807 15.837 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.768 16.101 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.354 15.509 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.986 14.515 0.876 1.00 0.00 H new ATOM 1700 N ASN A 109 -9.140 10.949 3.811 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.303 9.854 4.760 1.00 0.00 C ATOM 1702 C ASN A 109 -9.922 10.351 6.064 1.00 0.00 C ATOM 1703 O ASN A 109 -9.289 11.054 6.851 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.954 9.191 5.043 1.00 0.00 C ATOM 1705 CG ASN A 109 -8.104 7.800 5.629 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -9.078 7.100 5.352 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -7.137 7.394 6.443 1.00 0.00 N ATOM 0 H ASN A 109 -8.670 11.771 4.191 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.975 9.119 4.316 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.380 9.133 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.384 9.813 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.183 6.468 6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.348 8.008 6.644 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.189 9.978 6.298 1.00 0.00 N ATOM 1715 CA PRO A 110 -11.920 10.374 7.505 1.00 0.00 C ATOM 1716 C PRO A 110 -11.384 9.690 8.758 1.00 0.00 C ATOM 1717 O PRO A 110 -11.872 9.927 9.863 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.352 9.916 7.218 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.205 8.801 6.241 1.00 0.00 C ATOM 1720 CD PRO A 110 -12.004 9.140 5.402 1.00 0.00 C ATOM 0 HA PRO A 110 -11.831 11.442 7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.851 9.582 8.128 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.952 10.727 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -13.067 7.849 6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -14.098 8.704 5.623 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.466 8.245 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.285 9.676 4.495 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.378 8.842 8.579 1.00 0.00 N ATOM 1729 CA TRP A 111 -9.775 8.124 9.696 1.00 0.00 C ATOM 1730 C TRP A 111 -8.585 8.894 10.259 1.00 0.00 C ATOM 1731 O TRP A 111 -8.326 8.861 11.461 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.332 6.728 9.253 1.00 0.00 C ATOM 1733 CG TRP A 111 -10.475 5.781 9.047 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -11.807 6.070 9.139 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -10.386 4.391 8.717 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -12.551 4.943 8.886 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -11.703 3.900 8.623 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -9.323 3.513 8.489 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -11.982 2.572 8.312 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -9.601 2.195 8.181 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -10.922 1.734 8.094 1.00 0.00 C ATOM 0 H TRP A 111 -9.962 8.635 7.671 1.00 0.00 H new ATOM 0 HA TRP A 111 -10.525 8.027 10.481 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.766 6.811 8.325 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -8.657 6.314 10.002 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.215 7.041 9.376 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -13.570 4.891 8.893 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -8.302 3.859 8.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -12.999 2.215 8.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -8.787 1.508 8.004 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -11.107 0.698 7.850 1.00 0.00 H new ATOM 1752 N ASN A 112 -7.864 9.585 9.382 1.00 0.00 N ATOM 1753 CA ASN A 112 -6.701 10.362 9.792 1.00 0.00 C ATOM 1754 C ASN A 112 -7.035 11.850 9.854 1.00 0.00 C ATOM 1755 O ASN A 112 -6.412 12.665 9.174 1.00 0.00 O ATOM 1756 CB ASN A 112 -5.538 10.129 8.825 1.00 0.00 C ATOM 1757 CG ASN A 112 -4.207 10.568 9.404 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -3.733 10.008 10.392 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -3.598 11.575 8.789 1.00 0.00 N ATOM 0 H ASN A 112 -8.065 9.622 8.383 1.00 0.00 H new ATOM 0 HA ASN A 112 -6.408 10.031 10.788 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.488 9.071 8.569 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.725 10.672 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.700 11.914 9.133 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.029 12.009 7.973 1.00 0.00 H new ATOM 1766 N ASP A 113 -8.021 12.195 10.675 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.437 13.584 10.828 1.00 0.00 C ATOM 1768 C ASP A 113 -8.918 14.157 9.499 1.00 0.00 C ATOM 1769 O ASP A 113 -8.640 15.309 9.171 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.283 14.427 11.373 1.00 0.00 C ATOM 1771 CG ASP A 113 -7.766 15.662 12.109 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -7.932 16.715 11.458 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -7.978 15.575 13.336 1.00 0.00 O ATOM 0 H ASP A 113 -8.547 11.532 11.245 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.265 13.613 11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.679 13.819 12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.636 14.728 10.549 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.641 13.342 8.737 1.00 0.00 N ATOM 1779 CA ASN A 114 -10.160 13.768 7.442 1.00 0.00 C ATOM 1780 C ASN A 114 -9.050 14.357 6.577 1.00 0.00 C ATOM 1781 O ASN A 114 -9.286 15.255 5.769 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.276 14.797 7.629 1.00 0.00 C ATOM 1783 CG ASN A 114 -12.464 14.232 8.384 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -12.305 13.406 9.284 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -13.662 14.675 8.020 1.00 0.00 N ATOM 0 H ASN A 114 -9.880 12.384 8.994 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.564 12.892 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.884 15.660 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.605 15.153 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.498 14.330 8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.746 15.360 7.269 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.836 13.845 6.753 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.688 14.318 5.989 1.00 0.00 C ATOM 1794 C LYS A 115 -6.635 13.653 4.618 1.00 0.00 C ATOM 1795 O LYS A 115 -7.094 12.523 4.446 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.391 14.039 6.753 1.00 0.00 C ATOM 1797 CG LYS A 115 -5.077 15.076 7.818 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.660 16.400 7.201 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.775 17.541 8.201 1.00 0.00 C ATOM 1800 NZ LYS A 115 -3.532 17.699 9.006 1.00 0.00 N ATOM 0 H LYS A 115 -7.622 13.102 7.418 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.796 15.393 5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.460 13.058 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.564 13.996 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.953 15.227 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.279 14.707 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.632 16.329 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.285 16.611 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.985 18.470 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.618 17.357 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.650 18.486 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.345 16.822 9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.732 17.900 8.373 1.00 0.00 H new ATOM 1814 N LYS A 116 -6.072 14.359 3.644 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.957 13.837 2.287 1.00 0.00 C ATOM 1816 C LYS A 116 -5.222 12.500 2.280 1.00 0.00 C ATOM 1817 O LYS A 116 -4.292 12.288 3.058 1.00 0.00 O ATOM 1818 CB LYS A 116 -5.224 14.839 1.393 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.841 14.277 0.035 1.00 0.00 C ATOM 1820 CD LYS A 116 -4.879 15.347 -1.043 1.00 0.00 C ATOM 1821 CE LYS A 116 -4.045 16.559 -0.654 1.00 0.00 C ATOM 1822 NZ LYS A 116 -4.789 17.476 0.253 1.00 0.00 N ATOM 0 H LYS A 116 -5.688 15.295 3.769 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.963 13.681 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.857 15.715 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.323 15.177 1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.841 13.847 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.522 13.468 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -4.507 14.934 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -5.910 15.654 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.129 16.228 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.748 17.099 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.552 18.462 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.812 17.329 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.524 17.279 1.239 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.644 11.603 1.395 1.00 0.00 N ATOM 1837 CA VAL A 117 -5.024 10.288 1.284 1.00 0.00 C ATOM 1838 C VAL A 117 -3.504 10.399 1.239 1.00 0.00 C ATOM 1839 O VAL A 117 -2.797 9.623 1.882 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.511 9.541 0.028 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.244 8.049 0.156 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -6.990 9.808 -0.210 1.00 0.00 C ATOM 0 H VAL A 117 -6.413 11.763 0.744 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.318 9.724 2.169 1.00 0.00 H new ATOM 0 HB VAL A 117 -4.955 9.912 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.595 7.538 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.174 7.880 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.772 7.658 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.318 9.273 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.565 9.466 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.149 10.877 -0.350 1.00 0.00 H new ATOM 1852 N GLN A 118 -3.010 11.368 0.477 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.573 11.581 0.348 1.00 0.00 C ATOM 1854 C GLN A 118 -0.940 11.861 1.707 1.00 0.00 C ATOM 1855 O GLN A 118 0.237 11.572 1.926 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.291 12.741 -0.609 1.00 0.00 C ATOM 1857 CG GLN A 118 -1.211 14.093 0.082 1.00 0.00 C ATOM 1858 CD GLN A 118 0.195 14.435 0.534 1.00 0.00 C ATOM 1859 OE1 GLN A 118 1.029 13.551 0.729 1.00 0.00 O ATOM 1860 NE2 GLN A 118 0.465 15.724 0.704 1.00 0.00 N ATOM 0 H GLN A 118 -3.583 12.018 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.131 10.671 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.352 12.552 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.074 12.775 -1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.568 14.866 -0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.877 14.096 0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.257 16.423 0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.394 16.015 1.008 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.728 12.425 2.616 1.00 0.00 N ATOM 1870 CA ILE A 119 -1.245 12.744 3.953 1.00 0.00 C ATOM 1871 C ILE A 119 -1.254 11.510 4.849 1.00 0.00 C ATOM 1872 O ILE A 119 -2.078 11.396 5.757 1.00 0.00 O ATOM 1873 CB ILE A 119 -2.093 13.849 4.610 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -2.130 15.092 3.719 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.541 14.193 5.986 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -3.100 16.150 4.198 1.00 0.00 C ATOM 0 H ILE A 119 -2.704 12.670 2.450 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.221 13.102 3.842 1.00 0.00 H new ATOM 0 HB ILE A 119 -3.112 13.481 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.130 15.523 3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.400 14.795 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -2.151 14.975 6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.562 13.306 6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.514 14.545 5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -3.074 17.002 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.108 15.736 4.221 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.818 16.475 5.199 1.00 0.00 H new ATOM 1888 N SER A 120 -0.330 10.590 4.590 1.00 0.00 N ATOM 1889 CA SER A 120 -0.233 9.363 5.372 1.00 0.00 C ATOM 1890 C SER A 120 1.193 8.822 5.358 1.00 0.00 C ATOM 1891 O SER A 120 1.825 8.734 4.305 1.00 0.00 O ATOM 1892 CB SER A 120 -1.197 8.308 4.826 1.00 0.00 C ATOM 1893 OG SER A 120 -2.470 8.414 5.439 1.00 0.00 O ATOM 0 H SER A 120 0.362 10.671 3.845 1.00 0.00 H new ATOM 0 HA SER A 120 -0.505 9.595 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.298 8.427 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.788 7.313 5.000 1.00 0.00 H new ATOM 0 HG SER A 120 -2.648 9.351 5.664 1.00 0.00 H new ATOM 1899 N ARG A 121 1.694 8.460 6.534 1.00 0.00 N ATOM 1900 CA ARG A 121 3.046 7.928 6.659 1.00 0.00 C ATOM 1901 C ARG A 121 3.060 6.420 6.426 1.00 0.00 C ATOM 1902 O ARG A 121 2.011 5.798 6.257 1.00 0.00 O ATOM 1903 CB ARG A 121 3.617 8.247 8.042 1.00 0.00 C ATOM 1904 CG ARG A 121 3.800 9.734 8.297 1.00 0.00 C ATOM 1905 CD ARG A 121 4.245 10.004 9.725 1.00 0.00 C ATOM 1906 NE ARG A 121 5.624 9.582 9.957 1.00 0.00 N ATOM 1907 CZ ARG A 121 6.680 10.207 9.447 1.00 0.00 C ATOM 1908 NH1 ARG A 121 6.514 11.277 8.681 1.00 0.00 N ATOM 1909 NH2 ARG A 121 7.903 9.763 9.704 1.00 0.00 N ATOM 0 H ARG A 121 1.184 8.525 7.415 1.00 0.00 H new ATOM 0 HA ARG A 121 3.668 8.402 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.954 7.835 8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.579 7.747 8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 121 4.538 10.135 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.863 10.256 8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 121 4.151 11.069 9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.584 9.480 10.416 1.00 0.00 H new ATOM 0 HE ARG A 121 5.785 8.763 10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.575 11.621 8.483 1.00 0.00 H new ATOM 0 HH12 ARG A 121 7.326 11.755 8.290 1.00 0.00 H new ATOM 0 HH21 ARG A 121 8.034 8.941 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 121 8.713 10.243 9.312 1.00 0.00 H new ATOM 1923 N ASP A 122 4.255 5.840 6.418 1.00 0.00 N ATOM 1924 CA ASP A 122 4.407 4.405 6.207 1.00 0.00 C ATOM 1925 C ASP A 122 3.766 3.617 7.345 1.00 0.00 C ATOM 1926 O ASP A 122 4.192 3.712 8.495 1.00 0.00 O ATOM 1927 CB ASP A 122 5.887 4.039 6.087 1.00 0.00 C ATOM 1928 CG ASP A 122 6.169 2.616 6.526 1.00 0.00 C ATOM 1929 OD1 ASP A 122 5.457 1.699 6.063 1.00 0.00 O ATOM 1930 OD2 ASP A 122 7.102 2.418 7.332 1.00 0.00 O ATOM 0 H ASP A 122 5.133 6.341 6.555 1.00 0.00 H new ATOM 0 HA ASP A 122 3.900 4.144 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 122 6.207 4.167 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 122 6.478 4.727 6.692 1.00 0.00 H new ATOM 1935 N GLY A 123 2.738 2.840 7.016 1.00 0.00 N ATOM 1936 CA GLY A 123 2.054 2.049 8.022 1.00 0.00 C ATOM 1937 C GLY A 123 0.743 2.672 8.457 1.00 0.00 C ATOM 1938 O GLY A 123 0.190 2.307 9.494 1.00 0.00 O ATOM 0 H GLY A 123 2.367 2.744 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.865 1.050 7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.703 1.932 8.890 1.00 0.00 H new ATOM 1942 N GLN A 124 0.246 3.615 7.664 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.008 4.292 7.976 1.00 0.00 C ATOM 1944 C GLN A 124 -2.176 3.635 7.249 1.00 0.00 C ATOM 1945 O GLN A 124 -2.205 3.585 6.019 1.00 0.00 O ATOM 1946 CB GLN A 124 -0.922 5.771 7.595 1.00 0.00 C ATOM 1947 CG GLN A 124 -0.034 6.587 8.522 1.00 0.00 C ATOM 1948 CD GLN A 124 -0.320 6.321 9.987 1.00 0.00 C ATOM 1949 OE1 GLN A 124 0.565 5.911 10.739 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -1.560 6.553 10.400 1.00 0.00 N ATOM 0 H GLN A 124 0.691 3.928 6.801 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.179 4.210 9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.543 5.854 6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -1.925 6.197 7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 124 1.011 6.358 8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -0.176 7.648 8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.262 6.892 9.742 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -1.811 6.392 11.375 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.137 3.132 8.017 1.00 0.00 N ATOM 1960 CA GLU A 125 -4.308 2.477 7.444 1.00 0.00 C ATOM 1961 C GLU A 125 -5.173 3.477 6.683 1.00 0.00 C ATOM 1962 O GLU A 125 -5.196 4.666 7.004 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.133 1.805 8.544 1.00 0.00 C ATOM 1964 CG GLU A 125 -5.953 2.780 9.371 1.00 0.00 C ATOM 1965 CD GLU A 125 -5.204 3.288 10.587 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -3.955 3.291 10.556 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -5.865 3.683 11.570 1.00 0.00 O ATOM 0 H GLU A 125 -3.128 3.165 9.036 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.961 1.717 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.802 1.075 8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -4.463 1.255 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -6.242 3.626 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.873 2.293 9.693 1.00 0.00 H new ATOM 1974 N LEU A 126 -5.884 2.987 5.674 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.751 3.837 4.865 1.00 0.00 C ATOM 1976 C LEU A 126 -8.168 3.273 4.810 1.00 0.00 C ATOM 1977 O LEU A 126 -8.362 2.058 4.801 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.189 3.973 3.449 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.901 4.973 2.538 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.666 6.396 3.019 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -6.433 4.811 1.099 1.00 0.00 C ATOM 0 H LEU A 126 -5.878 2.006 5.396 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.789 4.822 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.140 4.261 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.218 2.993 2.972 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.971 4.771 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -7.181 7.093 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.051 6.506 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.597 6.611 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.950 5.531 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.358 4.985 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.654 3.800 0.756 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.153 4.165 4.771 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.551 3.755 4.714 1.00 0.00 C ATOM 1995 C GLU A 127 -10.846 3.002 3.420 1.00 0.00 C ATOM 1996 O GLU A 127 -10.369 3.358 2.343 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.468 4.975 4.827 1.00 0.00 C ATOM 1998 CG GLU A 127 -12.866 4.642 5.322 1.00 0.00 C ATOM 1999 CD GLU A 127 -13.697 5.880 5.597 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -13.775 6.753 4.708 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.271 5.974 6.703 1.00 0.00 O ATOM 0 H GLU A 127 -9.009 5.175 4.778 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.741 3.087 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.014 5.698 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.542 5.455 3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.373 4.026 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -12.793 4.048 6.233 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.650 1.934 3.528 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.027 1.107 2.377 1.00 0.00 C ATOM 2010 C PRO A 128 -12.963 1.838 1.420 1.00 0.00 C ATOM 2011 O PRO A 128 -13.232 1.361 0.318 1.00 0.00 O ATOM 2012 CB PRO A 128 -12.741 -0.086 3.017 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.257 0.432 4.315 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.254 1.451 4.781 1.00 0.00 C ATOM 0 HA PRO A 128 -11.163 0.830 1.773 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.552 -0.448 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.058 -0.922 3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.242 0.882 4.192 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.363 -0.373 5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.731 2.260 5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.509 1.008 5.442 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.454 2.996 1.849 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.360 3.792 1.029 1.00 0.00 C ATOM 2024 C GLN A 129 -13.582 4.742 0.124 1.00 0.00 C ATOM 2025 O GLN A 129 -13.949 4.955 -1.031 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.321 4.585 1.916 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.677 4.832 1.275 1.00 0.00 C ATOM 2028 CD GLN A 129 -16.700 6.085 0.423 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -16.447 6.037 -0.781 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -17.005 7.218 1.045 1.00 0.00 N ATOM 0 H GLN A 129 -13.240 3.404 2.759 1.00 0.00 H new ATOM 0 HA GLN A 129 -14.935 3.111 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.464 4.048 2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -14.866 5.544 2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.945 3.974 0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.434 4.914 2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -17.208 7.212 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -17.036 8.094 0.523 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.506 5.311 0.658 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.676 6.239 -0.102 1.00 0.00 C ATOM 2041 C VAL A 130 -10.506 5.517 -0.760 1.00 0.00 C ATOM 2042 O VAL A 130 -9.986 5.959 -1.784 1.00 0.00 O ATOM 2043 CB VAL A 130 -11.131 7.367 0.795 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.270 8.089 1.497 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.138 6.811 1.804 1.00 0.00 C ATOM 0 H VAL A 130 -12.189 5.146 1.613 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.311 6.673 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.610 8.089 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.865 8.882 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.940 8.521 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.823 7.382 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.763 7.621 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.633 6.068 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.306 6.345 1.277 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.096 4.401 -0.164 1.00 0.00 N ATOM 2056 CA GLY A 131 -8.989 3.634 -0.707 1.00 0.00 C ATOM 2057 C GLY A 131 -9.357 2.913 -1.988 1.00 0.00 C ATOM 2058 O GLY A 131 -8.492 2.625 -2.815 1.00 0.00 O ATOM 0 H GLY A 131 -10.510 4.015 0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.148 4.301 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.657 2.906 0.034 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.643 2.620 -2.153 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.122 1.926 -3.342 1.00 0.00 C ATOM 2064 C GLU A 132 -11.240 2.886 -4.522 1.00 0.00 C ATOM 2065 O GLU A 132 -10.769 2.595 -5.621 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.477 1.270 -3.067 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.642 2.245 -3.095 1.00 0.00 C ATOM 2068 CD GLU A 132 -14.965 1.583 -2.763 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.025 0.853 -1.751 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -15.939 1.793 -3.514 1.00 0.00 O ATOM 0 H GLU A 132 -11.372 2.853 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.397 1.153 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.650 0.489 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.445 0.784 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.454 3.050 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.706 2.701 -4.083 1.00 0.00 H new ATOM 2077 N GLN A 133 -11.872 4.031 -4.285 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.054 5.033 -5.328 1.00 0.00 C ATOM 2079 C GLN A 133 -10.723 5.680 -5.699 1.00 0.00 C ATOM 2080 O GLN A 133 -10.633 6.424 -6.676 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.044 6.104 -4.869 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.645 6.785 -3.569 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.724 7.709 -3.039 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.854 7.707 -3.528 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -13.380 8.505 -2.034 1.00 0.00 N ATOM 0 H GLN A 133 -12.266 4.288 -3.380 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.454 4.534 -6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.139 6.858 -5.650 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.027 5.649 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.422 6.026 -2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.730 7.355 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.432 8.473 -1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -14.064 9.149 -1.636 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.692 5.392 -4.913 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.365 5.945 -5.158 1.00 0.00 C ATOM 2096 C LEU A 134 -7.603 5.103 -6.176 1.00 0.00 C ATOM 2097 O LEU A 134 -6.790 5.621 -6.943 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.574 6.025 -3.851 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.062 6.203 -3.991 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.724 7.645 -4.335 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.354 5.777 -2.713 1.00 0.00 C ATOM 0 H LEU A 134 -9.749 4.778 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.487 6.949 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -7.965 6.856 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.761 5.115 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.714 5.566 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.644 7.753 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.200 7.916 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.085 8.302 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.279 5.911 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.706 6.387 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.569 4.728 -2.510 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.872 3.802 -6.179 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.214 2.887 -7.105 1.00 0.00 C ATOM 2115 C LEU A 135 -7.802 3.014 -8.507 1.00 0.00 C ATOM 2116 O LEU A 135 -7.069 3.070 -9.494 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.349 1.445 -6.612 1.00 0.00 C ATOM 2118 CG LEU A 135 -6.696 1.133 -5.265 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -6.745 -0.361 -4.982 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.260 1.636 -5.239 1.00 0.00 C ATOM 0 H LEU A 135 -8.541 3.357 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.158 3.152 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.410 1.203 -6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.919 0.783 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.254 1.649 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.276 -0.565 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -7.783 -0.693 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.211 -0.898 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.811 1.405 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.689 1.149 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.249 2.715 -5.396 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.128 3.060 -8.585 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.813 3.182 -9.866 1.00 0.00 C ATOM 2134 C GLN A 136 -9.232 4.328 -10.687 1.00 0.00 C ATOM 2135 O GLN A 136 -9.320 4.332 -11.916 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.311 3.404 -9.647 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.626 4.593 -8.755 1.00 0.00 C ATOM 2138 CD GLN A 136 -11.763 5.887 -9.533 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -10.987 6.824 -9.343 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -12.753 5.946 -10.416 1.00 0.00 N ATOM 0 H GLN A 136 -9.749 3.015 -7.777 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.667 2.254 -10.418 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.794 3.548 -10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.742 2.505 -9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -12.552 4.400 -8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -10.837 4.703 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -13.373 5.146 -10.541 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -12.894 6.792 -10.969 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.639 5.300 -10.002 1.00 0.00 N ATOM 2150 CA LEU A 137 -8.043 6.452 -10.668 1.00 0.00 C ATOM 2151 C LEU A 137 -7.052 6.010 -11.739 1.00 0.00 C ATOM 2152 O LEU A 137 -6.979 6.604 -12.815 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.342 7.350 -9.647 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.249 8.259 -8.817 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.470 8.888 -7.672 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.872 9.335 -9.695 1.00 0.00 C ATOM 0 H LEU A 137 -8.558 5.313 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.842 7.015 -11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.774 6.717 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.622 7.974 -10.176 1.00 0.00 H new ATOM 0 HG LEU A 137 -9.051 7.653 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -8.132 9.532 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -7.072 8.103 -7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.648 9.480 -8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.514 9.973 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.084 9.938 -10.146 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.464 8.866 -10.480 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.292 4.963 -11.439 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.306 4.439 -12.377 1.00 0.00 C ATOM 2170 C TRP A 138 -5.963 4.057 -13.699 1.00 0.00 C ATOM 2171 O TRP A 138 -5.303 4.001 -14.736 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.595 3.225 -11.777 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.343 3.578 -11.033 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -2.066 3.549 -11.517 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.248 4.012 -9.672 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.183 3.938 -10.539 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.883 4.228 -9.398 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.183 4.241 -8.659 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.434 4.661 -8.153 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.735 4.670 -7.424 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.371 4.877 -7.180 1.00 0.00 C ATOM 0 H TRP A 138 -6.340 4.460 -10.553 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.572 5.222 -12.570 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.278 2.710 -11.101 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.349 2.525 -12.576 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.791 3.262 -12.521 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.170 4.001 -10.645 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.237 4.086 -8.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.383 4.821 -7.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.449 4.849 -6.633 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -2.053 5.214 -6.204 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.266 3.796 -13.655 1.00 0.00 N ATOM 2193 CA GLU A 139 -8.010 3.418 -14.851 1.00 0.00 C ATOM 2194 C GLU A 139 -8.299 4.639 -15.719 1.00 0.00 C ATOM 2195 O GLU A 139 -8.544 4.516 -16.919 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.321 2.729 -14.466 1.00 0.00 C ATOM 2197 CG GLU A 139 -9.160 1.674 -13.385 1.00 0.00 C ATOM 2198 CD GLU A 139 -10.332 0.714 -13.327 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -11.488 1.186 -13.356 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -10.093 -0.509 -13.253 1.00 0.00 O ATOM 0 H GLU A 139 -7.828 3.839 -12.805 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.398 2.722 -15.425 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.031 3.482 -14.124 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.752 2.265 -15.353 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.244 1.112 -13.565 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -9.049 2.164 -12.418 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.271 5.816 -15.103 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.532 7.060 -15.818 1.00 0.00 C ATOM 2209 C ARG A 140 -7.302 7.503 -16.605 1.00 0.00 C ATOM 2210 O ARG A 140 -7.398 8.325 -17.517 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.947 8.159 -14.839 1.00 0.00 C ATOM 2212 CG ARG A 140 -10.249 7.866 -14.111 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.852 9.129 -13.517 1.00 0.00 C ATOM 2214 NE ARG A 140 -11.127 10.136 -14.538 1.00 0.00 N ATOM 2215 CZ ARG A 140 -11.856 11.225 -14.319 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -12.380 11.446 -13.121 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -12.062 12.095 -15.299 1.00 0.00 N ATOM 0 H ARG A 140 -8.070 5.935 -14.110 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.347 6.882 -16.520 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.153 8.299 -14.105 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.048 9.099 -15.382 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.959 7.413 -14.802 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -10.068 7.140 -13.318 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.776 8.879 -12.996 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.169 9.542 -12.775 1.00 0.00 H new ATOM 0 HE ARG A 140 -10.738 9.996 -15.470 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.224 10.779 -12.365 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -12.939 12.283 -12.955 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -11.661 11.928 -16.222 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -12.622 12.931 -15.130 1.00 0.00 H new ATOM 2231 N LEU A 141 -6.147 6.953 -16.246 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.897 7.292 -16.918 1.00 0.00 C ATOM 2233 C LEU A 141 -4.905 6.802 -18.362 1.00 0.00 C ATOM 2234 O LEU A 141 -5.533 5.793 -18.683 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.711 6.684 -16.168 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.638 6.984 -14.670 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.496 6.213 -14.026 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.476 8.478 -14.433 1.00 0.00 C ATOM 0 H LEU A 141 -6.050 6.271 -15.494 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.798 8.378 -16.923 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.739 5.602 -16.300 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.792 7.039 -16.634 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.572 6.662 -14.208 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.460 6.439 -12.960 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.655 5.144 -14.165 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.554 6.503 -14.491 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.426 8.673 -13.362 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.558 8.824 -14.908 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.328 9.008 -14.859 1.00 0.00 H new TER 2250 LEU A 141