USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 915 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: B 111 GLN : amide:sc= 0.18 K(o=1.6,f=-6.7!) USER MOD Set 1.2: B 114 LYS NZ :NH3+ -145:sc= 1.45 (180deg=1.16) USER MOD Set 2.1: A 34 SER OG : rot -100:sc= 0.146 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 23 THR OG1 : rot 97:sc= -0.0142 USER MOD Set 3.2: A 25 SER OG : rot -51:sc= -0.0505 USER MOD Single : A 1 TYR N :NH3+ 155:sc= 1.42 (180deg=1.13) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -135:sc= 1.18 USER MOD Single : A 9 MET CE :methyl -158:sc= -0.112 (180deg=-1.15) USER MOD Single : A 10 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-1.8) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.233 F(o=-1.1,f=-0.23) USER MOD Single : A 16 TYR OH : rot 70:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= 0.0285 (180deg=-0.42) USER MOD Single : A 24 MET CE :methyl 163:sc= -0.0882 (180deg=-0.485) USER MOD Single : A 30 GLN : amide:sc= 1.62 K(o=1.6,f=-9.4!) USER MOD Single : A 35 GLN : amide:sc= 1.52 K(o=1.5,f=-6.8!) USER MOD Single : A 38 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-3.9!) USER MOD Single : A 40 HIS : +bothHN:sc= -2.47! C(o=-2.5!,f=-5.5!) USER MOD Single : A 42 TYR OH : rot -98:sc= -3.28! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0.869 (180deg=0.869) USER MOD Single : A 49 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.9) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.05) USER MOD Single : A 51 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0331) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.427 K(o=-0.43,f=-4.1!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.519 K(o=0.52,f=-12!) USER MOD Single : A 70 THR OG1 : rot 100:sc= 0.806 USER MOD Single : A 71 THR OG1 : rot -40:sc= 0.0341 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= 1.24 (180deg=0.991) USER MOD Single : A 79 TYR OH : rot 35:sc= 0.849 USER MOD Single : B 100 SER OG : rot 180:sc= -0.281 USER MOD Single : B 103 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.03) USER MOD Single : B 105 THR OG1 : rot -89:sc= 1.81 USER MOD Single : B 115 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : B 118 HIS : +bothHN:sc= 1.75 K(o=1.8,f=-11!) USER MOD Single : B 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 128 SER OG : rot 180:sc= -0.0298 USER MOD Single : B 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -18.292 19.445 -5.357 1.00 0.00 N ATOM 2 CA TYR A 1 -18.709 18.151 -5.889 1.00 0.00 C ATOM 3 C TYR A 1 -17.473 17.318 -6.119 1.00 0.00 C ATOM 4 O TYR A 1 -16.371 17.743 -5.753 1.00 0.00 O ATOM 5 CB TYR A 1 -19.447 18.336 -7.222 1.00 0.00 C ATOM 6 CG TYR A 1 -20.674 19.202 -7.138 1.00 0.00 C ATOM 7 CD1 TYR A 1 -21.836 18.731 -6.548 1.00 0.00 C ATOM 8 CD2 TYR A 1 -20.677 20.486 -7.664 1.00 0.00 C ATOM 9 CE1 TYR A 1 -22.965 19.513 -6.485 1.00 0.00 C ATOM 10 CE2 TYR A 1 -21.803 21.275 -7.601 1.00 0.00 C ATOM 11 CZ TYR A 1 -22.944 20.781 -7.011 1.00 0.00 C ATOM 12 OH TYR A 1 -24.074 21.559 -6.956 1.00 0.00 O ATOM 0 H1 TYR A 1 -19.013 20.161 -5.579 1.00 0.00 H new ATOM 0 H2 TYR A 1 -18.179 19.376 -4.325 1.00 0.00 H new ATOM 0 H3 TYR A 1 -17.386 19.721 -5.787 1.00 0.00 H new ATOM 0 HA TYR A 1 -19.380 17.662 -5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -18.759 18.771 -7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -19.734 17.356 -7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -21.855 17.735 -6.131 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -19.782 20.872 -8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -23.864 19.132 -6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -21.791 22.274 -8.011 1.00 0.00 H new ATOM 0 HH TYR A 1 -23.893 22.428 -7.370 1.00 0.00 H new ATOM 24 N VAL A 2 -17.635 16.133 -6.685 1.00 0.00 N ATOM 25 CA VAL A 2 -16.497 15.320 -7.065 1.00 0.00 C ATOM 26 C VAL A 2 -15.951 15.787 -8.415 1.00 0.00 C ATOM 27 O VAL A 2 -16.390 15.377 -9.488 1.00 0.00 O ATOM 28 CB VAL A 2 -16.771 13.782 -7.023 1.00 0.00 C ATOM 29 CG1 VAL A 2 -16.945 13.326 -5.583 1.00 0.00 C ATOM 30 CG2 VAL A 2 -18.005 13.396 -7.841 1.00 0.00 C ATOM 0 H VAL A 2 -18.543 15.715 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.727 15.470 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.910 13.283 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.136 12.253 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.038 13.545 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.787 13.853 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.157 12.318 -7.783 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.881 13.908 -7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.857 13.686 -8.881 1.00 0.00 H new ATOM 40 N GLU A 3 -15.062 16.725 -8.327 1.00 0.00 N ATOM 41 CA GLU A 3 -14.477 17.377 -9.477 1.00 0.00 C ATOM 42 C GLU A 3 -13.034 16.892 -9.653 1.00 0.00 C ATOM 43 O GLU A 3 -12.538 16.719 -10.767 1.00 0.00 O ATOM 44 CB GLU A 3 -14.557 18.886 -9.221 1.00 0.00 C ATOM 45 CG GLU A 3 -16.008 19.373 -9.086 1.00 0.00 C ATOM 46 CD GLU A 3 -16.166 20.644 -8.288 1.00 0.00 C ATOM 47 OE1 GLU A 3 -15.837 21.745 -8.795 1.00 0.00 O ATOM 48 OE2 GLU A 3 -16.636 20.571 -7.129 1.00 0.00 O ATOM 0 H GLU A 3 -14.708 17.074 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.005 17.140 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.008 19.129 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.071 19.418 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.420 19.530 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.600 18.587 -8.617 1.00 0.00 H new ATOM 55 N PHE A 4 -12.414 16.639 -8.532 1.00 0.00 N ATOM 56 CA PHE A 4 -11.063 16.109 -8.390 1.00 0.00 C ATOM 57 C PHE A 4 -10.911 15.959 -6.918 1.00 0.00 C ATOM 58 O PHE A 4 -10.475 14.940 -6.418 1.00 0.00 O ATOM 59 CB PHE A 4 -9.992 17.065 -8.947 1.00 0.00 C ATOM 60 CG PHE A 4 -8.605 16.479 -8.975 1.00 0.00 C ATOM 61 CD1 PHE A 4 -8.206 15.674 -10.029 1.00 0.00 C ATOM 62 CD2 PHE A 4 -7.702 16.735 -7.955 1.00 0.00 C ATOM 63 CE1 PHE A 4 -6.936 15.134 -10.065 1.00 0.00 C ATOM 64 CE2 PHE A 4 -6.429 16.196 -7.988 1.00 0.00 C ATOM 65 CZ PHE A 4 -6.047 15.396 -9.043 1.00 0.00 C ATOM 0 H PHE A 4 -12.858 16.805 -7.629 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.928 15.182 -8.947 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.272 17.359 -9.959 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.980 17.973 -8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.897 15.466 -10.833 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.996 17.362 -7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.639 14.507 -10.893 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.734 16.402 -7.187 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.053 14.975 -9.070 1.00 0.00 H new ATOM 75 N SER A 5 -11.329 17.034 -6.257 1.00 0.00 N ATOM 76 CA SER A 5 -11.551 17.147 -4.881 1.00 0.00 C ATOM 77 C SER A 5 -10.409 16.676 -3.998 1.00 0.00 C ATOM 78 O SER A 5 -10.278 15.475 -3.703 1.00 0.00 O ATOM 79 CB SER A 5 -12.871 16.495 -4.579 1.00 0.00 C ATOM 80 OG SER A 5 -13.826 16.886 -5.592 1.00 0.00 O ATOM 0 H SER A 5 -11.529 17.907 -6.745 1.00 0.00 H new ATOM 0 HA SER A 5 -11.593 18.205 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.761 15.411 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.223 16.795 -3.592 1.00 0.00 H new ATOM 0 HG SER A 5 -14.672 17.135 -5.165 1.00 0.00 H new ATOM 86 N GLU A 6 -9.587 17.650 -3.610 1.00 0.00 N ATOM 87 CA GLU A 6 -8.469 17.477 -2.711 1.00 0.00 C ATOM 88 C GLU A 6 -7.285 16.864 -3.444 1.00 0.00 C ATOM 89 O GLU A 6 -7.274 15.680 -3.809 1.00 0.00 O ATOM 90 CB GLU A 6 -8.893 16.709 -1.470 1.00 0.00 C ATOM 91 CG GLU A 6 -7.893 16.724 -0.335 1.00 0.00 C ATOM 92 CD GLU A 6 -8.435 16.074 0.903 1.00 0.00 C ATOM 93 OE1 GLU A 6 -8.378 14.846 1.029 1.00 0.00 O ATOM 94 OE2 GLU A 6 -8.961 16.782 1.785 1.00 0.00 O ATOM 0 H GLU A 6 -9.693 18.613 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.130 18.450 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.835 17.122 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.086 15.673 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.984 16.209 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.615 17.754 -0.111 1.00 0.00 H new ATOM 101 N GLU A 7 -6.321 17.705 -3.697 1.00 0.00 N ATOM 102 CA GLU A 7 -5.159 17.358 -4.471 1.00 0.00 C ATOM 103 C GLU A 7 -4.114 16.756 -3.564 1.00 0.00 C ATOM 104 O GLU A 7 -3.467 15.763 -3.905 1.00 0.00 O ATOM 105 CB GLU A 7 -4.572 18.597 -5.186 1.00 0.00 C ATOM 106 CG GLU A 7 -5.554 19.404 -6.064 1.00 0.00 C ATOM 107 CD GLU A 7 -6.614 20.141 -5.265 1.00 0.00 C ATOM 108 OE1 GLU A 7 -6.272 21.099 -4.548 1.00 0.00 O ATOM 109 OE2 GLU A 7 -7.809 19.786 -5.339 1.00 0.00 O ATOM 0 H GLU A 7 -6.320 18.670 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.456 16.635 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.159 19.265 -4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.741 18.271 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.991 20.124 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.043 18.727 -6.765 1.00 0.00 H new ATOM 116 N CYS A 8 -3.958 17.348 -2.413 1.00 0.00 N ATOM 117 CA CYS A 8 -3.026 16.865 -1.450 1.00 0.00 C ATOM 118 C CYS A 8 -3.730 16.228 -0.326 1.00 0.00 C ATOM 119 O CYS A 8 -4.716 16.759 0.201 1.00 0.00 O ATOM 120 CB CYS A 8 -2.051 17.932 -0.994 1.00 0.00 C ATOM 121 SG CYS A 8 -2.795 19.540 -0.606 1.00 0.00 S ATOM 0 H CYS A 8 -4.476 18.177 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.415 16.104 -1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.527 17.569 -0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.302 18.074 -1.773 1.00 0.00 H new ATOM 126 N MET A 9 -3.205 15.125 0.068 1.00 0.00 N ATOM 127 CA MET A 9 -3.876 14.268 1.002 1.00 0.00 C ATOM 128 C MET A 9 -3.440 14.518 2.410 1.00 0.00 C ATOM 129 O MET A 9 -2.317 14.958 2.648 1.00 0.00 O ATOM 130 CB MET A 9 -3.673 12.803 0.638 1.00 0.00 C ATOM 131 CG MET A 9 -4.225 12.417 -0.728 1.00 0.00 C ATOM 132 SD MET A 9 -5.977 12.821 -0.926 1.00 0.00 S ATOM 133 CE MET A 9 -6.691 11.994 0.490 1.00 0.00 C ATOM 0 H MET A 9 -2.296 14.782 -0.243 1.00 0.00 H new ATOM 0 HA MET A 9 -4.939 14.503 0.941 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.607 12.578 0.663 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.148 12.182 1.398 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.651 12.926 -1.502 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.086 11.347 -0.880 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.751 11.813 0.309 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.183 11.043 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.576 12.621 1.374 1.00 0.00 H new ATOM 143 N HIS A 10 -4.347 14.222 3.329 1.00 0.00 N ATOM 144 CA HIS A 10 -4.172 14.436 4.758 1.00 0.00 C ATOM 145 C HIS A 10 -3.118 13.509 5.303 1.00 0.00 C ATOM 146 O HIS A 10 -3.425 12.329 5.547 1.00 0.00 O ATOM 147 CB HIS A 10 -5.474 14.133 5.524 1.00 0.00 C ATOM 148 CG HIS A 10 -6.690 14.861 5.077 1.00 0.00 C ATOM 149 ND1 HIS A 10 -7.065 16.079 5.564 1.00 0.00 N ATOM 150 CD2 HIS A 10 -7.631 14.509 4.180 1.00 0.00 C ATOM 151 CE1 HIS A 10 -8.183 16.450 4.986 1.00 0.00 C ATOM 152 NE2 HIS A 10 -8.549 15.519 4.137 1.00 0.00 N ATOM 0 H HIS A 10 -5.252 13.814 3.094 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.884 15.479 4.891 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.671 13.063 5.453 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.310 14.357 6.578 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.655 13.597 3.602 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.715 17.370 5.178 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.379 15.545 3.545 1.00 0.00 H new ATOM 161 N GLY A 11 -1.896 14.024 5.431 1.00 0.00 N ATOM 162 CA GLY A 11 -0.760 13.300 6.006 1.00 0.00 C ATOM 163 C GLY A 11 -0.573 11.900 5.454 1.00 0.00 C ATOM 164 O GLY A 11 0.030 11.718 4.392 1.00 0.00 O ATOM 0 H GLY A 11 -1.662 14.971 5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.150 13.873 5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -0.892 13.238 7.086 1.00 0.00 H new ATOM 168 N SER A 12 -1.139 10.930 6.175 1.00 0.00 N ATOM 169 CA SER A 12 -1.062 9.520 5.847 1.00 0.00 C ATOM 170 C SER A 12 -1.670 9.229 4.459 1.00 0.00 C ATOM 171 O SER A 12 -1.181 8.391 3.736 1.00 0.00 O ATOM 172 CB SER A 12 -1.795 8.712 6.922 1.00 0.00 C ATOM 173 OG SER A 12 -1.352 9.080 8.235 1.00 0.00 O ATOM 0 H SER A 12 -1.675 11.116 7.023 1.00 0.00 H new ATOM 0 HA SER A 12 -0.012 9.229 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.869 8.878 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.623 7.648 6.762 1.00 0.00 H new ATOM 0 HG SER A 12 -1.836 8.552 8.904 1.00 0.00 H new ATOM 179 N GLY A 13 -2.742 9.924 4.113 1.00 0.00 N ATOM 180 CA GLY A 13 -3.350 9.754 2.803 1.00 0.00 C ATOM 181 C GLY A 13 -4.236 8.520 2.669 1.00 0.00 C ATOM 182 O GLY A 13 -4.475 8.046 1.562 1.00 0.00 O ATOM 0 H GLY A 13 -3.205 10.605 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.945 10.639 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.560 9.700 2.054 1.00 0.00 H new ATOM 186 N GLU A 14 -4.747 8.028 3.785 1.00 0.00 N ATOM 187 CA GLU A 14 -5.647 6.860 3.801 1.00 0.00 C ATOM 188 C GLU A 14 -6.955 7.158 3.050 1.00 0.00 C ATOM 189 O GLU A 14 -7.615 6.257 2.527 1.00 0.00 O ATOM 190 CB GLU A 14 -5.975 6.443 5.245 1.00 0.00 C ATOM 191 CG GLU A 14 -6.787 5.157 5.319 1.00 0.00 C ATOM 192 CD GLU A 14 -7.302 4.835 6.686 1.00 0.00 C ATOM 193 OE1 GLU A 14 -8.332 5.414 7.117 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.717 3.983 7.355 1.00 0.00 O ATOM 0 H GLU A 14 -4.558 8.417 4.709 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.129 6.043 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.046 6.313 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.529 7.245 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.631 5.234 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.168 4.329 4.972 1.00 0.00 H new ATOM 201 N ASN A 15 -7.312 8.424 2.968 1.00 0.00 N ATOM 202 CA ASN A 15 -8.563 8.807 2.336 1.00 0.00 C ATOM 203 C ASN A 15 -8.391 8.955 0.811 1.00 0.00 C ATOM 204 O ASN A 15 -9.296 9.406 0.106 1.00 0.00 O ATOM 205 CB ASN A 15 -9.081 10.113 2.970 1.00 0.00 C ATOM 206 CG ASN A 15 -10.465 10.510 2.550 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.323 9.557 2.393 1.00 0.00 O flip ATOM 208 ND2 ASN A 15 -10.771 11.687 2.424 1.00 0.00 N flip ATOM 0 H ASN A 15 -6.759 9.202 3.328 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.299 8.021 2.501 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.062 10.006 4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.394 10.921 2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.067 12.414 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.730 11.942 2.188 1.00 0.00 H new ATOM 215 N TYR A 16 -7.237 8.564 0.296 1.00 0.00 N ATOM 216 CA TYR A 16 -6.994 8.680 -1.125 1.00 0.00 C ATOM 217 C TYR A 16 -7.736 7.588 -1.896 1.00 0.00 C ATOM 218 O TYR A 16 -7.325 6.412 -1.920 1.00 0.00 O ATOM 219 CB TYR A 16 -5.494 8.658 -1.454 1.00 0.00 C ATOM 220 CG TYR A 16 -5.205 8.815 -2.932 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.231 10.064 -3.536 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.938 7.709 -3.726 1.00 0.00 C ATOM 223 CE1 TYR A 16 -4.993 10.207 -4.886 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.704 7.838 -5.072 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.733 9.095 -5.652 1.00 0.00 C ATOM 226 OH TYR A 16 -4.512 9.235 -7.010 1.00 0.00 O ATOM 0 H TYR A 16 -6.466 8.169 0.835 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.381 9.649 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.997 9.458 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.066 7.719 -1.104 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.441 10.939 -2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.914 6.728 -3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.011 11.187 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.499 6.966 -5.675 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.650 9.678 -7.157 1.00 0.00 H new ATOM 236 N ASP A 17 -8.807 7.975 -2.538 1.00 0.00 N ATOM 237 CA ASP A 17 -9.610 7.050 -3.305 1.00 0.00 C ATOM 238 C ASP A 17 -9.330 7.235 -4.790 1.00 0.00 C ATOM 239 O ASP A 17 -9.994 6.649 -5.635 1.00 0.00 O ATOM 240 CB ASP A 17 -11.121 7.229 -3.014 1.00 0.00 C ATOM 241 CG ASP A 17 -11.734 8.459 -3.654 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.568 9.577 -3.114 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.411 8.315 -4.700 1.00 0.00 O ATOM 0 H ASP A 17 -9.149 8.936 -2.546 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.338 6.037 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.655 6.346 -3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.268 7.282 -1.935 1.00 0.00 H new ATOM 248 N GLY A 18 -8.281 7.982 -5.090 1.00 0.00 N ATOM 249 CA GLY A 18 -7.911 8.286 -6.464 1.00 0.00 C ATOM 250 C GLY A 18 -7.421 7.075 -7.256 1.00 0.00 C ATOM 251 O GLY A 18 -7.250 5.975 -6.707 1.00 0.00 O ATOM 0 H GLY A 18 -7.663 8.394 -4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.772 8.718 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.129 9.046 -6.460 1.00 0.00 H new ATOM 255 N LYS A 19 -7.178 7.302 -8.525 1.00 0.00 N ATOM 256 CA LYS A 19 -6.899 6.264 -9.495 1.00 0.00 C ATOM 257 C LYS A 19 -5.423 6.199 -9.932 1.00 0.00 C ATOM 258 O LYS A 19 -5.133 5.687 -11.022 1.00 0.00 O ATOM 259 CB LYS A 19 -7.759 6.539 -10.728 1.00 0.00 C ATOM 260 CG LYS A 19 -9.231 6.701 -10.418 1.00 0.00 C ATOM 261 CD LYS A 19 -10.033 6.974 -11.676 1.00 0.00 C ATOM 262 CE LYS A 19 -11.514 7.100 -11.367 1.00 0.00 C ATOM 263 NZ LYS A 19 -12.303 7.411 -12.570 1.00 0.00 N ATOM 0 H LYS A 19 -7.168 8.240 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.126 5.307 -9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.398 7.443 -11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.634 5.721 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.604 5.798 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.368 7.520 -9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.677 7.891 -12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.876 6.168 -12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.873 6.169 -10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.664 7.882 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.308 7.489 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.978 8.312 -12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.181 6.652 -13.271 1.00 0.00 H new ATOM 277 N ILE A 20 -4.492 6.681 -9.125 1.00 0.00 N ATOM 278 CA ILE A 20 -3.092 6.581 -9.515 1.00 0.00 C ATOM 279 C ILE A 20 -2.643 5.113 -9.393 1.00 0.00 C ATOM 280 O ILE A 20 -3.017 4.419 -8.447 1.00 0.00 O ATOM 281 CB ILE A 20 -2.165 7.524 -8.688 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.786 7.628 -9.340 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.037 7.041 -7.259 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.152 8.608 -8.665 1.00 0.00 C ATOM 0 H ILE A 20 -4.668 7.131 -8.226 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.003 6.911 -10.550 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.619 8.515 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.322 6.642 -9.341 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.911 7.922 -10.382 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.385 7.716 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.022 7.021 -6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.611 6.038 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.107 8.619 -9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.286 9.606 -8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.312 8.305 -7.630 1.00 0.00 H new ATOM 296 N SER A 21 -1.901 4.646 -10.357 1.00 0.00 N ATOM 297 CA SER A 21 -1.511 3.256 -10.396 1.00 0.00 C ATOM 298 C SER A 21 -0.005 3.076 -10.575 1.00 0.00 C ATOM 299 O SER A 21 0.485 1.978 -10.911 1.00 0.00 O ATOM 300 CB SER A 21 -2.281 2.601 -11.516 1.00 0.00 C ATOM 301 OG SER A 21 -2.261 3.414 -12.697 1.00 0.00 O ATOM 0 H SER A 21 -1.550 5.207 -11.133 1.00 0.00 H new ATOM 0 HA SER A 21 -1.747 2.785 -9.442 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.850 1.624 -11.735 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.312 2.432 -11.204 1.00 0.00 H new ATOM 0 HG SER A 21 -2.765 2.968 -13.410 1.00 0.00 H new ATOM 307 N LYS A 22 0.726 4.128 -10.323 1.00 0.00 N ATOM 308 CA LYS A 22 2.162 4.101 -10.455 1.00 0.00 C ATOM 309 C LYS A 22 2.824 4.520 -9.177 1.00 0.00 C ATOM 310 O LYS A 22 2.292 5.353 -8.451 1.00 0.00 O ATOM 311 CB LYS A 22 2.659 4.941 -11.627 1.00 0.00 C ATOM 312 CG LYS A 22 2.373 4.333 -12.988 1.00 0.00 C ATOM 313 CD LYS A 22 3.043 5.131 -14.084 1.00 0.00 C ATOM 314 CE LYS A 22 2.902 4.457 -15.436 1.00 0.00 C ATOM 315 NZ LYS A 22 3.508 3.104 -15.451 1.00 0.00 N ATOM 0 H LYS A 22 0.347 5.026 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 22 2.439 3.069 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.196 5.927 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.734 5.088 -11.525 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.728 3.303 -13.013 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.297 4.303 -13.159 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.605 6.128 -14.127 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.100 5.257 -13.849 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.846 4.384 -15.695 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.376 5.074 -16.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.806 2.868 -16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.335 3.087 -14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.809 2.407 -15.124 1.00 0.00 H new ATOM 329 N THR A 23 3.999 3.986 -8.922 1.00 0.00 N ATOM 330 CA THR A 23 4.676 4.214 -7.676 1.00 0.00 C ATOM 331 C THR A 23 5.530 5.482 -7.787 1.00 0.00 C ATOM 332 O THR A 23 5.416 6.211 -8.786 1.00 0.00 O ATOM 333 CB THR A 23 5.522 2.982 -7.345 1.00 0.00 C ATOM 334 OG1 THR A 23 6.407 2.734 -8.433 1.00 0.00 O ATOM 335 CG2 THR A 23 4.624 1.760 -7.140 1.00 0.00 C ATOM 0 H THR A 23 4.505 3.385 -9.573 1.00 0.00 H new ATOM 0 HA THR A 23 3.962 4.366 -6.867 1.00 0.00 H new ATOM 0 HB THR A 23 6.083 3.164 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.283 3.128 -8.238 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.239 0.891 -6.905 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.934 1.949 -6.317 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.058 1.568 -8.051 1.00 0.00 H new ATOM 343 N MET A 24 6.365 5.767 -6.802 1.00 0.00 N ATOM 344 CA MET A 24 7.164 6.973 -6.810 1.00 0.00 C ATOM 345 C MET A 24 8.189 7.009 -7.949 1.00 0.00 C ATOM 346 O MET A 24 8.566 8.080 -8.405 1.00 0.00 O ATOM 347 CB MET A 24 7.783 7.268 -5.422 1.00 0.00 C ATOM 348 CG MET A 24 8.737 6.211 -4.832 1.00 0.00 C ATOM 349 SD MET A 24 10.326 6.038 -5.690 1.00 0.00 S ATOM 350 CE MET A 24 11.026 7.675 -5.481 1.00 0.00 C ATOM 0 H MET A 24 6.505 5.174 -5.984 1.00 0.00 H new ATOM 0 HA MET A 24 6.479 7.795 -7.021 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.325 8.211 -5.489 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.968 7.418 -4.714 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.931 6.462 -3.789 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.232 5.245 -4.839 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.097 7.641 -5.680 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.550 8.366 -6.177 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.857 8.015 -4.459 1.00 0.00 H new ATOM 360 N SER A 25 8.622 5.850 -8.420 1.00 0.00 N ATOM 361 CA SER A 25 9.513 5.808 -9.538 1.00 0.00 C ATOM 362 C SER A 25 8.718 5.677 -10.842 1.00 0.00 C ATOM 363 O SER A 25 9.265 5.777 -11.942 1.00 0.00 O ATOM 364 CB SER A 25 10.511 4.674 -9.379 1.00 0.00 C ATOM 365 OG SER A 25 9.859 3.427 -9.223 1.00 0.00 O ATOM 0 H SER A 25 8.366 4.939 -8.040 1.00 0.00 H new ATOM 0 HA SER A 25 10.076 6.740 -9.579 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.164 4.638 -10.251 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.145 4.865 -8.513 1.00 0.00 H new ATOM 0 HG SER A 25 9.188 3.495 -8.512 1.00 0.00 H new ATOM 371 N GLY A 26 7.424 5.463 -10.700 1.00 0.00 N ATOM 372 CA GLY A 26 6.553 5.339 -11.832 1.00 0.00 C ATOM 373 C GLY A 26 6.364 3.916 -12.274 1.00 0.00 C ATOM 374 O GLY A 26 5.923 3.662 -13.407 1.00 0.00 O ATOM 0 H GLY A 26 6.958 5.372 -9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.582 5.769 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.958 5.920 -12.660 1.00 0.00 H new ATOM 378 N LEU A 27 6.687 2.989 -11.405 1.00 0.00 N ATOM 379 CA LEU A 27 6.476 1.597 -11.679 1.00 0.00 C ATOM 380 C LEU A 27 5.005 1.307 -11.592 1.00 0.00 C ATOM 381 O LEU A 27 4.255 2.073 -11.001 1.00 0.00 O ATOM 382 CB LEU A 27 7.218 0.733 -10.676 1.00 0.00 C ATOM 383 CG LEU A 27 8.749 0.785 -10.718 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.350 -0.023 -9.587 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.256 0.255 -12.033 1.00 0.00 C ATOM 0 H LEU A 27 7.101 3.182 -10.493 1.00 0.00 H new ATOM 0 HA LEU A 27 6.852 1.369 -12.676 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.896 1.021 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.909 -0.302 -10.825 1.00 0.00 H new ATOM 0 HG LEU A 27 9.050 1.827 -10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.437 0.030 -9.640 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.013 0.381 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.033 -1.062 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.345 0.299 -12.047 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.933 -0.778 -12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.858 0.861 -12.847 1.00 0.00 H new ATOM 397 N GLU A 28 4.596 0.234 -12.154 1.00 0.00 N ATOM 398 CA GLU A 28 3.211 -0.113 -12.146 1.00 0.00 C ATOM 399 C GLU A 28 2.906 -0.921 -10.910 1.00 0.00 C ATOM 400 O GLU A 28 3.682 -1.825 -10.527 1.00 0.00 O ATOM 401 CB GLU A 28 2.823 -0.873 -13.413 1.00 0.00 C ATOM 402 CG GLU A 28 1.341 -1.184 -13.509 1.00 0.00 C ATOM 403 CD GLU A 28 0.977 -1.888 -14.777 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.005 -3.128 -14.809 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.633 -1.212 -15.769 1.00 0.00 O ATOM 0 H GLU A 28 5.202 -0.432 -12.633 1.00 0.00 H new ATOM 0 HA GLU A 28 2.617 0.801 -12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.119 -0.286 -14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.384 -1.807 -13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.048 -1.801 -12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.774 -0.255 -13.439 1.00 0.00 H new ATOM 412 N CYS A 29 1.838 -0.578 -10.263 1.00 0.00 N ATOM 413 CA CYS A 29 1.426 -1.283 -9.097 1.00 0.00 C ATOM 414 C CYS A 29 0.711 -2.565 -9.462 1.00 0.00 C ATOM 415 O CYS A 29 0.153 -2.707 -10.559 1.00 0.00 O ATOM 416 CB CYS A 29 0.561 -0.410 -8.187 1.00 0.00 C ATOM 417 SG CYS A 29 -0.169 -1.286 -6.757 1.00 0.00 S ATOM 0 H CYS A 29 1.230 0.197 -10.529 1.00 0.00 H new ATOM 0 HA CYS A 29 2.325 -1.545 -8.539 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.166 0.418 -7.818 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.244 0.023 -8.780 1.00 0.00 H new ATOM 422 N GLN A 30 0.767 -3.473 -8.554 1.00 0.00 N ATOM 423 CA GLN A 30 0.146 -4.750 -8.641 1.00 0.00 C ATOM 424 C GLN A 30 -1.245 -4.668 -8.018 1.00 0.00 C ATOM 425 O GLN A 30 -1.404 -4.131 -6.928 1.00 0.00 O ATOM 426 CB GLN A 30 0.999 -5.756 -7.879 1.00 0.00 C ATOM 427 CG GLN A 30 0.351 -7.111 -7.694 1.00 0.00 C ATOM 428 CD GLN A 30 1.146 -8.011 -6.794 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.369 -7.933 -6.727 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.470 -8.881 -6.103 1.00 0.00 N ATOM 0 H GLN A 30 1.276 -3.339 -7.680 1.00 0.00 H new ATOM 0 HA GLN A 30 0.055 -5.062 -9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.943 -5.887 -8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.237 -5.344 -6.899 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.648 -6.979 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.232 -7.589 -8.666 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.546 -8.918 -6.183 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.956 -9.527 -5.481 1.00 0.00 H new ATOM 439 N ALA A 31 -2.230 -5.199 -8.716 1.00 0.00 N ATOM 440 CA ALA A 31 -3.603 -5.207 -8.245 1.00 0.00 C ATOM 441 C ALA A 31 -3.707 -5.922 -6.901 1.00 0.00 C ATOM 442 O ALA A 31 -3.204 -7.044 -6.732 1.00 0.00 O ATOM 443 CB ALA A 31 -4.503 -5.872 -9.278 1.00 0.00 C ATOM 0 H ALA A 31 -2.101 -5.638 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.931 -4.177 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.531 -5.874 -8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.449 -5.320 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.174 -6.898 -9.441 1.00 0.00 H new ATOM 449 N TRP A 32 -4.359 -5.266 -5.954 1.00 0.00 N ATOM 450 CA TRP A 32 -4.495 -5.747 -4.589 1.00 0.00 C ATOM 451 C TRP A 32 -5.206 -7.094 -4.510 1.00 0.00 C ATOM 452 O TRP A 32 -4.972 -7.873 -3.584 1.00 0.00 O ATOM 453 CB TRP A 32 -5.264 -4.743 -3.750 1.00 0.00 C ATOM 454 CG TRP A 32 -4.647 -3.384 -3.668 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.039 -2.275 -4.346 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.538 -2.983 -2.851 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.264 -1.213 -4.003 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.323 -1.617 -3.090 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.709 -3.643 -1.942 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.313 -0.892 -2.448 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.713 -2.921 -1.312 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.523 -1.563 -1.568 1.00 0.00 C ATOM 0 H TRP A 32 -4.816 -4.369 -6.116 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.483 -5.873 -4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.270 -4.645 -4.159 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.368 -5.140 -2.740 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.851 -2.242 -5.057 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.366 -0.265 -4.367 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.843 -4.695 -1.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.167 0.160 -2.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.067 -3.420 -0.605 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.732 -1.034 -1.057 1.00 0.00 H new ATOM 473 N ASP A 33 -6.037 -7.369 -5.482 1.00 0.00 N ATOM 474 CA ASP A 33 -6.833 -8.589 -5.517 1.00 0.00 C ATOM 475 C ASP A 33 -6.071 -9.731 -6.194 1.00 0.00 C ATOM 476 O ASP A 33 -6.609 -10.830 -6.376 1.00 0.00 O ATOM 477 CB ASP A 33 -8.141 -8.334 -6.265 1.00 0.00 C ATOM 478 CG ASP A 33 -7.920 -8.040 -7.736 1.00 0.00 C ATOM 479 OD1 ASP A 33 -7.436 -6.945 -8.069 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.247 -8.901 -8.582 1.00 0.00 O ATOM 0 H ASP A 33 -6.188 -6.754 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.046 -8.881 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.789 -9.205 -6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.662 -7.495 -5.804 1.00 0.00 H new ATOM 485 N SER A 34 -4.838 -9.472 -6.560 1.00 0.00 N ATOM 486 CA SER A 34 -4.015 -10.447 -7.196 1.00 0.00 C ATOM 487 C SER A 34 -2.794 -10.727 -6.319 1.00 0.00 C ATOM 488 O SER A 34 -2.093 -9.805 -5.909 1.00 0.00 O ATOM 489 CB SER A 34 -3.592 -9.927 -8.578 1.00 0.00 C ATOM 490 OG SER A 34 -2.815 -10.876 -9.289 1.00 0.00 O ATOM 0 H SER A 34 -4.384 -8.570 -6.419 1.00 0.00 H new ATOM 0 HA SER A 34 -4.566 -11.378 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.480 -9.678 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.020 -9.007 -8.459 1.00 0.00 H new ATOM 0 HG SER A 34 -1.866 -10.645 -9.213 1.00 0.00 H new ATOM 496 N GLN A 35 -2.540 -11.992 -6.032 1.00 0.00 N ATOM 497 CA GLN A 35 -1.410 -12.404 -5.193 1.00 0.00 C ATOM 498 C GLN A 35 -0.167 -12.648 -6.042 1.00 0.00 C ATOM 499 O GLN A 35 0.830 -13.195 -5.573 1.00 0.00 O ATOM 500 CB GLN A 35 -1.743 -13.680 -4.423 1.00 0.00 C ATOM 501 CG GLN A 35 -2.916 -13.565 -3.480 1.00 0.00 C ATOM 502 CD GLN A 35 -2.613 -12.651 -2.337 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.462 -12.518 -1.936 1.00 0.00 O ATOM 504 NE2 GLN A 35 -3.608 -12.017 -1.799 1.00 0.00 N ATOM 0 H GLN A 35 -3.107 -12.769 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.214 -11.597 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.948 -14.476 -5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.865 -13.982 -3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.785 -13.194 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.176 -14.553 -3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.553 -12.152 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.446 -11.383 -1.016 1.00 0.00 H new ATOM 513 N SER A 36 -0.221 -12.230 -7.264 1.00 0.00 N ATOM 514 CA SER A 36 0.856 -12.395 -8.162 1.00 0.00 C ATOM 515 C SER A 36 1.192 -11.041 -8.745 1.00 0.00 C ATOM 516 O SER A 36 0.291 -10.271 -9.075 1.00 0.00 O ATOM 517 CB SER A 36 0.498 -13.427 -9.239 1.00 0.00 C ATOM 518 OG SER A 36 -0.793 -13.176 -9.790 1.00 0.00 O ATOM 0 H SER A 36 -1.031 -11.758 -7.665 1.00 0.00 H new ATOM 0 HA SER A 36 1.736 -12.781 -7.648 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.245 -13.402 -10.032 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.524 -14.428 -8.809 1.00 0.00 H new ATOM 0 HG SER A 36 -0.993 -13.848 -10.474 1.00 0.00 H new ATOM 524 N PRO A 37 2.475 -10.692 -8.799 1.00 0.00 N ATOM 525 CA PRO A 37 3.587 -11.600 -8.411 1.00 0.00 C ATOM 526 C PRO A 37 3.786 -11.673 -6.891 1.00 0.00 C ATOM 527 O PRO A 37 4.194 -12.700 -6.344 1.00 0.00 O ATOM 528 CB PRO A 37 4.795 -10.897 -9.026 1.00 0.00 C ATOM 529 CG PRO A 37 4.382 -9.477 -9.041 1.00 0.00 C ATOM 530 CD PRO A 37 2.988 -9.519 -9.524 1.00 0.00 C ATOM 0 HA PRO A 37 3.414 -12.625 -8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.696 -11.049 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.009 -11.266 -10.029 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.448 -9.031 -8.049 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.016 -8.883 -9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.439 -8.610 -9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.930 -9.644 -10.605 1.00 0.00 H new ATOM 538 N HIS A 38 3.479 -10.587 -6.228 1.00 0.00 N ATOM 539 CA HIS A 38 3.736 -10.462 -4.817 1.00 0.00 C ATOM 540 C HIS A 38 2.601 -10.927 -3.944 1.00 0.00 C ATOM 541 O HIS A 38 1.480 -10.356 -3.964 1.00 0.00 O ATOM 542 CB HIS A 38 4.152 -9.040 -4.470 1.00 0.00 C ATOM 543 CG HIS A 38 5.478 -8.685 -5.037 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.636 -7.922 -6.160 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.715 -9.062 -4.666 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.906 -7.863 -6.461 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.585 -8.546 -5.567 1.00 0.00 N ATOM 0 H HIS A 38 3.045 -9.766 -6.651 1.00 0.00 H new ATOM 0 HA HIS A 38 4.563 -11.138 -4.601 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.402 -8.343 -4.843 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.181 -8.927 -3.386 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.883 -7.471 -6.680 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.968 -9.666 -3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.328 -7.339 -7.306 1.00 0.00 H new ATOM 556 N ALA A 39 2.883 -11.958 -3.179 1.00 0.00 N ATOM 557 CA ALA A 39 1.950 -12.493 -2.229 1.00 0.00 C ATOM 558 C ALA A 39 1.804 -11.508 -1.087 1.00 0.00 C ATOM 559 O ALA A 39 2.795 -10.958 -0.584 1.00 0.00 O ATOM 560 CB ALA A 39 2.421 -13.842 -1.722 1.00 0.00 C ATOM 0 H ALA A 39 3.777 -12.449 -3.204 1.00 0.00 H new ATOM 0 HA ALA A 39 0.982 -12.642 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.701 -14.232 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.509 -14.535 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.392 -13.731 -1.239 1.00 0.00 H new ATOM 566 N HIS A 40 0.590 -11.243 -0.714 1.00 0.00 N ATOM 567 CA HIS A 40 0.318 -10.256 0.315 1.00 0.00 C ATOM 568 C HIS A 40 -1.026 -10.526 0.959 1.00 0.00 C ATOM 569 O HIS A 40 -1.962 -10.924 0.283 1.00 0.00 O ATOM 570 CB HIS A 40 0.335 -8.843 -0.298 1.00 0.00 C ATOM 571 CG HIS A 40 -0.743 -8.587 -1.311 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.723 -9.077 -2.582 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.908 -7.940 -1.185 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.841 -8.747 -3.177 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.571 -8.056 -2.353 1.00 0.00 N ATOM 0 H HIS A 40 -0.240 -11.692 -1.102 1.00 0.00 H new ATOM 0 HA HIS A 40 1.091 -10.322 1.080 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.241 -8.112 0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.304 -8.677 -0.769 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.038 -9.612 -3.001 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.255 -7.418 -0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.113 -9.007 -4.189 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.492 -7.667 -2.556 1.00 0.00 H new ATOM 584 N GLY A 41 -1.162 -10.197 2.208 1.00 0.00 N ATOM 585 CA GLY A 41 -2.373 -10.529 2.905 1.00 0.00 C ATOM 586 C GLY A 41 -3.467 -9.509 2.766 1.00 0.00 C ATOM 587 O GLY A 41 -4.275 -9.366 3.658 1.00 0.00 O ATOM 0 H GLY A 41 -0.461 -9.705 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.738 -11.488 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.145 -10.658 3.963 1.00 0.00 H new ATOM 591 N TYR A 42 -3.535 -8.806 1.649 1.00 0.00 N ATOM 592 CA TYR A 42 -4.591 -7.841 1.516 1.00 0.00 C ATOM 593 C TYR A 42 -5.665 -8.323 0.642 1.00 0.00 C ATOM 594 O TYR A 42 -5.685 -8.054 -0.556 1.00 0.00 O ATOM 595 CB TYR A 42 -4.158 -6.422 1.154 1.00 0.00 C ATOM 596 CG TYR A 42 -3.448 -5.716 2.255 1.00 0.00 C ATOM 597 CD1 TYR A 42 -2.082 -5.820 2.418 1.00 0.00 C ATOM 598 CD2 TYR A 42 -4.165 -4.936 3.152 1.00 0.00 C ATOM 599 CE1 TYR A 42 -1.463 -5.161 3.444 1.00 0.00 C ATOM 600 CE2 TYR A 42 -3.545 -4.284 4.176 1.00 0.00 C ATOM 601 CZ TYR A 42 -2.211 -4.398 4.317 1.00 0.00 C ATOM 602 OH TYR A 42 -1.610 -3.755 5.331 1.00 0.00 O ATOM 0 H TYR A 42 -2.897 -8.884 0.857 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.982 -7.744 2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.508 -6.461 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.038 -5.844 0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.501 -6.422 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.235 -4.844 3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.393 -5.237 3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.118 -3.683 4.867 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.699 -4.283 6.152 1.00 0.00 H new ATOM 612 N ILE A 43 -6.478 -9.143 1.214 1.00 0.00 N ATOM 613 CA ILE A 43 -7.674 -9.573 0.560 1.00 0.00 C ATOM 614 C ILE A 43 -8.702 -8.427 0.726 1.00 0.00 C ATOM 615 O ILE A 43 -8.999 -8.015 1.856 1.00 0.00 O ATOM 616 CB ILE A 43 -8.238 -10.928 1.167 1.00 0.00 C ATOM 617 CG1 ILE A 43 -7.261 -12.123 0.973 1.00 0.00 C ATOM 618 CG2 ILE A 43 -9.589 -11.283 0.565 1.00 0.00 C ATOM 619 CD1 ILE A 43 -6.003 -12.101 1.822 1.00 0.00 C ATOM 0 H ILE A 43 -6.337 -9.535 2.145 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.472 -9.781 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.351 -10.752 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.801 -13.046 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.967 -12.159 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.948 -12.215 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.302 -10.486 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.487 -11.403 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.400 -12.982 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.428 -11.202 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.276 -12.103 2.877 1.00 0.00 H new ATOM 631 N PRO A 44 -9.283 -7.899 -0.372 1.00 0.00 N ATOM 632 CA PRO A 44 -10.186 -6.735 -0.301 1.00 0.00 C ATOM 633 C PRO A 44 -11.548 -7.067 0.294 1.00 0.00 C ATOM 634 O PRO A 44 -12.398 -6.191 0.464 1.00 0.00 O ATOM 635 CB PRO A 44 -10.328 -6.264 -1.754 1.00 0.00 C ATOM 636 CG PRO A 44 -9.421 -7.135 -2.577 1.00 0.00 C ATOM 637 CD PRO A 44 -9.093 -8.354 -1.758 1.00 0.00 C ATOM 0 HA PRO A 44 -9.777 -5.970 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.361 -6.352 -2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.050 -5.214 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.907 -7.420 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.511 -6.597 -2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.751 -9.189 -2.000 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.072 -8.692 -1.933 1.00 0.00 H new ATOM 645 N SER A 45 -11.750 -8.322 0.589 1.00 0.00 N ATOM 646 CA SER A 45 -12.951 -8.781 1.209 1.00 0.00 C ATOM 647 C SER A 45 -12.817 -8.655 2.732 1.00 0.00 C ATOM 648 O SER A 45 -13.813 -8.625 3.460 1.00 0.00 O ATOM 649 CB SER A 45 -13.166 -10.237 0.820 1.00 0.00 C ATOM 650 OG SER A 45 -12.993 -10.393 -0.579 1.00 0.00 O ATOM 0 H SER A 45 -11.072 -9.061 0.401 1.00 0.00 H new ATOM 0 HA SER A 45 -13.802 -8.184 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.462 -10.873 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.167 -10.556 1.109 1.00 0.00 H new ATOM 0 HG SER A 45 -13.131 -11.332 -0.823 1.00 0.00 H new ATOM 656 N LYS A 46 -11.579 -8.585 3.220 1.00 0.00 N ATOM 657 CA LYS A 46 -11.357 -8.502 4.608 1.00 0.00 C ATOM 658 C LYS A 46 -11.001 -7.074 5.031 1.00 0.00 C ATOM 659 O LYS A 46 -11.309 -6.665 6.146 1.00 0.00 O ATOM 660 CB LYS A 46 -10.331 -9.534 5.051 1.00 0.00 C ATOM 661 CG LYS A 46 -8.897 -9.284 4.635 1.00 0.00 C ATOM 662 CD LYS A 46 -7.965 -10.401 5.100 1.00 0.00 C ATOM 663 CE LYS A 46 -8.004 -10.587 6.620 1.00 0.00 C ATOM 664 NZ LYS A 46 -7.113 -11.664 7.067 1.00 0.00 N ATOM 0 H LYS A 46 -10.733 -8.586 2.650 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.285 -8.744 5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.364 -9.602 6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.635 -10.506 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.844 -9.196 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.559 -8.334 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.247 -11.335 4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.945 -10.175 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.717 -9.655 7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.025 -10.809 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.171 -11.755 8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.401 -12.560 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.135 -11.441 6.793 1.00 0.00 H new ATOM 678 N PHE A 47 -10.360 -6.317 4.137 1.00 0.00 N ATOM 679 CA PHE A 47 -10.095 -4.893 4.400 1.00 0.00 C ATOM 680 C PHE A 47 -10.724 -4.069 3.254 1.00 0.00 C ATOM 681 O PHE A 47 -10.023 -3.635 2.338 1.00 0.00 O ATOM 682 CB PHE A 47 -8.582 -4.556 4.462 1.00 0.00 C ATOM 683 CG PHE A 47 -7.689 -5.565 5.161 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.597 -5.643 6.547 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.916 -6.427 4.411 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.760 -6.559 7.140 1.00 0.00 C ATOM 687 CE2 PHE A 47 -6.082 -7.340 5.015 1.00 0.00 C ATOM 688 CZ PHE A 47 -6.004 -7.405 6.378 1.00 0.00 C ATOM 0 H PHE A 47 -10.018 -6.655 3.238 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.524 -4.653 5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.219 -4.429 3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.467 -3.595 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.187 -4.979 7.162 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.966 -6.385 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.700 -6.610 8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.487 -8.008 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.348 -8.121 6.851 1.00 0.00 H new ATOM 698 N PRO A 48 -12.054 -3.911 3.237 1.00 0.00 N ATOM 699 CA PRO A 48 -12.741 -3.206 2.147 1.00 0.00 C ATOM 700 C PRO A 48 -12.659 -1.678 2.275 1.00 0.00 C ATOM 701 O PRO A 48 -12.424 -0.960 1.298 1.00 0.00 O ATOM 702 CB PRO A 48 -14.185 -3.675 2.312 1.00 0.00 C ATOM 703 CG PRO A 48 -14.335 -3.898 3.776 1.00 0.00 C ATOM 704 CD PRO A 48 -13.009 -4.417 4.254 1.00 0.00 C ATOM 0 HA PRO A 48 -12.299 -3.423 1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.890 -2.927 1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.373 -4.589 1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.598 -2.972 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.131 -4.613 3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.768 -4.047 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.999 -5.506 4.308 1.00 0.00 H new ATOM 712 N ASN A 49 -12.786 -1.215 3.504 1.00 0.00 N ATOM 713 CA ASN A 49 -12.876 0.201 3.863 1.00 0.00 C ATOM 714 C ASN A 49 -11.594 0.995 3.634 1.00 0.00 C ATOM 715 O ASN A 49 -11.535 2.174 3.955 1.00 0.00 O ATOM 716 CB ASN A 49 -13.323 0.327 5.316 1.00 0.00 C ATOM 717 CG ASN A 49 -12.413 -0.413 6.280 1.00 0.00 C ATOM 718 OD1 ASN A 49 -12.612 -1.601 6.520 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.442 0.264 6.851 1.00 0.00 N ATOM 0 H ASN A 49 -12.832 -1.832 4.315 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.612 0.641 3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.355 1.381 5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.338 -0.059 5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.823 -0.196 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.307 1.250 6.627 1.00 0.00 H new ATOM 726 N LYS A 50 -10.578 0.367 3.093 1.00 0.00 N ATOM 727 CA LYS A 50 -9.356 1.051 2.763 1.00 0.00 C ATOM 728 C LYS A 50 -9.361 1.384 1.272 1.00 0.00 C ATOM 729 O LYS A 50 -8.340 1.775 0.692 1.00 0.00 O ATOM 730 CB LYS A 50 -8.176 0.160 3.108 1.00 0.00 C ATOM 731 CG LYS A 50 -8.101 -0.245 4.579 1.00 0.00 C ATOM 732 CD LYS A 50 -8.063 0.969 5.503 1.00 0.00 C ATOM 733 CE LYS A 50 -7.920 0.546 6.950 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.905 1.695 7.872 1.00 0.00 N ATOM 0 H LYS A 50 -10.577 -0.628 2.871 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.273 1.977 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.226 -0.742 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.255 0.677 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.962 -0.865 4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.212 -0.854 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.231 1.616 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.975 1.553 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.743 -0.118 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.999 -0.024 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.462 1.414 8.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.362 2.474 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.880 2.010 8.051 1.00 0.00 H new ATOM 748 N ASN A 51 -10.547 1.201 0.678 1.00 0.00 N ATOM 749 CA ASN A 51 -10.835 1.401 -0.748 1.00 0.00 C ATOM 750 C ASN A 51 -9.914 0.542 -1.561 1.00 0.00 C ATOM 751 O ASN A 51 -9.498 0.927 -2.642 1.00 0.00 O ATOM 752 CB ASN A 51 -10.678 2.860 -1.204 1.00 0.00 C ATOM 753 CG ASN A 51 -11.500 3.117 -2.474 1.00 0.00 C ATOM 754 OD1 ASN A 51 -12.588 2.558 -2.644 1.00 0.00 O ATOM 755 ND2 ASN A 51 -10.968 3.874 -3.388 1.00 0.00 N ATOM 0 H ASN A 51 -11.368 0.896 1.201 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.879 1.126 -0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.004 3.532 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.627 3.077 -1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.451 4.019 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.068 4.322 -3.218 1.00 0.00 H new ATOM 762 N LEU A 52 -9.669 -0.664 -1.075 1.00 0.00 N ATOM 763 CA LEU A 52 -8.670 -1.547 -1.642 1.00 0.00 C ATOM 764 C LEU A 52 -9.114 -2.069 -3.017 1.00 0.00 C ATOM 765 O LEU A 52 -9.690 -3.151 -3.133 1.00 0.00 O ATOM 766 CB LEU A 52 -8.416 -2.710 -0.685 1.00 0.00 C ATOM 767 CG LEU A 52 -7.099 -3.438 -0.861 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.953 -2.588 -0.335 1.00 0.00 C ATOM 769 CD2 LEU A 52 -7.133 -4.783 -0.183 1.00 0.00 C ATOM 0 H LEU A 52 -10.161 -1.057 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.745 -0.987 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.466 -2.332 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.225 -3.431 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.938 -3.609 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.013 -3.123 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.916 -1.647 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.108 -2.384 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.176 -5.286 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.319 -4.649 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.929 -5.389 -0.617 1.00 0.00 H new ATOM 781 N LYS A 53 -8.933 -1.244 -4.033 1.00 0.00 N ATOM 782 CA LYS A 53 -9.333 -1.589 -5.388 1.00 0.00 C ATOM 783 C LYS A 53 -8.215 -1.401 -6.352 1.00 0.00 C ATOM 784 O LYS A 53 -7.325 -0.557 -6.138 1.00 0.00 O ATOM 785 CB LYS A 53 -10.524 -0.759 -5.930 1.00 0.00 C ATOM 786 CG LYS A 53 -11.933 -0.958 -5.326 1.00 0.00 C ATOM 787 CD LYS A 53 -12.041 -0.652 -3.853 1.00 0.00 C ATOM 788 CE LYS A 53 -13.484 -0.705 -3.366 1.00 0.00 C ATOM 789 NZ LYS A 53 -14.115 -2.031 -3.557 1.00 0.00 N ATOM 0 H LYS A 53 -8.507 -0.321 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.633 -2.634 -5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.266 0.294 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.597 -0.955 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.637 -0.325 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.241 -1.990 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.441 -1.366 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.628 0.337 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.514 -0.445 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.068 0.048 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.070 -2.023 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.177 -2.243 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.541 -2.760 -3.086 1.00 0.00 H new ATOM 803 N LYS A 54 -8.334 -2.146 -7.445 1.00 0.00 N ATOM 804 CA LYS A 54 -7.429 -2.120 -8.585 1.00 0.00 C ATOM 805 C LYS A 54 -5.968 -2.251 -8.127 1.00 0.00 C ATOM 806 O LYS A 54 -5.657 -3.016 -7.214 1.00 0.00 O ATOM 807 CB LYS A 54 -7.654 -0.812 -9.375 1.00 0.00 C ATOM 808 CG LYS A 54 -9.071 -0.606 -9.913 1.00 0.00 C ATOM 809 CD LYS A 54 -9.417 -1.589 -11.016 1.00 0.00 C ATOM 810 CE LYS A 54 -10.785 -1.284 -11.602 1.00 0.00 C ATOM 811 NZ LYS A 54 -11.118 -2.176 -12.725 1.00 0.00 N ATOM 0 H LYS A 54 -9.097 -2.813 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.638 -2.969 -9.235 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.403 0.030 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.958 -0.790 -10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.786 -0.712 -9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.169 0.411 -10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.662 -1.542 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.404 -2.605 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.542 -1.383 -10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.811 -0.249 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.059 -1.933 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.411 -2.064 -13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.120 -3.163 -12.396 1.00 0.00 H new ATOM 825 N ASN A 55 -5.102 -1.544 -8.793 1.00 0.00 N ATOM 826 CA ASN A 55 -3.692 -1.476 -8.490 1.00 0.00 C ATOM 827 C ASN A 55 -3.396 -0.017 -8.134 1.00 0.00 C ATOM 828 O ASN A 55 -2.343 0.533 -8.436 1.00 0.00 O ATOM 829 CB ASN A 55 -2.894 -1.899 -9.743 1.00 0.00 C ATOM 830 CG ASN A 55 -3.006 -0.912 -10.913 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.028 -0.232 -11.098 1.00 0.00 O ATOM 832 ND2 ASN A 55 -1.978 -0.818 -11.703 1.00 0.00 N ATOM 0 H ASN A 55 -5.365 -0.973 -9.597 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.414 -2.135 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.844 -2.010 -9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.244 -2.878 -10.071 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.000 -0.175 -12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.149 -1.387 -11.531 1.00 0.00 H new ATOM 839 N TYR A 56 -4.352 0.594 -7.496 1.00 0.00 N ATOM 840 CA TYR A 56 -4.279 1.980 -7.149 1.00 0.00 C ATOM 841 C TYR A 56 -3.590 2.163 -5.842 1.00 0.00 C ATOM 842 O TYR A 56 -3.722 1.317 -4.961 1.00 0.00 O ATOM 843 CB TYR A 56 -5.673 2.568 -7.095 1.00 0.00 C ATOM 844 CG TYR A 56 -6.395 2.640 -8.430 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.705 2.610 -9.652 1.00 0.00 C ATOM 846 CD2 TYR A 56 -7.777 2.744 -8.470 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.382 2.685 -10.846 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.455 2.823 -9.668 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.752 2.793 -10.851 1.00 0.00 C ATOM 850 OH TYR A 56 -8.423 2.871 -12.047 1.00 0.00 O ATOM 0 H TYR A 56 -5.214 0.136 -7.199 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.700 2.500 -7.912 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.274 1.975 -6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.610 3.573 -6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.628 2.527 -9.654 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.333 2.764 -7.545 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.838 2.659 -11.779 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.532 2.908 -9.678 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.386 2.942 -11.878 1.00 0.00 H new ATOM 860 N CYS A 57 -2.876 3.267 -5.693 1.00 0.00 N ATOM 861 CA CYS A 57 -2.151 3.506 -4.462 1.00 0.00 C ATOM 862 C CYS A 57 -3.125 3.747 -3.327 1.00 0.00 C ATOM 863 O CYS A 57 -4.020 4.598 -3.414 1.00 0.00 O ATOM 864 CB CYS A 57 -1.197 4.679 -4.583 1.00 0.00 C ATOM 865 SG CYS A 57 -0.017 4.574 -5.969 1.00 0.00 S ATOM 0 H CYS A 57 -2.785 3.999 -6.398 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.555 2.617 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.781 5.593 -4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.635 4.768 -3.653 1.00 0.00 H new ATOM 870 N ARG A 58 -2.963 2.999 -2.284 1.00 0.00 N ATOM 871 CA ARG A 58 -3.847 3.056 -1.155 1.00 0.00 C ATOM 872 C ARG A 58 -2.965 3.198 0.079 1.00 0.00 C ATOM 873 O ARG A 58 -1.751 2.983 -0.003 1.00 0.00 O ATOM 874 CB ARG A 58 -4.600 1.707 -1.042 1.00 0.00 C ATOM 875 CG ARG A 58 -5.219 1.157 -2.322 1.00 0.00 C ATOM 876 CD ARG A 58 -6.677 1.503 -2.560 1.00 0.00 C ATOM 877 NE ARG A 58 -6.946 2.905 -2.841 1.00 0.00 N ATOM 878 CZ ARG A 58 -7.441 3.391 -3.984 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.990 2.580 -4.889 1.00 0.00 N ATOM 880 NH2 ARG A 58 -7.463 4.692 -4.182 1.00 0.00 N ATOM 0 H ARG A 58 -2.206 2.322 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.558 3.876 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.906 0.962 -0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.393 1.821 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.637 1.521 -3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.121 0.071 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.043 0.905 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.251 1.209 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.739 3.576 -2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.036 1.576 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.364 2.963 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.104 5.323 -3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.839 5.069 -5.052 1.00 0.00 H new ATOM 894 N ASN A 59 -3.533 3.578 1.176 1.00 0.00 N ATOM 895 CA ASN A 59 -2.834 3.526 2.445 1.00 0.00 C ATOM 896 C ASN A 59 -3.749 2.760 3.377 1.00 0.00 C ATOM 897 O ASN A 59 -4.618 3.329 4.010 1.00 0.00 O ATOM 898 CB ASN A 59 -2.480 4.928 3.026 1.00 0.00 C ATOM 899 CG ASN A 59 -1.633 4.847 4.308 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.683 3.883 5.045 1.00 0.00 O ATOM 901 ND2 ASN A 59 -0.878 5.869 4.590 1.00 0.00 N ATOM 0 H ASN A 59 -4.488 3.933 1.232 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.866 3.042 2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.938 5.501 2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.401 5.471 3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.316 5.869 5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.848 6.670 3.960 1.00 0.00 H new ATOM 908 N PRO A 60 -3.639 1.435 3.372 1.00 0.00 N ATOM 909 CA PRO A 60 -4.525 0.579 4.143 1.00 0.00 C ATOM 910 C PRO A 60 -4.046 0.337 5.574 1.00 0.00 C ATOM 911 O PRO A 60 -4.840 0.241 6.514 1.00 0.00 O ATOM 912 CB PRO A 60 -4.469 -0.726 3.343 1.00 0.00 C ATOM 913 CG PRO A 60 -3.058 -0.778 2.835 1.00 0.00 C ATOM 914 CD PRO A 60 -2.652 0.651 2.581 1.00 0.00 C ATOM 0 HA PRO A 60 -5.517 1.015 4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.700 -1.588 3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.189 -0.724 2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.398 -1.247 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.994 -1.369 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.630 0.843 2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.698 0.900 1.521 1.00 0.00 H new ATOM 922 N ASP A 61 -2.768 0.252 5.721 1.00 0.00 N ATOM 923 CA ASP A 61 -2.150 -0.138 6.942 1.00 0.00 C ATOM 924 C ASP A 61 -1.658 1.006 7.780 1.00 0.00 C ATOM 925 O ASP A 61 -1.181 0.804 8.909 1.00 0.00 O ATOM 926 CB ASP A 61 -1.064 -1.145 6.655 1.00 0.00 C ATOM 927 CG ASP A 61 -0.020 -0.716 5.632 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.070 0.428 5.126 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.842 -1.570 5.290 1.00 0.00 O ATOM 0 H ASP A 61 -2.105 0.458 4.973 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.921 -0.601 7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.555 -1.380 7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.531 -2.066 6.306 1.00 0.00 H new ATOM 934 N ARG A 62 -1.808 2.184 7.268 1.00 0.00 N ATOM 935 CA ARG A 62 -1.424 3.391 7.946 1.00 0.00 C ATOM 936 C ARG A 62 0.076 3.580 8.091 1.00 0.00 C ATOM 937 O ARG A 62 0.644 3.533 9.202 1.00 0.00 O ATOM 938 CB ARG A 62 -2.226 3.659 9.235 1.00 0.00 C ATOM 939 CG ARG A 62 -3.689 3.919 8.939 1.00 0.00 C ATOM 940 CD ARG A 62 -4.529 4.149 10.182 1.00 0.00 C ATOM 941 NE ARG A 62 -5.910 4.446 9.790 1.00 0.00 N ATOM 942 CZ ARG A 62 -6.898 4.880 10.568 1.00 0.00 C ATOM 943 NH1 ARG A 62 -6.757 4.917 11.884 1.00 0.00 N ATOM 944 NH2 ARG A 62 -8.055 5.245 10.012 1.00 0.00 N ATOM 0 H ARG A 62 -2.210 2.343 6.344 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.719 4.191 7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.136 2.803 9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.802 4.517 9.756 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.770 4.790 8.289 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.096 3.071 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.503 3.266 10.820 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.119 4.975 10.763 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.140 4.303 8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.883 4.611 12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.522 5.252 12.470 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.175 5.190 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.820 5.579 10.598 1.00 0.00 H new ATOM 958 N ASP A 63 0.728 3.639 6.953 1.00 0.00 N ATOM 959 CA ASP A 63 2.089 4.136 6.862 1.00 0.00 C ATOM 960 C ASP A 63 1.956 5.685 6.843 1.00 0.00 C ATOM 961 O ASP A 63 0.836 6.213 6.990 1.00 0.00 O ATOM 962 CB ASP A 63 2.774 3.612 5.553 1.00 0.00 C ATOM 963 CG ASP A 63 4.248 4.031 5.424 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.534 5.151 5.001 1.00 0.00 O ATOM 965 OD2 ASP A 63 5.133 3.265 5.805 1.00 0.00 O ATOM 0 H ASP A 63 0.332 3.344 6.060 1.00 0.00 H new ATOM 0 HA ASP A 63 2.709 3.798 7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.710 2.524 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.222 3.983 4.690 1.00 0.00 H new ATOM 970 N LEU A 64 3.018 6.387 6.636 1.00 0.00 N ATOM 971 CA LEU A 64 3.014 7.822 6.629 1.00 0.00 C ATOM 972 C LEU A 64 2.520 8.324 5.277 1.00 0.00 C ATOM 973 O LEU A 64 1.969 9.408 5.181 1.00 0.00 O ATOM 974 CB LEU A 64 4.431 8.368 6.879 1.00 0.00 C ATOM 975 CG LEU A 64 5.139 7.913 8.164 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.527 8.525 8.245 1.00 0.00 C ATOM 977 CD2 LEU A 64 4.331 8.281 9.399 1.00 0.00 C ATOM 0 H LEU A 64 3.936 5.977 6.463 1.00 0.00 H new ATOM 0 HA LEU A 64 2.353 8.170 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.056 8.088 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.377 9.457 6.890 1.00 0.00 H new ATOM 0 HG LEU A 64 5.229 6.827 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.018 8.194 9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.115 8.209 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.446 9.612 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.858 7.946 10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.200 9.362 9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.354 7.799 9.352 1.00 0.00 H new ATOM 989 N ARG A 65 2.710 7.533 4.238 1.00 0.00 N ATOM 990 CA ARG A 65 2.312 7.942 2.907 1.00 0.00 C ATOM 991 C ARG A 65 1.761 6.721 2.165 1.00 0.00 C ATOM 992 O ARG A 65 2.238 5.616 2.404 1.00 0.00 O ATOM 993 CB ARG A 65 3.543 8.497 2.174 1.00 0.00 C ATOM 994 CG ARG A 65 3.218 9.387 0.996 1.00 0.00 C ATOM 995 CD ARG A 65 4.470 9.869 0.298 1.00 0.00 C ATOM 996 NE ARG A 65 4.171 10.974 -0.629 1.00 0.00 N ATOM 997 CZ ARG A 65 4.973 11.404 -1.607 1.00 0.00 C ATOM 998 NH1 ARG A 65 6.134 10.814 -1.847 1.00 0.00 N ATOM 999 NH2 ARG A 65 4.605 12.441 -2.349 1.00 0.00 N ATOM 0 H ARG A 65 3.136 6.608 4.291 1.00 0.00 H new ATOM 0 HA ARG A 65 1.543 8.713 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.150 9.060 2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.151 7.662 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.594 8.841 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.638 10.245 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.198 10.199 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.925 9.044 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 65 3.277 11.451 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.428 10.018 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.734 11.155 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.714 12.905 -2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.213 12.774 -3.097 1.00 0.00 H new ATOM 1013 N PRO A 66 0.723 6.879 1.282 1.00 0.00 N ATOM 1014 CA PRO A 66 0.167 5.756 0.512 1.00 0.00 C ATOM 1015 C PRO A 66 1.204 5.078 -0.350 1.00 0.00 C ATOM 1016 O PRO A 66 2.190 5.698 -0.803 1.00 0.00 O ATOM 1017 CB PRO A 66 -0.908 6.411 -0.349 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.312 7.564 0.466 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.021 8.118 0.991 1.00 0.00 C ATOM 0 HA PRO A 66 -0.215 4.968 1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.519 6.717 -1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.743 5.736 -0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.849 8.303 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.975 7.265 1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.489 8.741 0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.167 8.729 1.881 1.00 0.00 H new ATOM 1027 N TRP A 67 0.958 3.851 -0.632 1.00 0.00 N ATOM 1028 CA TRP A 67 1.902 3.028 -1.287 1.00 0.00 C ATOM 1029 C TRP A 67 1.175 2.011 -2.116 1.00 0.00 C ATOM 1030 O TRP A 67 -0.067 2.040 -2.187 1.00 0.00 O ATOM 1031 CB TRP A 67 2.843 2.361 -0.252 1.00 0.00 C ATOM 1032 CG TRP A 67 2.147 1.530 0.803 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.644 1.967 2.000 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.902 0.118 0.760 1.00 0.00 C ATOM 1035 NE1 TRP A 67 1.094 0.915 2.687 1.00 0.00 N ATOM 1036 CE2 TRP A 67 1.241 -0.228 1.948 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.175 -0.885 -0.170 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.850 -1.532 2.225 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.788 -2.171 0.108 1.00 0.00 C ATOM 1040 CH2 TRP A 67 1.130 -2.485 1.296 1.00 0.00 C ATOM 0 H TRP A 67 0.079 3.384 -0.409 1.00 0.00 H new ATOM 0 HA TRP A 67 2.525 3.629 -1.949 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.552 1.726 -0.784 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.423 3.139 0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.676 2.988 2.351 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.647 0.975 3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.683 -0.653 -1.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.342 -1.780 3.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.997 -2.954 -0.606 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.836 -3.507 1.483 1.00 0.00 H new ATOM 1051 N CYS A 68 1.909 1.144 -2.752 1.00 0.00 N ATOM 1052 CA CYS A 68 1.323 0.140 -3.564 1.00 0.00 C ATOM 1053 C CYS A 68 2.366 -0.957 -3.795 1.00 0.00 C ATOM 1054 O CYS A 68 3.571 -0.710 -3.619 1.00 0.00 O ATOM 1055 CB CYS A 68 0.884 0.776 -4.882 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.694 0.168 -5.494 1.00 0.00 S ATOM 0 H CYS A 68 2.928 1.121 -2.717 1.00 0.00 H new ATOM 0 HA CYS A 68 0.449 -0.302 -3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.819 1.856 -4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.650 0.593 -5.636 1.00 0.00 H new ATOM 1061 N PHE A 69 1.933 -2.157 -4.131 1.00 0.00 N ATOM 1062 CA PHE A 69 2.860 -3.227 -4.418 1.00 0.00 C ATOM 1063 C PHE A 69 3.351 -3.094 -5.826 1.00 0.00 C ATOM 1064 O PHE A 69 2.611 -2.690 -6.697 1.00 0.00 O ATOM 1065 CB PHE A 69 2.225 -4.604 -4.223 1.00 0.00 C ATOM 1066 CG PHE A 69 2.087 -5.038 -2.795 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.182 -5.540 -2.108 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.876 -4.966 -2.145 1.00 0.00 C ATOM 1069 CE1 PHE A 69 3.066 -5.957 -0.799 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.752 -5.379 -0.834 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.849 -5.875 -0.161 1.00 0.00 C ATOM 0 H PHE A 69 0.949 -2.412 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 69 3.691 -3.146 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.237 -4.601 -4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.823 -5.343 -4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.139 -5.605 -2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.012 -4.582 -2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.927 -6.347 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.204 -5.314 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.753 -6.199 0.865 1.00 0.00 H new ATOM 1081 N THR A 70 4.572 -3.402 -6.054 1.00 0.00 N ATOM 1082 CA THR A 70 5.116 -3.306 -7.367 1.00 0.00 C ATOM 1083 C THR A 70 4.871 -4.576 -8.159 1.00 0.00 C ATOM 1084 O THR A 70 4.820 -5.678 -7.599 1.00 0.00 O ATOM 1085 CB THR A 70 6.602 -3.031 -7.279 1.00 0.00 C ATOM 1086 OG1 THR A 70 7.028 -3.268 -5.939 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.932 -1.616 -7.679 1.00 0.00 C ATOM 0 H THR A 70 5.226 -3.728 -5.342 1.00 0.00 H new ATOM 0 HA THR A 70 4.619 -2.486 -7.886 1.00 0.00 H new ATOM 0 HB THR A 70 7.122 -3.694 -7.970 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.453 -4.149 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.008 -1.458 -7.603 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.612 -1.444 -8.707 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.415 -0.921 -7.017 1.00 0.00 H new ATOM 1095 N THR A 71 4.696 -4.428 -9.448 1.00 0.00 N ATOM 1096 CA THR A 71 4.538 -5.568 -10.304 1.00 0.00 C ATOM 1097 C THR A 71 5.940 -6.035 -10.783 1.00 0.00 C ATOM 1098 O THR A 71 6.073 -7.028 -11.510 1.00 0.00 O ATOM 1099 CB THR A 71 3.580 -5.247 -11.511 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.137 -6.456 -12.153 1.00 0.00 O ATOM 1101 CG2 THR A 71 4.256 -4.351 -12.547 1.00 0.00 C ATOM 0 H THR A 71 4.660 -3.527 -9.925 1.00 0.00 H new ATOM 0 HA THR A 71 4.068 -6.379 -9.748 1.00 0.00 H new ATOM 0 HB THR A 71 2.721 -4.718 -11.098 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.880 -7.093 -12.199 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.563 -4.152 -13.364 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.546 -3.410 -12.080 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.143 -4.851 -12.937 1.00 0.00 H new ATOM 1109 N ASP A 72 6.989 -5.321 -10.322 1.00 0.00 N ATOM 1110 CA ASP A 72 8.350 -5.650 -10.659 1.00 0.00 C ATOM 1111 C ASP A 72 8.804 -6.709 -9.682 1.00 0.00 C ATOM 1112 O ASP A 72 8.743 -6.482 -8.493 1.00 0.00 O ATOM 1113 CB ASP A 72 9.237 -4.403 -10.510 1.00 0.00 C ATOM 1114 CG ASP A 72 10.679 -4.657 -10.892 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.425 -5.265 -10.107 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.095 -4.240 -11.976 1.00 0.00 O ATOM 0 H ASP A 72 6.895 -4.509 -9.711 1.00 0.00 H new ATOM 0 HA ASP A 72 8.421 -6.006 -11.687 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.837 -3.602 -11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.196 -4.055 -9.478 1.00 0.00 H new ATOM 1121 N PRO A 73 9.229 -7.887 -10.160 1.00 0.00 N ATOM 1122 CA PRO A 73 9.642 -9.014 -9.300 1.00 0.00 C ATOM 1123 C PRO A 73 10.771 -8.695 -8.293 1.00 0.00 C ATOM 1124 O PRO A 73 10.948 -9.418 -7.306 1.00 0.00 O ATOM 1125 CB PRO A 73 10.114 -10.071 -10.301 1.00 0.00 C ATOM 1126 CG PRO A 73 9.421 -9.746 -11.552 1.00 0.00 C ATOM 1127 CD PRO A 73 9.301 -8.252 -11.587 1.00 0.00 C ATOM 0 HA PRO A 73 8.813 -9.319 -8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.196 -10.038 -10.429 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.864 -11.076 -9.961 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.980 -10.112 -12.413 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.438 -10.216 -11.586 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.158 -7.790 -12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.412 -7.932 -12.130 1.00 0.00 H new ATOM 1135 N ASN A 74 11.515 -7.638 -8.523 1.00 0.00 N ATOM 1136 CA ASN A 74 12.621 -7.284 -7.639 1.00 0.00 C ATOM 1137 C ASN A 74 12.156 -6.331 -6.546 1.00 0.00 C ATOM 1138 O ASN A 74 12.659 -6.362 -5.411 1.00 0.00 O ATOM 1139 CB ASN A 74 13.769 -6.672 -8.455 1.00 0.00 C ATOM 1140 CG ASN A 74 14.993 -6.272 -7.634 1.00 0.00 C ATOM 1141 OD1 ASN A 74 15.885 -7.091 -7.372 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.082 -5.016 -7.279 1.00 0.00 N ATOM 0 H ASN A 74 11.382 -7.004 -9.311 1.00 0.00 H new ATOM 0 HA ASN A 74 12.986 -8.189 -7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.077 -7.388 -9.216 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.396 -5.792 -8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.903 -4.686 -6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.330 -4.366 -7.510 1.00 0.00 H new ATOM 1149 N LYS A 75 11.193 -5.500 -6.863 1.00 0.00 N ATOM 1150 CA LYS A 75 10.687 -4.544 -5.902 1.00 0.00 C ATOM 1151 C LYS A 75 9.473 -5.140 -5.235 1.00 0.00 C ATOM 1152 O LYS A 75 8.542 -5.514 -5.917 1.00 0.00 O ATOM 1153 CB LYS A 75 10.263 -3.261 -6.610 1.00 0.00 C ATOM 1154 CG LYS A 75 10.213 -2.029 -5.695 1.00 0.00 C ATOM 1155 CD LYS A 75 11.541 -1.799 -4.977 1.00 0.00 C ATOM 1156 CE LYS A 75 11.582 -0.472 -4.230 1.00 0.00 C ATOM 1157 NZ LYS A 75 11.701 0.684 -5.141 1.00 0.00 N ATOM 0 H LYS A 75 10.743 -5.464 -7.778 1.00 0.00 H new ATOM 0 HA LYS A 75 11.465 -4.316 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.955 -3.065 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.279 -3.411 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.962 -1.148 -6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.419 -2.156 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.715 -2.613 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.352 -1.827 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.677 -0.367 -3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.424 -0.474 -3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.199 1.458 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.236 0.405 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.752 1.005 -5.421 1.00 0.00 H new ATOM 1171 N ARG A 76 9.434 -5.186 -3.928 1.00 0.00 N ATOM 1172 CA ARG A 76 8.279 -5.806 -3.278 1.00 0.00 C ATOM 1173 C ARG A 76 7.118 -4.840 -3.293 1.00 0.00 C ATOM 1174 O ARG A 76 6.039 -5.143 -3.816 1.00 0.00 O ATOM 1175 CB ARG A 76 8.553 -6.260 -1.845 1.00 0.00 C ATOM 1176 CG ARG A 76 7.410 -7.118 -1.315 1.00 0.00 C ATOM 1177 CD ARG A 76 7.580 -7.558 0.124 1.00 0.00 C ATOM 1178 NE ARG A 76 6.469 -8.441 0.506 1.00 0.00 N ATOM 1179 CZ ARG A 76 6.071 -8.750 1.742 1.00 0.00 C ATOM 1180 NH1 ARG A 76 6.674 -8.251 2.794 1.00 0.00 N ATOM 1181 NH2 ARG A 76 5.067 -9.575 1.921 1.00 0.00 N ATOM 0 H ARG A 76 10.152 -4.821 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 76 8.044 -6.706 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.484 -6.827 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.686 -5.389 -1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.479 -6.559 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.312 -8.002 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.530 -8.079 0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.608 -6.688 0.780 1.00 0.00 H new ATOM 0 HE ARG A 76 5.944 -8.865 -0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.462 -7.614 2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.355 -8.499 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.590 -9.981 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.763 -9.811 2.866 1.00 0.00 H new ATOM 1195 N TRP A 77 7.353 -3.684 -2.745 1.00 0.00 N ATOM 1196 CA TRP A 77 6.390 -2.619 -2.741 1.00 0.00 C ATOM 1197 C TRP A 77 7.098 -1.303 -2.823 1.00 0.00 C ATOM 1198 O TRP A 77 8.326 -1.217 -2.594 1.00 0.00 O ATOM 1199 CB TRP A 77 5.453 -2.662 -1.519 1.00 0.00 C ATOM 1200 CG TRP A 77 6.117 -2.544 -0.165 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.782 -3.519 0.527 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.139 -1.379 0.672 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.225 -3.018 1.734 1.00 0.00 N ATOM 1204 CE2 TRP A 77 6.840 -1.713 1.842 1.00 0.00 C ATOM 1205 CE3 TRP A 77 5.637 -0.085 0.538 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.048 -0.800 2.874 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 5.844 0.817 1.559 1.00 0.00 C ATOM 1208 CH2 TRP A 77 6.544 0.457 2.714 1.00 0.00 C ATOM 0 H TRP A 77 8.231 -3.450 -2.281 1.00 0.00 H new ATOM 0 HA TRP A 77 5.753 -2.749 -3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.726 -1.855 -1.616 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.896 -3.598 -1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.937 -4.530 0.180 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.755 -3.539 2.433 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.096 0.205 -0.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 7.588 -1.078 3.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.458 1.821 1.465 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.689 1.189 3.495 1.00 0.00 H new ATOM 1219 N GLU A 78 6.368 -0.287 -3.121 1.00 0.00 N ATOM 1220 CA GLU A 78 6.948 1.013 -3.262 1.00 0.00 C ATOM 1221 C GLU A 78 5.943 2.066 -2.849 1.00 0.00 C ATOM 1222 O GLU A 78 4.727 1.854 -2.955 1.00 0.00 O ATOM 1223 CB GLU A 78 7.407 1.239 -4.712 1.00 0.00 C ATOM 1224 CG GLU A 78 8.386 2.380 -4.871 1.00 0.00 C ATOM 1225 CD GLU A 78 8.920 2.509 -6.269 1.00 0.00 C ATOM 1226 OE1 GLU A 78 9.816 1.727 -6.639 1.00 0.00 O ATOM 1227 OE2 GLU A 78 8.479 3.407 -7.014 1.00 0.00 O ATOM 0 H GLU A 78 5.360 -0.326 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 78 7.822 1.088 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.867 0.324 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.533 1.433 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.897 3.312 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.219 2.235 -4.183 1.00 0.00 H new ATOM 1234 N TYR A 79 6.440 3.177 -2.356 1.00 0.00 N ATOM 1235 CA TYR A 79 5.615 4.288 -1.987 1.00 0.00 C ATOM 1236 C TYR A 79 5.068 4.949 -3.214 1.00 0.00 C ATOM 1237 O TYR A 79 5.648 4.849 -4.301 1.00 0.00 O ATOM 1238 CB TYR A 79 6.401 5.302 -1.162 1.00 0.00 C ATOM 1239 CG TYR A 79 6.666 4.862 0.243 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.766 5.163 1.234 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.811 4.154 0.586 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.982 4.779 2.520 1.00 0.00 C ATOM 1243 CE2 TYR A 79 8.039 3.761 1.887 1.00 0.00 C ATOM 1244 CZ TYR A 79 7.114 4.079 2.852 1.00 0.00 C ATOM 1245 OH TYR A 79 7.326 3.706 4.164 1.00 0.00 O ATOM 0 H TYR A 79 7.437 3.329 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 79 4.792 3.913 -1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.352 5.500 -1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.851 6.243 -1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.871 5.714 0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.533 3.908 -0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.259 5.026 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.932 3.211 2.144 1.00 0.00 H new ATOM 0 HH TYR A 79 6.468 3.491 4.586 1.00 0.00 H new ATOM 1255 N CYS A 80 3.976 5.602 -3.059 1.00 0.00 N ATOM 1256 CA CYS A 80 3.370 6.297 -4.138 1.00 0.00 C ATOM 1257 C CYS A 80 3.597 7.766 -3.887 1.00 0.00 C ATOM 1258 O CYS A 80 3.528 8.222 -2.733 1.00 0.00 O ATOM 1259 CB CYS A 80 1.892 6.007 -4.156 1.00 0.00 C ATOM 1260 SG CYS A 80 1.087 6.266 -5.752 1.00 0.00 S ATOM 0 H CYS A 80 3.472 5.671 -2.175 1.00 0.00 H new ATOM 0 HA CYS A 80 3.792 5.991 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.736 4.973 -3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.404 6.637 -3.412 1.00 0.00 H new ATOM 1265 N ASP A 81 3.861 8.509 -4.911 1.00 0.00 N ATOM 1266 CA ASP A 81 4.162 9.902 -4.725 1.00 0.00 C ATOM 1267 C ASP A 81 2.917 10.730 -4.931 1.00 0.00 C ATOM 1268 O ASP A 81 2.578 11.128 -6.047 1.00 0.00 O ATOM 1269 CB ASP A 81 5.314 10.384 -5.614 1.00 0.00 C ATOM 1270 CG ASP A 81 5.805 11.757 -5.204 1.00 0.00 C ATOM 1271 OD1 ASP A 81 6.672 11.840 -4.301 1.00 0.00 O ATOM 1272 OD2 ASP A 81 5.344 12.765 -5.736 1.00 0.00 O ATOM 0 H ASP A 81 3.876 8.185 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 81 4.505 10.031 -3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.138 9.672 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.985 10.411 -6.653 1.00 0.00 H new ATOM 1277 N ILE A 82 2.187 10.884 -3.864 1.00 0.00 N ATOM 1278 CA ILE A 82 0.982 11.657 -3.858 1.00 0.00 C ATOM 1279 C ILE A 82 1.221 12.905 -3.027 1.00 0.00 C ATOM 1280 O ILE A 82 1.865 12.816 -1.959 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.183 10.847 -3.222 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.285 9.476 -3.903 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.512 11.617 -3.332 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.392 8.591 -3.373 1.00 0.00 C ATOM 0 H ILE A 82 2.417 10.469 -2.961 1.00 0.00 H new ATOM 0 HA ILE A 82 0.713 11.914 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 82 0.024 10.701 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.438 9.626 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.666 8.956 -3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.311 11.030 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.424 12.571 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.743 11.796 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.390 7.643 -3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.232 8.405 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.353 9.086 -3.514 1.00 0.00 H new ATOM 1296 N PRO A 83 0.806 14.077 -3.539 1.00 0.00 N ATOM 1297 CA PRO A 83 0.858 15.354 -2.814 1.00 0.00 C ATOM 1298 C PRO A 83 0.399 15.230 -1.351 1.00 0.00 C ATOM 1299 O PRO A 83 -0.669 14.670 -1.053 1.00 0.00 O ATOM 1300 CB PRO A 83 -0.137 16.189 -3.597 1.00 0.00 C ATOM 1301 CG PRO A 83 0.065 15.762 -4.996 1.00 0.00 C ATOM 1302 CD PRO A 83 0.293 14.276 -4.922 1.00 0.00 C ATOM 0 HA PRO A 83 1.867 15.761 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.160 16.006 -3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.052 17.255 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.804 15.998 -5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.919 16.270 -5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.628 13.719 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.012 13.942 -5.670 1.00 0.00 H new ATOM 1310 N ARG A 84 1.192 15.754 -0.457 1.00 0.00 N ATOM 1311 CA ARG A 84 0.923 15.663 0.958 1.00 0.00 C ATOM 1312 C ARG A 84 0.521 17.008 1.507 1.00 0.00 C ATOM 1313 O ARG A 84 1.181 18.010 1.252 1.00 0.00 O ATOM 1314 CB ARG A 84 2.176 15.198 1.697 1.00 0.00 C ATOM 1315 CG ARG A 84 2.678 13.823 1.302 1.00 0.00 C ATOM 1316 CD ARG A 84 4.039 13.549 1.917 1.00 0.00 C ATOM 1317 NE ARG A 84 4.024 13.593 3.383 1.00 0.00 N ATOM 1318 CZ ARG A 84 4.993 14.132 4.148 1.00 0.00 C ATOM 1319 NH1 ARG A 84 5.991 14.817 3.595 1.00 0.00 N ATOM 1320 NH2 ARG A 84 4.940 13.994 5.462 1.00 0.00 N ATOM 0 H ARG A 84 2.048 16.259 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 84 0.112 14.950 1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.972 15.923 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.970 15.200 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.967 13.064 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.744 13.753 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.388 12.569 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.754 14.282 1.544 1.00 0.00 H new ATOM 0 HE ARG A 84 3.219 13.185 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.027 14.938 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.720 15.221 4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.169 13.482 5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.670 14.400 6.047 1.00 0.00 H new ATOM 1334 N CYS A 85 -0.552 17.036 2.225 1.00 0.00 N ATOM 1335 CA CYS A 85 -0.956 18.196 2.932 1.00 0.00 C ATOM 1336 C CYS A 85 -1.132 17.850 4.385 1.00 0.00 C ATOM 1337 O CYS A 85 -1.739 16.833 4.729 1.00 0.00 O ATOM 1338 CB CYS A 85 -2.197 18.858 2.330 1.00 0.00 C ATOM 1339 SG CYS A 85 -1.808 20.128 1.057 1.00 0.00 S ATOM 0 H CYS A 85 -1.179 16.240 2.336 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.171 18.947 2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.828 18.090 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.775 19.322 3.129 1.00 0.00 H new ATOM 1344 N ALA A 86 -0.556 18.651 5.233 1.00 0.00 N ATOM 1345 CA ALA A 86 -0.580 18.394 6.650 1.00 0.00 C ATOM 1346 C ALA A 86 -1.859 18.925 7.284 1.00 0.00 C ATOM 1347 O ALA A 86 -2.225 18.540 8.398 1.00 0.00 O ATOM 1348 CB ALA A 86 0.646 19.001 7.298 1.00 0.00 C ATOM 0 H ALA A 86 -0.057 19.500 4.967 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.565 17.316 6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.626 18.805 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.543 18.558 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.653 20.077 7.126 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.529 19.788 6.573 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.747 20.379 7.043 1.00 0.00 C ATOM 1356 C ALA A 87 -4.905 19.896 6.188 1.00 0.00 C ATOM 1357 O ALA A 87 -5.595 18.942 6.579 1.00 0.00 O ATOM 1358 CB ALA A 87 -3.636 21.894 7.016 1.00 0.00 C ATOM 1359 OXT ALA A 87 -5.119 20.444 5.088 1.00 0.00 O ATOM 0 H ALA A 87 -2.242 20.102 5.646 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.929 20.076 8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.567 22.333 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.814 22.210 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.448 22.227 5.995 1.00 0.00 H new TER 1365 ALA A 87 ATOM 1366 N GLY B 99 -11.433 -15.785 17.536 1.00 0.00 N ATOM 1367 CA GLY B 99 -12.352 -14.671 17.724 1.00 0.00 C ATOM 1368 C GLY B 99 -11.629 -13.374 17.573 1.00 0.00 C ATOM 1369 O GLY B 99 -10.393 -13.363 17.521 1.00 0.00 O ATOM 0 HA2 GLY B 99 -13.161 -14.731 16.996 1.00 0.00 H new ATOM 0 HA3 GLY B 99 -12.807 -14.729 18.713 1.00 0.00 H new ATOM 1375 N SER B 100 -12.365 -12.290 17.497 1.00 0.00 N ATOM 1376 CA SER B 100 -11.788 -10.987 17.346 1.00 0.00 C ATOM 1377 C SER B 100 -11.292 -10.504 18.710 1.00 0.00 C ATOM 1378 O SER B 100 -12.066 -9.992 19.531 1.00 0.00 O ATOM 1379 CB SER B 100 -12.830 -10.015 16.737 1.00 0.00 C ATOM 1380 OG SER B 100 -12.274 -8.740 16.419 1.00 0.00 O ATOM 0 H SER B 100 -13.384 -12.294 17.539 1.00 0.00 H new ATOM 0 HA SER B 100 -10.939 -11.025 16.663 1.00 0.00 H new ATOM 0 HB2 SER B 100 -13.251 -10.459 15.835 1.00 0.00 H new ATOM 0 HB3 SER B 100 -13.652 -9.883 17.440 1.00 0.00 H new ATOM 0 HG SER B 100 -12.970 -8.166 16.037 1.00 0.00 H new ATOM 1386 N VAL B 101 -10.039 -10.769 18.982 1.00 0.00 N ATOM 1387 CA VAL B 101 -9.419 -10.354 20.225 1.00 0.00 C ATOM 1388 C VAL B 101 -8.535 -9.120 20.024 1.00 0.00 C ATOM 1389 O VAL B 101 -9.049 -8.012 19.928 1.00 0.00 O ATOM 1390 CB VAL B 101 -8.681 -11.517 20.971 1.00 0.00 C ATOM 1391 CG1 VAL B 101 -9.693 -12.392 21.689 1.00 0.00 C ATOM 1392 CG2 VAL B 101 -7.909 -12.393 19.987 1.00 0.00 C ATOM 0 H VAL B 101 -9.417 -11.277 18.353 1.00 0.00 H new ATOM 0 HA VAL B 101 -10.229 -10.063 20.894 1.00 0.00 H new ATOM 0 HB VAL B 101 -7.987 -11.069 21.682 1.00 0.00 H new ATOM 0 HG11 VAL B 101 -9.174 -13.199 22.206 1.00 0.00 H new ATOM 0 HG12 VAL B 101 -10.244 -11.792 22.413 1.00 0.00 H new ATOM 0 HG13 VAL B 101 -10.389 -12.814 20.964 1.00 0.00 H new ATOM 0 HG21 VAL B 101 -7.405 -13.193 20.530 1.00 0.00 H new ATOM 0 HG22 VAL B 101 -8.601 -12.825 19.264 1.00 0.00 H new ATOM 0 HG23 VAL B 101 -7.169 -11.787 19.464 1.00 0.00 H new ATOM 1402 N GLU B 102 -7.238 -9.289 19.939 1.00 0.00 N ATOM 1403 CA GLU B 102 -6.379 -8.182 19.615 1.00 0.00 C ATOM 1404 C GLU B 102 -5.652 -8.484 18.326 1.00 0.00 C ATOM 1405 O GLU B 102 -5.971 -7.934 17.290 1.00 0.00 O ATOM 1406 CB GLU B 102 -5.358 -7.888 20.712 1.00 0.00 C ATOM 1407 CG GLU B 102 -4.483 -6.696 20.376 1.00 0.00 C ATOM 1408 CD GLU B 102 -3.235 -6.641 21.211 1.00 0.00 C ATOM 1409 OE1 GLU B 102 -3.293 -6.178 22.369 1.00 0.00 O ATOM 1410 OE2 GLU B 102 -2.163 -7.063 20.734 1.00 0.00 O ATOM 0 H GLU B 102 -6.759 -10.177 20.089 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.008 -7.298 19.512 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -5.880 -7.701 21.651 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -4.730 -8.766 20.866 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -4.209 -6.737 19.322 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.054 -5.779 20.521 1.00 0.00 H new ATOM 1417 N LYS B 103 -4.709 -9.415 18.390 1.00 0.00 N ATOM 1418 CA LYS B 103 -3.890 -9.764 17.250 1.00 0.00 C ATOM 1419 C LYS B 103 -4.631 -10.604 16.262 1.00 0.00 C ATOM 1420 O LYS B 103 -4.295 -10.646 15.073 1.00 0.00 O ATOM 1421 CB LYS B 103 -2.639 -10.443 17.690 1.00 0.00 C ATOM 1422 CG LYS B 103 -1.717 -9.537 18.456 1.00 0.00 C ATOM 1423 CD LYS B 103 -0.444 -10.242 18.837 1.00 0.00 C ATOM 1424 CE LYS B 103 0.494 -9.296 19.545 1.00 0.00 C ATOM 1425 NZ LYS B 103 -0.076 -8.773 20.808 1.00 0.00 N ATOM 0 H LYS B 103 -4.495 -9.945 19.235 1.00 0.00 H new ATOM 0 HA LYS B 103 -3.624 -8.835 16.745 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.897 -11.300 18.312 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -2.115 -10.830 16.816 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -1.482 -8.660 17.852 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -2.220 -9.180 19.355 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -0.671 -11.090 19.483 1.00 0.00 H new ATOM 0 HD3 LYS B 103 0.038 -10.641 17.945 1.00 0.00 H new ATOM 0 HE2 LYS B 103 1.431 -9.810 19.758 1.00 0.00 H new ATOM 0 HE3 LYS B 103 0.731 -8.462 18.884 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 0.691 -8.418 21.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -0.737 -7.998 20.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -0.583 -9.535 21.302 1.00 0.00 H new ATOM 1439 N LEU B 104 -5.645 -11.256 16.732 1.00 0.00 N ATOM 1440 CA LEU B 104 -6.453 -12.055 15.875 1.00 0.00 C ATOM 1441 C LEU B 104 -7.624 -11.216 15.401 1.00 0.00 C ATOM 1442 O LEU B 104 -8.763 -11.393 15.842 1.00 0.00 O ATOM 1443 CB LEU B 104 -6.916 -13.334 16.581 1.00 0.00 C ATOM 1444 CG LEU B 104 -5.805 -14.200 17.203 1.00 0.00 C ATOM 1445 CD1 LEU B 104 -6.389 -15.425 17.867 1.00 0.00 C ATOM 1446 CD2 LEU B 104 -4.765 -14.603 16.169 1.00 0.00 C ATOM 0 H LEU B 104 -5.933 -11.249 17.711 1.00 0.00 H new ATOM 0 HA LEU B 104 -5.870 -12.377 15.012 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -7.618 -13.058 17.368 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -7.466 -13.943 15.863 1.00 0.00 H new ATOM 0 HG LEU B 104 -5.306 -13.596 17.961 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -5.586 -16.022 18.299 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -7.078 -15.119 18.654 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -6.925 -16.019 17.127 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -3.997 -15.213 16.644 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -5.244 -15.176 15.375 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -4.308 -13.709 15.745 1.00 0.00 H new ATOM 1458 N THR B 105 -7.296 -10.225 14.603 1.00 0.00 N ATOM 1459 CA THR B 105 -8.235 -9.313 14.001 1.00 0.00 C ATOM 1460 C THR B 105 -7.661 -8.962 12.645 1.00 0.00 C ATOM 1461 O THR B 105 -6.497 -9.286 12.372 1.00 0.00 O ATOM 1462 CB THR B 105 -8.389 -7.972 14.808 1.00 0.00 C ATOM 1463 OG1 THR B 105 -7.127 -7.295 14.876 1.00 0.00 O ATOM 1464 CG2 THR B 105 -8.911 -8.188 16.225 1.00 0.00 C ATOM 0 H THR B 105 -6.329 -10.027 14.347 1.00 0.00 H new ATOM 0 HA THR B 105 -9.216 -9.788 13.964 1.00 0.00 H new ATOM 0 HB THR B 105 -9.123 -7.369 14.273 1.00 0.00 H new ATOM 0 HG1 THR B 105 -6.634 -7.600 15.666 1.00 0.00 H new ATOM 0 HG21 THR B 105 -8.996 -7.227 16.732 1.00 0.00 H new ATOM 0 HG22 THR B 105 -9.891 -8.664 16.183 1.00 0.00 H new ATOM 0 HG23 THR B 105 -8.220 -8.828 16.774 1.00 0.00 H new ATOM 1472 N ALA B 106 -8.430 -8.296 11.818 1.00 0.00 N ATOM 1473 CA ALA B 106 -7.946 -7.848 10.527 1.00 0.00 C ATOM 1474 C ALA B 106 -6.958 -6.710 10.708 1.00 0.00 C ATOM 1475 O ALA B 106 -5.917 -6.676 10.072 1.00 0.00 O ATOM 1476 CB ALA B 106 -9.114 -7.419 9.646 1.00 0.00 C ATOM 0 H ALA B 106 -9.400 -8.049 12.014 1.00 0.00 H new ATOM 0 HA ALA B 106 -7.433 -8.673 10.033 1.00 0.00 H new ATOM 0 HB1 ALA B 106 -8.737 -7.085 8.679 1.00 0.00 H new ATOM 0 HB2 ALA B 106 -9.789 -8.262 9.500 1.00 0.00 H new ATOM 0 HB3 ALA B 106 -9.652 -6.603 10.128 1.00 0.00 H new ATOM 1482 N ASP B 107 -7.257 -5.840 11.643 1.00 0.00 N ATOM 1483 CA ASP B 107 -6.456 -4.631 11.874 1.00 0.00 C ATOM 1484 C ASP B 107 -5.088 -4.982 12.393 1.00 0.00 C ATOM 1485 O ASP B 107 -4.085 -4.491 11.904 1.00 0.00 O ATOM 1486 CB ASP B 107 -7.154 -3.719 12.867 1.00 0.00 C ATOM 1487 CG ASP B 107 -6.503 -2.351 12.999 1.00 0.00 C ATOM 1488 OD1 ASP B 107 -6.880 -1.418 12.236 1.00 0.00 O ATOM 1489 OD2 ASP B 107 -5.654 -2.159 13.873 1.00 0.00 O ATOM 0 H ASP B 107 -8.056 -5.937 12.270 1.00 0.00 H new ATOM 0 HA ASP B 107 -6.347 -4.115 10.920 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -8.192 -3.590 12.561 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -7.167 -4.202 13.844 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.046 -5.838 13.367 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.769 -6.242 13.924 1.00 0.00 C ATOM 1496 C ALA B 108 -2.981 -7.087 12.945 1.00 0.00 C ATOM 1497 O ALA B 108 -1.745 -7.043 12.943 1.00 0.00 O ATOM 1498 CB ALA B 108 -3.928 -6.954 15.230 1.00 0.00 C ATOM 0 H ALA B 108 -5.863 -6.272 13.796 1.00 0.00 H new ATOM 0 HA ALA B 108 -3.205 -5.329 14.114 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -2.947 -7.238 15.611 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.419 -6.295 15.946 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.534 -7.848 15.085 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.685 -7.838 12.101 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.031 -8.627 11.085 1.00 0.00 C ATOM 1506 C GLU B 109 -2.357 -7.685 10.107 1.00 0.00 C ATOM 1507 O GLU B 109 -1.162 -7.797 9.842 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.036 -9.500 10.341 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.409 -10.415 9.313 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.425 -11.148 8.501 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -5.033 -12.117 8.999 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -4.636 -10.798 7.326 1.00 0.00 O ATOM 0 H GLU B 109 -4.702 -7.910 12.108 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.298 -9.281 11.556 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.584 -10.104 11.065 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -4.764 -8.858 9.846 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -2.773 -9.828 8.650 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -2.765 -11.135 9.818 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.124 -6.707 9.637 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.656 -5.740 8.668 1.00 0.00 C ATOM 1521 C LEU B 110 -1.504 -4.927 9.265 1.00 0.00 C ATOM 1522 O LEU B 110 -0.534 -4.592 8.585 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.866 -4.878 8.179 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.441 -3.737 9.038 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -3.621 -2.506 8.922 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -5.859 -3.423 8.614 1.00 0.00 C ATOM 0 H LEU B 110 -4.093 -6.568 9.924 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.248 -6.230 7.784 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -3.577 -4.440 7.223 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -4.686 -5.568 7.979 1.00 0.00 H new ATOM 0 HG LEU B 110 -4.428 -4.072 10.075 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -4.055 -1.720 9.541 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -2.605 -2.713 9.258 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -3.600 -2.179 7.882 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -6.252 -2.614 9.230 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -5.867 -3.119 7.567 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -6.481 -4.310 8.739 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.609 -4.688 10.553 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.601 -3.985 11.335 1.00 0.00 C ATOM 1540 C GLN B 111 0.725 -4.763 11.367 1.00 0.00 C ATOM 1541 O GLN B 111 1.800 -4.211 11.092 1.00 0.00 O ATOM 1542 CB GLN B 111 -1.104 -3.787 12.749 1.00 0.00 C ATOM 1543 CG GLN B 111 -0.288 -2.805 13.539 1.00 0.00 C ATOM 1544 CD GLN B 111 -0.366 -1.405 12.974 1.00 0.00 C ATOM 1545 OE1 GLN B 111 0.430 -1.014 12.133 1.00 0.00 O ATOM 1546 NE2 GLN B 111 -1.329 -0.650 13.423 1.00 0.00 N ATOM 0 H GLN B 111 -2.415 -4.982 11.105 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.419 -3.019 10.864 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -2.138 -3.444 12.714 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.103 -4.747 13.265 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -0.635 -2.797 14.572 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.752 -3.130 13.554 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -1.975 -1.011 14.125 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -1.437 0.302 13.072 1.00 0.00 H new ATOM 1555 N ARG B 112 0.646 -6.033 11.690 1.00 0.00 N ATOM 1556 CA ARG B 112 1.815 -6.895 11.744 1.00 0.00 C ATOM 1557 C ARG B 112 2.386 -7.141 10.361 1.00 0.00 C ATOM 1558 O ARG B 112 3.606 -7.174 10.183 1.00 0.00 O ATOM 1559 CB ARG B 112 1.487 -8.193 12.453 1.00 0.00 C ATOM 1560 CG ARG B 112 1.386 -8.073 13.959 1.00 0.00 C ATOM 1561 CD ARG B 112 2.716 -7.706 14.559 1.00 0.00 C ATOM 1562 NE ARG B 112 2.635 -7.455 15.999 1.00 0.00 N ATOM 1563 CZ ARG B 112 3.352 -8.105 16.938 1.00 0.00 C ATOM 1564 NH1 ARG B 112 4.120 -9.140 16.606 1.00 0.00 N ATOM 1565 NH2 ARG B 112 3.276 -7.726 18.208 1.00 0.00 N ATOM 0 H ARG B 112 -0.229 -6.503 11.924 1.00 0.00 H new ATOM 0 HA ARG B 112 2.587 -6.385 12.320 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.542 -8.576 12.067 1.00 0.00 H new ATOM 0 HB3 ARG B 112 2.253 -8.930 12.210 1.00 0.00 H new ATOM 0 HG2 ARG B 112 0.645 -7.317 14.219 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.040 -9.017 14.381 1.00 0.00 H new ATOM 0 HD2 ARG B 112 3.428 -8.510 14.374 1.00 0.00 H new ATOM 0 HD3 ARG B 112 3.102 -6.817 14.060 1.00 0.00 H new ATOM 0 HE ARG B 112 1.987 -6.734 16.316 1.00 0.00 H new ATOM 0 HH11 ARG B 112 4.170 -9.447 15.635 1.00 0.00 H new ATOM 0 HH12 ARG B 112 4.659 -9.626 17.323 1.00 0.00 H new ATOM 0 HH21 ARG B 112 2.676 -6.944 18.472 1.00 0.00 H new ATOM 0 HH22 ARG B 112 3.818 -8.216 18.920 1.00 0.00 H new ATOM 1579 N LEU B 113 1.511 -7.267 9.379 1.00 0.00 N ATOM 1580 CA LEU B 113 1.931 -7.411 7.995 1.00 0.00 C ATOM 1581 C LEU B 113 2.627 -6.133 7.516 1.00 0.00 C ATOM 1582 O LEU B 113 3.571 -6.182 6.718 1.00 0.00 O ATOM 1583 CB LEU B 113 0.739 -7.741 7.083 1.00 0.00 C ATOM 1584 CG LEU B 113 0.047 -9.094 7.290 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.196 -9.181 6.417 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.994 -10.237 6.951 1.00 0.00 C ATOM 0 H LEU B 113 0.500 -7.273 9.515 1.00 0.00 H new ATOM 0 HA LEU B 113 2.636 -8.241 7.942 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.008 -6.957 7.208 1.00 0.00 H new ATOM 0 HB3 LEU B 113 1.082 -7.692 6.049 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.241 -9.178 8.338 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -1.681 -10.145 6.570 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -1.886 -8.381 6.685 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -0.913 -9.080 5.369 1.00 0.00 H new ATOM 0 HD21 LEU B 113 0.485 -11.189 7.104 1.00 0.00 H new ATOM 0 HD22 LEU B 113 1.305 -10.155 5.910 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.871 -10.187 7.596 1.00 0.00 H new ATOM 1598 N LYS B 114 2.164 -4.987 8.009 1.00 0.00 N ATOM 1599 CA LYS B 114 2.778 -3.714 7.681 1.00 0.00 C ATOM 1600 C LYS B 114 4.166 -3.709 8.219 1.00 0.00 C ATOM 1601 O LYS B 114 5.111 -3.393 7.508 1.00 0.00 O ATOM 1602 CB LYS B 114 1.996 -2.558 8.277 1.00 0.00 C ATOM 1603 CG LYS B 114 2.488 -1.185 7.845 1.00 0.00 C ATOM 1604 CD LYS B 114 1.710 -0.081 8.501 1.00 0.00 C ATOM 1605 CE LYS B 114 2.190 0.204 9.898 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.333 1.195 10.568 1.00 0.00 N ATOM 0 H LYS B 114 1.364 -4.919 8.638 1.00 0.00 H new ATOM 0 HA LYS B 114 2.785 -3.590 6.598 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.947 -2.661 7.997 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.044 -2.623 9.364 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.544 -1.083 8.094 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.406 -1.094 6.762 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.791 0.824 7.900 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.654 -0.351 8.530 1.00 0.00 H new ATOM 0 HE2 LYS B 114 2.201 -0.720 10.476 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.216 0.571 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.915 1.795 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 0.864 1.787 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.614 0.704 11.137 1.00 0.00 H new ATOM 1620 N ASN B 115 4.266 -4.093 9.468 1.00 0.00 N ATOM 1621 CA ASN B 115 5.527 -4.239 10.174 1.00 0.00 C ATOM 1622 C ASN B 115 6.466 -5.147 9.402 1.00 0.00 C ATOM 1623 O ASN B 115 7.596 -4.791 9.170 1.00 0.00 O ATOM 1624 CB ASN B 115 5.273 -4.760 11.595 1.00 0.00 C ATOM 1625 CG ASN B 115 5.031 -3.661 12.615 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.975 -3.141 13.205 1.00 0.00 O ATOM 1627 ND2 ASN B 115 3.789 -3.300 12.841 1.00 0.00 N ATOM 0 H ASN B 115 3.454 -4.320 10.042 1.00 0.00 H new ATOM 0 HA ASN B 115 6.009 -3.265 10.254 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.410 -5.425 11.579 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.129 -5.356 11.912 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.586 -2.569 13.523 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.027 -3.751 12.335 1.00 0.00 H new ATOM 1634 N GLU B 116 5.942 -6.266 8.926 1.00 0.00 N ATOM 1635 CA GLU B 116 6.678 -7.228 8.091 1.00 0.00 C ATOM 1636 C GLU B 116 7.315 -6.522 6.901 1.00 0.00 C ATOM 1637 O GLU B 116 8.526 -6.569 6.692 1.00 0.00 O ATOM 1638 CB GLU B 116 5.696 -8.260 7.558 1.00 0.00 C ATOM 1639 CG GLU B 116 6.262 -9.129 6.466 1.00 0.00 C ATOM 1640 CD GLU B 116 5.214 -9.914 5.758 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.833 -10.987 6.247 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.770 -9.467 4.669 1.00 0.00 O ATOM 0 H GLU B 116 4.978 -6.544 9.107 1.00 0.00 H new ATOM 0 HA GLU B 116 7.456 -7.697 8.694 1.00 0.00 H new ATOM 0 HB2 GLU B 116 5.367 -8.895 8.381 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.813 -7.746 7.179 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.791 -8.504 5.746 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.996 -9.812 6.894 1.00 0.00 H new ATOM 1649 N ARG B 117 6.473 -5.876 6.131 1.00 0.00 N ATOM 1650 CA ARG B 117 6.894 -5.125 4.952 1.00 0.00 C ATOM 1651 C ARG B 117 7.815 -3.972 5.311 1.00 0.00 C ATOM 1652 O ARG B 117 8.551 -3.491 4.471 1.00 0.00 O ATOM 1653 CB ARG B 117 5.704 -4.618 4.155 1.00 0.00 C ATOM 1654 CG ARG B 117 4.845 -5.723 3.592 1.00 0.00 C ATOM 1655 CD ARG B 117 3.624 -5.191 2.874 1.00 0.00 C ATOM 1656 NE ARG B 117 2.760 -4.444 3.765 1.00 0.00 N ATOM 1657 CZ ARG B 117 1.735 -4.953 4.399 1.00 0.00 C ATOM 1658 NH1 ARG B 117 1.453 -6.266 4.304 1.00 0.00 N ATOM 1659 NH2 ARG B 117 0.989 -4.167 5.132 1.00 0.00 N ATOM 0 H ARG B 117 5.467 -5.851 6.298 1.00 0.00 H new ATOM 0 HA ARG B 117 7.454 -5.821 4.327 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.092 -3.982 4.795 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.063 -3.994 3.336 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.437 -6.324 2.902 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.530 -6.383 4.400 1.00 0.00 H new ATOM 0 HD2 ARG B 117 3.937 -4.550 2.050 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.067 -6.021 2.439 1.00 0.00 H new ATOM 0 HE ARG B 117 2.964 -3.455 3.908 1.00 0.00 H new ATOM 0 HH11 ARG B 117 2.041 -6.874 3.734 1.00 0.00 H new ATOM 0 HH12 ARG B 117 0.652 -6.653 4.802 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.210 -3.174 5.202 1.00 0.00 H new ATOM 0 HH22 ARG B 117 0.186 -4.547 5.633 1.00 0.00 H new ATOM 1673 N HIS B 118 7.764 -3.549 6.551 1.00 0.00 N ATOM 1674 CA HIS B 118 8.618 -2.502 7.052 1.00 0.00 C ATOM 1675 C HIS B 118 9.976 -3.052 7.420 1.00 0.00 C ATOM 1676 O HIS B 118 10.988 -2.392 7.194 1.00 0.00 O ATOM 1677 CB HIS B 118 7.927 -1.702 8.164 1.00 0.00 C ATOM 1678 CG HIS B 118 7.019 -0.641 7.605 1.00 0.00 C ATOM 1679 ND1 HIS B 118 5.866 -0.938 6.925 1.00 0.00 N ATOM 1680 CD2 HIS B 118 7.125 0.707 7.552 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.320 0.159 6.478 1.00 0.00 C ATOM 1682 NE2 HIS B 118 6.056 1.150 6.843 1.00 0.00 N ATOM 0 H HIS B 118 7.121 -3.927 7.247 1.00 0.00 H new ATOM 0 HA HIS B 118 8.802 -1.776 6.260 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.351 -2.379 8.795 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.681 -1.238 8.800 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.491 -1.877 6.789 1.00 0.00 H new ATOM 0 HD2 HIS B 118 7.907 1.311 7.988 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.409 0.224 5.902 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.863 2.129 6.630 1.00 0.00 H new ATOM 1691 N GLU B 119 10.003 -4.274 7.949 1.00 0.00 N ATOM 1692 CA GLU B 119 11.252 -4.995 8.099 1.00 0.00 C ATOM 1693 C GLU B 119 11.874 -5.191 6.727 1.00 0.00 C ATOM 1694 O GLU B 119 13.030 -4.870 6.509 1.00 0.00 O ATOM 1695 CB GLU B 119 11.078 -6.360 8.777 1.00 0.00 C ATOM 1696 CG GLU B 119 11.128 -6.337 10.294 1.00 0.00 C ATOM 1697 CD GLU B 119 9.882 -5.830 10.969 1.00 0.00 C ATOM 1698 OE1 GLU B 119 9.779 -4.621 11.232 1.00 0.00 O ATOM 1699 OE2 GLU B 119 9.009 -6.667 11.322 1.00 0.00 O ATOM 0 H GLU B 119 9.178 -4.777 8.277 1.00 0.00 H new ATOM 0 HA GLU B 119 11.898 -4.399 8.744 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.123 -6.783 8.467 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.857 -7.031 8.413 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.329 -7.347 10.650 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.968 -5.716 10.604 1.00 0.00 H new ATOM 1706 N GLU B 120 11.054 -5.665 5.784 1.00 0.00 N ATOM 1707 CA GLU B 120 11.478 -5.869 4.390 1.00 0.00 C ATOM 1708 C GLU B 120 12.001 -4.570 3.785 1.00 0.00 C ATOM 1709 O GLU B 120 12.939 -4.584 3.012 1.00 0.00 O ATOM 1710 CB GLU B 120 10.318 -6.365 3.528 1.00 0.00 C ATOM 1711 CG GLU B 120 9.758 -7.733 3.892 1.00 0.00 C ATOM 1712 CD GLU B 120 10.774 -8.843 3.823 1.00 0.00 C ATOM 1713 OE1 GLU B 120 11.243 -9.167 2.725 1.00 0.00 O ATOM 1714 OE2 GLU B 120 11.065 -9.446 4.858 1.00 0.00 O ATOM 0 H GLU B 120 10.082 -5.918 5.961 1.00 0.00 H new ATOM 0 HA GLU B 120 12.270 -6.617 4.405 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.510 -5.636 3.586 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.648 -6.393 2.490 1.00 0.00 H new ATOM 0 HG2 GLU B 120 9.348 -7.691 4.901 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.931 -7.967 3.221 1.00 0.00 H new ATOM 1721 N ALA B 121 11.359 -3.466 4.128 1.00 0.00 N ATOM 1722 CA ALA B 121 11.767 -2.137 3.669 1.00 0.00 C ATOM 1723 C ALA B 121 13.148 -1.773 4.196 1.00 0.00 C ATOM 1724 O ALA B 121 13.970 -1.224 3.470 1.00 0.00 O ATOM 1725 CB ALA B 121 10.746 -1.082 4.070 1.00 0.00 C ATOM 0 H ALA B 121 10.538 -3.460 4.733 1.00 0.00 H new ATOM 0 HA ALA B 121 11.817 -2.166 2.581 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.075 -0.105 3.716 1.00 0.00 H new ATOM 0 HB2 ALA B 121 9.780 -1.323 3.626 1.00 0.00 H new ATOM 0 HB3 ALA B 121 10.651 -1.062 5.156 1.00 0.00 H new ATOM 1731 N GLU B 122 13.404 -2.099 5.449 1.00 0.00 N ATOM 1732 CA GLU B 122 14.700 -1.866 6.049 1.00 0.00 C ATOM 1733 C GLU B 122 15.738 -2.764 5.408 1.00 0.00 C ATOM 1734 O GLU B 122 16.867 -2.357 5.187 1.00 0.00 O ATOM 1735 CB GLU B 122 14.661 -2.132 7.538 1.00 0.00 C ATOM 1736 CG GLU B 122 13.836 -1.160 8.339 1.00 0.00 C ATOM 1737 CD GLU B 122 13.867 -1.490 9.801 1.00 0.00 C ATOM 1738 OE1 GLU B 122 14.973 -1.624 10.368 1.00 0.00 O ATOM 1739 OE2 GLU B 122 12.799 -1.637 10.420 1.00 0.00 O ATOM 0 H GLU B 122 12.723 -2.530 6.074 1.00 0.00 H new ATOM 0 HA GLU B 122 14.965 -0.822 5.885 1.00 0.00 H new ATOM 0 HB2 GLU B 122 14.271 -3.137 7.702 1.00 0.00 H new ATOM 0 HB3 GLU B 122 15.682 -2.120 7.920 1.00 0.00 H new ATOM 0 HG2 GLU B 122 14.212 -0.148 8.185 1.00 0.00 H new ATOM 0 HG3 GLU B 122 12.806 -1.175 7.983 1.00 0.00 H new ATOM 1746 N LEU B 123 15.341 -3.983 5.137 1.00 0.00 N ATOM 1747 CA LEU B 123 16.178 -4.956 4.452 1.00 0.00 C ATOM 1748 C LEU B 123 16.464 -4.509 3.016 1.00 0.00 C ATOM 1749 O LEU B 123 17.567 -4.685 2.499 1.00 0.00 O ATOM 1750 CB LEU B 123 15.512 -6.344 4.502 1.00 0.00 C ATOM 1751 CG LEU B 123 15.838 -7.243 5.724 1.00 0.00 C ATOM 1752 CD1 LEU B 123 15.597 -6.537 7.051 1.00 0.00 C ATOM 1753 CD2 LEU B 123 15.017 -8.513 5.665 1.00 0.00 C ATOM 0 H LEU B 123 14.418 -4.338 5.386 1.00 0.00 H new ATOM 0 HA LEU B 123 17.139 -5.026 4.961 1.00 0.00 H new ATOM 0 HB2 LEU B 123 14.432 -6.202 4.466 1.00 0.00 H new ATOM 0 HB3 LEU B 123 15.793 -6.886 3.599 1.00 0.00 H new ATOM 0 HG LEU B 123 16.900 -7.481 5.671 1.00 0.00 H new ATOM 0 HD11 LEU B 123 15.841 -7.212 7.872 1.00 0.00 H new ATOM 0 HD12 LEU B 123 16.227 -5.650 7.111 1.00 0.00 H new ATOM 0 HD13 LEU B 123 14.550 -6.243 7.122 1.00 0.00 H new ATOM 0 HD21 LEU B 123 15.252 -9.138 6.526 1.00 0.00 H new ATOM 0 HD22 LEU B 123 13.956 -8.262 5.678 1.00 0.00 H new ATOM 0 HD23 LEU B 123 15.251 -9.055 4.749 1.00 0.00 H new ATOM 1765 N GLU B 124 15.478 -3.885 2.411 1.00 0.00 N ATOM 1766 CA GLU B 124 15.580 -3.345 1.070 1.00 0.00 C ATOM 1767 C GLU B 124 16.583 -2.187 1.100 1.00 0.00 C ATOM 1768 O GLU B 124 17.509 -2.120 0.295 1.00 0.00 O ATOM 1769 CB GLU B 124 14.212 -2.809 0.629 1.00 0.00 C ATOM 1770 CG GLU B 124 14.038 -2.652 -0.865 1.00 0.00 C ATOM 1771 CD GLU B 124 13.554 -3.925 -1.526 1.00 0.00 C ATOM 1772 OE1 GLU B 124 14.049 -5.017 -1.214 1.00 0.00 O ATOM 1773 OE2 GLU B 124 12.625 -3.849 -2.350 1.00 0.00 O ATOM 0 H GLU B 124 14.566 -3.735 2.843 1.00 0.00 H new ATOM 0 HA GLU B 124 15.905 -4.119 0.375 1.00 0.00 H new ATOM 0 HB2 GLU B 124 13.438 -3.481 1.001 1.00 0.00 H new ATOM 0 HB3 GLU B 124 14.048 -1.841 1.102 1.00 0.00 H new ATOM 0 HG2 GLU B 124 13.327 -1.850 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU B 124 14.987 -2.353 -1.309 1.00 0.00 H new ATOM 1780 N ARG B 125 16.408 -1.312 2.082 1.00 0.00 N ATOM 1781 CA ARG B 125 17.271 -0.152 2.279 1.00 0.00 C ATOM 1782 C ARG B 125 18.686 -0.579 2.705 1.00 0.00 C ATOM 1783 O ARG B 125 19.659 0.175 2.567 1.00 0.00 O ATOM 1784 CB ARG B 125 16.644 0.833 3.289 1.00 0.00 C ATOM 1785 CG ARG B 125 17.470 2.095 3.524 1.00 0.00 C ATOM 1786 CD ARG B 125 16.719 3.134 4.340 1.00 0.00 C ATOM 1787 NE ARG B 125 15.659 3.792 3.563 1.00 0.00 N ATOM 1788 CZ ARG B 125 14.632 4.469 4.069 1.00 0.00 C ATOM 1789 NH1 ARG B 125 14.411 4.491 5.381 1.00 0.00 N ATOM 1790 NH2 ARG B 125 13.817 5.115 3.253 1.00 0.00 N ATOM 0 H ARG B 125 15.658 -1.387 2.770 1.00 0.00 H new ATOM 0 HA ARG B 125 17.364 0.368 1.326 1.00 0.00 H new ATOM 0 HB2 ARG B 125 15.655 1.120 2.933 1.00 0.00 H new ATOM 0 HB3 ARG B 125 16.504 0.321 4.241 1.00 0.00 H new ATOM 0 HG2 ARG B 125 18.394 1.831 4.039 1.00 0.00 H new ATOM 0 HG3 ARG B 125 17.752 2.526 2.563 1.00 0.00 H new ATOM 0 HD2 ARG B 125 16.281 2.657 5.217 1.00 0.00 H new ATOM 0 HD3 ARG B 125 17.421 3.885 4.702 1.00 0.00 H new ATOM 0 HE ARG B 125 15.716 3.723 2.547 1.00 0.00 H new ATOM 0 HH11 ARG B 125 15.033 3.985 6.011 1.00 0.00 H new ATOM 0 HH12 ARG B 125 13.620 5.014 5.756 1.00 0.00 H new ATOM 0 HH21 ARG B 125 13.979 5.091 2.246 1.00 0.00 H new ATOM 0 HH22 ARG B 125 13.026 5.637 3.630 1.00 0.00 H new ATOM 1804 N LEU B 126 18.794 -1.780 3.206 1.00 0.00 N ATOM 1805 CA LEU B 126 20.058 -2.329 3.606 1.00 0.00 C ATOM 1806 C LEU B 126 20.858 -2.743 2.374 1.00 0.00 C ATOM 1807 O LEU B 126 22.078 -2.581 2.335 1.00 0.00 O ATOM 1808 CB LEU B 126 19.852 -3.528 4.536 1.00 0.00 C ATOM 1809 CG LEU B 126 21.113 -4.174 5.118 1.00 0.00 C ATOM 1810 CD1 LEU B 126 21.858 -3.202 6.026 1.00 0.00 C ATOM 1811 CD2 LEU B 126 20.752 -5.438 5.873 1.00 0.00 C ATOM 0 H LEU B 126 18.002 -2.407 3.348 1.00 0.00 H new ATOM 0 HA LEU B 126 20.616 -1.566 4.150 1.00 0.00 H new ATOM 0 HB2 LEU B 126 19.219 -3.211 5.365 1.00 0.00 H new ATOM 0 HB3 LEU B 126 19.300 -4.292 3.988 1.00 0.00 H new ATOM 0 HG LEU B 126 21.775 -4.435 4.293 1.00 0.00 H new ATOM 0 HD11 LEU B 126 22.749 -3.687 6.425 1.00 0.00 H new ATOM 0 HD12 LEU B 126 22.150 -2.321 5.454 1.00 0.00 H new ATOM 0 HD13 LEU B 126 21.209 -2.902 6.849 1.00 0.00 H new ATOM 0 HD21 LEU B 126 21.656 -5.888 6.282 1.00 0.00 H new ATOM 0 HD22 LEU B 126 20.069 -5.193 6.686 1.00 0.00 H new ATOM 0 HD23 LEU B 126 20.271 -6.142 5.194 1.00 0.00 H new ATOM 1823 N LYS B 127 20.171 -3.249 1.356 1.00 0.00 N ATOM 1824 CA LYS B 127 20.845 -3.681 0.167 1.00 0.00 C ATOM 1825 C LYS B 127 20.932 -2.548 -0.855 1.00 0.00 C ATOM 1826 O LYS B 127 21.726 -2.597 -1.795 1.00 0.00 O ATOM 1827 CB LYS B 127 20.197 -4.958 -0.422 1.00 0.00 C ATOM 1828 CG LYS B 127 18.772 -4.814 -0.939 1.00 0.00 C ATOM 1829 CD LYS B 127 18.238 -6.163 -1.414 1.00 0.00 C ATOM 1830 CE LYS B 127 16.827 -6.054 -1.972 1.00 0.00 C ATOM 1831 NZ LYS B 127 16.281 -7.374 -2.364 1.00 0.00 N ATOM 0 H LYS B 127 19.158 -3.364 1.342 1.00 0.00 H new ATOM 0 HA LYS B 127 21.867 -3.949 0.437 1.00 0.00 H new ATOM 0 HB2 LYS B 127 20.824 -5.314 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS B 127 20.206 -5.732 0.346 1.00 0.00 H new ATOM 0 HG2 LYS B 127 18.131 -4.419 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS B 127 18.747 -4.097 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS B 127 18.901 -6.566 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS B 127 18.246 -6.869 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS B 127 16.176 -5.600 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS B 127 16.830 -5.391 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 15.318 -7.254 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 16.887 -7.797 -3.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 16.254 -7.999 -1.533 1.00 0.00 H new ATOM 1845 N SER B 128 20.100 -1.547 -0.682 1.00 0.00 N ATOM 1846 CA SER B 128 20.091 -0.378 -1.527 1.00 0.00 C ATOM 1847 C SER B 128 19.714 0.837 -0.688 1.00 0.00 C ATOM 1848 O SER B 128 18.599 0.922 -0.175 1.00 0.00 O ATOM 1849 CB SER B 128 19.102 -0.590 -2.672 1.00 0.00 C ATOM 1850 OG SER B 128 19.453 -1.763 -3.398 1.00 0.00 O ATOM 0 H SER B 128 19.401 -1.523 0.060 1.00 0.00 H new ATOM 0 HA SER B 128 21.078 -0.209 -1.957 1.00 0.00 H new ATOM 0 HB2 SER B 128 18.090 -0.683 -2.278 1.00 0.00 H new ATOM 0 HB3 SER B 128 19.108 0.275 -3.335 1.00 0.00 H new ATOM 0 HG SER B 128 18.816 -1.897 -4.131 1.00 0.00 H new ATOM 1856 N GLU B 129 20.641 1.760 -0.548 1.00 0.00 N ATOM 1857 CA GLU B 129 20.469 2.916 0.317 1.00 0.00 C ATOM 1858 C GLU B 129 19.564 3.968 -0.319 1.00 0.00 C ATOM 1859 O GLU B 129 20.027 4.906 -0.974 1.00 0.00 O ATOM 1860 CB GLU B 129 21.826 3.505 0.690 1.00 0.00 C ATOM 1861 CG GLU B 129 22.756 2.492 1.329 1.00 0.00 C ATOM 1862 CD GLU B 129 24.116 3.048 1.633 1.00 0.00 C ATOM 1863 OE1 GLU B 129 24.930 3.167 0.705 1.00 0.00 O ATOM 1864 OE2 GLU B 129 24.403 3.351 2.820 1.00 0.00 O ATOM 0 H GLU B 129 21.539 1.733 -1.031 1.00 0.00 H new ATOM 0 HA GLU B 129 19.975 2.583 1.230 1.00 0.00 H new ATOM 0 HB2 GLU B 129 22.299 3.910 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU B 129 21.678 4.338 1.377 1.00 0.00 H new ATOM 0 HG2 GLU B 129 22.306 2.126 2.252 1.00 0.00 H new ATOM 0 HG3 GLU B 129 22.861 1.635 0.664 1.00 0.00 H new ATOM 1871 N TYR B 130 18.290 3.732 -0.211 1.00 0.00 N ATOM 1872 CA TYR B 130 17.283 4.606 -0.678 1.00 0.00 C ATOM 1873 C TYR B 130 16.392 4.979 0.480 1.00 0.00 C ATOM 1874 O TYR B 130 16.585 6.063 1.049 1.00 0.00 O ATOM 1875 CB TYR B 130 16.477 3.942 -1.790 1.00 0.00 C ATOM 1876 CG TYR B 130 17.178 3.858 -3.130 1.00 0.00 C ATOM 1877 CD1 TYR B 130 18.118 2.873 -3.395 1.00 0.00 C ATOM 1878 CD2 TYR B 130 16.889 4.770 -4.135 1.00 0.00 C ATOM 1879 CE1 TYR B 130 18.749 2.800 -4.621 1.00 0.00 C ATOM 1880 CE2 TYR B 130 17.513 4.705 -5.360 1.00 0.00 C ATOM 1881 CZ TYR B 130 18.443 3.720 -5.598 1.00 0.00 C ATOM 1882 OH TYR B 130 19.061 3.645 -6.829 1.00 0.00 O ATOM 1883 OXT TYR B 130 15.534 4.163 0.873 1.00 0.00 O ATOM 0 H TYR B 130 17.920 2.887 0.225 1.00 0.00 H new ATOM 0 HA TYR B 130 17.737 5.507 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.212 2.934 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR B 130 15.544 4.491 -1.919 1.00 0.00 H new ATOM 0 HD1 TYR B 130 18.360 2.151 -2.629 1.00 0.00 H new ATOM 0 HD2 TYR B 130 16.160 5.546 -3.952 1.00 0.00 H new ATOM 0 HE1 TYR B 130 19.478 2.026 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.274 5.423 -6.130 1.00 0.00 H new ATOM 0 HH TYR B 130 18.733 4.367 -7.404 1.00 0.00 H new TER 1893 TYR B 130