USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 862 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 86 MET CE :methyl -131:sc= -0.895 (180deg=-3.64!) USER MOD Set 2.2: A 88 THR OG1 : rot 170:sc= -0.85 USER MOD Set 3.1: A 67 THR OG1 : rot 180:sc= -0.693! USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 51 LYS NZ :NH3+ -113:sc= -0.725 (180deg=-1.6!) USER MOD Set 4.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.00247 (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 26:sc= 0.237 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 164:sc= -4.99! (180deg=-5.4!) USER MOD Single : A 10 MET CE :methyl 158:sc= -0.984 (180deg=-2.57!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.18 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.201 F(o=-0.96,f=-0.2) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 29:sc= 0.00277 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-3.3!) USER MOD Single : A 38 GLN : amide:sc= -0.543 K(o=-0.54,f=-3.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -61:sc= 0.402 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00236 USER MOD Single : A 53 ASN : amide:sc= -0.48 K(o=-0.48,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.698 K(o=-0.7,f=-2.3!) USER MOD Single : A 66 THR OG1 : rot 17:sc= 1.02 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.012) USER MOD Single : A 79 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 79:sc= -0.791 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00616 USER MOD Single : A 97 SER OG : rot -69:sc= -1.16 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.318 F(o=-1,f=-0.32) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 163:sc= 0.717 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.686 -14.347 14.198 1.00 0.00 N ATOM 2 CA GLY A 1 0.619 -14.839 13.797 1.00 0.00 C ATOM 3 C GLY A 1 1.751 -13.998 14.351 1.00 0.00 C ATOM 4 O GLY A 1 1.676 -12.769 14.357 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.381 -14.560 13.454 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.974 -14.810 15.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.639 -13.318 14.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.736 -15.868 14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.680 -14.853 12.709 1.00 0.00 H new ATOM 8 N SER A 2 2.803 -14.660 14.821 1.00 0.00 N ATOM 9 CA SER A 2 3.954 -13.966 15.386 1.00 0.00 C ATOM 10 C SER A 2 5.255 -14.493 14.786 1.00 0.00 C ATOM 11 O SER A 2 5.265 -15.513 14.098 1.00 0.00 O ATOM 12 CB SER A 2 3.978 -14.127 16.907 1.00 0.00 C ATOM 13 OG SER A 2 3.033 -13.272 17.526 1.00 0.00 O ATOM 0 H SER A 2 2.882 -15.677 14.822 1.00 0.00 H new ATOM 0 HA SER A 2 3.864 -12.908 15.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.762 -15.163 17.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.976 -13.904 17.284 1.00 0.00 H new ATOM 0 HG SER A 2 3.067 -13.396 18.498 1.00 0.00 H new ATOM 19 N SER A 3 6.350 -13.789 15.054 1.00 0.00 N ATOM 20 CA SER A 3 7.656 -14.182 14.539 1.00 0.00 C ATOM 21 C SER A 3 8.777 -13.564 15.369 1.00 0.00 C ATOM 22 O SER A 3 8.670 -12.428 15.828 1.00 0.00 O ATOM 23 CB SER A 3 7.799 -13.760 13.075 1.00 0.00 C ATOM 24 OG SER A 3 8.832 -14.488 12.433 1.00 0.00 O ATOM 0 H SER A 3 6.359 -12.944 15.625 1.00 0.00 H new ATOM 0 HA SER A 3 7.733 -15.267 14.607 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.856 -13.923 12.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.014 -12.693 13.020 1.00 0.00 H new ATOM 0 HG SER A 3 8.902 -14.201 11.499 1.00 0.00 H new ATOM 30 N GLY A 4 9.852 -14.323 15.559 1.00 0.00 N ATOM 31 CA GLY A 4 10.978 -13.834 16.334 1.00 0.00 C ATOM 32 C GLY A 4 11.752 -12.749 15.612 1.00 0.00 C ATOM 33 O GLY A 4 12.262 -12.968 14.513 1.00 0.00 O ATOM 0 H GLY A 4 9.963 -15.267 15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.618 -13.446 17.287 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.647 -14.664 16.560 1.00 0.00 H new ATOM 37 N SER A 5 11.839 -11.575 16.229 1.00 0.00 N ATOM 38 CA SER A 5 12.551 -10.450 15.635 1.00 0.00 C ATOM 39 C SER A 5 13.126 -9.539 16.716 1.00 0.00 C ATOM 40 O SER A 5 12.529 -9.365 17.778 1.00 0.00 O ATOM 41 CB SER A 5 11.618 -9.652 14.723 1.00 0.00 C ATOM 42 OG SER A 5 11.573 -10.214 13.423 1.00 0.00 O ATOM 0 H SER A 5 11.425 -11.378 17.140 1.00 0.00 H new ATOM 0 HA SER A 5 13.375 -10.846 15.042 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.615 -9.634 15.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.958 -8.618 14.664 1.00 0.00 H new ATOM 0 HG SER A 5 11.790 -11.168 13.472 1.00 0.00 H new ATOM 48 N SER A 6 14.289 -8.961 16.437 1.00 0.00 N ATOM 49 CA SER A 6 14.948 -8.071 17.386 1.00 0.00 C ATOM 50 C SER A 6 14.385 -6.656 17.284 1.00 0.00 C ATOM 51 O SER A 6 13.633 -6.212 18.151 1.00 0.00 O ATOM 52 CB SER A 6 16.457 -8.050 17.135 1.00 0.00 C ATOM 53 OG SER A 6 17.025 -9.333 17.335 1.00 0.00 O ATOM 0 H SER A 6 14.795 -9.093 15.561 1.00 0.00 H new ATOM 0 HA SER A 6 14.759 -8.448 18.391 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.655 -7.716 16.116 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.930 -7.331 17.804 1.00 0.00 H new ATOM 0 HG SER A 6 17.990 -9.294 17.167 1.00 0.00 H new ATOM 59 N GLY A 7 14.755 -5.953 16.218 1.00 0.00 N ATOM 60 CA GLY A 7 14.278 -4.597 16.022 1.00 0.00 C ATOM 61 C GLY A 7 14.643 -4.045 14.658 1.00 0.00 C ATOM 62 O GLY A 7 15.277 -2.996 14.538 1.00 0.00 O ATOM 0 H GLY A 7 15.377 -6.299 15.487 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.195 -4.576 16.141 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.697 -3.953 16.795 1.00 0.00 H new ATOM 66 N PRO A 8 14.241 -4.762 13.599 1.00 0.00 N ATOM 67 CA PRO A 8 14.519 -4.358 12.217 1.00 0.00 C ATOM 68 C PRO A 8 13.729 -3.122 11.804 1.00 0.00 C ATOM 69 O PRO A 8 13.061 -2.497 12.628 1.00 0.00 O ATOM 70 CB PRO A 8 14.079 -5.573 11.397 1.00 0.00 C ATOM 71 CG PRO A 8 13.058 -6.252 12.243 1.00 0.00 C ATOM 72 CD PRO A 8 13.482 -6.023 13.668 1.00 0.00 C ATOM 0 HA PRO A 8 15.565 -4.087 12.074 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.660 -5.272 10.437 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.920 -6.233 11.185 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.065 -5.842 12.061 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.009 -7.317 12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.623 -5.939 14.334 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.097 -6.842 14.041 1.00 0.00 H new ATOM 80 N MET A 9 13.809 -2.774 10.524 1.00 0.00 N ATOM 81 CA MET A 9 13.099 -1.612 10.002 1.00 0.00 C ATOM 82 C MET A 9 11.610 -1.694 10.326 1.00 0.00 C ATOM 83 O MET A 9 10.953 -2.688 10.018 1.00 0.00 O ATOM 84 CB MET A 9 13.298 -1.503 8.489 1.00 0.00 C ATOM 85 CG MET A 9 14.734 -1.210 8.085 1.00 0.00 C ATOM 86 SD MET A 9 14.939 -1.076 6.299 1.00 0.00 S ATOM 87 CE MET A 9 14.062 0.452 5.971 1.00 0.00 C ATOM 0 H MET A 9 14.358 -3.280 9.829 1.00 0.00 H new ATOM 0 HA MET A 9 13.509 -0.722 10.480 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.980 -2.435 8.021 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.652 -0.715 8.102 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.057 -0.281 8.555 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.382 -2.001 8.463 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.331 0.821 4.981 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.988 0.271 6.011 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.333 1.195 6.721 1.00 0.00 H new ATOM 97 N MET A 10 11.086 -0.644 10.949 1.00 0.00 N ATOM 98 CA MET A 10 9.675 -0.598 11.314 1.00 0.00 C ATOM 99 C MET A 10 8.813 -0.237 10.108 1.00 0.00 C ATOM 100 O MET A 10 9.182 0.595 9.278 1.00 0.00 O ATOM 101 CB MET A 10 9.449 0.414 12.438 1.00 0.00 C ATOM 102 CG MET A 10 9.414 1.856 11.959 1.00 0.00 C ATOM 103 SD MET A 10 11.062 2.542 11.700 1.00 0.00 S ATOM 104 CE MET A 10 11.150 2.544 9.911 1.00 0.00 C ATOM 0 H MET A 10 11.617 0.186 11.212 1.00 0.00 H new ATOM 0 HA MET A 10 9.384 -1.589 11.663 1.00 0.00 H new ATOM 0 HB2 MET A 10 8.509 0.184 12.940 1.00 0.00 H new ATOM 0 HB3 MET A 10 10.241 0.305 13.179 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.851 1.912 11.027 1.00 0.00 H new ATOM 0 HG3 MET A 10 8.882 2.465 12.690 1.00 0.00 H new ATOM 0 HE1 MET A 10 11.896 3.268 9.584 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.430 1.551 9.559 1.00 0.00 H new ATOM 0 HE3 MET A 10 10.178 2.814 9.499 1.00 0.00 H new ATOM 114 N PRO A 11 7.638 -0.876 10.006 1.00 0.00 N ATOM 115 CA PRO A 11 6.701 -0.637 8.905 1.00 0.00 C ATOM 116 C PRO A 11 6.055 0.742 8.981 1.00 0.00 C ATOM 117 O PRO A 11 6.091 1.414 10.012 1.00 0.00 O ATOM 118 CB PRO A 11 5.647 -1.731 9.093 1.00 0.00 C ATOM 119 CG PRO A 11 5.701 -2.064 10.544 1.00 0.00 C ATOM 120 CD PRO A 11 7.135 -1.879 10.958 1.00 0.00 C ATOM 0 HA PRO A 11 7.197 -0.665 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.656 -1.380 8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.868 -2.603 8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.042 -1.413 11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.372 -3.088 10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.214 -1.531 11.988 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.696 -2.812 10.893 1.00 0.00 H new ATOM 128 N PRO A 12 5.451 1.177 7.866 1.00 0.00 N ATOM 129 CA PRO A 12 4.785 2.480 7.782 1.00 0.00 C ATOM 130 C PRO A 12 3.507 2.533 8.612 1.00 0.00 C ATOM 131 O PRO A 12 3.123 1.547 9.242 1.00 0.00 O ATOM 132 CB PRO A 12 4.461 2.618 6.292 1.00 0.00 C ATOM 133 CG PRO A 12 4.377 1.217 5.792 1.00 0.00 C ATOM 134 CD PRO A 12 5.370 0.428 6.600 1.00 0.00 C ATOM 0 HA PRO A 12 5.411 3.283 8.172 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.522 3.150 6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.235 3.179 5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.370 0.819 5.915 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.612 1.167 4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.034 -0.597 6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.339 0.372 6.103 1.00 0.00 H new ATOM 142 N VAL A 13 2.852 3.689 8.608 1.00 0.00 N ATOM 143 CA VAL A 13 1.615 3.869 9.360 1.00 0.00 C ATOM 144 C VAL A 13 0.672 4.828 8.644 1.00 0.00 C ATOM 145 O VAL A 13 1.048 5.471 7.665 1.00 0.00 O ATOM 146 CB VAL A 13 1.893 4.403 10.778 1.00 0.00 C ATOM 147 CG1 VAL A 13 2.792 3.444 11.543 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.514 5.791 10.712 1.00 0.00 C ATOM 0 H VAL A 13 3.157 4.515 8.093 1.00 0.00 H new ATOM 0 HA VAL A 13 1.144 2.889 9.435 1.00 0.00 H new ATOM 0 HB VAL A 13 0.945 4.479 11.311 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.977 3.838 12.542 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.305 2.472 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.739 3.334 11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.704 6.153 11.722 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.453 5.744 10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.830 6.472 10.205 1.00 0.00 H new ATOM 158 N GLY A 14 -0.559 4.920 9.140 1.00 0.00 N ATOM 159 CA GLY A 14 -1.538 5.804 8.535 1.00 0.00 C ATOM 160 C GLY A 14 -1.994 5.319 7.173 1.00 0.00 C ATOM 161 O GLY A 14 -2.600 6.070 6.409 1.00 0.00 O ATOM 0 H GLY A 14 -0.895 4.398 9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.402 5.890 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.111 6.802 8.437 1.00 0.00 H new ATOM 165 N VAL A 15 -1.701 4.059 6.867 1.00 0.00 N ATOM 166 CA VAL A 15 -2.084 3.474 5.587 1.00 0.00 C ATOM 167 C VAL A 15 -3.592 3.549 5.378 1.00 0.00 C ATOM 168 O VAL A 15 -4.342 2.725 5.899 1.00 0.00 O ATOM 169 CB VAL A 15 -1.635 2.004 5.485 1.00 0.00 C ATOM 170 CG1 VAL A 15 -2.030 1.418 4.138 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.135 1.889 5.707 1.00 0.00 C ATOM 0 H VAL A 15 -1.200 3.424 7.488 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.583 4.054 4.811 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.139 1.433 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.705 0.379 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.113 1.466 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.556 1.989 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.165 0.844 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.390 2.473 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.116 2.268 6.698 1.00 0.00 H new ATOM 181 N GLN A 16 -4.029 4.544 4.612 1.00 0.00 N ATOM 182 CA GLN A 16 -5.449 4.727 4.335 1.00 0.00 C ATOM 183 C GLN A 16 -5.714 4.727 2.833 1.00 0.00 C ATOM 184 O GLN A 16 -4.877 5.167 2.045 1.00 0.00 O ATOM 185 CB GLN A 16 -5.947 6.034 4.953 1.00 0.00 C ATOM 186 CG GLN A 16 -6.202 5.941 6.449 1.00 0.00 C ATOM 187 CD GLN A 16 -6.511 7.288 7.073 1.00 0.00 C ATOM 188 OE1 GLN A 16 -7.669 7.703 7.137 1.00 0.00 O ATOM 189 NE2 GLN A 16 -5.476 7.978 7.536 1.00 0.00 N ATOM 0 H GLN A 16 -3.421 5.235 4.173 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.991 3.893 4.782 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.213 6.818 4.766 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.868 6.335 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.035 5.261 6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.327 5.511 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.534 7.595 7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.623 8.891 7.966 1.00 0.00 H new ATOM 198 N ALA A 17 -6.884 4.232 2.443 1.00 0.00 N ATOM 199 CA ALA A 17 -7.260 4.177 1.036 1.00 0.00 C ATOM 200 C ALA A 17 -8.382 5.162 0.729 1.00 0.00 C ATOM 201 O ALA A 17 -9.531 4.950 1.116 1.00 0.00 O ATOM 202 CB ALA A 17 -7.677 2.764 0.656 1.00 0.00 C ATOM 0 H ALA A 17 -7.588 3.863 3.082 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.391 4.460 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.955 2.738 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.846 2.080 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.529 2.460 1.264 1.00 0.00 H new ATOM 208 N SER A 18 -8.042 6.241 0.031 1.00 0.00 N ATOM 209 CA SER A 18 -9.020 7.262 -0.324 1.00 0.00 C ATOM 210 C SER A 18 -9.725 6.909 -1.630 1.00 0.00 C ATOM 211 O SER A 18 -9.149 7.031 -2.712 1.00 0.00 O ATOM 212 CB SER A 18 -8.341 8.627 -0.451 1.00 0.00 C ATOM 213 OG SER A 18 -9.287 9.678 -0.358 1.00 0.00 O ATOM 0 H SER A 18 -7.096 6.430 -0.300 1.00 0.00 H new ATOM 0 HA SER A 18 -9.765 7.307 0.470 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.591 8.738 0.332 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.817 8.689 -1.405 1.00 0.00 H new ATOM 0 HG SER A 18 -8.828 10.540 -0.440 1.00 0.00 H new ATOM 219 N ILE A 19 -10.974 6.469 -1.521 1.00 0.00 N ATOM 220 CA ILE A 19 -11.758 6.098 -2.693 1.00 0.00 C ATOM 221 C ILE A 19 -12.054 7.315 -3.563 1.00 0.00 C ATOM 222 O ILE A 19 -12.723 8.254 -3.130 1.00 0.00 O ATOM 223 CB ILE A 19 -13.087 5.431 -2.292 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.841 4.336 -1.253 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.782 4.858 -3.518 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.548 3.580 -1.466 1.00 0.00 C ATOM 0 H ILE A 19 -11.465 6.361 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.160 5.385 -3.261 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.736 6.186 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.831 4.785 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.672 3.631 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.720 4.390 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -13.987 5.659 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.138 4.114 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.440 2.820 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.563 3.102 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.708 4.273 -1.414 1.00 0.00 H new ATOM 238 N LEU A 20 -11.554 7.291 -4.793 1.00 0.00 N ATOM 239 CA LEU A 20 -11.766 8.391 -5.727 1.00 0.00 C ATOM 240 C LEU A 20 -12.717 7.979 -6.847 1.00 0.00 C ATOM 241 O LEU A 20 -13.596 8.746 -7.242 1.00 0.00 O ATOM 242 CB LEU A 20 -10.432 8.849 -6.319 1.00 0.00 C ATOM 243 CG LEU A 20 -9.288 9.045 -5.323 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.011 9.441 -6.048 1.00 0.00 C ATOM 245 CD2 LEU A 20 -9.660 10.092 -4.283 1.00 0.00 C ATOM 0 H LEU A 20 -10.999 6.522 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.216 9.218 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.118 8.118 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.595 9.790 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.112 8.099 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.208 9.576 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.735 8.657 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.173 10.374 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.834 10.218 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.864 11.041 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.549 9.767 -3.742 1.00 0.00 H new ATOM 257 N SER A 21 -12.537 6.763 -7.352 1.00 0.00 N ATOM 258 CA SER A 21 -13.378 6.250 -8.427 1.00 0.00 C ATOM 259 C SER A 21 -13.515 4.733 -8.333 1.00 0.00 C ATOM 260 O SER A 21 -12.968 4.104 -7.426 1.00 0.00 O ATOM 261 CB SER A 21 -12.795 6.637 -9.788 1.00 0.00 C ATOM 262 OG SER A 21 -12.351 7.982 -9.789 1.00 0.00 O ATOM 0 H SER A 21 -11.816 6.115 -7.034 1.00 0.00 H new ATOM 0 HA SER A 21 -14.368 6.694 -8.324 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.963 5.976 -10.032 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.549 6.499 -10.563 1.00 0.00 H new ATOM 0 HG SER A 21 -11.982 8.204 -10.669 1.00 0.00 H new ATOM 268 N HIS A 22 -14.248 4.152 -9.276 1.00 0.00 N ATOM 269 CA HIS A 22 -14.458 2.708 -9.301 1.00 0.00 C ATOM 270 C HIS A 22 -13.146 1.974 -9.563 1.00 0.00 C ATOM 271 O HIS A 22 -12.986 0.814 -9.181 1.00 0.00 O ATOM 272 CB HIS A 22 -15.485 2.339 -10.371 1.00 0.00 C ATOM 273 CG HIS A 22 -14.934 2.360 -11.763 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.741 1.360 -12.655 1.00 0.00 N flip ATOM 275 CD2 HIS A 22 -14.504 3.513 -12.385 1.00 0.00 C flip ATOM 276 CE1 HIS A 22 -14.206 1.921 -13.788 1.00 0.00 C flip ATOM 277 NE2 HIS A 22 -14.073 3.222 -13.600 1.00 0.00 N flip ATOM 0 H HIS A 22 -14.707 4.658 -10.033 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.837 2.403 -8.325 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.877 1.344 -10.159 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.325 3.031 -10.311 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.517 4.500 -11.947 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.937 1.386 -14.687 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.701 3.888 -14.277 1.00 0.00 H new ATOM 286 N ASP A 23 -12.212 2.655 -10.216 1.00 0.00 N ATOM 287 CA ASP A 23 -10.915 2.068 -10.529 1.00 0.00 C ATOM 288 C ASP A 23 -9.783 3.026 -10.170 1.00 0.00 C ATOM 289 O ASP A 23 -8.708 2.987 -10.769 1.00 0.00 O ATOM 290 CB ASP A 23 -10.840 1.703 -12.012 1.00 0.00 C ATOM 291 CG ASP A 23 -10.493 2.893 -12.884 1.00 0.00 C ATOM 292 OD1 ASP A 23 -10.809 4.033 -12.485 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.906 2.685 -13.967 1.00 0.00 O ATOM 0 H ASP A 23 -12.329 3.615 -10.539 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.802 1.162 -9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.093 0.922 -12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.797 1.290 -12.330 1.00 0.00 H new ATOM 298 N THR A 24 -10.033 3.889 -9.190 1.00 0.00 N ATOM 299 CA THR A 24 -9.037 4.859 -8.753 1.00 0.00 C ATOM 300 C THR A 24 -9.029 4.993 -7.235 1.00 0.00 C ATOM 301 O THR A 24 -10.056 5.290 -6.623 1.00 0.00 O ATOM 302 CB THR A 24 -9.291 6.244 -9.378 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.426 6.124 -10.798 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.155 7.201 -9.051 1.00 0.00 C ATOM 0 H THR A 24 -10.917 3.936 -8.684 1.00 0.00 H new ATOM 0 HA THR A 24 -8.068 4.489 -9.087 1.00 0.00 H new ATOM 0 HB THR A 24 -10.214 6.643 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.589 7.009 -11.187 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.356 8.172 -9.503 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.074 7.313 -7.970 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.220 6.804 -9.446 1.00 0.00 H new ATOM 312 N ILE A 25 -7.865 4.773 -6.633 1.00 0.00 N ATOM 313 CA ILE A 25 -7.724 4.871 -5.185 1.00 0.00 C ATOM 314 C ILE A 25 -6.398 5.520 -4.805 1.00 0.00 C ATOM 315 O ILE A 25 -5.392 5.350 -5.494 1.00 0.00 O ATOM 316 CB ILE A 25 -7.816 3.488 -4.515 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.114 2.786 -4.922 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.734 3.625 -3.002 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.226 1.372 -4.396 1.00 0.00 C ATOM 0 H ILE A 25 -7.006 4.526 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.546 5.493 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.975 2.881 -4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.961 3.368 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.182 2.767 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.801 2.639 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.786 4.089 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.557 4.246 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.170 0.936 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.399 0.775 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.190 1.385 -3.307 1.00 0.00 H new ATOM 331 N ARG A 26 -6.403 6.263 -3.703 1.00 0.00 N ATOM 332 CA ARG A 26 -5.200 6.937 -3.230 1.00 0.00 C ATOM 333 C ARG A 26 -4.713 6.325 -1.920 1.00 0.00 C ATOM 334 O ARG A 26 -5.431 6.326 -0.919 1.00 0.00 O ATOM 335 CB ARG A 26 -5.468 8.431 -3.039 1.00 0.00 C ATOM 336 CG ARG A 26 -4.233 9.299 -3.216 1.00 0.00 C ATOM 337 CD ARG A 26 -4.604 10.759 -3.427 1.00 0.00 C ATOM 338 NE ARG A 26 -5.062 11.015 -4.790 1.00 0.00 N ATOM 339 CZ ARG A 26 -5.387 12.221 -5.241 1.00 0.00 C ATOM 340 NH1 ARG A 26 -5.304 13.276 -4.443 1.00 0.00 N ATOM 341 NH2 ARG A 26 -5.796 12.374 -6.494 1.00 0.00 N ATOM 0 H ARG A 26 -7.227 6.413 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.422 6.808 -3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.230 8.749 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.876 8.594 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.594 9.208 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.655 8.942 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.387 11.040 -2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.740 11.388 -3.211 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.136 10.224 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.990 13.163 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.554 14.201 -4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.861 11.565 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.045 13.301 -6.839 1.00 0.00 H new ATOM 355 N ILE A 27 -3.491 5.804 -1.934 1.00 0.00 N ATOM 356 CA ILE A 27 -2.909 5.190 -0.747 1.00 0.00 C ATOM 357 C ILE A 27 -1.798 6.059 -0.167 1.00 0.00 C ATOM 358 O ILE A 27 -0.666 6.043 -0.650 1.00 0.00 O ATOM 359 CB ILE A 27 -2.343 3.791 -1.057 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.456 2.863 -1.546 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.663 3.211 0.174 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.595 2.715 -0.561 1.00 0.00 C ATOM 0 H ILE A 27 -2.885 5.795 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.711 5.094 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.600 3.883 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.849 3.245 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.034 1.879 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.268 2.222 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.846 3.865 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.387 3.130 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.348 2.043 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.216 2.304 0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.043 3.691 -0.374 1.00 0.00 H new ATOM 374 N THR A 28 -2.130 6.816 0.874 1.00 0.00 N ATOM 375 CA THR A 28 -1.161 7.691 1.522 1.00 0.00 C ATOM 376 C THR A 28 -0.767 7.156 2.894 1.00 0.00 C ATOM 377 O THR A 28 -1.624 6.778 3.692 1.00 0.00 O ATOM 378 CB THR A 28 -1.714 9.121 1.681 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.904 9.100 2.476 1.00 0.00 O ATOM 380 CG2 THR A 28 -2.015 9.738 0.324 1.00 0.00 C ATOM 0 H THR A 28 -3.063 6.841 1.286 1.00 0.00 H new ATOM 0 HA THR A 28 -0.281 7.718 0.879 1.00 0.00 H new ATOM 0 HB THR A 28 -0.957 9.727 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.870 8.342 3.096 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.404 10.747 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.101 9.779 -0.268 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.756 9.131 -0.195 1.00 0.00 H new ATOM 388 N TRP A 29 0.534 7.127 3.160 1.00 0.00 N ATOM 389 CA TRP A 29 1.041 6.637 4.437 1.00 0.00 C ATOM 390 C TRP A 29 2.104 7.577 4.996 1.00 0.00 C ATOM 391 O TRP A 29 2.394 8.619 4.411 1.00 0.00 O ATOM 392 CB TRP A 29 1.620 5.231 4.274 1.00 0.00 C ATOM 393 CG TRP A 29 2.719 5.155 3.258 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.052 5.358 3.476 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.579 4.857 1.865 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.749 5.204 2.302 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.869 4.896 1.299 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.491 4.559 1.041 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.096 4.649 -0.052 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.718 4.315 -0.300 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.012 4.360 -0.836 1.00 0.00 C ATOM 0 H TRP A 29 1.256 7.436 2.510 1.00 0.00 H new ATOM 0 HA TRP A 29 0.209 6.599 5.140 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.000 4.889 5.236 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.821 4.548 3.986 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.493 5.603 4.431 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.759 5.303 2.195 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.490 4.520 1.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.092 4.684 -0.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.884 4.086 -0.946 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.157 4.163 -1.888 1.00 0.00 H new ATOM 412 N ALA A 30 2.682 7.200 6.132 1.00 0.00 N ATOM 413 CA ALA A 30 3.715 8.008 6.769 1.00 0.00 C ATOM 414 C ALA A 30 4.746 7.129 7.468 1.00 0.00 C ATOM 415 O ALA A 30 4.475 5.972 7.788 1.00 0.00 O ATOM 416 CB ALA A 30 3.089 8.980 7.758 1.00 0.00 C ATOM 0 H ALA A 30 2.452 6.340 6.630 1.00 0.00 H new ATOM 0 HA ALA A 30 4.228 8.576 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.872 9.577 8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.396 9.638 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.550 8.423 8.524 1.00 0.00 H new ATOM 422 N ASP A 31 5.930 7.686 7.702 1.00 0.00 N ATOM 423 CA ASP A 31 7.002 6.952 8.364 1.00 0.00 C ATOM 424 C ASP A 31 7.577 7.759 9.524 1.00 0.00 C ATOM 425 O ASP A 31 8.493 8.559 9.343 1.00 0.00 O ATOM 426 CB ASP A 31 8.110 6.613 7.365 1.00 0.00 C ATOM 427 CG ASP A 31 9.100 5.607 7.917 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.664 4.660 8.604 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.312 5.768 7.663 1.00 0.00 O ATOM 0 H ASP A 31 6.171 8.643 7.443 1.00 0.00 H new ATOM 0 HA ASP A 31 6.584 6.026 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.664 6.216 6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.639 7.526 7.090 1.00 0.00 H new ATOM 434 N ASN A 32 7.030 7.543 10.716 1.00 0.00 N ATOM 435 CA ASN A 32 7.487 8.252 11.906 1.00 0.00 C ATOM 436 C ASN A 32 8.998 8.459 11.870 1.00 0.00 C ATOM 437 O ASN A 32 9.501 9.505 12.277 1.00 0.00 O ATOM 438 CB ASN A 32 7.097 7.478 13.167 1.00 0.00 C ATOM 439 CG ASN A 32 5.658 7.726 13.576 1.00 0.00 C ATOM 440 OD1 ASN A 32 5.267 8.859 13.857 1.00 0.00 O ATOM 441 ND2 ASN A 32 4.861 6.664 13.611 1.00 0.00 N ATOM 0 H ASN A 32 6.270 6.883 10.884 1.00 0.00 H new ATOM 0 HA ASN A 32 7.005 9.229 11.923 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.244 6.412 12.996 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.759 7.764 13.985 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.882 6.769 13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.228 5.743 13.370 1.00 0.00 H new ATOM 448 N SER A 33 9.715 7.453 11.378 1.00 0.00 N ATOM 449 CA SER A 33 11.169 7.523 11.291 1.00 0.00 C ATOM 450 C SER A 33 11.618 8.890 10.783 1.00 0.00 C ATOM 451 O SER A 33 12.513 9.514 11.354 1.00 0.00 O ATOM 452 CB SER A 33 11.699 6.424 10.368 1.00 0.00 C ATOM 453 OG SER A 33 13.072 6.171 10.612 1.00 0.00 O ATOM 0 H SER A 33 9.313 6.581 11.034 1.00 0.00 H new ATOM 0 HA SER A 33 11.576 7.375 12.291 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.125 5.510 10.519 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.560 6.720 9.328 1.00 0.00 H new ATOM 0 HG SER A 33 13.386 5.464 10.011 1.00 0.00 H new ATOM 459 N LEU A 34 10.991 9.348 9.706 1.00 0.00 N ATOM 460 CA LEU A 34 11.324 10.642 9.119 1.00 0.00 C ATOM 461 C LEU A 34 11.385 11.726 10.189 1.00 0.00 C ATOM 462 O LEU A 34 10.671 11.684 11.191 1.00 0.00 O ATOM 463 CB LEU A 34 10.296 11.020 8.051 1.00 0.00 C ATOM 464 CG LEU A 34 10.298 10.163 6.784 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.110 10.513 5.902 1.00 0.00 C ATOM 466 CD2 LEU A 34 11.602 10.343 6.021 1.00 0.00 C ATOM 0 H LEU A 34 10.249 8.843 9.221 1.00 0.00 H new ATOM 0 HA LEU A 34 12.307 10.560 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.303 10.970 8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.465 12.058 7.764 1.00 0.00 H new ATOM 0 HG LEU A 34 10.212 9.116 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.128 9.894 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.185 10.333 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.165 11.564 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.586 9.726 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.718 11.390 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.438 10.042 6.653 1.00 0.00 H new ATOM 478 N PRO A 35 12.255 12.724 9.973 1.00 0.00 N ATOM 479 CA PRO A 35 12.428 13.840 10.907 1.00 0.00 C ATOM 480 C PRO A 35 11.219 14.769 10.930 1.00 0.00 C ATOM 481 O PRO A 35 10.145 14.420 10.438 1.00 0.00 O ATOM 482 CB PRO A 35 13.656 14.573 10.361 1.00 0.00 C ATOM 483 CG PRO A 35 13.685 14.235 8.911 1.00 0.00 C ATOM 484 CD PRO A 35 13.138 12.838 8.800 1.00 0.00 C ATOM 0 HA PRO A 35 12.542 13.497 11.935 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.576 15.649 10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 35 14.567 14.246 10.862 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.082 14.937 8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.700 14.289 8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 35 12.590 12.694 7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.933 12.092 8.821 1.00 0.00 H new ATOM 492 N LYS A 36 11.400 15.954 11.502 1.00 0.00 N ATOM 493 CA LYS A 36 10.325 16.936 11.588 1.00 0.00 C ATOM 494 C LYS A 36 9.779 17.266 10.202 1.00 0.00 C ATOM 495 O LYS A 36 8.605 17.608 10.052 1.00 0.00 O ATOM 496 CB LYS A 36 10.825 18.212 12.268 1.00 0.00 C ATOM 497 CG LYS A 36 10.687 18.189 13.781 1.00 0.00 C ATOM 498 CD LYS A 36 11.899 17.555 14.442 1.00 0.00 C ATOM 499 CE LYS A 36 12.081 18.053 15.867 1.00 0.00 C ATOM 500 NZ LYS A 36 13.496 17.941 16.318 1.00 0.00 N ATOM 0 H LYS A 36 12.282 16.258 11.914 1.00 0.00 H new ATOM 0 HA LYS A 36 9.520 16.506 12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.873 18.365 12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.272 19.064 11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.560 19.206 14.151 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.790 17.635 14.057 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.787 16.471 14.446 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.792 17.781 13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.761 19.093 15.932 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.440 17.480 16.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.578 18.291 17.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.795 16.945 16.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.105 18.509 15.695 1.00 0.00 H new ATOM 514 N HIS A 37 10.637 17.161 9.192 1.00 0.00 N ATOM 515 CA HIS A 37 10.239 17.447 7.818 1.00 0.00 C ATOM 516 C HIS A 37 10.154 16.163 6.999 1.00 0.00 C ATOM 517 O HIS A 37 11.145 15.449 6.843 1.00 0.00 O ATOM 518 CB HIS A 37 11.228 18.416 7.170 1.00 0.00 C ATOM 519 CG HIS A 37 12.639 17.913 7.158 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.112 17.021 6.219 1.00 0.00 N ATOM 521 CD2 HIS A 37 13.682 18.183 7.977 1.00 0.00 C ATOM 522 CE1 HIS A 37 14.385 16.763 6.462 1.00 0.00 C ATOM 523 NE2 HIS A 37 14.755 17.456 7.524 1.00 0.00 N ATOM 0 H HIS A 37 11.612 16.880 9.299 1.00 0.00 H new ATOM 0 HA HIS A 37 9.252 17.909 7.840 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.913 18.613 6.145 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.194 19.367 7.702 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.672 18.847 8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.016 16.099 5.890 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.686 17.452 7.940 1.00 0.00 H new ATOM 532 N GLN A 38 8.965 15.875 6.479 1.00 0.00 N ATOM 533 CA GLN A 38 8.753 14.676 5.677 1.00 0.00 C ATOM 534 C GLN A 38 9.543 14.745 4.374 1.00 0.00 C ATOM 535 O GLN A 38 9.092 15.335 3.392 1.00 0.00 O ATOM 536 CB GLN A 38 7.264 14.497 5.375 1.00 0.00 C ATOM 537 CG GLN A 38 6.525 13.680 6.423 1.00 0.00 C ATOM 538 CD GLN A 38 6.677 14.248 7.820 1.00 0.00 C ATOM 539 OE1 GLN A 38 6.784 15.461 8.001 1.00 0.00 O ATOM 540 NE2 GLN A 38 6.688 13.371 8.818 1.00 0.00 N ATOM 0 H GLN A 38 8.135 16.455 6.599 1.00 0.00 H new ATOM 0 HA GLN A 38 9.107 13.819 6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.797 15.479 5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.154 14.013 4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.467 13.638 6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.898 12.656 6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.596 12.374 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.788 13.695 9.780 1.00 0.00 H new ATOM 549 N LYS A 39 10.725 14.139 4.373 1.00 0.00 N ATOM 550 CA LYS A 39 11.579 14.130 3.191 1.00 0.00 C ATOM 551 C LYS A 39 12.344 12.814 3.082 1.00 0.00 C ATOM 552 O LYS A 39 13.018 12.398 4.025 1.00 0.00 O ATOM 553 CB LYS A 39 12.563 15.301 3.238 1.00 0.00 C ATOM 554 CG LYS A 39 13.222 15.596 1.902 1.00 0.00 C ATOM 555 CD LYS A 39 14.117 16.821 1.981 1.00 0.00 C ATOM 556 CE LYS A 39 15.388 16.534 2.765 1.00 0.00 C ATOM 557 NZ LYS A 39 16.149 17.779 3.064 1.00 0.00 N ATOM 0 H LYS A 39 11.114 13.647 5.178 1.00 0.00 H new ATOM 0 HA LYS A 39 10.942 14.234 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.037 16.193 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.336 15.085 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.810 14.734 1.587 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.455 15.753 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.376 17.149 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.574 17.640 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.133 16.031 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.019 15.851 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.008 17.541 3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.414 18.246 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.557 18.421 3.628 1.00 0.00 H new ATOM 571 N ILE A 40 12.235 12.166 1.928 1.00 0.00 N ATOM 572 CA ILE A 40 12.918 10.899 1.696 1.00 0.00 C ATOM 573 C ILE A 40 14.265 11.118 1.015 1.00 0.00 C ATOM 574 O ILE A 40 14.372 11.053 -0.210 1.00 0.00 O ATOM 575 CB ILE A 40 12.067 9.950 0.833 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.733 9.657 1.522 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.824 8.658 0.562 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.682 9.095 0.590 1.00 0.00 C ATOM 0 H ILE A 40 11.680 12.497 1.139 1.00 0.00 H new ATOM 0 HA ILE A 40 13.077 10.443 2.673 1.00 0.00 H new ATOM 0 HB ILE A 40 11.863 10.436 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.901 8.951 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.355 10.576 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.209 7.997 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.751 8.883 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.055 8.167 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.763 8.911 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.486 9.809 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.039 8.159 0.161 1.00 0.00 H new ATOM 590 N THR A 41 15.293 11.375 1.818 1.00 0.00 N ATOM 591 CA THR A 41 16.634 11.602 1.293 1.00 0.00 C ATOM 592 C THR A 41 17.578 10.474 1.691 1.00 0.00 C ATOM 593 O THR A 41 18.527 10.683 2.448 1.00 0.00 O ATOM 594 CB THR A 41 17.212 12.940 1.791 1.00 0.00 C ATOM 595 OG1 THR A 41 18.543 13.115 1.291 1.00 0.00 O ATOM 596 CG2 THR A 41 17.226 12.992 3.311 1.00 0.00 C ATOM 0 H THR A 41 15.223 11.431 2.834 1.00 0.00 H new ATOM 0 HA THR A 41 16.548 11.633 0.207 1.00 0.00 H new ATOM 0 HB THR A 41 16.576 13.745 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 41 19.115 12.391 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.638 13.946 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.209 12.888 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 41 17.841 12.179 3.697 1.00 0.00 H new ATOM 604 N ASP A 42 17.314 9.278 1.176 1.00 0.00 N ATOM 605 CA ASP A 42 18.143 8.116 1.476 1.00 0.00 C ATOM 606 C ASP A 42 17.938 7.019 0.436 1.00 0.00 C ATOM 607 O ASP A 42 16.991 7.064 -0.349 1.00 0.00 O ATOM 608 CB ASP A 42 17.819 7.580 2.872 1.00 0.00 C ATOM 609 CG ASP A 42 18.932 6.716 3.432 1.00 0.00 C ATOM 610 OD1 ASP A 42 19.974 7.276 3.832 1.00 0.00 O ATOM 611 OD2 ASP A 42 18.762 5.479 3.470 1.00 0.00 O ATOM 0 H ASP A 42 16.532 9.088 0.549 1.00 0.00 H new ATOM 0 HA ASP A 42 19.187 8.427 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 42 17.638 8.417 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.898 6.999 2.830 1.00 0.00 H new ATOM 616 N SER A 43 18.833 6.037 0.436 1.00 0.00 N ATOM 617 CA SER A 43 18.753 4.931 -0.511 1.00 0.00 C ATOM 618 C SER A 43 17.717 3.905 -0.062 1.00 0.00 C ATOM 619 O SER A 43 18.063 2.846 0.463 1.00 0.00 O ATOM 620 CB SER A 43 20.120 4.260 -0.660 1.00 0.00 C ATOM 621 OG SER A 43 21.115 5.204 -1.016 1.00 0.00 O ATOM 0 H SER A 43 19.622 5.984 1.081 1.00 0.00 H new ATOM 0 HA SER A 43 18.446 5.333 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.394 3.774 0.276 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.065 3.481 -1.420 1.00 0.00 H new ATOM 0 HG SER A 43 21.980 4.751 -1.103 1.00 0.00 H new ATOM 627 N ARG A 44 16.445 4.227 -0.273 1.00 0.00 N ATOM 628 CA ARG A 44 15.357 3.335 0.111 1.00 0.00 C ATOM 629 C ARG A 44 14.226 3.386 -0.911 1.00 0.00 C ATOM 630 O ARG A 44 14.138 4.320 -1.709 1.00 0.00 O ATOM 631 CB ARG A 44 14.826 3.710 1.495 1.00 0.00 C ATOM 632 CG ARG A 44 14.450 5.177 1.626 1.00 0.00 C ATOM 633 CD ARG A 44 14.125 5.543 3.066 1.00 0.00 C ATOM 634 NE ARG A 44 14.395 6.950 3.348 1.00 0.00 N ATOM 635 CZ ARG A 44 14.081 7.543 4.495 1.00 0.00 C ATOM 636 NH1 ARG A 44 13.490 6.855 5.461 1.00 0.00 N ATOM 637 NH2 ARG A 44 14.359 8.828 4.676 1.00 0.00 N ATOM 0 H ARG A 44 16.142 5.099 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 44 15.748 2.318 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 44 13.952 3.098 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.582 3.469 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.272 5.798 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.590 5.391 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.075 5.328 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.712 4.919 3.740 1.00 0.00 H new ATOM 0 HE ARG A 44 14.849 7.508 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.275 5.867 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.250 7.313 6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.814 9.361 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.118 9.283 5.557 1.00 0.00 H new ATOM 651 N TYR A 45 13.363 2.377 -0.882 1.00 0.00 N ATOM 652 CA TYR A 45 12.239 2.305 -1.807 1.00 0.00 C ATOM 653 C TYR A 45 11.015 1.694 -1.132 1.00 0.00 C ATOM 654 O TYR A 45 11.137 0.829 -0.265 1.00 0.00 O ATOM 655 CB TYR A 45 12.618 1.483 -3.041 1.00 0.00 C ATOM 656 CG TYR A 45 12.790 0.008 -2.756 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.909 -0.462 -2.079 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.836 -0.915 -3.165 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.071 -1.809 -1.817 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.989 -2.263 -2.906 1.00 0.00 C ATOM 661 CZ TYR A 45 13.108 -2.705 -2.232 1.00 0.00 C ATOM 662 OH TYR A 45 13.265 -4.048 -1.973 1.00 0.00 O ATOM 0 H TYR A 45 13.421 1.597 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 45 11.992 3.320 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.848 1.610 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.546 1.875 -3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.665 0.237 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.959 -0.573 -3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.947 -2.158 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.237 -2.967 -3.229 1.00 0.00 H new ATOM 0 HH TYR A 45 12.498 -4.542 -2.331 1.00 0.00 H new ATOM 672 N TYR A 46 9.835 2.150 -1.536 1.00 0.00 N ATOM 673 CA TYR A 46 8.587 1.651 -0.970 1.00 0.00 C ATOM 674 C TYR A 46 7.907 0.676 -1.926 1.00 0.00 C ATOM 675 O TYR A 46 7.792 0.939 -3.124 1.00 0.00 O ATOM 676 CB TYR A 46 7.645 2.813 -0.653 1.00 0.00 C ATOM 677 CG TYR A 46 8.026 3.579 0.593 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.727 3.082 1.856 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.685 4.799 0.509 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.072 3.778 2.998 1.00 0.00 C ATOM 681 CE2 TYR A 46 9.036 5.502 1.646 1.00 0.00 C ATOM 682 CZ TYR A 46 8.727 4.987 2.888 1.00 0.00 C ATOM 683 OH TYR A 46 9.074 5.685 4.023 1.00 0.00 O ATOM 0 H TYR A 46 9.716 2.865 -2.254 1.00 0.00 H new ATOM 0 HA TYR A 46 8.823 1.122 -0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.630 3.499 -1.500 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.632 2.427 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.216 2.135 1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.927 5.205 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.830 3.378 3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.549 6.449 1.563 1.00 0.00 H new ATOM 0 HH TYR A 46 9.530 6.515 3.770 1.00 0.00 H new ATOM 693 N THR A 47 7.455 -0.453 -1.388 1.00 0.00 N ATOM 694 CA THR A 47 6.786 -1.468 -2.192 1.00 0.00 C ATOM 695 C THR A 47 5.347 -1.673 -1.732 1.00 0.00 C ATOM 696 O THR A 47 5.100 -2.112 -0.608 1.00 0.00 O ATOM 697 CB THR A 47 7.530 -2.815 -2.128 1.00 0.00 C ATOM 698 OG1 THR A 47 8.914 -2.626 -2.442 1.00 0.00 O ATOM 699 CG2 THR A 47 6.918 -3.818 -3.094 1.00 0.00 C ATOM 0 H THR A 47 7.540 -0.687 -0.399 1.00 0.00 H new ATOM 0 HA THR A 47 6.788 -1.109 -3.221 1.00 0.00 H new ATOM 0 HB THR A 47 7.438 -3.207 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.380 -3.487 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.460 -4.761 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.872 -3.982 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.982 -3.430 -4.111 1.00 0.00 H new ATOM 707 N VAL A 48 4.400 -1.354 -2.607 1.00 0.00 N ATOM 708 CA VAL A 48 2.984 -1.505 -2.292 1.00 0.00 C ATOM 709 C VAL A 48 2.422 -2.789 -2.889 1.00 0.00 C ATOM 710 O VAL A 48 2.566 -3.045 -4.085 1.00 0.00 O ATOM 711 CB VAL A 48 2.163 -0.308 -2.808 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.692 -0.479 -2.460 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.706 0.995 -2.241 1.00 0.00 C ATOM 0 H VAL A 48 4.587 -0.989 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 48 2.904 -1.548 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 48 2.252 -0.270 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.128 0.376 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.313 -1.392 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.579 -0.544 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.114 1.830 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.649 0.970 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.745 1.120 -2.547 1.00 0.00 H new ATOM 723 N ARG A 49 1.780 -3.594 -2.049 1.00 0.00 N ATOM 724 CA ARG A 49 1.195 -4.854 -2.495 1.00 0.00 C ATOM 725 C ARG A 49 -0.321 -4.841 -2.322 1.00 0.00 C ATOM 726 O ARG A 49 -0.843 -4.245 -1.380 1.00 0.00 O ATOM 727 CB ARG A 49 1.798 -6.024 -1.715 1.00 0.00 C ATOM 728 CG ARG A 49 1.056 -6.345 -0.428 1.00 0.00 C ATOM 729 CD ARG A 49 1.933 -7.122 0.542 1.00 0.00 C ATOM 730 NE ARG A 49 1.825 -8.564 0.341 1.00 0.00 N ATOM 731 CZ ARG A 49 2.525 -9.235 -0.567 1.00 0.00 C ATOM 732 NH1 ARG A 49 3.379 -8.596 -1.354 1.00 0.00 N ATOM 733 NH2 ARG A 49 2.371 -10.547 -0.689 1.00 0.00 N ATOM 0 H ARG A 49 1.651 -3.397 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 49 1.421 -4.976 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.804 -6.909 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.837 -5.795 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.723 -5.419 0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.162 -6.925 -0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.972 -6.815 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.648 -6.876 1.565 1.00 0.00 H new ATOM 0 HE ARG A 49 1.176 -9.085 0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.500 -7.587 -1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.916 -9.113 -2.051 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.714 -11.042 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.909 -11.061 -1.387 1.00 0.00 H new ATOM 747 N TRP A 50 -1.020 -5.501 -3.238 1.00 0.00 N ATOM 748 CA TRP A 50 -2.477 -5.565 -3.187 1.00 0.00 C ATOM 749 C TRP A 50 -2.981 -6.907 -3.705 1.00 0.00 C ATOM 750 O TRP A 50 -2.313 -7.568 -4.500 1.00 0.00 O ATOM 751 CB TRP A 50 -3.086 -4.426 -4.007 1.00 0.00 C ATOM 752 CG TRP A 50 -2.754 -4.501 -5.467 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.569 -4.937 -6.472 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.515 -4.132 -6.084 1.00 0.00 C ATOM 755 NE1 TRP A 50 -2.912 -4.860 -7.677 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.651 -4.369 -7.465 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.306 -3.622 -5.604 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.623 -4.114 -8.369 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.714 -3.370 -6.501 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.550 -3.615 -7.871 1.00 0.00 C ATOM 0 H TRP A 50 -0.603 -5.999 -4.024 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.785 -5.460 -2.147 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.169 -4.440 -3.887 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.734 -3.474 -3.610 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.581 -5.290 -6.340 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.300 -5.125 -8.582 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.171 -3.428 -4.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.747 -4.303 -9.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.653 -2.978 -6.140 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.366 -3.406 -8.547 1.00 0.00 H new ATOM 771 N LYS A 51 -4.164 -7.305 -3.250 1.00 0.00 N ATOM 772 CA LYS A 51 -4.760 -8.569 -3.668 1.00 0.00 C ATOM 773 C LYS A 51 -6.282 -8.472 -3.690 1.00 0.00 C ATOM 774 O LYS A 51 -6.850 -7.406 -3.450 1.00 0.00 O ATOM 775 CB LYS A 51 -4.323 -9.697 -2.730 1.00 0.00 C ATOM 776 CG LYS A 51 -5.211 -9.848 -1.507 1.00 0.00 C ATOM 777 CD LYS A 51 -4.687 -10.922 -0.567 1.00 0.00 C ATOM 778 CE LYS A 51 -4.798 -12.307 -1.187 1.00 0.00 C ATOM 779 NZ LYS A 51 -3.631 -12.621 -2.056 1.00 0.00 N ATOM 0 H LYS A 51 -4.730 -6.770 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.413 -8.789 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.317 -10.636 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.299 -9.512 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.268 -8.897 -0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.224 -10.100 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.646 -10.715 -0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.247 -10.894 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.873 -13.054 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.715 -12.370 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.943 -12.685 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.918 -11.869 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.215 -13.529 -1.764 1.00 0.00 H new ATOM 793 N THR A 52 -6.938 -9.592 -3.977 1.00 0.00 N ATOM 794 CA THR A 52 -8.393 -9.634 -4.030 1.00 0.00 C ATOM 795 C THR A 52 -8.951 -10.651 -3.041 1.00 0.00 C ATOM 796 O THR A 52 -8.327 -11.677 -2.774 1.00 0.00 O ATOM 797 CB THR A 52 -8.895 -9.981 -5.444 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.364 -11.246 -5.855 1.00 0.00 O ATOM 799 CG2 THR A 52 -8.488 -8.907 -6.442 1.00 0.00 C ATOM 0 H THR A 52 -6.483 -10.483 -4.176 1.00 0.00 H new ATOM 0 HA THR A 52 -8.747 -8.639 -3.761 1.00 0.00 H new ATOM 0 HB THR A 52 -9.983 -10.035 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.689 -11.461 -6.754 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.854 -9.174 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.917 -7.951 -6.143 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.401 -8.826 -6.466 1.00 0.00 H new ATOM 807 N ASN A 53 -10.130 -10.360 -2.501 1.00 0.00 N ATOM 808 CA ASN A 53 -10.772 -11.251 -1.541 1.00 0.00 C ATOM 809 C ASN A 53 -11.357 -12.474 -2.241 1.00 0.00 C ATOM 810 O ASN A 53 -11.257 -13.595 -1.742 1.00 0.00 O ATOM 811 CB ASN A 53 -11.873 -10.509 -0.782 1.00 0.00 C ATOM 812 CG ASN A 53 -12.380 -11.292 0.413 1.00 0.00 C ATOM 813 OD1 ASN A 53 -12.714 -12.472 0.300 1.00 0.00 O ATOM 814 ND2 ASN A 53 -12.441 -10.638 1.567 1.00 0.00 N ATOM 0 H ASN A 53 -10.660 -9.514 -2.712 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.015 -11.587 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.492 -9.545 -0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.703 -10.306 -1.458 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.775 -11.113 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.154 -9.660 1.615 1.00 0.00 H new ATOM 821 N ILE A 54 -11.967 -12.250 -3.400 1.00 0.00 N ATOM 822 CA ILE A 54 -12.567 -13.333 -4.169 1.00 0.00 C ATOM 823 C ILE A 54 -11.996 -13.386 -5.582 1.00 0.00 C ATOM 824 O ILE A 54 -12.015 -12.404 -6.323 1.00 0.00 O ATOM 825 CB ILE A 54 -14.098 -13.185 -4.252 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.695 -13.049 -2.850 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.707 -14.374 -4.980 1.00 0.00 C ATOM 828 CD1 ILE A 54 -16.161 -12.674 -2.852 1.00 0.00 C ATOM 0 H ILE A 54 -12.059 -11.328 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.328 -14.260 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.331 -12.281 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.570 -13.992 -2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.136 -12.294 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.789 -14.254 -5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.301 -14.429 -5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.468 -15.291 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.518 -12.595 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -16.291 -11.716 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.732 -13.440 -3.376 1.00 0.00 H new ATOM 840 N PRO A 55 -11.475 -14.562 -5.966 1.00 0.00 N ATOM 841 CA PRO A 55 -11.446 -15.738 -5.092 1.00 0.00 C ATOM 842 C PRO A 55 -10.471 -15.574 -3.931 1.00 0.00 C ATOM 843 O PRO A 55 -9.678 -14.633 -3.903 1.00 0.00 O ATOM 844 CB PRO A 55 -10.985 -16.861 -6.024 1.00 0.00 C ATOM 845 CG PRO A 55 -10.216 -16.171 -7.097 1.00 0.00 C ATOM 846 CD PRO A 55 -10.875 -14.832 -7.283 1.00 0.00 C ATOM 0 HA PRO A 55 -12.414 -15.923 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.365 -17.585 -5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.834 -17.408 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.170 -16.055 -6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.234 -16.747 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.153 -14.064 -7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.629 -14.861 -8.070 1.00 0.00 H new ATOM 854 N ALA A 56 -10.534 -16.496 -2.976 1.00 0.00 N ATOM 855 CA ALA A 56 -9.654 -16.454 -1.815 1.00 0.00 C ATOM 856 C ALA A 56 -8.206 -16.720 -2.213 1.00 0.00 C ATOM 857 O ALA A 56 -7.296 -16.005 -1.795 1.00 0.00 O ATOM 858 CB ALA A 56 -10.110 -17.463 -0.771 1.00 0.00 C ATOM 0 H ALA A 56 -11.185 -17.281 -2.984 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.707 -15.453 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.444 -17.421 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.126 -17.227 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.087 -18.465 -1.199 1.00 0.00 H new ATOM 864 N ASN A 57 -8.000 -17.753 -3.024 1.00 0.00 N ATOM 865 CA ASN A 57 -6.662 -18.113 -3.477 1.00 0.00 C ATOM 866 C ASN A 57 -6.251 -17.273 -4.683 1.00 0.00 C ATOM 867 O ASN A 57 -6.739 -17.481 -5.794 1.00 0.00 O ATOM 868 CB ASN A 57 -6.605 -19.600 -3.835 1.00 0.00 C ATOM 869 CG ASN A 57 -7.153 -20.482 -2.730 1.00 0.00 C ATOM 870 OD1 ASN A 57 -6.898 -20.246 -1.548 1.00 0.00 O ATOM 871 ND2 ASN A 57 -7.910 -21.504 -3.109 1.00 0.00 N ATOM 0 H ASN A 57 -8.742 -18.355 -3.380 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.965 -17.914 -2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.173 -19.773 -4.749 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.573 -19.882 -4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.307 -22.132 -2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.095 -21.662 -4.100 1.00 0.00 H new ATOM 878 N THR A 58 -5.350 -16.322 -4.455 1.00 0.00 N ATOM 879 CA THR A 58 -4.874 -15.450 -5.521 1.00 0.00 C ATOM 880 C THR A 58 -3.464 -14.947 -5.231 1.00 0.00 C ATOM 881 O THR A 58 -3.166 -14.509 -4.119 1.00 0.00 O ATOM 882 CB THR A 58 -5.808 -14.241 -5.717 1.00 0.00 C ATOM 883 OG1 THR A 58 -5.949 -13.526 -4.484 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.176 -14.688 -6.209 1.00 0.00 C ATOM 0 H THR A 58 -4.936 -16.137 -3.542 1.00 0.00 H new ATOM 0 HA THR A 58 -4.864 -16.044 -6.435 1.00 0.00 H new ATOM 0 HB THR A 58 -5.366 -13.586 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.543 -12.758 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.818 -13.817 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.068 -15.206 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.623 -15.362 -5.478 1.00 0.00 H new ATOM 892 N LYS A 59 -2.599 -15.011 -6.238 1.00 0.00 N ATOM 893 CA LYS A 59 -1.221 -14.560 -6.092 1.00 0.00 C ATOM 894 C LYS A 59 -1.168 -13.142 -5.533 1.00 0.00 C ATOM 895 O LYS A 59 -2.188 -12.458 -5.451 1.00 0.00 O ATOM 896 CB LYS A 59 -0.499 -14.615 -7.441 1.00 0.00 C ATOM 897 CG LYS A 59 -0.900 -13.499 -8.390 1.00 0.00 C ATOM 898 CD LYS A 59 0.253 -13.096 -9.294 1.00 0.00 C ATOM 899 CE LYS A 59 0.112 -11.658 -9.770 1.00 0.00 C ATOM 900 NZ LYS A 59 -0.783 -11.551 -10.956 1.00 0.00 N ATOM 0 H LYS A 59 -2.829 -15.371 -7.164 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.720 -15.227 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.577 -14.567 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.704 -15.575 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.745 -13.823 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.233 -12.634 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.195 -13.212 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.292 -13.763 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.283 -11.045 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.096 -11.260 -10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.853 -10.556 -11.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.393 -12.116 -11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.729 -11.907 -10.710 1.00 0.00 H new ATOM 914 N TYR A 60 0.027 -12.706 -5.150 1.00 0.00 N ATOM 915 CA TYR A 60 0.212 -11.369 -4.598 1.00 0.00 C ATOM 916 C TYR A 60 0.900 -10.454 -5.606 1.00 0.00 C ATOM 917 O TYR A 60 1.751 -10.891 -6.381 1.00 0.00 O ATOM 918 CB TYR A 60 1.034 -11.437 -3.310 1.00 0.00 C ATOM 919 CG TYR A 60 0.194 -11.597 -2.063 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.531 -10.529 -1.548 1.00 0.00 C ATOM 921 CD2 TYR A 60 0.125 -12.816 -1.399 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.300 -10.670 -0.409 1.00 0.00 C ATOM 923 CE2 TYR A 60 -0.642 -12.967 -0.261 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.352 -11.891 0.231 1.00 0.00 C ATOM 925 OH TYR A 60 -2.117 -12.037 1.366 1.00 0.00 O ATOM 0 H TYR A 60 0.882 -13.259 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.771 -10.956 -4.373 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.731 -12.272 -3.378 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.631 -10.529 -3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.493 -9.572 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.681 -13.660 -1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.857 -9.830 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.686 -13.922 0.241 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.046 -12.958 1.692 1.00 0.00 H new ATOM 935 N LYS A 61 0.525 -9.179 -5.589 1.00 0.00 N ATOM 936 CA LYS A 61 1.105 -8.198 -6.499 1.00 0.00 C ATOM 937 C LYS A 61 2.029 -7.242 -5.751 1.00 0.00 C ATOM 938 O LYS A 61 2.123 -7.287 -4.526 1.00 0.00 O ATOM 939 CB LYS A 61 -0.001 -7.409 -7.204 1.00 0.00 C ATOM 940 CG LYS A 61 -0.789 -8.232 -8.209 1.00 0.00 C ATOM 941 CD LYS A 61 -1.306 -7.371 -9.349 1.00 0.00 C ATOM 942 CE LYS A 61 -2.397 -8.084 -10.134 1.00 0.00 C ATOM 943 NZ LYS A 61 -2.448 -7.630 -11.551 1.00 0.00 N ATOM 0 H LYS A 61 -0.178 -8.801 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 61 1.692 -8.734 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.686 -7.012 -6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.443 -6.555 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.156 -9.025 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.627 -8.716 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.695 -6.434 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.483 -7.116 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.222 -9.160 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.362 -7.904 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.204 -8.139 -12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.640 -6.608 -11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.536 -7.825 -12.011 1.00 0.00 H new ATOM 957 N ASN A 62 2.708 -6.378 -6.498 1.00 0.00 N ATOM 958 CA ASN A 62 3.624 -5.410 -5.905 1.00 0.00 C ATOM 959 C ASN A 62 3.814 -4.207 -6.824 1.00 0.00 C ATOM 960 O ASN A 62 3.709 -4.323 -8.045 1.00 0.00 O ATOM 961 CB ASN A 62 4.976 -6.066 -5.618 1.00 0.00 C ATOM 962 CG ASN A 62 5.296 -7.183 -6.593 1.00 0.00 C ATOM 963 OD1 ASN A 62 5.755 -6.936 -7.708 1.00 0.00 O ATOM 964 ND2 ASN A 62 5.052 -8.420 -6.175 1.00 0.00 N ATOM 0 H ASN A 62 2.642 -6.328 -7.515 1.00 0.00 H new ATOM 0 HA ASN A 62 3.190 -5.063 -4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.760 -5.311 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.976 -6.463 -4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.246 -9.213 -6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.671 -8.577 -5.242 1.00 0.00 H new ATOM 971 N ALA A 63 4.096 -3.053 -6.229 1.00 0.00 N ATOM 972 CA ALA A 63 4.304 -1.830 -6.993 1.00 0.00 C ATOM 973 C ALA A 63 5.540 -1.081 -6.506 1.00 0.00 C ATOM 974 O ALA A 63 5.674 -0.793 -5.318 1.00 0.00 O ATOM 975 CB ALA A 63 3.075 -0.937 -6.905 1.00 0.00 C ATOM 0 H ALA A 63 4.186 -2.940 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 63 4.466 -2.106 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.245 -0.027 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.211 -1.466 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.887 -0.678 -5.863 1.00 0.00 H new ATOM 981 N ASN A 64 6.441 -0.770 -7.433 1.00 0.00 N ATOM 982 CA ASN A 64 7.667 -0.056 -7.097 1.00 0.00 C ATOM 983 C ASN A 64 7.482 1.450 -7.260 1.00 0.00 C ATOM 984 O ASN A 64 7.260 1.941 -8.366 1.00 0.00 O ATOM 985 CB ASN A 64 8.821 -0.538 -7.978 1.00 0.00 C ATOM 986 CG ASN A 64 8.677 -0.083 -9.418 1.00 0.00 C ATOM 987 OD1 ASN A 64 7.774 -0.521 -10.132 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.569 0.799 -9.851 1.00 0.00 N ATOM 0 H ASN A 64 6.345 -1.001 -8.422 1.00 0.00 H new ATOM 0 HA ASN A 64 7.904 -0.264 -6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.763 -0.166 -7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.869 -1.627 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.523 1.141 -10.811 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.300 1.135 -9.224 1.00 0.00 H new ATOM 995 N ALA A 65 7.576 2.176 -6.151 1.00 0.00 N ATOM 996 CA ALA A 65 7.422 3.625 -6.172 1.00 0.00 C ATOM 997 C ALA A 65 7.974 4.254 -4.897 1.00 0.00 C ATOM 998 O ALA A 65 7.484 3.989 -3.799 1.00 0.00 O ATOM 999 CB ALA A 65 5.959 3.998 -6.357 1.00 0.00 C ATOM 0 H ALA A 65 7.758 1.784 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 65 7.993 4.014 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.859 5.083 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.595 3.588 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.373 3.590 -5.534 1.00 0.00 H new ATOM 1005 N THR A 66 8.996 5.090 -5.048 1.00 0.00 N ATOM 1006 CA THR A 66 9.616 5.755 -3.909 1.00 0.00 C ATOM 1007 C THR A 66 8.875 7.039 -3.553 1.00 0.00 C ATOM 1008 O THR A 66 9.112 8.091 -4.147 1.00 0.00 O ATOM 1009 CB THR A 66 11.093 6.089 -4.188 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.183 7.184 -5.106 1.00 0.00 O ATOM 1011 CG2 THR A 66 11.822 4.882 -4.759 1.00 0.00 C ATOM 0 H THR A 66 9.412 5.323 -5.950 1.00 0.00 H new ATOM 0 HA THR A 66 9.561 5.061 -3.070 1.00 0.00 H new ATOM 0 HB THR A 66 11.564 6.366 -3.245 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.324 7.654 -5.140 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.864 5.142 -4.948 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.777 4.059 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.348 4.579 -5.693 1.00 0.00 H new ATOM 1019 N THR A 67 7.976 6.947 -2.578 1.00 0.00 N ATOM 1020 CA THR A 67 7.199 8.101 -2.143 1.00 0.00 C ATOM 1021 C THR A 67 6.319 7.752 -0.947 1.00 0.00 C ATOM 1022 O THR A 67 6.220 6.589 -0.555 1.00 0.00 O ATOM 1023 CB THR A 67 6.311 8.642 -3.279 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.258 9.446 -2.737 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.719 7.501 -4.092 1.00 0.00 C ATOM 0 H THR A 67 7.768 6.085 -2.074 1.00 0.00 H new ATOM 0 HA THR A 67 7.913 8.871 -1.853 1.00 0.00 H new ATOM 0 HB THR A 67 6.931 9.252 -3.936 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.699 9.787 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.096 7.907 -4.889 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.524 6.909 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.113 6.868 -3.444 1.00 0.00 H new ATOM 1033 N LEU A 68 5.682 8.766 -0.373 1.00 0.00 N ATOM 1034 CA LEU A 68 4.808 8.567 0.778 1.00 0.00 C ATOM 1035 C LEU A 68 3.356 8.410 0.339 1.00 0.00 C ATOM 1036 O LEU A 68 2.435 8.557 1.142 1.00 0.00 O ATOM 1037 CB LEU A 68 4.935 9.743 1.749 1.00 0.00 C ATOM 1038 CG LEU A 68 6.162 9.731 2.661 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.560 11.149 3.039 1.00 0.00 C ATOM 1040 CD2 LEU A 68 5.893 8.900 3.907 1.00 0.00 C ATOM 0 H LEU A 68 5.754 9.734 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 68 5.116 7.652 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.946 10.667 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.043 9.770 2.374 1.00 0.00 H new ATOM 0 HG LEU A 68 6.990 9.276 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.435 11.120 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.796 11.713 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.735 11.631 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.777 8.903 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.051 9.325 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.658 7.876 3.617 1.00 0.00 H new ATOM 1052 N SER A 69 3.160 8.107 -0.940 1.00 0.00 N ATOM 1053 CA SER A 69 1.819 7.931 -1.487 1.00 0.00 C ATOM 1054 C SER A 69 1.871 7.214 -2.833 1.00 0.00 C ATOM 1055 O SER A 69 2.706 7.526 -3.683 1.00 0.00 O ATOM 1056 CB SER A 69 1.128 9.286 -1.644 1.00 0.00 C ATOM 1057 OG SER A 69 2.048 10.285 -2.049 1.00 0.00 O ATOM 0 H SER A 69 3.912 7.978 -1.617 1.00 0.00 H new ATOM 0 HA SER A 69 1.247 7.318 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.327 9.206 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.667 9.574 -0.699 1.00 0.00 H new ATOM 0 HG SER A 69 1.581 11.141 -2.144 1.00 0.00 H new ATOM 1063 N TYR A 70 0.974 6.253 -3.019 1.00 0.00 N ATOM 1064 CA TYR A 70 0.918 5.489 -4.260 1.00 0.00 C ATOM 1065 C TYR A 70 -0.500 5.465 -4.821 1.00 0.00 C ATOM 1066 O TYR A 70 -1.445 5.069 -4.137 1.00 0.00 O ATOM 1067 CB TYR A 70 1.411 4.060 -4.026 1.00 0.00 C ATOM 1068 CG TYR A 70 1.123 3.124 -5.178 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.087 3.592 -6.486 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.888 1.772 -4.959 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.824 2.740 -7.542 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.625 0.914 -6.009 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.594 1.402 -7.298 1.00 0.00 C ATOM 1074 OH TYR A 70 0.332 0.551 -8.347 1.00 0.00 O ATOM 0 H TYR A 70 0.275 5.984 -2.326 1.00 0.00 H new ATOM 0 HA TYR A 70 1.568 5.976 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.486 4.080 -3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.943 3.666 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.268 4.639 -6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.911 1.386 -3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.799 3.120 -8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.445 -0.134 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 70 0.194 -0.357 -8.005 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.641 5.890 -6.071 1.00 0.00 N ATOM 1085 CA LEU A 71 -1.944 5.918 -6.727 1.00 0.00 C ATOM 1086 C LEU A 71 -2.153 4.667 -7.576 1.00 0.00 C ATOM 1087 O LEU A 71 -1.499 4.486 -8.604 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.071 7.167 -7.600 1.00 0.00 C ATOM 1089 CG LEU A 71 -3.483 7.516 -8.072 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.139 6.311 -8.728 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.326 8.016 -6.908 1.00 0.00 C ATOM 0 H LEU A 71 0.130 6.220 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.712 5.943 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.675 8.017 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.438 7.038 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.412 8.313 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.143 6.578 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.546 5.997 -9.587 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.198 5.493 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.328 8.260 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.390 7.240 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.865 8.907 -6.481 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.069 3.809 -7.140 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.367 2.577 -7.861 1.00 0.00 C ATOM 1105 C VAL A 72 -4.563 2.758 -8.789 1.00 0.00 C ATOM 1106 O VAL A 72 -5.465 3.549 -8.510 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.654 1.415 -6.892 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.657 0.088 -7.636 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.635 1.399 -5.763 1.00 0.00 C ATOM 0 H VAL A 72 -3.618 3.944 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.485 2.336 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.642 1.563 -6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.861 -0.722 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.428 0.105 -8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.684 -0.071 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.853 0.572 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.635 1.275 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.686 2.339 -5.213 1.00 0.00 H new ATOM 1119 N THR A 73 -4.565 2.020 -9.894 1.00 0.00 N ATOM 1120 CA THR A 73 -5.650 2.099 -10.864 1.00 0.00 C ATOM 1121 C THR A 73 -5.819 0.780 -11.609 1.00 0.00 C ATOM 1122 O THR A 73 -4.839 0.114 -11.942 1.00 0.00 O ATOM 1123 CB THR A 73 -5.409 3.226 -11.886 1.00 0.00 C ATOM 1124 OG1 THR A 73 -4.203 2.975 -12.617 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.315 4.576 -11.191 1.00 0.00 C ATOM 0 H THR A 73 -3.827 1.360 -10.140 1.00 0.00 H new ATOM 0 HA THR A 73 -6.560 2.315 -10.304 1.00 0.00 H new ATOM 0 HB THR A 73 -6.253 3.248 -12.575 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.058 3.695 -13.266 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.145 5.356 -11.933 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.245 4.777 -10.660 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.488 4.563 -10.482 1.00 0.00 H new ATOM 1133 N GLY A 74 -7.068 0.409 -11.870 1.00 0.00 N ATOM 1134 CA GLY A 74 -7.342 -0.830 -12.576 1.00 0.00 C ATOM 1135 C GLY A 74 -7.941 -1.890 -11.674 1.00 0.00 C ATOM 1136 O GLY A 74 -7.565 -3.061 -11.745 1.00 0.00 O ATOM 0 H GLY A 74 -7.895 0.944 -11.606 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.026 -0.631 -13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.417 -1.208 -13.012 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.874 -1.482 -10.821 1.00 0.00 N ATOM 1141 CA LEU A 75 -9.526 -2.406 -9.899 1.00 0.00 C ATOM 1142 C LEU A 75 -10.998 -2.584 -10.257 1.00 0.00 C ATOM 1143 O LEU A 75 -11.584 -1.754 -10.951 1.00 0.00 O ATOM 1144 CB LEU A 75 -9.396 -1.899 -8.462 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.989 -1.500 -8.015 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -8.056 -0.502 -6.870 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -7.190 -2.729 -7.608 1.00 0.00 C ATOM 0 H LEU A 75 -9.196 -0.517 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.032 -3.374 -9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.052 -1.037 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.763 -2.675 -7.790 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.483 -1.024 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.046 -0.230 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.590 0.391 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.581 -0.951 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.192 -2.426 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.693 -3.233 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.112 -3.409 -8.456 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.590 -3.672 -9.776 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.995 -3.959 -10.041 1.00 0.00 C ATOM 1161 C LYS A 76 -13.899 -3.166 -9.101 1.00 0.00 C ATOM 1162 O LYS A 76 -13.591 -2.968 -7.926 1.00 0.00 O ATOM 1163 CB LYS A 76 -13.269 -5.456 -9.886 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.672 -6.302 -10.998 1.00 0.00 C ATOM 1165 CD LYS A 76 -13.574 -6.332 -12.220 1.00 0.00 C ATOM 1166 CE LYS A 76 -13.160 -7.427 -13.192 1.00 0.00 C ATOM 1167 NZ LYS A 76 -14.046 -7.472 -14.388 1.00 0.00 N ATOM 0 H LYS A 76 -11.119 -4.370 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.214 -3.660 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.869 -5.793 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.346 -5.618 -9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.696 -5.904 -11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.512 -7.318 -10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.606 -6.492 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.539 -5.366 -12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.130 -7.261 -13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.186 -8.391 -12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.731 -8.231 -15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.025 -7.656 -14.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.002 -6.561 -14.887 1.00 0.00 H new ATOM 1181 N PRO A 77 -15.042 -2.704 -9.629 1.00 0.00 N ATOM 1182 CA PRO A 77 -16.014 -1.928 -8.854 1.00 0.00 C ATOM 1183 C PRO A 77 -16.727 -2.774 -7.804 1.00 0.00 C ATOM 1184 O PRO A 77 -16.812 -3.995 -7.931 1.00 0.00 O ATOM 1185 CB PRO A 77 -17.007 -1.443 -9.914 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.905 -2.443 -11.014 1.00 0.00 C ATOM 1187 CD PRO A 77 -15.473 -2.903 -11.023 1.00 0.00 C ATOM 0 HA PRO A 77 -15.539 -1.122 -8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.020 -1.395 -9.515 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.755 -0.442 -10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.583 -3.280 -10.845 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.179 -2.000 -11.971 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.388 -3.947 -11.325 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.868 -2.320 -11.718 1.00 0.00 H new ATOM 1195 N ASN A 78 -17.238 -2.117 -6.768 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.943 -2.810 -5.696 1.00 0.00 C ATOM 1197 C ASN A 78 -17.268 -4.138 -5.371 1.00 0.00 C ATOM 1198 O ASN A 78 -17.918 -5.184 -5.325 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.403 -3.049 -6.089 1.00 0.00 C ATOM 1200 CG ASN A 78 -20.286 -3.330 -4.889 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.944 -4.368 -4.818 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.304 -2.403 -3.938 1.00 0.00 N ATOM 0 H ASN A 78 -17.177 -1.106 -6.648 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.911 -2.180 -4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.782 -2.175 -6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -19.457 -3.889 -6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -20.880 -2.536 -3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -19.742 -1.558 -4.039 1.00 0.00 H new ATOM 1209 N THR A 79 -15.959 -4.091 -5.144 1.00 0.00 N ATOM 1210 CA THR A 79 -15.195 -5.290 -4.824 1.00 0.00 C ATOM 1211 C THR A 79 -14.200 -5.024 -3.699 1.00 0.00 C ATOM 1212 O THR A 79 -13.640 -3.932 -3.598 1.00 0.00 O ATOM 1213 CB THR A 79 -14.433 -5.816 -6.054 1.00 0.00 C ATOM 1214 OG1 THR A 79 -15.352 -6.106 -7.113 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.641 -7.068 -5.706 1.00 0.00 C ATOM 0 H THR A 79 -15.406 -3.235 -5.176 1.00 0.00 H new ATOM 0 HA THR A 79 -15.912 -6.044 -4.501 1.00 0.00 H new ATOM 0 HB THR A 79 -13.736 -5.043 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.678 -5.268 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.111 -7.421 -6.591 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.922 -6.837 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.322 -7.844 -5.357 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.985 -6.028 -2.857 1.00 0.00 N ATOM 1224 CA LEU A 80 -13.056 -5.902 -1.739 1.00 0.00 C ATOM 1225 C LEU A 80 -11.617 -5.800 -2.235 1.00 0.00 C ATOM 1226 O LEU A 80 -11.163 -6.627 -3.027 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.198 -7.098 -0.795 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.843 -6.842 0.670 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.404 -6.368 0.795 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.797 -5.826 1.281 1.00 0.00 C ATOM 0 H LEU A 80 -14.441 -6.938 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.300 -4.988 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.228 -7.452 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.566 -7.905 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.944 -7.779 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.169 -6.191 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.734 -7.130 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.276 -5.443 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.529 -5.656 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.729 -4.887 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.817 -6.206 1.226 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.905 -4.783 -1.763 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.517 -4.573 -2.159 1.00 0.00 C ATOM 1244 C TYR A 81 -8.726 -3.905 -1.039 1.00 0.00 C ATOM 1245 O TYR A 81 -9.169 -2.914 -0.458 1.00 0.00 O ATOM 1246 CB TYR A 81 -9.450 -3.718 -3.426 1.00 0.00 C ATOM 1247 CG TYR A 81 -9.582 -4.517 -4.703 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -8.489 -5.179 -5.248 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.800 -4.609 -5.366 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.604 -5.909 -6.414 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.925 -5.338 -6.532 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.825 -5.986 -7.053 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.945 -6.713 -8.215 1.00 0.00 O ATOM 0 H TYR A 81 -11.266 -4.091 -1.106 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.072 -5.547 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.242 -2.970 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.503 -3.179 -3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.532 -5.122 -4.751 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.664 -4.102 -4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.744 -6.417 -6.824 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.880 -5.400 -7.033 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.870 -6.666 -8.536 1.00 0.00 H new ATOM 1263 N GLU A 82 -7.553 -4.454 -0.742 1.00 0.00 N ATOM 1264 CA GLU A 82 -6.700 -3.912 0.308 1.00 0.00 C ATOM 1265 C GLU A 82 -5.344 -3.494 -0.253 1.00 0.00 C ATOM 1266 O GLU A 82 -5.042 -3.736 -1.422 1.00 0.00 O ATOM 1267 CB GLU A 82 -6.507 -4.942 1.423 1.00 0.00 C ATOM 1268 CG GLU A 82 -5.803 -6.209 0.965 1.00 0.00 C ATOM 1269 CD GLU A 82 -4.418 -5.939 0.410 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -3.641 -5.226 1.078 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -4.111 -6.440 -0.692 1.00 0.00 O ATOM 0 H GLU A 82 -7.172 -5.274 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.191 -3.030 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.932 -4.488 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.481 -5.206 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.726 -6.901 1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.407 -6.700 0.202 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.530 -2.864 0.588 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.207 -2.411 0.176 1.00 0.00 C ATOM 1280 C PHE A 83 -2.252 -2.367 1.366 1.00 0.00 C ATOM 1281 O PHE A 83 -2.650 -2.034 2.482 1.00 0.00 O ATOM 1282 CB PHE A 83 -3.297 -1.028 -0.472 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.349 -0.933 -1.539 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -5.683 -0.769 -1.203 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -4.004 -1.009 -2.879 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -6.654 -0.681 -2.184 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -4.970 -0.921 -3.864 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.296 -0.759 -3.515 1.00 0.00 C ATOM 0 H PHE A 83 -4.764 -2.656 1.559 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.818 -3.121 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.506 -0.287 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.329 -0.774 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -5.968 -0.709 -0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.968 -1.138 -3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -7.690 -0.551 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.688 -0.979 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.053 -0.693 -4.283 1.00 0.00 H new ATOM 1298 N SER A 84 -0.991 -2.704 1.118 1.00 0.00 N ATOM 1299 CA SER A 84 0.020 -2.708 2.169 1.00 0.00 C ATOM 1300 C SER A 84 1.307 -2.044 1.687 1.00 0.00 C ATOM 1301 O SER A 84 1.672 -2.148 0.516 1.00 0.00 O ATOM 1302 CB SER A 84 0.311 -4.140 2.621 1.00 0.00 C ATOM 1303 OG SER A 84 -0.888 -4.878 2.779 1.00 0.00 O ATOM 0 H SER A 84 -0.645 -2.978 0.199 1.00 0.00 H new ATOM 0 HA SER A 84 -0.368 -2.139 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.951 -4.633 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.858 -4.123 3.563 1.00 0.00 H new ATOM 0 HG SER A 84 -0.675 -5.790 3.067 1.00 0.00 H new ATOM 1309 N VAL A 85 1.990 -1.360 2.600 1.00 0.00 N ATOM 1310 CA VAL A 85 3.236 -0.679 2.270 1.00 0.00 C ATOM 1311 C VAL A 85 4.378 -1.164 3.156 1.00 0.00 C ATOM 1312 O VAL A 85 4.193 -1.404 4.349 1.00 0.00 O ATOM 1313 CB VAL A 85 3.098 0.848 2.419 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.282 1.556 1.779 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.788 1.325 1.810 1.00 0.00 C ATOM 0 H VAL A 85 1.701 -1.263 3.573 1.00 0.00 H new ATOM 0 HA VAL A 85 3.461 -0.916 1.230 1.00 0.00 H new ATOM 0 HB VAL A 85 3.090 1.093 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.167 2.634 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.204 1.235 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.325 1.307 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.706 2.406 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.765 1.069 0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.953 0.842 2.319 1.00 0.00 H new ATOM 1325 N MET A 86 5.560 -1.305 2.565 1.00 0.00 N ATOM 1326 CA MET A 86 6.733 -1.759 3.301 1.00 0.00 C ATOM 1327 C MET A 86 7.986 -1.022 2.838 1.00 0.00 C ATOM 1328 O MET A 86 8.102 -0.650 1.670 1.00 0.00 O ATOM 1329 CB MET A 86 6.920 -3.267 3.124 1.00 0.00 C ATOM 1330 CG MET A 86 7.332 -3.668 1.717 1.00 0.00 C ATOM 1331 SD MET A 86 7.897 -5.377 1.618 1.00 0.00 S ATOM 1332 CE MET A 86 9.223 -5.366 2.823 1.00 0.00 C ATOM 0 H MET A 86 5.730 -1.111 1.578 1.00 0.00 H new ATOM 0 HA MET A 86 6.575 -1.541 4.357 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.675 -3.616 3.828 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.989 -3.773 3.379 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.487 -3.529 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.127 -3.006 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.115 -5.817 2.387 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.441 -4.339 3.114 1.00 0.00 H new ATOM 0 HE3 MET A 86 8.921 -5.936 3.702 1.00 0.00 H new ATOM 1342 N VAL A 87 8.920 -0.813 3.760 1.00 0.00 N ATOM 1343 CA VAL A 87 10.164 -0.121 3.445 1.00 0.00 C ATOM 1344 C VAL A 87 11.345 -1.084 3.450 1.00 0.00 C ATOM 1345 O VAL A 87 11.545 -1.836 4.405 1.00 0.00 O ATOM 1346 CB VAL A 87 10.440 1.019 4.444 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.404 0.497 5.873 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.777 1.679 4.142 1.00 0.00 C ATOM 0 H VAL A 87 8.839 -1.113 4.731 1.00 0.00 H new ATOM 0 HA VAL A 87 10.048 0.301 2.447 1.00 0.00 H new ATOM 0 HB VAL A 87 9.658 1.770 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.601 1.316 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.421 0.075 6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.164 -0.274 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.956 2.482 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.574 0.939 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.760 2.089 3.132 1.00 0.00 H new ATOM 1358 N THR A 88 12.128 -1.057 2.376 1.00 0.00 N ATOM 1359 CA THR A 88 13.291 -1.928 2.256 1.00 0.00 C ATOM 1360 C THR A 88 14.483 -1.177 1.674 1.00 0.00 C ATOM 1361 O THR A 88 14.357 -0.474 0.670 1.00 0.00 O ATOM 1362 CB THR A 88 12.987 -3.151 1.371 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.041 -4.005 2.023 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.258 -3.931 1.070 1.00 0.00 C ATOM 0 H THR A 88 11.978 -0.441 1.577 1.00 0.00 H new ATOM 0 HA THR A 88 13.536 -2.269 3.262 1.00 0.00 H new ATOM 0 HB THR A 88 12.567 -2.795 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.731 -4.690 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.018 -4.790 0.444 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.965 -3.287 0.547 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.703 -4.276 2.003 1.00 0.00 H new ATOM 1372 N LYS A 89 15.640 -1.330 2.308 1.00 0.00 N ATOM 1373 CA LYS A 89 16.856 -0.668 1.852 1.00 0.00 C ATOM 1374 C LYS A 89 17.890 -1.689 1.387 1.00 0.00 C ATOM 1375 O LYS A 89 19.087 -1.523 1.614 1.00 0.00 O ATOM 1376 CB LYS A 89 17.444 0.193 2.973 1.00 0.00 C ATOM 1377 CG LYS A 89 17.872 -0.605 4.192 1.00 0.00 C ATOM 1378 CD LYS A 89 18.571 0.274 5.216 1.00 0.00 C ATOM 1379 CE LYS A 89 17.584 1.166 5.951 1.00 0.00 C ATOM 1380 NZ LYS A 89 18.274 2.169 6.809 1.00 0.00 N ATOM 0 H LYS A 89 15.761 -1.907 3.140 1.00 0.00 H new ATOM 0 HA LYS A 89 16.597 -0.029 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 89 18.304 0.740 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.705 0.935 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.999 -1.072 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.540 -1.410 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.101 -0.352 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.319 0.891 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.952 1.681 5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.928 0.551 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.566 2.758 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.858 1.678 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.881 2.773 6.218 1.00 0.00 H new ATOM 1394 N GLY A 90 17.418 -2.746 0.732 1.00 0.00 N ATOM 1395 CA GLY A 90 18.315 -3.777 0.244 1.00 0.00 C ATOM 1396 C GLY A 90 18.288 -5.024 1.106 1.00 0.00 C ATOM 1397 O GLY A 90 17.569 -5.978 0.807 1.00 0.00 O ATOM 0 H GLY A 90 16.431 -2.906 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.041 -4.039 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.331 -3.384 0.210 1.00 0.00 H new ATOM 1401 N ARG A 91 19.075 -5.018 2.177 1.00 0.00 N ATOM 1402 CA ARG A 91 19.140 -6.159 3.083 1.00 0.00 C ATOM 1403 C ARG A 91 18.148 -5.999 4.231 1.00 0.00 C ATOM 1404 O ARG A 91 17.604 -6.981 4.735 1.00 0.00 O ATOM 1405 CB ARG A 91 20.557 -6.315 3.638 1.00 0.00 C ATOM 1406 CG ARG A 91 21.451 -7.200 2.784 1.00 0.00 C ATOM 1407 CD ARG A 91 22.141 -6.403 1.689 1.00 0.00 C ATOM 1408 NE ARG A 91 21.232 -6.076 0.594 1.00 0.00 N ATOM 1409 CZ ARG A 91 21.629 -5.550 -0.559 1.00 0.00 C ATOM 1410 NH1 ARG A 91 22.913 -5.293 -0.767 1.00 0.00 N ATOM 1411 NH2 ARG A 91 20.741 -5.280 -1.508 1.00 0.00 N ATOM 0 H ARG A 91 19.676 -4.237 2.439 1.00 0.00 H new ATOM 0 HA ARG A 91 18.876 -7.054 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.014 -5.329 3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.501 -6.732 4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 91 22.200 -7.678 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 91 20.856 -7.996 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 91 22.546 -5.483 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.984 -6.974 1.301 1.00 0.00 H new ATOM 0 HE ARG A 91 20.237 -6.262 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 91 23.599 -5.499 -0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 91 23.215 -4.889 -1.654 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.752 -5.476 -1.352 1.00 0.00 H new ATOM 0 HH22 ARG A 91 21.047 -4.876 -2.393 1.00 0.00 H new ATOM 1425 N ARG A 92 17.918 -4.755 4.639 1.00 0.00 N ATOM 1426 CA ARG A 92 16.993 -4.467 5.728 1.00 0.00 C ATOM 1427 C ARG A 92 15.609 -4.116 5.188 1.00 0.00 C ATOM 1428 O ARG A 92 15.483 -3.386 4.205 1.00 0.00 O ATOM 1429 CB ARG A 92 17.524 -3.317 6.586 1.00 0.00 C ATOM 1430 CG ARG A 92 18.586 -3.744 7.586 1.00 0.00 C ATOM 1431 CD ARG A 92 17.982 -4.530 8.739 1.00 0.00 C ATOM 1432 NE ARG A 92 17.942 -5.964 8.462 1.00 0.00 N ATOM 1433 CZ ARG A 92 18.997 -6.763 8.570 1.00 0.00 C ATOM 1434 NH1 ARG A 92 20.169 -6.272 8.949 1.00 0.00 N ATOM 1435 NH2 ARG A 92 18.881 -8.057 8.301 1.00 0.00 N ATOM 0 H ARG A 92 18.360 -3.931 4.232 1.00 0.00 H new ATOM 0 HA ARG A 92 16.907 -5.362 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.939 -2.549 5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.692 -2.862 7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.337 -4.353 7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.098 -2.863 7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.564 -4.352 9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.972 -4.170 8.933 1.00 0.00 H new ATOM 0 HE ARG A 92 17.055 -6.374 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.262 -5.278 9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.978 -6.888 9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 92 17.981 -8.439 8.011 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.692 -8.670 8.384 1.00 0.00 H new ATOM 1449 N SER A 93 14.576 -4.642 5.838 1.00 0.00 N ATOM 1450 CA SER A 93 13.202 -4.388 5.420 1.00 0.00 C ATOM 1451 C SER A 93 12.260 -4.386 6.621 1.00 0.00 C ATOM 1452 O SER A 93 12.677 -4.643 7.751 1.00 0.00 O ATOM 1453 CB SER A 93 12.751 -5.441 4.406 1.00 0.00 C ATOM 1454 OG SER A 93 12.904 -6.750 4.928 1.00 0.00 O ATOM 0 H SER A 93 14.664 -5.246 6.655 1.00 0.00 H new ATOM 0 HA SER A 93 13.168 -3.405 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.707 -5.272 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.333 -5.341 3.490 1.00 0.00 H new ATOM 0 HG SER A 93 12.607 -7.405 4.262 1.00 0.00 H new ATOM 1460 N SER A 94 10.989 -4.095 6.368 1.00 0.00 N ATOM 1461 CA SER A 94 9.988 -4.056 7.428 1.00 0.00 C ATOM 1462 C SER A 94 8.736 -4.828 7.021 1.00 0.00 C ATOM 1463 O SER A 94 8.390 -4.898 5.841 1.00 0.00 O ATOM 1464 CB SER A 94 9.622 -2.608 7.760 1.00 0.00 C ATOM 1465 OG SER A 94 8.850 -2.026 6.724 1.00 0.00 O ATOM 0 H SER A 94 10.627 -3.883 5.438 1.00 0.00 H new ATOM 0 HA SER A 94 10.414 -4.528 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.063 -2.576 8.695 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.531 -2.026 7.911 1.00 0.00 H new ATOM 0 HG SER A 94 7.921 -2.329 6.799 1.00 0.00 H new ATOM 1471 N THR A 95 8.059 -5.407 8.008 1.00 0.00 N ATOM 1472 CA THR A 95 6.847 -6.175 7.755 1.00 0.00 C ATOM 1473 C THR A 95 5.812 -5.340 7.011 1.00 0.00 C ATOM 1474 O THR A 95 6.019 -4.151 6.767 1.00 0.00 O ATOM 1475 CB THR A 95 6.226 -6.693 9.067 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.256 -7.707 8.783 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.569 -5.558 9.839 1.00 0.00 C ATOM 0 H THR A 95 8.330 -5.358 8.990 1.00 0.00 H new ATOM 0 HA THR A 95 7.135 -7.026 7.137 1.00 0.00 H new ATOM 0 HB THR A 95 7.023 -7.115 9.679 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.867 -8.032 9.622 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.138 -5.947 10.761 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.316 -4.801 10.079 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.782 -5.112 9.231 1.00 0.00 H new ATOM 1485 N TRP A 96 4.697 -5.968 6.654 1.00 0.00 N ATOM 1486 CA TRP A 96 3.629 -5.281 5.937 1.00 0.00 C ATOM 1487 C TRP A 96 2.676 -4.594 6.909 1.00 0.00 C ATOM 1488 O TRP A 96 1.856 -5.246 7.554 1.00 0.00 O ATOM 1489 CB TRP A 96 2.858 -6.268 5.060 1.00 0.00 C ATOM 1490 CG TRP A 96 3.711 -6.932 4.022 1.00 0.00 C ATOM 1491 CD1 TRP A 96 4.232 -8.193 4.073 1.00 0.00 C ATOM 1492 CD2 TRP A 96 4.144 -6.367 2.779 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.962 -8.447 2.937 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.923 -7.343 2.127 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.947 -5.134 2.153 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.505 -7.120 0.882 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.525 -4.914 0.917 1.00 0.00 C ATOM 1498 CH2 TRP A 96 5.296 -5.904 0.292 1.00 0.00 C ATOM 0 H TRP A 96 4.509 -6.951 6.849 1.00 0.00 H new ATOM 0 HA TRP A 96 4.083 -4.520 5.302 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.409 -7.032 5.694 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.040 -5.743 4.566 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.091 -8.889 4.887 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.453 -9.317 2.730 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.353 -4.366 2.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 6.101 -7.881 0.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.380 -3.964 0.425 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.734 -5.702 -0.675 1.00 0.00 H new ATOM 1509 N SER A 97 2.790 -3.273 7.009 1.00 0.00 N ATOM 1510 CA SER A 97 1.940 -2.498 7.905 1.00 0.00 C ATOM 1511 C SER A 97 0.497 -2.990 7.846 1.00 0.00 C ATOM 1512 O SER A 97 0.114 -3.716 6.929 1.00 0.00 O ATOM 1513 CB SER A 97 1.999 -1.013 7.543 1.00 0.00 C ATOM 1514 OG SER A 97 1.563 -0.795 6.212 1.00 0.00 O ATOM 0 H SER A 97 3.463 -2.718 6.480 1.00 0.00 H new ATOM 0 HA SER A 97 2.310 -2.631 8.921 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.375 -0.443 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.019 -0.647 7.659 1.00 0.00 H new ATOM 0 HG SER A 97 2.219 -1.169 5.587 1.00 0.00 H new ATOM 1520 N MET A 98 -0.299 -2.589 8.832 1.00 0.00 N ATOM 1521 CA MET A 98 -1.701 -2.988 8.892 1.00 0.00 C ATOM 1522 C MET A 98 -2.364 -2.852 7.525 1.00 0.00 C ATOM 1523 O MET A 98 -2.601 -1.743 7.045 1.00 0.00 O ATOM 1524 CB MET A 98 -2.451 -2.140 9.922 1.00 0.00 C ATOM 1525 CG MET A 98 -2.362 -0.645 9.659 1.00 0.00 C ATOM 1526 SD MET A 98 -2.940 0.341 11.053 1.00 0.00 S ATOM 1527 CE MET A 98 -4.713 0.256 10.816 1.00 0.00 C ATOM 0 H MET A 98 0.002 -1.989 9.600 1.00 0.00 H new ATOM 0 HA MET A 98 -1.742 -4.035 9.194 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.500 -2.437 9.931 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.052 -2.351 10.914 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.329 -0.380 9.435 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.952 -0.400 8.776 1.00 0.00 H new ATOM 0 HE1 MET A 98 -5.213 0.820 11.603 1.00 0.00 H new ATOM 0 HE2 MET A 98 -4.971 0.680 9.846 1.00 0.00 H new ATOM 0 HE3 MET A 98 -5.036 -0.784 10.855 1.00 0.00 H new ATOM 1537 N THR A 99 -2.661 -3.988 6.901 1.00 0.00 N ATOM 1538 CA THR A 99 -3.295 -3.996 5.589 1.00 0.00 C ATOM 1539 C THR A 99 -4.505 -3.069 5.557 1.00 0.00 C ATOM 1540 O THR A 99 -5.455 -3.246 6.319 1.00 0.00 O ATOM 1541 CB THR A 99 -3.740 -5.415 5.188 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.632 -6.318 5.274 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.302 -5.428 3.775 1.00 0.00 C ATOM 0 H THR A 99 -2.472 -4.914 7.284 1.00 0.00 H new ATOM 0 HA THR A 99 -2.550 -3.642 4.877 1.00 0.00 H new ATOM 0 HB THR A 99 -4.523 -5.734 5.876 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.923 -7.218 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.609 -6.441 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.163 -4.762 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.537 -5.090 3.076 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.463 -2.080 4.670 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.558 -1.126 4.538 1.00 0.00 C ATOM 1553 C ALA A 100 -6.611 -1.632 3.557 1.00 0.00 C ATOM 1554 O ALA A 100 -6.300 -1.962 2.412 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.027 0.228 4.093 1.00 0.00 C ATOM 0 H ALA A 100 -3.683 -1.918 4.033 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.031 -1.016 5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.855 0.930 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.317 0.601 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.528 0.124 3.130 1.00 0.00 H new ATOM 1561 N HIS A 101 -7.858 -1.691 4.013 1.00 0.00 N ATOM 1562 CA HIS A 101 -8.957 -2.157 3.176 1.00 0.00 C ATOM 1563 C HIS A 101 -9.725 -0.980 2.582 1.00 0.00 C ATOM 1564 O HIS A 101 -9.932 0.036 3.244 1.00 0.00 O ATOM 1565 CB HIS A 101 -9.905 -3.042 3.986 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.270 -4.306 4.477 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.013 -5.473 3.840 1.00 0.00 N flip ATOM 1568 CD2 HIS A 101 -8.820 -4.470 5.770 1.00 0.00 C flip ATOM 1569 CE1 HIS A 101 -8.417 -6.311 4.750 1.00 0.00 C flip ATOM 1570 NE2 HIS A 101 -8.312 -5.682 5.907 1.00 0.00 N flip ATOM 0 H HIS A 101 -8.132 -1.422 4.958 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.535 -2.742 2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.277 -2.476 4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.769 -3.294 3.371 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.874 -3.724 6.549 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.088 -7.320 4.552 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.908 -6.067 6.761 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.144 -1.124 1.328 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.882 -0.065 0.666 1.00 0.00 C ATOM 1581 C GLY A 102 -11.813 -0.591 -0.408 1.00 0.00 C ATOM 1582 O GLY A 102 -11.375 -1.251 -1.352 1.00 0.00 O ATOM 0 H GLY A 102 -9.985 -1.956 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.461 0.487 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.180 0.639 0.220 1.00 0.00 H new ATOM 1586 N THR A 103 -13.102 -0.300 -0.267 1.00 0.00 N ATOM 1587 CA THR A 103 -14.098 -0.751 -1.231 1.00 0.00 C ATOM 1588 C THR A 103 -14.376 0.323 -2.277 1.00 0.00 C ATOM 1589 O THR A 103 -14.775 1.440 -1.946 1.00 0.00 O ATOM 1590 CB THR A 103 -15.420 -1.130 -0.538 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.153 -1.903 0.637 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.316 -1.921 -1.479 1.00 0.00 C ATOM 0 H THR A 103 -13.481 0.247 0.506 1.00 0.00 H new ATOM 0 HA THR A 103 -13.687 -1.634 -1.720 1.00 0.00 H new ATOM 0 HB THR A 103 -15.935 -0.211 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.999 -2.138 1.073 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.244 -2.178 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.541 -1.319 -2.359 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.806 -2.834 -1.785 1.00 0.00 H new ATOM 1600 N THR A 104 -14.162 -0.021 -3.543 1.00 0.00 N ATOM 1601 CA THR A 104 -14.389 0.913 -4.638 1.00 0.00 C ATOM 1602 C THR A 104 -15.879 1.119 -4.886 1.00 0.00 C ATOM 1603 O THR A 104 -16.694 0.246 -4.589 1.00 0.00 O ATOM 1604 CB THR A 104 -13.727 0.425 -5.940 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.815 -1.002 -6.030 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.268 0.852 -5.999 1.00 0.00 C ATOM 0 H THR A 104 -13.831 -0.941 -3.835 1.00 0.00 H new ATOM 0 HA THR A 104 -13.938 1.860 -4.343 1.00 0.00 H new ATOM 0 HB THR A 104 -14.255 0.875 -6.780 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.657 -1.282 -6.956 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.822 0.496 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.205 1.940 -5.960 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.730 0.427 -5.152 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.229 2.279 -5.432 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.622 2.600 -5.719 1.00 0.00 C ATOM 1616 C PHE A 105 -18.140 1.772 -6.891 1.00 0.00 C ATOM 1617 O PHE A 105 -17.365 1.137 -7.606 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.771 4.091 -6.028 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.630 4.971 -4.819 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.380 4.729 -3.679 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.748 6.039 -4.822 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.252 5.536 -2.564 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.616 6.850 -3.710 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.370 6.599 -2.580 1.00 0.00 C ATOM 0 H PHE A 105 -15.567 3.012 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.214 2.358 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.021 4.378 -6.766 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.747 4.264 -6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.072 3.900 -3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.157 6.241 -5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.841 5.336 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.924 7.679 -3.725 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.270 7.232 -1.711 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.456 1.785 -7.082 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.077 1.034 -8.166 1.00 0.00 C ATOM 1636 C GLU A 106 -19.842 1.721 -9.508 1.00 0.00 C ATOM 1637 O GLU A 106 -19.774 2.949 -9.587 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.579 0.881 -7.915 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.940 -0.363 -7.122 1.00 0.00 C ATOM 1640 CD GLU A 106 -21.912 -1.622 -7.967 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -20.956 -1.790 -8.752 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -22.847 -2.440 -7.842 1.00 0.00 O ATOM 0 H GLU A 106 -20.112 2.307 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.619 0.046 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.941 1.760 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.098 0.854 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.245 -0.473 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -22.934 -0.240 -6.693 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.718 0.922 -10.562 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.490 1.452 -11.902 1.00 0.00 C ATOM 1651 C LEU A 107 -20.804 1.875 -12.551 1.00 0.00 C ATOM 1652 O LEU A 107 -21.409 1.114 -13.305 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.792 0.406 -12.773 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.894 0.950 -13.885 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -17.016 -0.156 -14.451 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -18.733 1.584 -14.985 1.00 0.00 C ATOM 0 H LEU A 107 -19.772 -0.095 -10.515 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.850 2.330 -11.815 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.190 -0.233 -12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -19.554 -0.228 -13.226 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.247 1.718 -13.461 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.384 0.250 -15.241 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -16.389 -0.564 -13.658 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.645 -0.947 -14.860 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.078 1.966 -15.768 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -19.405 0.837 -15.407 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -19.318 2.404 -14.569 1.00 0.00 H new ATOM 1668 N SER A 108 -21.237 3.096 -12.254 1.00 0.00 N ATOM 1669 CA SER A 108 -22.480 3.621 -12.807 1.00 0.00 C ATOM 1670 C SER A 108 -23.523 2.516 -12.944 1.00 0.00 C ATOM 1671 O SER A 108 -24.281 2.479 -13.913 1.00 0.00 O ATOM 1672 CB SER A 108 -22.224 4.268 -14.170 1.00 0.00 C ATOM 1673 OG SER A 108 -21.421 5.429 -14.041 1.00 0.00 O ATOM 0 H SER A 108 -20.746 3.740 -11.634 1.00 0.00 H new ATOM 0 HA SER A 108 -22.864 4.376 -12.121 1.00 0.00 H new ATOM 0 HB2 SER A 108 -21.731 3.553 -14.829 1.00 0.00 H new ATOM 0 HB3 SER A 108 -23.174 4.529 -14.636 1.00 0.00 H new ATOM 0 HG SER A 108 -21.271 5.823 -14.926 1.00 0.00 H new ATOM 1679 N GLY A 109 -23.555 1.616 -11.966 1.00 0.00 N ATOM 1680 CA GLY A 109 -24.508 0.522 -11.995 1.00 0.00 C ATOM 1681 C GLY A 109 -23.855 -0.807 -12.317 1.00 0.00 C ATOM 1682 O GLY A 109 -22.844 -0.873 -13.016 1.00 0.00 O ATOM 0 H GLY A 109 -22.938 1.625 -11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -25.007 0.453 -11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -25.278 0.734 -12.737 1.00 0.00 H new ATOM 1686 N PRO A 110 -24.437 -1.898 -11.796 1.00 0.00 N ATOM 1687 CA PRO A 110 -23.921 -3.252 -12.017 1.00 0.00 C ATOM 1688 C PRO A 110 -24.111 -3.717 -13.457 1.00 0.00 C ATOM 1689 O PRO A 110 -25.194 -3.582 -14.025 1.00 0.00 O ATOM 1690 CB PRO A 110 -24.756 -4.110 -11.063 1.00 0.00 C ATOM 1691 CG PRO A 110 -26.022 -3.347 -10.877 1.00 0.00 C ATOM 1692 CD PRO A 110 -25.644 -1.893 -10.953 1.00 0.00 C ATOM 0 HA PRO A 110 -22.848 -3.313 -11.838 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -24.947 -5.097 -11.483 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -24.242 -4.261 -10.114 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -26.748 -3.602 -11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -26.481 -3.581 -9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -26.440 -1.293 -11.395 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -25.443 -1.478 -9.965 1.00 0.00 H new ATOM 1700 N SER A 111 -23.051 -4.267 -14.041 1.00 0.00 N ATOM 1701 CA SER A 111 -23.100 -4.749 -15.416 1.00 0.00 C ATOM 1702 C SER A 111 -23.671 -6.163 -15.476 1.00 0.00 C ATOM 1703 O SER A 111 -23.054 -7.113 -14.995 1.00 0.00 O ATOM 1704 CB SER A 111 -21.703 -4.724 -16.039 1.00 0.00 C ATOM 1705 OG SER A 111 -21.775 -4.679 -17.453 1.00 0.00 O ATOM 0 H SER A 111 -22.148 -4.390 -13.583 1.00 0.00 H new ATOM 0 HA SER A 111 -23.754 -4.087 -15.983 1.00 0.00 H new ATOM 0 HB2 SER A 111 -21.154 -3.857 -15.672 1.00 0.00 H new ATOM 0 HB3 SER A 111 -21.147 -5.609 -15.728 1.00 0.00 H new ATOM 0 HG SER A 111 -20.869 -4.662 -17.826 1.00 0.00 H new ATOM 1711 N SER A 112 -24.853 -6.293 -16.070 1.00 0.00 N ATOM 1712 CA SER A 112 -25.510 -7.589 -16.190 1.00 0.00 C ATOM 1713 C SER A 112 -25.371 -8.139 -17.606 1.00 0.00 C ATOM 1714 O SER A 112 -24.976 -9.288 -17.801 1.00 0.00 O ATOM 1715 CB SER A 112 -26.990 -7.471 -15.819 1.00 0.00 C ATOM 1716 OG SER A 112 -27.698 -8.647 -16.167 1.00 0.00 O ATOM 0 H SER A 112 -25.375 -5.516 -16.476 1.00 0.00 H new ATOM 0 HA SER A 112 -25.024 -8.280 -15.501 1.00 0.00 H new ATOM 0 HB2 SER A 112 -27.086 -7.288 -14.749 1.00 0.00 H new ATOM 0 HB3 SER A 112 -27.429 -6.614 -16.330 1.00 0.00 H new ATOM 0 HG SER A 112 -28.641 -8.547 -15.918 1.00 0.00 H new ATOM 1722 N GLY A 113 -25.699 -7.310 -18.591 1.00 0.00 N ATOM 1723 CA GLY A 113 -25.605 -7.730 -19.977 1.00 0.00 C ATOM 1724 C GLY A 113 -26.815 -8.526 -20.425 1.00 0.00 C ATOM 1725 O GLY A 113 -27.775 -7.964 -20.953 1.00 0.00 O ATOM 0 H GLY A 113 -26.028 -6.354 -18.454 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -25.496 -6.852 -20.613 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -24.707 -8.333 -20.110 1.00 0.00 H new TER 1729 GLY A 113