USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 CYS SG : rot 180:sc= -0.991 USER MOD Set 1.2: A 75 CYS SG : rot -55:sc= -1.28 USER MOD Set 1.3: A 88 HIS : no HD1:sc= -0.337 K(o=-4.1,f=-9!) USER MOD Set 1.4: A 89 GLN : amide:sc= -1.52 K(o=-4.1,f=-3.1) USER MOD Set 1.5: A 93 HIS : no HD1:sc=-0.00135 K(o=-4.1,f=-3.1) USER MOD Set 2.1: A 71 THR OG1 : rot 98:sc= 1.06 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 CYS SG : rot 180:sc= -0.677 USER MOD Set 3.2: A 48 CYS SG : rot -51:sc= -4.92! USER MOD Set 3.3: A 61 HIS : no HD1:sc= -1.35! C(o=-7.7!,f=-14!) USER MOD Set 3.4: A 65 CYS SG : rot 60:sc= -0.78 USER MOD Set 4.1: A 19 CYS SG : rot 80:sc= -0.838 USER MOD Set 4.2: A 22 CYS SG : rot -40:sc= 0.189 USER MOD Set 4.3: A 35 HIS : no HD1:sc= -0.442 K(o=-2.1,f=-3.1) USER MOD Set 4.4: A 39 CYS SG : rot -29:sc= -1.02 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 34:sc= 1.18 USER MOD Single : A 32 GLN : amide:sc= -0.631 K(o=-0.63,f=-2.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.58! C(o=-3.6!,f=-15!) USER MOD Single : A 47 TYR OH : rot 150:sc= -0.271 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 91:sc= 0.0862 USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= -3.27 (180deg=-3.3) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 63 SER OG : rot 85:sc= 0.004 USER MOD Single : A 64 LYS NZ :NH3+ -128:sc= -1.36 (180deg=-2.73!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -166:sc= -3.35 (180deg=-3.87) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.326 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.8!) USER MOD Single : A 95 GLN : amide:sc= -0.075 K(o=-0.075,f=-1.8!) USER MOD Single : A 96 ASN : amide:sc=-0.00906 X(o=-0.0091,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -15.371 -43.164 -0.859 1.00 0.00 N ATOM 9 CA SER A 2 -16.531 -42.759 -1.645 1.00 0.00 C ATOM 10 C SER A 2 -16.553 -41.246 -1.840 1.00 0.00 C ATOM 11 O SER A 2 -15.744 -40.522 -1.259 1.00 0.00 O ATOM 12 CB SER A 2 -17.822 -43.215 -0.963 1.00 0.00 C ATOM 13 OG SER A 2 -18.175 -42.343 0.097 1.00 0.00 O ATOM 0 HA SER A 2 -16.459 -43.234 -2.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.630 -43.250 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.696 -44.227 -0.579 1.00 0.00 H new ATOM 0 HG SER A 2 -19.004 -42.656 0.515 1.00 0.00 H new ATOM 19 N SER A 3 -17.485 -40.775 -2.662 1.00 0.00 N ATOM 20 CA SER A 3 -17.612 -39.349 -2.938 1.00 0.00 C ATOM 21 C SER A 3 -19.066 -38.901 -2.827 1.00 0.00 C ATOM 22 O SER A 3 -19.988 -39.696 -3.003 1.00 0.00 O ATOM 23 CB SER A 3 -17.072 -39.027 -4.333 1.00 0.00 C ATOM 24 OG SER A 3 -15.665 -38.860 -4.309 1.00 0.00 O ATOM 0 H SER A 3 -18.164 -41.361 -3.149 1.00 0.00 H new ATOM 0 HA SER A 3 -17.026 -38.807 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.334 -39.830 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.543 -38.118 -4.708 1.00 0.00 H new ATOM 0 HG SER A 3 -15.344 -38.657 -5.212 1.00 0.00 H new ATOM 30 N GLY A 4 -19.263 -37.619 -2.533 1.00 0.00 N ATOM 31 CA GLY A 4 -20.607 -37.086 -2.403 1.00 0.00 C ATOM 32 C GLY A 4 -21.002 -36.217 -3.580 1.00 0.00 C ATOM 33 O GLY A 4 -20.277 -36.135 -4.571 1.00 0.00 O ATOM 0 H GLY A 4 -18.516 -36.941 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.314 -37.910 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.676 -36.502 -1.485 1.00 0.00 H new ATOM 37 N SER A 5 -22.157 -35.568 -3.473 1.00 0.00 N ATOM 38 CA SER A 5 -22.651 -34.705 -4.539 1.00 0.00 C ATOM 39 C SER A 5 -23.255 -33.426 -3.968 1.00 0.00 C ATOM 40 O SER A 5 -23.442 -33.301 -2.758 1.00 0.00 O ATOM 41 CB SER A 5 -23.693 -35.443 -5.381 1.00 0.00 C ATOM 42 OG SER A 5 -23.074 -36.263 -6.357 1.00 0.00 O ATOM 0 H SER A 5 -22.768 -35.624 -2.658 1.00 0.00 H new ATOM 0 HA SER A 5 -21.807 -34.435 -5.174 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.321 -36.055 -4.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.347 -34.721 -5.870 1.00 0.00 H new ATOM 0 HG SER A 5 -23.762 -36.725 -6.880 1.00 0.00 H new ATOM 48 N SER A 6 -23.559 -32.477 -4.848 1.00 0.00 N ATOM 49 CA SER A 6 -24.138 -31.206 -4.432 1.00 0.00 C ATOM 50 C SER A 6 -25.562 -31.058 -4.962 1.00 0.00 C ATOM 51 O SER A 6 -25.849 -31.405 -6.106 1.00 0.00 O ATOM 52 CB SER A 6 -23.276 -30.042 -4.926 1.00 0.00 C ATOM 53 OG SER A 6 -23.445 -29.837 -6.318 1.00 0.00 O ATOM 0 H SER A 6 -23.414 -32.565 -5.854 1.00 0.00 H new ATOM 0 HA SER A 6 -24.170 -31.189 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.543 -29.133 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.227 -30.245 -4.710 1.00 0.00 H new ATOM 0 HG SER A 6 -22.885 -29.087 -6.609 1.00 0.00 H new ATOM 59 N GLY A 7 -26.450 -30.541 -4.118 1.00 0.00 N ATOM 60 CA GLY A 7 -27.833 -30.357 -4.517 1.00 0.00 C ATOM 61 C GLY A 7 -27.980 -29.375 -5.662 1.00 0.00 C ATOM 62 O GLY A 7 -26.987 -28.928 -6.237 1.00 0.00 O ATOM 0 H GLY A 7 -26.236 -30.246 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.254 -31.318 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.410 -30.004 -3.663 1.00 0.00 H new ATOM 66 N ALA A 8 -29.221 -29.039 -5.997 1.00 0.00 N ATOM 67 CA ALA A 8 -29.494 -28.104 -7.080 1.00 0.00 C ATOM 68 C ALA A 8 -30.581 -27.109 -6.686 1.00 0.00 C ATOM 69 O ALA A 8 -31.403 -27.387 -5.813 1.00 0.00 O ATOM 70 CB ALA A 8 -29.898 -28.857 -8.339 1.00 0.00 C ATOM 0 H ALA A 8 -30.054 -29.401 -5.533 1.00 0.00 H new ATOM 0 HA ALA A 8 -28.581 -27.544 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -30.099 -28.145 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.089 -29.523 -8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -30.796 -29.443 -8.140 1.00 0.00 H new ATOM 76 N SER A 9 -30.578 -25.949 -7.335 1.00 0.00 N ATOM 77 CA SER A 9 -31.561 -24.910 -7.049 1.00 0.00 C ATOM 78 C SER A 9 -31.884 -24.107 -8.305 1.00 0.00 C ATOM 79 O SER A 9 -31.005 -23.757 -9.092 1.00 0.00 O ATOM 80 CB SER A 9 -31.044 -23.977 -5.952 1.00 0.00 C ATOM 81 OG SER A 9 -29.991 -23.160 -6.433 1.00 0.00 O ATOM 0 H SER A 9 -29.906 -25.705 -8.062 1.00 0.00 H new ATOM 0 HA SER A 9 -32.475 -25.394 -6.704 1.00 0.00 H new ATOM 0 HB2 SER A 9 -31.859 -23.350 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 9 -30.694 -24.566 -5.104 1.00 0.00 H new ATOM 0 HG SER A 9 -29.679 -22.572 -5.714 1.00 0.00 H new ATOM 87 N PRO A 10 -33.178 -23.808 -8.498 1.00 0.00 N ATOM 88 CA PRO A 10 -33.648 -23.042 -9.656 1.00 0.00 C ATOM 89 C PRO A 10 -33.217 -21.581 -9.599 1.00 0.00 C ATOM 90 O PRO A 10 -33.619 -20.839 -8.702 1.00 0.00 O ATOM 91 CB PRO A 10 -35.172 -23.155 -9.560 1.00 0.00 C ATOM 92 CG PRO A 10 -35.444 -23.392 -8.115 1.00 0.00 C ATOM 93 CD PRO A 10 -34.280 -24.193 -7.601 1.00 0.00 C ATOM 0 HA PRO A 10 -33.236 -23.422 -10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -35.659 -22.245 -9.910 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -35.548 -23.974 -10.173 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.538 -22.449 -7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -36.381 -23.932 -7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -34.055 -23.953 -6.562 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -34.478 -25.264 -7.645 1.00 0.00 H new ATOM 101 N VAL A 11 -32.397 -21.172 -10.562 1.00 0.00 N ATOM 102 CA VAL A 11 -31.913 -19.798 -10.622 1.00 0.00 C ATOM 103 C VAL A 11 -31.888 -19.287 -12.058 1.00 0.00 C ATOM 104 O VAL A 11 -31.404 -19.968 -12.961 1.00 0.00 O ATOM 105 CB VAL A 11 -30.501 -19.674 -10.020 1.00 0.00 C ATOM 106 CG1 VAL A 11 -29.514 -20.540 -10.789 1.00 0.00 C ATOM 107 CG2 VAL A 11 -30.052 -18.221 -10.010 1.00 0.00 C ATOM 0 H VAL A 11 -32.054 -21.773 -11.311 1.00 0.00 H new ATOM 0 HA VAL A 11 -32.604 -19.193 -10.036 1.00 0.00 H new ATOM 0 HB VAL A 11 -30.532 -20.028 -8.990 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -28.522 -20.439 -10.349 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -29.829 -21.582 -10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -29.483 -20.220 -11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -29.052 -18.152 -9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -30.037 -17.838 -11.030 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -30.745 -17.630 -9.411 1.00 0.00 H new ATOM 117 N GLU A 12 -32.412 -18.082 -12.260 1.00 0.00 N ATOM 118 CA GLU A 12 -32.450 -17.479 -13.588 1.00 0.00 C ATOM 119 C GLU A 12 -31.117 -16.815 -13.922 1.00 0.00 C ATOM 120 O GLU A 12 -30.517 -16.147 -13.081 1.00 0.00 O ATOM 121 CB GLU A 12 -33.580 -16.451 -13.674 1.00 0.00 C ATOM 122 CG GLU A 12 -33.316 -15.188 -12.872 1.00 0.00 C ATOM 123 CD GLU A 12 -34.480 -14.217 -12.913 1.00 0.00 C ATOM 124 OE1 GLU A 12 -34.832 -13.760 -14.021 1.00 0.00 O ATOM 125 OE2 GLU A 12 -35.039 -13.914 -11.839 1.00 0.00 O ATOM 0 H GLU A 12 -32.816 -17.505 -11.522 1.00 0.00 H new ATOM 0 HA GLU A 12 -32.634 -18.271 -14.314 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -33.736 -16.182 -14.719 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -34.504 -16.909 -13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -33.108 -15.457 -11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -32.424 -14.696 -13.259 1.00 0.00 H new ATOM 199 N TYR A 17 -21.310 -7.163 -12.185 1.00 0.00 N ATOM 200 CA TYR A 17 -20.022 -6.519 -12.419 1.00 0.00 C ATOM 201 C TYR A 17 -19.169 -6.533 -11.154 1.00 0.00 C ATOM 202 O TYR A 17 -19.407 -5.763 -10.224 1.00 0.00 O ATOM 203 CB TYR A 17 -20.226 -5.080 -12.894 1.00 0.00 C ATOM 204 CG TYR A 17 -21.181 -4.956 -14.060 1.00 0.00 C ATOM 205 CD1 TYR A 17 -21.298 -5.974 -14.998 1.00 0.00 C ATOM 206 CD2 TYR A 17 -21.967 -3.822 -14.222 1.00 0.00 C ATOM 207 CE1 TYR A 17 -22.168 -5.865 -16.065 1.00 0.00 C ATOM 208 CE2 TYR A 17 -22.842 -3.705 -15.285 1.00 0.00 C ATOM 209 CZ TYR A 17 -22.938 -4.729 -16.204 1.00 0.00 C ATOM 210 OH TYR A 17 -23.808 -4.617 -17.265 1.00 0.00 O ATOM 0 HA TYR A 17 -19.500 -7.079 -13.194 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.601 -4.482 -12.063 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.261 -4.660 -13.179 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -20.698 -6.866 -14.891 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -21.893 -3.018 -13.505 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -22.245 -6.665 -16.787 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -23.447 -2.817 -15.396 1.00 0.00 H new ATOM 0 HH TYR A 17 -24.275 -3.757 -17.216 1.00 0.00 H new ATOM 220 N GLN A 18 -18.175 -7.415 -11.129 1.00 0.00 N ATOM 221 CA GLN A 18 -17.286 -7.530 -9.979 1.00 0.00 C ATOM 222 C GLN A 18 -15.983 -6.774 -10.220 1.00 0.00 C ATOM 223 O GLN A 18 -15.518 -6.664 -11.354 1.00 0.00 O ATOM 224 CB GLN A 18 -16.988 -9.001 -9.682 1.00 0.00 C ATOM 225 CG GLN A 18 -17.929 -9.618 -8.661 1.00 0.00 C ATOM 226 CD GLN A 18 -18.142 -11.102 -8.885 1.00 0.00 C ATOM 227 OE1 GLN A 18 -19.224 -11.532 -9.288 1.00 0.00 O ATOM 228 NE2 GLN A 18 -17.109 -11.895 -8.625 1.00 0.00 N ATOM 0 H GLN A 18 -17.965 -8.060 -11.891 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.788 -7.088 -9.119 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.048 -9.570 -10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.964 -9.090 -9.320 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.527 -9.460 -7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.891 -9.106 -8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.231 -11.496 -8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.194 -12.903 -8.758 1.00 0.00 H new ATOM 237 N CYS A 19 -15.399 -6.254 -9.145 1.00 0.00 N ATOM 238 CA CYS A 19 -14.151 -5.507 -9.239 1.00 0.00 C ATOM 239 C CYS A 19 -12.972 -6.447 -9.477 1.00 0.00 C ATOM 240 O CYS A 19 -12.863 -7.496 -8.842 1.00 0.00 O ATOM 241 CB CYS A 19 -13.921 -4.696 -7.963 1.00 0.00 C ATOM 242 SG CYS A 19 -12.350 -3.773 -7.942 1.00 0.00 S ATOM 0 H CYS A 19 -15.771 -6.337 -8.199 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.227 -4.825 -10.086 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -14.745 -3.993 -7.838 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -13.945 -5.371 -7.107 1.00 0.00 H new ATOM 0 HG CYS A 19 -12.479 -2.681 -8.636 1.00 0.00 H new ATOM 247 N ARG A 20 -12.092 -6.062 -10.396 1.00 0.00 N ATOM 248 CA ARG A 20 -10.922 -6.869 -10.719 1.00 0.00 C ATOM 249 C ARG A 20 -9.794 -6.615 -9.723 1.00 0.00 C ATOM 250 O ARG A 20 -8.623 -6.856 -10.019 1.00 0.00 O ATOM 251 CB ARG A 20 -10.441 -6.564 -12.138 1.00 0.00 C ATOM 252 CG ARG A 20 -11.431 -6.973 -13.217 1.00 0.00 C ATOM 253 CD ARG A 20 -11.506 -8.486 -13.360 1.00 0.00 C ATOM 254 NE ARG A 20 -10.457 -9.006 -14.233 1.00 0.00 N ATOM 255 CZ ARG A 20 -10.506 -10.202 -14.808 1.00 0.00 C ATOM 256 NH1 ARG A 20 -11.547 -10.997 -14.605 1.00 0.00 N ATOM 257 NH2 ARG A 20 -9.512 -10.605 -15.590 1.00 0.00 N ATOM 0 H ARG A 20 -12.168 -5.196 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.209 -7.919 -10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.243 -5.496 -12.224 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.495 -7.078 -12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.418 -6.580 -12.974 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.137 -6.531 -14.169 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.421 -8.948 -12.376 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.481 -8.764 -13.759 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.642 -8.419 -14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.313 -10.691 -14.006 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.582 -11.915 -15.048 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.710 -9.996 -15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.551 -11.524 -16.031 1.00 0.00 H new ATOM 271 N LEU A 21 -10.154 -6.125 -8.542 1.00 0.00 N ATOM 272 CA LEU A 21 -9.173 -5.837 -7.501 1.00 0.00 C ATOM 273 C LEU A 21 -9.524 -6.561 -6.206 1.00 0.00 C ATOM 274 O LEU A 21 -8.667 -7.182 -5.577 1.00 0.00 O ATOM 275 CB LEU A 21 -9.094 -4.330 -7.251 1.00 0.00 C ATOM 276 CG LEU A 21 -9.023 -3.445 -8.496 1.00 0.00 C ATOM 277 CD1 LEU A 21 -9.171 -1.980 -8.119 1.00 0.00 C ATOM 278 CD2 LEU A 21 -7.716 -3.677 -9.241 1.00 0.00 C ATOM 0 H LEU A 21 -11.118 -5.919 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.202 -6.194 -7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.966 -4.033 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.216 -4.130 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.847 -3.713 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.118 -1.366 -9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.133 -1.825 -7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.368 -1.697 -7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.682 -3.039 -10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.877 -3.437 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.651 -4.722 -9.545 1.00 0.00 H new ATOM 290 N CYS A 22 -10.791 -6.480 -5.813 1.00 0.00 N ATOM 291 CA CYS A 22 -11.257 -7.129 -4.594 1.00 0.00 C ATOM 292 C CYS A 22 -12.387 -8.109 -4.897 1.00 0.00 C ATOM 293 O CYS A 22 -12.836 -8.845 -4.019 1.00 0.00 O ATOM 294 CB CYS A 22 -11.733 -6.082 -3.584 1.00 0.00 C ATOM 295 SG CYS A 22 -12.979 -4.927 -4.242 1.00 0.00 S ATOM 0 H CYS A 22 -11.514 -5.971 -6.322 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.422 -7.685 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.149 -6.593 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.872 -5.511 -3.235 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.663 -4.594 -5.458 1.00 0.00 H new ATOM 300 N ASN A 23 -12.840 -8.113 -6.146 1.00 0.00 N ATOM 301 CA ASN A 23 -13.917 -9.003 -6.566 1.00 0.00 C ATOM 302 C ASN A 23 -15.209 -8.681 -5.822 1.00 0.00 C ATOM 303 O ASN A 23 -15.886 -9.577 -5.318 1.00 0.00 O ATOM 304 CB ASN A 23 -13.525 -10.461 -6.324 1.00 0.00 C ATOM 305 CG ASN A 23 -12.189 -10.813 -6.950 1.00 0.00 C ATOM 306 OD1 ASN A 23 -11.150 -10.762 -6.292 1.00 0.00 O ATOM 307 ND2 ASN A 23 -12.212 -11.172 -8.229 1.00 0.00 N ATOM 0 H ASN A 23 -12.478 -7.510 -6.885 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.085 -8.852 -7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.481 -10.649 -5.251 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.297 -11.114 -6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.344 -11.420 -8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.097 -11.200 -8.735 1.00 0.00 H new ATOM 314 N ALA A 24 -15.545 -7.397 -5.758 1.00 0.00 N ATOM 315 CA ALA A 24 -16.757 -6.957 -5.078 1.00 0.00 C ATOM 316 C ALA A 24 -17.869 -6.657 -6.077 1.00 0.00 C ATOM 317 O ALA A 24 -17.682 -5.885 -7.017 1.00 0.00 O ATOM 318 CB ALA A 24 -16.468 -5.732 -4.224 1.00 0.00 C ATOM 0 H ALA A 24 -14.995 -6.643 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.095 -7.766 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.382 -5.414 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.712 -5.978 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.103 -4.924 -4.858 1.00 0.00 H new ATOM 324 N LYS A 25 -19.027 -7.274 -5.869 1.00 0.00 N ATOM 325 CA LYS A 25 -20.171 -7.074 -6.751 1.00 0.00 C ATOM 326 C LYS A 25 -20.611 -5.613 -6.747 1.00 0.00 C ATOM 327 O LYS A 25 -20.930 -5.053 -5.698 1.00 0.00 O ATOM 328 CB LYS A 25 -21.335 -7.970 -6.322 1.00 0.00 C ATOM 329 CG LYS A 25 -21.154 -9.428 -6.706 1.00 0.00 C ATOM 330 CD LYS A 25 -22.419 -10.232 -6.455 1.00 0.00 C ATOM 331 CE LYS A 25 -22.146 -11.728 -6.496 1.00 0.00 C ATOM 332 NZ LYS A 25 -21.741 -12.255 -5.163 1.00 0.00 N ATOM 0 H LYS A 25 -19.198 -7.918 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.869 -7.342 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.457 -7.900 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.255 -7.596 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.881 -9.497 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.330 -9.856 -6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.835 -9.964 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.168 -9.977 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.040 -12.251 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.360 -11.934 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.564 -13.277 -5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.874 -11.774 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.502 -12.082 -4.475 1.00 0.00 H new ATOM 346 N LEU A 26 -20.629 -5.003 -7.927 1.00 0.00 N ATOM 347 CA LEU A 26 -21.032 -3.607 -8.060 1.00 0.00 C ATOM 348 C LEU A 26 -22.542 -3.492 -8.246 1.00 0.00 C ATOM 349 O LEU A 26 -23.264 -4.487 -8.178 1.00 0.00 O ATOM 350 CB LEU A 26 -20.310 -2.958 -9.242 1.00 0.00 C ATOM 351 CG LEU A 26 -18.950 -2.331 -8.935 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.024 -1.487 -7.672 1.00 0.00 C ATOM 353 CD2 LEU A 26 -17.885 -3.409 -8.797 1.00 0.00 C ATOM 0 H LEU A 26 -20.369 -5.453 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.757 -3.086 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -20.173 -3.712 -10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.958 -2.187 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.675 -1.681 -9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.047 -1.049 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.757 -0.692 -7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.321 -2.115 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.923 -2.945 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.154 -4.085 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.813 -3.971 -9.728 1.00 0.00 H new ATOM 365 N SER A 27 -23.012 -2.272 -8.484 1.00 0.00 N ATOM 366 CA SER A 27 -24.437 -2.026 -8.678 1.00 0.00 C ATOM 367 C SER A 27 -24.732 -1.668 -10.132 1.00 0.00 C ATOM 368 O SER A 27 -25.887 -1.665 -10.559 1.00 0.00 O ATOM 369 CB SER A 27 -24.912 -0.901 -7.757 1.00 0.00 C ATOM 370 OG SER A 27 -26.272 -1.075 -7.400 1.00 0.00 O ATOM 0 H SER A 27 -22.428 -1.438 -8.547 1.00 0.00 H new ATOM 0 HA SER A 27 -24.976 -2.940 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.297 -0.879 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.783 0.060 -8.255 1.00 0.00 H new ATOM 0 HG SER A 27 -26.551 -0.344 -6.810 1.00 0.00 H new ATOM 376 N SER A 28 -23.680 -1.368 -10.886 1.00 0.00 N ATOM 377 CA SER A 28 -23.826 -1.005 -12.291 1.00 0.00 C ATOM 378 C SER A 28 -22.462 -0.812 -12.947 1.00 0.00 C ATOM 379 O SER A 28 -21.450 -0.648 -12.265 1.00 0.00 O ATOM 380 CB SER A 28 -24.655 0.274 -12.426 1.00 0.00 C ATOM 381 OG SER A 28 -26.042 -0.013 -12.412 1.00 0.00 O ATOM 0 H SER A 28 -22.718 -1.369 -10.548 1.00 0.00 H new ATOM 0 HA SER A 28 -24.342 -1.819 -12.799 1.00 0.00 H new ATOM 0 HB2 SER A 28 -24.413 0.955 -11.610 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.395 0.783 -13.354 1.00 0.00 H new ATOM 0 HG SER A 28 -26.212 -0.779 -11.825 1.00 0.00 H new ATOM 387 N LEU A 29 -22.443 -0.834 -14.275 1.00 0.00 N ATOM 388 CA LEU A 29 -21.204 -0.662 -15.025 1.00 0.00 C ATOM 389 C LEU A 29 -20.413 0.533 -14.504 1.00 0.00 C ATOM 390 O LEU A 29 -19.197 0.456 -14.324 1.00 0.00 O ATOM 391 CB LEU A 29 -21.507 -0.477 -16.513 1.00 0.00 C ATOM 392 CG LEU A 29 -20.442 -0.989 -17.484 1.00 0.00 C ATOM 393 CD1 LEU A 29 -20.362 -2.507 -17.437 1.00 0.00 C ATOM 394 CD2 LEU A 29 -20.736 -0.511 -18.898 1.00 0.00 C ATOM 0 H LEU A 29 -23.271 -0.969 -14.855 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.600 -1.560 -14.892 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -22.447 -0.981 -16.737 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -21.662 0.585 -16.702 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.476 -0.586 -17.180 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -19.599 -2.853 -18.134 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -20.103 -2.827 -16.428 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -21.327 -2.931 -17.715 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -19.968 -0.885 -19.575 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -21.711 -0.884 -19.213 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.740 0.579 -18.920 1.00 0.00 H new ATOM 406 N LEU A 30 -21.111 1.637 -14.260 1.00 0.00 N ATOM 407 CA LEU A 30 -20.475 2.849 -13.756 1.00 0.00 C ATOM 408 C LEU A 30 -19.743 2.576 -12.446 1.00 0.00 C ATOM 409 O LEU A 30 -18.531 2.767 -12.350 1.00 0.00 O ATOM 410 CB LEU A 30 -21.518 3.949 -13.551 1.00 0.00 C ATOM 411 CG LEU A 30 -21.021 5.385 -13.717 1.00 0.00 C ATOM 412 CD1 LEU A 30 -21.150 5.830 -15.166 1.00 0.00 C ATOM 413 CD2 LEU A 30 -21.788 6.325 -12.799 1.00 0.00 C ATOM 0 H LEU A 30 -22.118 1.718 -14.403 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.746 3.181 -14.495 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -22.333 3.784 -14.255 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.936 3.844 -12.550 1.00 0.00 H new ATOM 0 HG LEU A 30 -19.967 5.418 -13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.792 6.855 -15.265 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.556 5.174 -15.802 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.196 5.780 -15.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -21.420 7.343 -12.931 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -22.849 6.288 -13.045 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -21.644 6.019 -11.763 1.00 0.00 H new ATOM 425 N GLU A 31 -20.487 2.125 -11.441 1.00 0.00 N ATOM 426 CA GLU A 31 -19.907 1.824 -10.137 1.00 0.00 C ATOM 427 C GLU A 31 -18.601 1.050 -10.288 1.00 0.00 C ATOM 428 O GLU A 31 -17.706 1.155 -9.450 1.00 0.00 O ATOM 429 CB GLU A 31 -20.895 1.019 -9.289 1.00 0.00 C ATOM 430 CG GLU A 31 -20.843 1.359 -7.809 1.00 0.00 C ATOM 431 CD GLU A 31 -21.724 2.541 -7.451 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.876 2.589 -7.929 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.260 3.417 -6.692 1.00 0.00 O ATOM 0 H GLU A 31 -21.492 1.960 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.693 2.768 -9.636 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.905 1.195 -9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.689 -0.044 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.154 0.490 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -19.814 1.579 -7.526 1.00 0.00 H new ATOM 440 N GLN A 32 -18.501 0.274 -11.363 1.00 0.00 N ATOM 441 CA GLN A 32 -17.305 -0.518 -11.623 1.00 0.00 C ATOM 442 C GLN A 32 -16.150 0.370 -12.074 1.00 0.00 C ATOM 443 O GLN A 32 -15.072 0.353 -11.482 1.00 0.00 O ATOM 444 CB GLN A 32 -17.592 -1.580 -12.686 1.00 0.00 C ATOM 445 CG GLN A 32 -16.549 -2.685 -12.740 1.00 0.00 C ATOM 446 CD GLN A 32 -16.841 -3.710 -13.817 1.00 0.00 C ATOM 447 OE1 GLN A 32 -17.755 -3.538 -14.624 1.00 0.00 O ATOM 448 NE2 GLN A 32 -16.062 -4.786 -13.837 1.00 0.00 N ATOM 0 H GLN A 32 -19.233 0.177 -12.067 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.018 -1.011 -10.694 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -18.569 -2.023 -12.491 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.650 -1.099 -13.662 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -15.568 -2.245 -12.919 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.503 -3.184 -11.772 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.316 -4.888 -13.149 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.210 -5.510 -14.540 1.00 0.00 H new ATOM 457 N GLY A 33 -16.384 1.147 -13.128 1.00 0.00 N ATOM 458 CA GLY A 33 -15.355 2.032 -13.641 1.00 0.00 C ATOM 459 C GLY A 33 -14.946 3.090 -12.636 1.00 0.00 C ATOM 460 O GLY A 33 -13.869 3.676 -12.744 1.00 0.00 O ATOM 0 H GLY A 33 -17.268 1.179 -13.635 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.481 1.444 -13.921 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.716 2.517 -14.548 1.00 0.00 H new ATOM 464 N SER A 34 -15.810 3.339 -11.656 1.00 0.00 N ATOM 465 CA SER A 34 -15.536 4.339 -10.631 1.00 0.00 C ATOM 466 C SER A 34 -14.867 3.702 -9.416 1.00 0.00 C ATOM 467 O SER A 34 -13.776 4.104 -9.011 1.00 0.00 O ATOM 468 CB SER A 34 -16.831 5.035 -10.208 1.00 0.00 C ATOM 469 OG SER A 34 -17.092 6.164 -11.023 1.00 0.00 O ATOM 0 H SER A 34 -16.705 2.862 -11.551 1.00 0.00 H new ATOM 0 HA SER A 34 -14.856 5.079 -11.053 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.663 4.334 -10.275 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.758 5.344 -9.165 1.00 0.00 H new ATOM 0 HG SER A 34 -17.926 6.590 -10.734 1.00 0.00 H new ATOM 475 N HIS A 35 -15.531 2.705 -8.838 1.00 0.00 N ATOM 476 CA HIS A 35 -15.002 2.011 -7.670 1.00 0.00 C ATOM 477 C HIS A 35 -13.533 1.648 -7.872 1.00 0.00 C ATOM 478 O HIS A 35 -12.791 1.470 -6.907 1.00 0.00 O ATOM 479 CB HIS A 35 -15.817 0.748 -7.388 1.00 0.00 C ATOM 480 CG HIS A 35 -15.163 -0.182 -6.413 1.00 0.00 C ATOM 481 ND1 HIS A 35 -15.431 -0.165 -5.061 1.00 0.00 N ATOM 482 CD2 HIS A 35 -14.247 -1.161 -6.601 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.709 -1.093 -4.459 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.982 -1.712 -5.372 1.00 0.00 N ATOM 0 H HIS A 35 -16.436 2.360 -9.160 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.078 2.682 -6.814 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.795 1.035 -7.003 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.986 0.218 -8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.807 -1.454 -7.543 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.712 -1.309 -3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.330 -2.475 -5.193 1.00 0.00 H new ATOM 492 N GLU A 36 -13.123 1.541 -9.131 1.00 0.00 N ATOM 493 CA GLU A 36 -11.744 1.197 -9.458 1.00 0.00 C ATOM 494 C GLU A 36 -10.801 2.345 -9.110 1.00 0.00 C ATOM 495 O GLU A 36 -9.660 2.123 -8.704 1.00 0.00 O ATOM 496 CB GLU A 36 -11.619 0.853 -10.944 1.00 0.00 C ATOM 497 CG GLU A 36 -11.919 -0.602 -11.259 1.00 0.00 C ATOM 498 CD GLU A 36 -11.159 -1.106 -12.471 1.00 0.00 C ATOM 499 OE1 GLU A 36 -9.946 -0.828 -12.566 1.00 0.00 O ATOM 500 OE2 GLU A 36 -11.778 -1.777 -13.323 1.00 0.00 O ATOM 0 H GLU A 36 -13.725 1.687 -9.941 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.463 0.326 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.299 1.487 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.609 1.088 -11.279 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.666 -1.216 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.989 -0.719 -11.431 1.00 0.00 H new ATOM 507 N ARG A 37 -11.285 3.572 -9.272 1.00 0.00 N ATOM 508 CA ARG A 37 -10.486 4.754 -8.976 1.00 0.00 C ATOM 509 C ARG A 37 -10.154 4.829 -7.489 1.00 0.00 C ATOM 510 O ARG A 37 -9.029 5.156 -7.108 1.00 0.00 O ATOM 511 CB ARG A 37 -11.230 6.020 -9.407 1.00 0.00 C ATOM 512 CG ARG A 37 -12.136 6.591 -8.329 1.00 0.00 C ATOM 513 CD ARG A 37 -12.915 7.795 -8.836 1.00 0.00 C ATOM 514 NE ARG A 37 -12.196 9.046 -8.609 1.00 0.00 N ATOM 515 CZ ARG A 37 -12.393 10.147 -9.326 1.00 0.00 C ATOM 516 NH1 ARG A 37 -13.282 10.151 -10.310 1.00 0.00 N ATOM 517 NH2 ARG A 37 -11.701 11.247 -9.059 1.00 0.00 N ATOM 0 H ARG A 37 -12.227 3.773 -9.607 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.553 4.680 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.502 6.778 -9.697 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.827 5.797 -10.291 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.831 5.822 -7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.538 6.881 -7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.111 7.678 -9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.883 7.837 -8.337 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.505 9.076 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.816 9.307 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.431 10.998 -10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.017 11.248 -8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.853 12.092 -9.610 1.00 0.00 H new ATOM 531 N LEU A 38 -11.139 4.524 -6.652 1.00 0.00 N ATOM 532 CA LEU A 38 -10.953 4.556 -5.206 1.00 0.00 C ATOM 533 C LEU A 38 -10.295 3.271 -4.713 1.00 0.00 C ATOM 534 O LEU A 38 -9.518 3.285 -3.757 1.00 0.00 O ATOM 535 CB LEU A 38 -12.296 4.756 -4.502 1.00 0.00 C ATOM 536 CG LEU A 38 -13.519 4.172 -5.211 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.501 3.603 -4.199 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.191 5.229 -6.074 1.00 0.00 C ATOM 0 H LEU A 38 -12.076 4.251 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.297 5.394 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.232 4.314 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.456 5.825 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.187 3.361 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.365 3.192 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.015 2.814 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.828 4.394 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.059 4.795 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.510 6.062 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.486 5.589 -6.824 1.00 0.00 H new ATOM 550 N CYS A 39 -10.609 2.161 -5.372 1.00 0.00 N ATOM 551 CA CYS A 39 -10.048 0.867 -5.003 1.00 0.00 C ATOM 552 C CYS A 39 -8.659 0.684 -5.608 1.00 0.00 C ATOM 553 O CYS A 39 -8.042 -0.372 -5.466 1.00 0.00 O ATOM 554 CB CYS A 39 -10.970 -0.263 -5.465 1.00 0.00 C ATOM 555 SG CYS A 39 -10.422 -1.925 -4.958 1.00 0.00 S ATOM 0 H CYS A 39 -11.250 2.132 -6.165 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.960 0.834 -3.917 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.970 -0.086 -5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.047 -0.233 -6.552 1.00 0.00 H new ATOM 0 HG CYS A 39 -9.126 -1.943 -4.858 1.00 0.00 H new ATOM 560 N ARG A 40 -8.172 1.720 -6.283 1.00 0.00 N ATOM 561 CA ARG A 40 -6.857 1.674 -6.911 1.00 0.00 C ATOM 562 C ARG A 40 -5.867 2.564 -6.164 1.00 0.00 C ATOM 563 O ARG A 40 -4.694 2.222 -6.023 1.00 0.00 O ATOM 564 CB ARG A 40 -6.951 2.112 -8.373 1.00 0.00 C ATOM 565 CG ARG A 40 -5.607 2.160 -9.082 1.00 0.00 C ATOM 566 CD ARG A 40 -5.768 2.044 -10.590 1.00 0.00 C ATOM 567 NE ARG A 40 -4.506 2.259 -11.293 1.00 0.00 N ATOM 568 CZ ARG A 40 -4.340 2.031 -12.591 1.00 0.00 C ATOM 569 NH1 ARG A 40 -5.351 1.584 -13.324 1.00 0.00 N ATOM 570 NH2 ARG A 40 -3.161 2.250 -13.159 1.00 0.00 N ATOM 0 H ARG A 40 -8.669 2.602 -6.409 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.498 0.646 -6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.610 1.427 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.412 3.099 -8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.100 3.094 -8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.974 1.350 -8.719 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.158 1.057 -10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.503 2.772 -10.933 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.709 2.603 -10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.259 1.414 -12.891 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.221 1.410 -14.321 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.381 2.594 -12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.035 2.075 -14.156 1.00 0.00 H new ATOM 584 N ASN A 41 -6.350 3.708 -5.690 1.00 0.00 N ATOM 585 CA ASN A 41 -5.507 4.648 -4.959 1.00 0.00 C ATOM 586 C ASN A 41 -5.672 4.469 -3.453 1.00 0.00 C ATOM 587 O ASN A 41 -4.893 5.003 -2.665 1.00 0.00 O ATOM 588 CB ASN A 41 -5.850 6.086 -5.354 1.00 0.00 C ATOM 589 CG ASN A 41 -7.345 6.336 -5.385 1.00 0.00 C ATOM 590 OD1 ASN A 41 -8.125 5.576 -4.810 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.752 7.405 -6.059 1.00 0.00 N ATOM 0 H ASN A 41 -7.319 4.006 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.468 4.445 -5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.384 6.775 -4.649 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.428 6.301 -6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.747 7.624 -6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.070 8.007 -6.520 1.00 0.00 H new ATOM 598 N ALA A 42 -6.692 3.713 -3.060 1.00 0.00 N ATOM 599 CA ALA A 42 -6.959 3.461 -1.650 1.00 0.00 C ATOM 600 C ALA A 42 -5.660 3.318 -0.863 1.00 0.00 C ATOM 601 O ALA A 42 -5.423 4.046 0.100 1.00 0.00 O ATOM 602 CB ALA A 42 -7.816 2.215 -1.489 1.00 0.00 C ATOM 0 H ALA A 42 -7.348 3.264 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.504 4.316 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.007 2.039 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.763 2.355 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.293 1.357 -1.911 1.00 0.00 H new ATOM 608 N ALA A 43 -4.823 2.373 -1.280 1.00 0.00 N ATOM 609 CA ALA A 43 -3.548 2.135 -0.615 1.00 0.00 C ATOM 610 C ALA A 43 -2.431 1.916 -1.630 1.00 0.00 C ATOM 611 O ALA A 43 -2.348 0.861 -2.258 1.00 0.00 O ATOM 612 CB ALA A 43 -3.655 0.940 0.320 1.00 0.00 C ATOM 0 H ALA A 43 -5.005 1.760 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.302 3.020 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.695 0.774 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.418 1.135 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.928 0.054 -0.252 1.00 0.00 H new ATOM 618 N VAL A 44 -1.575 2.921 -1.787 1.00 0.00 N ATOM 619 CA VAL A 44 -0.463 2.838 -2.727 1.00 0.00 C ATOM 620 C VAL A 44 0.872 3.035 -2.017 1.00 0.00 C ATOM 621 O VAL A 44 1.264 4.161 -1.711 1.00 0.00 O ATOM 622 CB VAL A 44 -0.596 3.886 -3.848 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.619 3.845 -4.763 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.877 3.661 -4.637 1.00 0.00 C ATOM 0 H VAL A 44 -1.630 3.802 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.494 1.841 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.646 4.876 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.508 4.592 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.518 4.058 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.703 2.855 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.955 4.410 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.860 2.666 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.735 3.745 -3.970 1.00 0.00 H new ATOM 634 N CYS A 45 1.567 1.932 -1.758 1.00 0.00 N ATOM 635 CA CYS A 45 2.858 1.982 -1.084 1.00 0.00 C ATOM 636 C CYS A 45 3.824 2.901 -1.827 1.00 0.00 C ATOM 637 O CYS A 45 4.188 2.659 -2.978 1.00 0.00 O ATOM 638 CB CYS A 45 3.455 0.578 -0.975 1.00 0.00 C ATOM 639 SG CYS A 45 4.908 0.470 0.118 1.00 0.00 S ATOM 0 H CYS A 45 1.257 0.992 -2.005 1.00 0.00 H new ATOM 0 HA CYS A 45 2.701 2.382 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.687 -0.104 -0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.737 0.236 -1.971 1.00 0.00 H new ATOM 0 HG CYS A 45 5.340 -0.756 0.146 1.00 0.00 H new ATOM 644 N PRO A 46 4.250 3.980 -1.154 1.00 0.00 N ATOM 645 CA PRO A 46 5.179 4.956 -1.730 1.00 0.00 C ATOM 646 C PRO A 46 6.584 4.388 -1.902 1.00 0.00 C ATOM 647 O PRO A 46 7.509 5.100 -2.294 1.00 0.00 O ATOM 648 CB PRO A 46 5.183 6.091 -0.703 1.00 0.00 C ATOM 649 CG PRO A 46 4.805 5.440 0.582 1.00 0.00 C ATOM 650 CD PRO A 46 3.857 4.331 0.221 1.00 0.00 C ATOM 0 HA PRO A 46 4.875 5.268 -2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.164 6.560 -0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.474 6.873 -0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.684 5.050 1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.332 6.154 1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.957 3.481 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.818 4.658 0.271 1.00 0.00 H new ATOM 658 N TYR A 47 6.737 3.102 -1.606 1.00 0.00 N ATOM 659 CA TYR A 47 8.030 2.439 -1.726 1.00 0.00 C ATOM 660 C TYR A 47 8.107 1.623 -3.013 1.00 0.00 C ATOM 661 O TYR A 47 8.959 1.867 -3.867 1.00 0.00 O ATOM 662 CB TYR A 47 8.275 1.532 -0.519 1.00 0.00 C ATOM 663 CG TYR A 47 8.228 2.260 0.805 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.752 3.541 0.935 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.660 1.668 1.927 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.711 4.210 2.143 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.614 2.331 3.138 1.00 0.00 C ATOM 668 CZ TYR A 47 8.141 3.601 3.241 1.00 0.00 C ATOM 669 OH TYR A 47 8.098 4.264 4.447 1.00 0.00 O ATOM 0 H TYR A 47 5.982 2.498 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 47 8.802 3.208 -1.758 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.528 0.738 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.248 1.053 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.199 4.021 0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.248 0.673 1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.123 5.205 2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.168 1.857 4.000 1.00 0.00 H new ATOM 0 HH TYR A 47 7.310 3.973 4.952 1.00 0.00 H new ATOM 679 N CYS A 48 7.209 0.652 -3.144 1.00 0.00 N ATOM 680 CA CYS A 48 7.172 -0.201 -4.326 1.00 0.00 C ATOM 681 C CYS A 48 6.045 0.217 -5.265 1.00 0.00 C ATOM 682 O CYS A 48 5.902 -0.324 -6.361 1.00 0.00 O ATOM 683 CB CYS A 48 6.994 -1.665 -3.918 1.00 0.00 C ATOM 684 SG CYS A 48 5.512 -1.980 -2.906 1.00 0.00 S ATOM 0 H CYS A 48 6.497 0.436 -2.446 1.00 0.00 H new ATOM 0 HA CYS A 48 8.120 -0.089 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.944 -2.278 -4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.875 -1.986 -3.362 1.00 0.00 H new ATOM 0 HG CYS A 48 5.489 -1.154 -1.902 1.00 0.00 H new ATOM 689 N SER A 49 5.246 1.185 -4.826 1.00 0.00 N ATOM 690 CA SER A 49 4.129 1.675 -5.625 1.00 0.00 C ATOM 691 C SER A 49 3.098 0.573 -5.851 1.00 0.00 C ATOM 692 O SER A 49 2.720 0.283 -6.987 1.00 0.00 O ATOM 693 CB SER A 49 4.629 2.204 -6.971 1.00 0.00 C ATOM 694 OG SER A 49 5.403 3.379 -6.800 1.00 0.00 O ATOM 0 H SER A 49 5.352 1.645 -3.922 1.00 0.00 H new ATOM 0 HA SER A 49 3.653 2.488 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.227 1.439 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.780 2.415 -7.621 1.00 0.00 H new ATOM 0 HG SER A 49 5.713 3.697 -7.674 1.00 0.00 H new ATOM 700 N LEU A 50 2.647 -0.039 -4.762 1.00 0.00 N ATOM 701 CA LEU A 50 1.660 -1.110 -4.839 1.00 0.00 C ATOM 702 C LEU A 50 0.244 -0.544 -4.880 1.00 0.00 C ATOM 703 O LEU A 50 0.053 0.671 -4.946 1.00 0.00 O ATOM 704 CB LEU A 50 1.809 -2.054 -3.645 1.00 0.00 C ATOM 705 CG LEU A 50 2.693 -3.282 -3.866 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.116 -3.883 -2.534 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.967 -4.317 -4.713 1.00 0.00 C ATOM 0 H LEU A 50 2.949 0.188 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 50 1.836 -1.667 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.213 -1.486 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.816 -2.394 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 50 3.589 -2.968 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.744 -4.756 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.676 -3.143 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.231 -4.182 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.611 -5.184 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.053 -4.626 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.716 -3.884 -5.681 1.00 0.00 H new ATOM 719 N ARG A 51 -0.744 -1.431 -4.839 1.00 0.00 N ATOM 720 CA ARG A 51 -2.142 -1.020 -4.871 1.00 0.00 C ATOM 721 C ARG A 51 -3.031 -2.060 -4.196 1.00 0.00 C ATOM 722 O ARG A 51 -3.272 -3.136 -4.744 1.00 0.00 O ATOM 723 CB ARG A 51 -2.599 -0.803 -6.315 1.00 0.00 C ATOM 724 CG ARG A 51 -1.836 0.296 -7.037 1.00 0.00 C ATOM 725 CD ARG A 51 -2.268 0.410 -8.491 1.00 0.00 C ATOM 726 NE ARG A 51 -1.955 1.722 -9.053 1.00 0.00 N ATOM 727 CZ ARG A 51 -0.755 2.057 -9.512 1.00 0.00 C ATOM 728 NH1 ARG A 51 0.240 1.182 -9.478 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.548 3.270 -10.009 1.00 0.00 N ATOM 0 H ARG A 51 -0.602 -2.440 -4.784 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.231 -0.082 -4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.485 -1.736 -6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.661 -0.558 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.001 1.248 -6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.767 0.090 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.773 -0.364 -9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.340 0.230 -8.566 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.699 2.419 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.085 0.248 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.161 1.443 -9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.311 3.946 -10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.374 3.526 -10.361 1.00 0.00 H new ATOM 743 N PHE A 52 -3.515 -1.733 -3.003 1.00 0.00 N ATOM 744 CA PHE A 52 -4.375 -2.639 -2.252 1.00 0.00 C ATOM 745 C PHE A 52 -5.806 -2.112 -2.198 1.00 0.00 C ATOM 746 O PHE A 52 -6.067 -0.956 -2.534 1.00 0.00 O ATOM 747 CB PHE A 52 -3.837 -2.829 -0.832 1.00 0.00 C ATOM 748 CG PHE A 52 -2.473 -3.457 -0.787 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.334 -2.682 -0.929 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.332 -4.823 -0.603 1.00 0.00 C ATOM 751 CE1 PHE A 52 -0.078 -3.258 -0.889 1.00 0.00 C ATOM 752 CE2 PHE A 52 -1.079 -5.405 -0.562 1.00 0.00 C ATOM 753 CZ PHE A 52 0.050 -4.621 -0.704 1.00 0.00 C ATOM 0 H PHE A 52 -3.326 -0.847 -2.535 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.379 -3.601 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.799 -1.860 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.533 -3.450 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.428 -1.616 -1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.211 -5.440 -0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.802 -2.643 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.982 -6.471 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.030 -5.073 -0.670 1.00 0.00 H new ATOM 763 N PHE A 53 -6.731 -2.967 -1.775 1.00 0.00 N ATOM 764 CA PHE A 53 -8.136 -2.589 -1.679 1.00 0.00 C ATOM 765 C PHE A 53 -8.342 -1.533 -0.598 1.00 0.00 C ATOM 766 O PHE A 53 -9.004 -0.520 -0.823 1.00 0.00 O ATOM 767 CB PHE A 53 -8.997 -3.818 -1.379 1.00 0.00 C ATOM 768 CG PHE A 53 -10.276 -3.493 -0.661 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.047 -2.409 -1.049 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.705 -4.271 0.402 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.225 -2.108 -0.390 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.882 -3.974 1.064 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.642 -2.891 0.668 1.00 0.00 C ATOM 0 H PHE A 53 -6.533 -3.927 -1.493 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.440 -2.167 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.234 -4.323 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.419 -4.518 -0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.724 -1.792 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.114 -5.118 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.818 -1.261 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.207 -4.589 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.561 -2.657 1.185 1.00 0.00 H new ATOM 783 N SER A 54 -7.772 -1.779 0.577 1.00 0.00 N ATOM 784 CA SER A 54 -7.896 -0.852 1.696 1.00 0.00 C ATOM 785 C SER A 54 -6.526 -0.342 2.134 1.00 0.00 C ATOM 786 O SER A 54 -5.493 -0.957 1.870 1.00 0.00 O ATOM 787 CB SER A 54 -8.601 -1.531 2.872 1.00 0.00 C ATOM 788 OG SER A 54 -10.009 -1.474 2.725 1.00 0.00 O ATOM 0 H SER A 54 -7.220 -2.612 0.779 1.00 0.00 H new ATOM 0 HA SER A 54 -8.492 -0.001 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.281 -2.571 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.310 -1.046 3.804 1.00 0.00 H new ATOM 0 HG SER A 54 -10.321 -2.271 2.248 1.00 0.00 H new ATOM 794 N PRO A 55 -6.517 0.810 2.821 1.00 0.00 N ATOM 795 CA PRO A 55 -5.282 1.429 3.312 1.00 0.00 C ATOM 796 C PRO A 55 -4.646 0.633 4.447 1.00 0.00 C ATOM 797 O PRO A 55 -3.428 0.650 4.622 1.00 0.00 O ATOM 798 CB PRO A 55 -5.746 2.798 3.814 1.00 0.00 C ATOM 799 CG PRO A 55 -7.185 2.610 4.152 1.00 0.00 C ATOM 800 CD PRO A 55 -7.711 1.597 3.173 1.00 0.00 C ATOM 0 HA PRO A 55 -4.517 1.481 2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.173 3.115 4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.616 3.565 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.303 2.259 5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.731 3.550 4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.486 0.973 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.150 2.075 2.297 1.00 0.00 H new ATOM 808 N GLU A 56 -5.478 -0.064 5.214 1.00 0.00 N ATOM 809 CA GLU A 56 -4.995 -0.866 6.332 1.00 0.00 C ATOM 810 C GLU A 56 -4.136 -2.026 5.838 1.00 0.00 C ATOM 811 O GLU A 56 -3.150 -2.399 6.476 1.00 0.00 O ATOM 812 CB GLU A 56 -6.172 -1.401 7.151 1.00 0.00 C ATOM 813 CG GLU A 56 -6.635 -0.452 8.243 1.00 0.00 C ATOM 814 CD GLU A 56 -7.361 -1.165 9.367 1.00 0.00 C ATOM 815 OE1 GLU A 56 -6.745 -2.041 10.010 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.545 -0.847 9.604 1.00 0.00 O ATOM 0 H GLU A 56 -6.489 -0.090 5.082 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.381 -0.226 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.007 -1.605 6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.887 -2.351 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.773 0.076 8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.294 0.300 7.810 1.00 0.00 H new ATOM 823 N LEU A 57 -4.516 -2.593 4.699 1.00 0.00 N ATOM 824 CA LEU A 57 -3.782 -3.712 4.119 1.00 0.00 C ATOM 825 C LEU A 57 -2.359 -3.299 3.755 1.00 0.00 C ATOM 826 O LEU A 57 -1.399 -4.007 4.058 1.00 0.00 O ATOM 827 CB LEU A 57 -4.507 -4.235 2.877 1.00 0.00 C ATOM 828 CG LEU A 57 -5.585 -5.291 3.124 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.430 -5.493 1.876 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.954 -6.605 3.562 1.00 0.00 C ATOM 0 H LEU A 57 -5.328 -2.296 4.158 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.731 -4.506 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.966 -3.389 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.765 -4.654 2.197 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.235 -4.939 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.192 -6.248 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.911 -4.553 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.793 -5.823 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.736 -7.345 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.280 -6.963 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.393 -6.450 4.484 1.00 0.00 H new ATOM 842 N LYS A 58 -2.231 -2.147 3.105 1.00 0.00 N ATOM 843 CA LYS A 58 -0.926 -1.637 2.703 1.00 0.00 C ATOM 844 C LYS A 58 -0.061 -1.332 3.921 1.00 0.00 C ATOM 845 O LYS A 58 1.105 -1.721 3.978 1.00 0.00 O ATOM 846 CB LYS A 58 -1.089 -0.375 1.852 1.00 0.00 C ATOM 847 CG LYS A 58 0.219 0.152 1.288 1.00 0.00 C ATOM 848 CD LYS A 58 0.869 1.151 2.230 1.00 0.00 C ATOM 849 CE LYS A 58 0.169 2.500 2.182 1.00 0.00 C ATOM 850 NZ LYS A 58 0.372 3.185 0.875 1.00 0.00 N ATOM 0 H LYS A 58 -3.016 -1.549 2.845 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.430 -2.407 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.770 -0.588 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.554 0.403 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.901 -0.679 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.036 0.626 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.843 0.763 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.918 1.275 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.898 2.362 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.545 3.133 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.149 4.085 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.386 3.370 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.021 2.578 0.107 1.00 0.00 H new ATOM 864 N GLN A 59 -0.641 -0.637 4.894 1.00 0.00 N ATOM 865 CA GLN A 59 0.078 -0.282 6.112 1.00 0.00 C ATOM 866 C GLN A 59 0.952 -1.438 6.585 1.00 0.00 C ATOM 867 O GLN A 59 2.137 -1.258 6.862 1.00 0.00 O ATOM 868 CB GLN A 59 -0.907 0.112 7.214 1.00 0.00 C ATOM 869 CG GLN A 59 -1.421 1.537 7.090 1.00 0.00 C ATOM 870 CD GLN A 59 -2.172 1.996 8.325 1.00 0.00 C ATOM 871 OE1 GLN A 59 -2.451 1.205 9.226 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.504 3.281 8.372 1.00 0.00 N ATOM 0 H GLN A 59 -1.606 -0.309 4.863 1.00 0.00 H new ATOM 0 HA GLN A 59 0.722 0.568 5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.754 -0.574 7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.422 -0.007 8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.581 2.208 6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.077 1.608 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.252 3.901 7.602 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.011 3.648 9.178 1.00 0.00 H new ATOM 881 N GLU A 60 0.359 -2.625 6.674 1.00 0.00 N ATOM 882 CA GLU A 60 1.085 -3.810 7.115 1.00 0.00 C ATOM 883 C GLU A 60 2.259 -4.105 6.186 1.00 0.00 C ATOM 884 O GLU A 60 3.410 -4.162 6.620 1.00 0.00 O ATOM 885 CB GLU A 60 0.148 -5.018 7.170 1.00 0.00 C ATOM 886 CG GLU A 60 -1.113 -4.774 7.982 1.00 0.00 C ATOM 887 CD GLU A 60 -0.820 -4.477 9.440 1.00 0.00 C ATOM 888 OE1 GLU A 60 -0.399 -5.406 10.161 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.011 -3.317 9.860 1.00 0.00 O ATOM 0 H GLU A 60 -0.621 -2.791 6.447 1.00 0.00 H new ATOM 0 HA GLU A 60 1.474 -3.616 8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.132 -5.296 6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.686 -5.865 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.664 -3.939 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.758 -5.650 7.916 1.00 0.00 H new ATOM 896 N HIS A 61 1.960 -4.293 4.904 1.00 0.00 N ATOM 897 CA HIS A 61 2.990 -4.582 3.913 1.00 0.00 C ATOM 898 C HIS A 61 4.180 -3.642 4.076 1.00 0.00 C ATOM 899 O HIS A 61 5.324 -4.086 4.175 1.00 0.00 O ATOM 900 CB HIS A 61 2.417 -4.459 2.501 1.00 0.00 C ATOM 901 CG HIS A 61 3.462 -4.267 1.445 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.167 -5.312 0.886 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.919 -3.143 0.845 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.014 -4.838 -0.011 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.883 -3.525 -0.055 1.00 0.00 N ATOM 0 H HIS A 61 1.013 -4.250 4.528 1.00 0.00 H new ATOM 0 HA HIS A 61 3.334 -5.604 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.841 -5.356 2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.723 -3.619 2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.587 -2.134 1.038 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.697 -5.425 -0.607 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.412 -2.896 -0.659 1.00 0.00 H new ATOM 913 N GLU A 62 3.903 -2.343 4.102 1.00 0.00 N ATOM 914 CA GLU A 62 4.952 -1.341 4.252 1.00 0.00 C ATOM 915 C GLU A 62 5.976 -1.778 5.295 1.00 0.00 C ATOM 916 O GLU A 62 7.136 -1.367 5.252 1.00 0.00 O ATOM 917 CB GLU A 62 4.348 0.008 4.648 1.00 0.00 C ATOM 918 CG GLU A 62 4.087 0.928 3.467 1.00 0.00 C ATOM 919 CD GLU A 62 3.237 2.127 3.839 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.575 2.080 4.897 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.234 3.113 3.073 1.00 0.00 O ATOM 0 H GLU A 62 2.961 -1.959 4.021 1.00 0.00 H new ATOM 0 HA GLU A 62 5.458 -1.236 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.411 -0.164 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.021 0.507 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.039 1.273 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.590 0.366 2.676 1.00 0.00 H new ATOM 928 N SER A 63 5.539 -2.613 6.232 1.00 0.00 N ATOM 929 CA SER A 63 6.415 -3.102 7.290 1.00 0.00 C ATOM 930 C SER A 63 7.346 -4.191 6.764 1.00 0.00 C ATOM 931 O SER A 63 8.520 -4.250 7.127 1.00 0.00 O ATOM 932 CB SER A 63 5.588 -3.643 8.457 1.00 0.00 C ATOM 933 OG SER A 63 4.688 -2.662 8.942 1.00 0.00 O ATOM 0 H SER A 63 4.583 -2.965 6.280 1.00 0.00 H new ATOM 0 HA SER A 63 7.022 -2.267 7.640 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.032 -4.524 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.252 -3.961 9.261 1.00 0.00 H new ATOM 0 HG SER A 63 3.867 -2.679 8.408 1.00 0.00 H new ATOM 939 N LYS A 64 6.812 -5.053 5.904 1.00 0.00 N ATOM 940 CA LYS A 64 7.592 -6.140 5.326 1.00 0.00 C ATOM 941 C LYS A 64 8.028 -5.800 3.904 1.00 0.00 C ATOM 942 O LYS A 64 8.484 -6.668 3.159 1.00 0.00 O ATOM 943 CB LYS A 64 6.777 -7.435 5.324 1.00 0.00 C ATOM 944 CG LYS A 64 5.452 -7.320 4.590 1.00 0.00 C ATOM 945 CD LYS A 64 4.428 -8.305 5.129 1.00 0.00 C ATOM 946 CE LYS A 64 3.959 -7.915 6.522 1.00 0.00 C ATOM 947 NZ LYS A 64 2.738 -7.064 6.478 1.00 0.00 N ATOM 0 H LYS A 64 5.841 -5.019 5.592 1.00 0.00 H new ATOM 0 HA LYS A 64 8.483 -6.279 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.369 -8.226 4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.587 -7.736 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.068 -6.305 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.607 -7.501 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.573 -8.348 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.862 -9.304 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.754 -8.815 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.757 -7.380 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.894 -6.204 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.534 -6.800 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.932 -7.593 6.868 1.00 0.00 H new ATOM 961 N CYS A 65 7.886 -4.531 3.534 1.00 0.00 N ATOM 962 CA CYS A 65 8.266 -4.076 2.202 1.00 0.00 C ATOM 963 C CYS A 65 9.784 -4.033 2.055 1.00 0.00 C ATOM 964 O CYS A 65 10.476 -3.385 2.839 1.00 0.00 O ATOM 965 CB CYS A 65 7.677 -2.691 1.927 1.00 0.00 C ATOM 966 SG CYS A 65 7.987 -2.073 0.241 1.00 0.00 S ATOM 0 H CYS A 65 7.511 -3.800 4.138 1.00 0.00 H new ATOM 0 HA CYS A 65 7.868 -4.784 1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.601 -2.725 2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.092 -1.983 2.644 1.00 0.00 H new ATOM 0 HG CYS A 65 7.465 -2.891 -0.624 1.00 0.00 H new ATOM 971 N GLU A 66 10.295 -4.729 1.043 1.00 0.00 N ATOM 972 CA GLU A 66 11.731 -4.770 0.793 1.00 0.00 C ATOM 973 C GLU A 66 12.194 -3.508 0.071 1.00 0.00 C ATOM 974 O GLU A 66 13.393 -3.274 -0.085 1.00 0.00 O ATOM 975 CB GLU A 66 12.091 -6.006 -0.035 1.00 0.00 C ATOM 976 CG GLU A 66 11.271 -6.146 -1.307 1.00 0.00 C ATOM 977 CD GLU A 66 9.999 -6.944 -1.096 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.598 -7.125 0.073 1.00 0.00 O ATOM 979 OE2 GLU A 66 9.404 -7.388 -2.101 1.00 0.00 O ATOM 0 H GLU A 66 9.736 -5.271 0.384 1.00 0.00 H new ATOM 0 HA GLU A 66 12.240 -4.824 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.148 -5.962 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.951 -6.897 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.016 -5.155 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.876 -6.630 -2.074 1.00 0.00 H new ATOM 986 N TYR A 67 11.236 -2.699 -0.366 1.00 0.00 N ATOM 987 CA TYR A 67 11.545 -1.462 -1.074 1.00 0.00 C ATOM 988 C TYR A 67 11.593 -0.280 -0.110 1.00 0.00 C ATOM 989 O TYR A 67 12.097 0.792 -0.447 1.00 0.00 O ATOM 990 CB TYR A 67 10.507 -1.202 -2.166 1.00 0.00 C ATOM 991 CG TYR A 67 10.779 -1.950 -3.451 1.00 0.00 C ATOM 992 CD1 TYR A 67 10.438 -3.290 -3.584 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.377 -1.316 -4.534 1.00 0.00 C ATOM 994 CE1 TYR A 67 10.686 -3.978 -4.756 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.627 -1.996 -5.710 1.00 0.00 C ATOM 996 CZ TYR A 67 11.280 -3.327 -5.816 1.00 0.00 C ATOM 997 OH TYR A 67 11.528 -4.008 -6.986 1.00 0.00 O ATOM 0 H TYR A 67 10.239 -2.877 -0.243 1.00 0.00 H new ATOM 0 HA TYR A 67 12.527 -1.572 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.522 -1.483 -1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.475 -0.133 -2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.971 -3.803 -2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.651 -0.274 -4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.416 -5.020 -4.841 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.092 -1.488 -6.542 1.00 0.00 H new ATOM 0 HH TYR A 67 11.949 -3.404 -7.633 1.00 0.00 H new ATOM 1007 N LYS A 68 11.066 -0.484 1.092 1.00 0.00 N ATOM 1008 CA LYS A 68 11.048 0.562 2.108 1.00 0.00 C ATOM 1009 C LYS A 68 12.461 1.048 2.412 1.00 0.00 C ATOM 1010 O LYS A 68 12.763 2.235 2.282 1.00 0.00 O ATOM 1011 CB LYS A 68 10.388 0.046 3.389 1.00 0.00 C ATOM 1012 CG LYS A 68 10.486 1.013 4.556 1.00 0.00 C ATOM 1013 CD LYS A 68 9.477 0.681 5.642 1.00 0.00 C ATOM 1014 CE LYS A 68 9.298 1.841 6.610 1.00 0.00 C ATOM 1015 NZ LYS A 68 8.418 1.477 7.755 1.00 0.00 N ATOM 0 H LYS A 68 10.645 -1.365 1.387 1.00 0.00 H new ATOM 0 HA LYS A 68 10.469 1.401 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.337 -0.162 3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.852 -0.899 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.493 0.982 4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.319 2.030 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.518 0.435 5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.806 -0.203 6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.272 2.154 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.872 2.693 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.321 2.294 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.480 1.203 7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.837 0.680 8.276 1.00 0.00 H new ATOM 1029 N LYS A 69 13.326 0.124 2.818 1.00 0.00 N ATOM 1030 CA LYS A 69 14.709 0.457 3.138 1.00 0.00 C ATOM 1031 C LYS A 69 15.421 1.046 1.925 1.00 0.00 C ATOM 1032 O LYS A 69 16.165 2.021 2.042 1.00 0.00 O ATOM 1033 CB LYS A 69 15.454 -0.786 3.627 1.00 0.00 C ATOM 1034 CG LYS A 69 15.503 -1.908 2.604 1.00 0.00 C ATOM 1035 CD LYS A 69 16.026 -3.197 3.215 1.00 0.00 C ATOM 1036 CE LYS A 69 16.264 -4.260 2.153 1.00 0.00 C ATOM 1037 NZ LYS A 69 16.864 -5.496 2.730 1.00 0.00 N ATOM 0 H LYS A 69 13.093 -0.862 2.933 1.00 0.00 H new ATOM 0 HA LYS A 69 14.703 1.204 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.473 -0.506 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.974 -1.153 4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.505 -2.075 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.141 -1.614 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.956 -2.998 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.312 -3.569 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.319 -4.507 1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.924 -3.862 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.011 -6.196 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.777 -5.265 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.223 -5.891 3.448 1.00 0.00 H new ATOM 1051 N LEU A 70 15.190 0.449 0.761 1.00 0.00 N ATOM 1052 CA LEU A 70 15.809 0.916 -0.475 1.00 0.00 C ATOM 1053 C LEU A 70 15.288 2.298 -0.857 1.00 0.00 C ATOM 1054 O LEU A 70 15.749 2.902 -1.826 1.00 0.00 O ATOM 1055 CB LEU A 70 15.539 -0.075 -1.609 1.00 0.00 C ATOM 1056 CG LEU A 70 16.301 -1.398 -1.539 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.863 -2.326 -2.661 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.802 -1.154 -1.601 1.00 0.00 C ATOM 0 H LEU A 70 14.579 -0.359 0.647 1.00 0.00 H new ATOM 0 HA LEU A 70 16.884 0.987 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.471 -0.294 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.780 0.411 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 70 16.071 -1.878 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.416 -3.263 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.796 -2.528 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.063 -1.854 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.328 -2.107 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.051 -0.652 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.104 -0.528 -0.762 1.00 0.00 H new ATOM 1070 N THR A 71 14.324 2.795 -0.087 1.00 0.00 N ATOM 1071 CA THR A 71 13.741 4.106 -0.344 1.00 0.00 C ATOM 1072 C THR A 71 14.331 5.161 0.585 1.00 0.00 C ATOM 1073 O THR A 71 14.137 5.112 1.800 1.00 0.00 O ATOM 1074 CB THR A 71 12.210 4.083 -0.171 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.630 3.128 -1.065 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.616 5.459 -0.434 1.00 0.00 C ATOM 0 H THR A 71 13.931 2.309 0.719 1.00 0.00 H new ATOM 0 HA THR A 71 13.979 4.362 -1.377 1.00 0.00 H new ATOM 0 HB THR A 71 11.986 3.798 0.857 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.467 2.289 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.534 5.419 -0.306 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.038 6.178 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.850 5.767 -1.453 1.00 0.00 H new ATOM 1084 N CYS A 72 15.051 6.116 0.005 1.00 0.00 N ATOM 1085 CA CYS A 72 15.669 7.185 0.781 1.00 0.00 C ATOM 1086 C CYS A 72 14.611 8.117 1.363 1.00 0.00 C ATOM 1087 O CYS A 72 14.319 9.173 0.798 1.00 0.00 O ATOM 1088 CB CYS A 72 16.641 7.980 -0.093 1.00 0.00 C ATOM 1089 SG CYS A 72 17.697 9.139 0.834 1.00 0.00 S ATOM 0 H CYS A 72 15.221 6.171 -0.999 1.00 0.00 H new ATOM 0 HA CYS A 72 16.219 6.731 1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.277 7.282 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.071 8.539 -0.836 1.00 0.00 H new ATOM 0 HG CYS A 72 18.485 9.763 0.009 1.00 0.00 H new ATOM 1094 N LEU A 73 14.039 7.720 2.494 1.00 0.00 N ATOM 1095 CA LEU A 73 13.013 8.520 3.154 1.00 0.00 C ATOM 1096 C LEU A 73 13.406 9.994 3.183 1.00 0.00 C ATOM 1097 O LEU A 73 12.551 10.875 3.106 1.00 0.00 O ATOM 1098 CB LEU A 73 12.781 8.014 4.579 1.00 0.00 C ATOM 1099 CG LEU A 73 12.481 6.521 4.720 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.358 6.138 6.186 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.212 6.158 3.963 1.00 0.00 C ATOM 0 H LEU A 73 14.268 6.849 2.973 1.00 0.00 H new ATOM 0 HA LEU A 73 12.089 8.421 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.665 8.244 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.951 8.573 5.011 1.00 0.00 H new ATOM 0 HG LEU A 73 13.310 5.961 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.144 5.072 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.293 6.361 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.548 6.706 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.014 5.092 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.373 6.727 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.338 6.395 2.907 1.00 0.00 H new ATOM 1113 N GLU A 74 14.705 10.252 3.294 1.00 0.00 N ATOM 1114 CA GLU A 74 15.211 11.619 3.332 1.00 0.00 C ATOM 1115 C GLU A 74 14.669 12.432 2.160 1.00 0.00 C ATOM 1116 O GLU A 74 14.072 13.493 2.348 1.00 0.00 O ATOM 1117 CB GLU A 74 16.741 11.622 3.305 1.00 0.00 C ATOM 1118 CG GLU A 74 17.371 10.824 4.435 1.00 0.00 C ATOM 1119 CD GLU A 74 17.012 11.369 5.804 1.00 0.00 C ATOM 1120 OE1 GLU A 74 15.901 11.070 6.288 1.00 0.00 O ATOM 1121 OE2 GLU A 74 17.843 12.094 6.390 1.00 0.00 O ATOM 0 H GLU A 74 15.426 9.533 3.359 1.00 0.00 H new ATOM 0 HA GLU A 74 14.871 12.079 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.080 11.216 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.095 12.652 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.048 9.785 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.455 10.829 4.319 1.00 0.00 H new ATOM 1128 N CYS A 75 14.884 11.929 0.949 1.00 0.00 N ATOM 1129 CA CYS A 75 14.419 12.607 -0.255 1.00 0.00 C ATOM 1130 C CYS A 75 13.548 11.681 -1.099 1.00 0.00 C ATOM 1131 O CYS A 75 13.493 11.808 -2.322 1.00 0.00 O ATOM 1132 CB CYS A 75 15.610 13.098 -1.081 1.00 0.00 C ATOM 1133 SG CYS A 75 16.525 11.770 -1.929 1.00 0.00 S ATOM 0 H CYS A 75 15.378 11.053 0.775 1.00 0.00 H new ATOM 0 HA CYS A 75 13.818 13.464 0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.254 13.811 -1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.295 13.636 -0.426 1.00 0.00 H new ATOM 0 HG CYS A 75 16.906 10.882 -1.059 1.00 0.00 H new ATOM 1138 N MET A 76 12.869 10.750 -0.437 1.00 0.00 N ATOM 1139 CA MET A 76 11.999 9.804 -1.126 1.00 0.00 C ATOM 1140 C MET A 76 12.597 9.394 -2.469 1.00 0.00 C ATOM 1141 O MET A 76 11.951 9.517 -3.510 1.00 0.00 O ATOM 1142 CB MET A 76 10.612 10.413 -1.337 1.00 0.00 C ATOM 1143 CG MET A 76 9.679 10.224 -0.153 1.00 0.00 C ATOM 1144 SD MET A 76 8.773 8.667 -0.223 1.00 0.00 S ATOM 1145 CE MET A 76 9.733 7.665 0.910 1.00 0.00 C ATOM 0 H MET A 76 12.904 10.630 0.575 1.00 0.00 H new ATOM 0 HA MET A 76 11.906 8.915 -0.503 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.719 11.479 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.159 9.966 -2.221 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.258 10.262 0.770 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.970 11.051 -0.119 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.459 6.617 0.791 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.794 7.789 0.695 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.531 7.979 1.934 1.00 0.00 H new ATOM 1155 N ARG A 77 13.833 8.908 -2.437 1.00 0.00 N ATOM 1156 CA ARG A 77 14.518 8.482 -3.652 1.00 0.00 C ATOM 1157 C ARG A 77 14.797 6.982 -3.621 1.00 0.00 C ATOM 1158 O ARG A 77 15.770 6.532 -3.015 1.00 0.00 O ATOM 1159 CB ARG A 77 15.830 9.252 -3.820 1.00 0.00 C ATOM 1160 CG ARG A 77 16.634 8.825 -5.037 1.00 0.00 C ATOM 1161 CD ARG A 77 16.272 9.651 -6.262 1.00 0.00 C ATOM 1162 NE ARG A 77 14.972 9.274 -6.811 1.00 0.00 N ATOM 1163 CZ ARG A 77 14.232 10.079 -7.564 1.00 0.00 C ATOM 1164 NH1 ARG A 77 14.660 11.299 -7.857 1.00 0.00 N ATOM 1165 NH2 ARG A 77 13.059 9.664 -8.027 1.00 0.00 N ATOM 0 H ARG A 77 14.381 8.799 -1.584 1.00 0.00 H new ATOM 0 HA ARG A 77 13.868 8.696 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.610 10.317 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.439 9.115 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.698 8.931 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.453 7.770 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.261 10.708 -5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.039 9.523 -7.026 1.00 0.00 H new ATOM 0 HE ARG A 77 14.613 8.342 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.561 11.622 -7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 77 14.089 11.915 -8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.726 8.726 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.491 10.283 -8.605 1.00 0.00 H new ATOM 1179 N THR A 78 13.936 6.212 -4.279 1.00 0.00 N ATOM 1180 CA THR A 78 14.087 4.763 -4.326 1.00 0.00 C ATOM 1181 C THR A 78 15.094 4.350 -5.394 1.00 0.00 C ATOM 1182 O THR A 78 15.224 5.008 -6.427 1.00 0.00 O ATOM 1183 CB THR A 78 12.743 4.067 -4.608 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.677 4.785 -3.977 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.761 2.631 -4.106 1.00 0.00 C ATOM 0 H THR A 78 13.126 6.568 -4.787 1.00 0.00 H new ATOM 0 HA THR A 78 14.451 4.451 -3.347 1.00 0.00 H new ATOM 0 HB THR A 78 12.584 4.056 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.826 4.337 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.801 2.160 -4.316 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.554 2.079 -4.610 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.941 2.624 -3.031 1.00 0.00 H new ATOM 1193 N PHE A 79 15.805 3.257 -5.139 1.00 0.00 N ATOM 1194 CA PHE A 79 16.802 2.756 -6.078 1.00 0.00 C ATOM 1195 C PHE A 79 16.538 1.293 -6.422 1.00 0.00 C ATOM 1196 O PHE A 79 15.554 0.706 -5.974 1.00 0.00 O ATOM 1197 CB PHE A 79 18.207 2.910 -5.494 1.00 0.00 C ATOM 1198 CG PHE A 79 18.662 4.338 -5.392 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.153 5.172 -4.410 1.00 0.00 C ATOM 1200 CD2 PHE A 79 19.598 4.845 -6.278 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.569 6.487 -4.315 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.018 6.159 -6.188 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.504 6.980 -5.204 1.00 0.00 C ATOM 0 H PHE A 79 15.709 2.701 -4.289 1.00 0.00 H new ATOM 0 HA PHE A 79 16.731 3.344 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.231 2.458 -4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 79 18.912 2.356 -6.114 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.423 4.791 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.005 4.206 -7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.163 7.128 -3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 79 20.747 6.543 -6.886 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.833 8.006 -5.130 1.00 0.00 H new ATOM 1213 N LYS A 80 17.425 0.711 -7.221 1.00 0.00 N ATOM 1214 CA LYS A 80 17.292 -0.684 -7.626 1.00 0.00 C ATOM 1215 C LYS A 80 17.905 -1.614 -6.584 1.00 0.00 C ATOM 1216 O LYS A 80 17.384 -2.698 -6.323 1.00 0.00 O ATOM 1217 CB LYS A 80 17.961 -0.909 -8.984 1.00 0.00 C ATOM 1218 CG LYS A 80 17.399 -2.093 -9.750 1.00 0.00 C ATOM 1219 CD LYS A 80 18.133 -3.379 -9.407 1.00 0.00 C ATOM 1220 CE LYS A 80 17.272 -4.602 -9.684 1.00 0.00 C ATOM 1221 NZ LYS A 80 17.350 -5.023 -11.110 1.00 0.00 N ATOM 0 H LYS A 80 18.245 1.184 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 80 16.229 -0.912 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.848 -0.009 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.030 -1.059 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.339 -2.206 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.475 -1.904 -10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 80 19.053 -3.441 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.421 -3.366 -8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.593 -5.424 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.236 -4.383 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.750 -5.859 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.020 -4.248 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.335 -5.257 -11.350 1.00 0.00 H new ATOM 1235 N SER A 81 19.013 -1.182 -5.991 1.00 0.00 N ATOM 1236 CA SER A 81 19.699 -1.978 -4.980 1.00 0.00 C ATOM 1237 C SER A 81 20.128 -1.107 -3.803 1.00 0.00 C ATOM 1238 O SER A 81 19.926 0.107 -3.808 1.00 0.00 O ATOM 1239 CB SER A 81 20.919 -2.672 -5.587 1.00 0.00 C ATOM 1240 OG SER A 81 21.236 -3.859 -4.879 1.00 0.00 O ATOM 0 H SER A 81 19.455 -0.285 -6.193 1.00 0.00 H new ATOM 0 HA SER A 81 19.004 -2.735 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.723 -2.910 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.773 -1.995 -5.569 1.00 0.00 H new ATOM 0 HG SER A 81 22.018 -4.285 -5.288 1.00 0.00 H new ATOM 1246 N SER A 82 20.723 -1.737 -2.795 1.00 0.00 N ATOM 1247 CA SER A 82 21.179 -1.021 -1.608 1.00 0.00 C ATOM 1248 C SER A 82 22.485 -0.284 -1.887 1.00 0.00 C ATOM 1249 O SER A 82 22.607 0.911 -1.618 1.00 0.00 O ATOM 1250 CB SER A 82 21.366 -1.993 -0.442 1.00 0.00 C ATOM 1251 OG SER A 82 20.176 -2.717 -0.184 1.00 0.00 O ATOM 0 H SER A 82 20.901 -2.741 -2.776 1.00 0.00 H new ATOM 0 HA SER A 82 20.419 -0.287 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.175 -2.687 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.661 -1.442 0.451 1.00 0.00 H new ATOM 0 HG SER A 82 20.323 -3.332 0.564 1.00 0.00 H new ATOM 1257 N PHE A 83 23.461 -1.007 -2.428 1.00 0.00 N ATOM 1258 CA PHE A 83 24.760 -0.423 -2.742 1.00 0.00 C ATOM 1259 C PHE A 83 24.602 0.809 -3.628 1.00 0.00 C ATOM 1260 O PHE A 83 25.329 1.791 -3.479 1.00 0.00 O ATOM 1261 CB PHE A 83 25.651 -1.454 -3.438 1.00 0.00 C ATOM 1262 CG PHE A 83 27.049 -0.967 -3.687 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.309 -0.053 -4.696 1.00 0.00 C ATOM 1264 CD2 PHE A 83 28.105 -1.423 -2.914 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.595 0.398 -4.928 1.00 0.00 C ATOM 1266 CE2 PHE A 83 29.392 -0.975 -3.141 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.638 -0.064 -4.150 1.00 0.00 C ATOM 0 H PHE A 83 23.377 -1.997 -2.658 1.00 0.00 H new ATOM 0 HA PHE A 83 25.230 -0.119 -1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.692 -2.357 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 83 25.197 -1.732 -4.389 1.00 0.00 H new ATOM 0 HD1 PHE A 83 26.497 0.311 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 83 27.920 -2.137 -2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 83 28.784 1.111 -5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 83 30.206 -1.337 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.644 0.286 -4.330 1.00 0.00 H new ATOM 1277 N SER A 84 23.647 0.749 -4.551 1.00 0.00 N ATOM 1278 CA SER A 84 23.396 1.858 -5.464 1.00 0.00 C ATOM 1279 C SER A 84 22.995 3.114 -4.696 1.00 0.00 C ATOM 1280 O SER A 84 23.657 4.148 -4.788 1.00 0.00 O ATOM 1281 CB SER A 84 22.299 1.485 -6.463 1.00 0.00 C ATOM 1282 OG SER A 84 22.633 0.304 -7.170 1.00 0.00 O ATOM 0 H SER A 84 23.035 -0.056 -4.686 1.00 0.00 H new ATOM 0 HA SER A 84 24.318 2.065 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.356 1.342 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.150 2.304 -7.167 1.00 0.00 H new ATOM 0 HG SER A 84 21.915 0.086 -7.801 1.00 0.00 H new ATOM 1288 N ILE A 85 21.907 3.016 -3.941 1.00 0.00 N ATOM 1289 CA ILE A 85 21.417 4.143 -3.156 1.00 0.00 C ATOM 1290 C ILE A 85 22.469 4.616 -2.158 1.00 0.00 C ATOM 1291 O ILE A 85 22.621 5.814 -1.922 1.00 0.00 O ATOM 1292 CB ILE A 85 20.129 3.782 -2.394 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.686 4.952 -1.514 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.343 2.531 -1.555 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.290 4.791 -0.952 1.00 0.00 C ATOM 0 H ILE A 85 21.347 2.168 -3.856 1.00 0.00 H new ATOM 0 HA ILE A 85 21.199 4.946 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 85 19.340 3.579 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.390 5.063 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.730 5.872 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.424 2.289 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.616 1.699 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.143 2.708 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.043 5.657 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.575 4.710 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.245 3.889 -0.341 1.00 0.00 H new ATOM 1307 N TRP A 86 23.193 3.667 -1.577 1.00 0.00 N ATOM 1308 CA TRP A 86 24.233 3.986 -0.605 1.00 0.00 C ATOM 1309 C TRP A 86 25.078 5.164 -1.079 1.00 0.00 C ATOM 1310 O TRP A 86 25.299 6.120 -0.336 1.00 0.00 O ATOM 1311 CB TRP A 86 25.125 2.768 -0.362 1.00 0.00 C ATOM 1312 CG TRP A 86 26.174 2.998 0.683 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.983 3.497 1.940 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.577 2.741 0.561 1.00 0.00 C ATOM 1315 NE1 TRP A 86 27.182 3.565 2.607 1.00 0.00 N ATOM 1316 CE2 TRP A 86 28.176 3.106 1.783 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.385 2.235 -0.461 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 29.544 2.982 2.007 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.743 2.113 -0.237 1.00 0.00 C ATOM 1320 CH2 TRP A 86 30.312 2.485 0.989 1.00 0.00 C ATOM 0 H TRP A 86 23.080 2.670 -1.762 1.00 0.00 H new ATOM 0 HA TRP A 86 23.748 4.264 0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.502 1.925 -0.062 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.610 2.489 -1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 86 25.029 3.795 2.350 1.00 0.00 H new ATOM 0 HE1 TRP A 86 27.311 3.902 3.561 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.956 1.945 -1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.984 3.268 2.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.377 1.724 -1.020 1.00 0.00 H new ATOM 0 HH2 TRP A 86 31.377 2.377 1.133 1.00 0.00 H new ATOM 1331 N ARG A 87 25.547 5.088 -2.320 1.00 0.00 N ATOM 1332 CA ARG A 87 26.369 6.148 -2.892 1.00 0.00 C ATOM 1333 C ARG A 87 25.606 7.469 -2.925 1.00 0.00 C ATOM 1334 O ARG A 87 26.190 8.539 -2.750 1.00 0.00 O ATOM 1335 CB ARG A 87 26.816 5.769 -4.305 1.00 0.00 C ATOM 1336 CG ARG A 87 27.544 4.436 -4.377 1.00 0.00 C ATOM 1337 CD ARG A 87 28.991 4.566 -3.929 1.00 0.00 C ATOM 1338 NE ARG A 87 29.771 5.406 -4.835 1.00 0.00 N ATOM 1339 CZ ARG A 87 30.252 4.983 -5.998 1.00 0.00 C ATOM 1340 NH1 ARG A 87 30.034 3.737 -6.396 1.00 0.00 N ATOM 1341 NH2 ARG A 87 30.952 5.806 -6.767 1.00 0.00 N ATOM 0 H ARG A 87 25.372 4.304 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 87 27.249 6.272 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 87 25.942 5.732 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.469 6.551 -4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.032 3.706 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.511 4.057 -5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.023 4.989 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.443 3.576 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 87 29.956 6.370 -4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 87 29.496 3.101 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 87 30.405 3.415 -7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.122 6.765 -6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 87 31.321 5.479 -7.660 1.00 0.00 H new ATOM 1355 N HIS A 88 24.299 7.386 -3.152 1.00 0.00 N ATOM 1356 CA HIS A 88 23.456 8.575 -3.208 1.00 0.00 C ATOM 1357 C HIS A 88 23.314 9.206 -1.826 1.00 0.00 C ATOM 1358 O HIS A 88 23.057 10.403 -1.705 1.00 0.00 O ATOM 1359 CB HIS A 88 22.077 8.222 -3.766 1.00 0.00 C ATOM 1360 CG HIS A 88 21.018 9.225 -3.424 1.00 0.00 C ATOM 1361 ND1 HIS A 88 20.778 10.353 -4.180 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.134 9.265 -2.400 1.00 0.00 C ATOM 1363 CE1 HIS A 88 19.792 11.043 -3.636 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.383 10.404 -2.555 1.00 0.00 N ATOM 0 H HIS A 88 23.801 6.508 -3.300 1.00 0.00 H new ATOM 0 HA HIS A 88 23.933 9.298 -3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.145 8.133 -4.850 1.00 0.00 H new ATOM 0 HB3 HIS A 88 21.778 7.246 -3.384 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.037 8.537 -1.608 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.389 11.972 -4.011 1.00 0.00 H new ATOM 0 HE2 HIS A 88 18.631 10.707 -1.936 1.00 0.00 H new ATOM 1372 N GLN A 89 23.481 8.391 -0.789 1.00 0.00 N ATOM 1373 CA GLN A 89 23.369 8.870 0.583 1.00 0.00 C ATOM 1374 C GLN A 89 24.741 9.210 1.155 1.00 0.00 C ATOM 1375 O GLN A 89 24.855 9.977 2.111 1.00 0.00 O ATOM 1376 CB GLN A 89 22.685 7.819 1.459 1.00 0.00 C ATOM 1377 CG GLN A 89 21.287 7.451 0.988 1.00 0.00 C ATOM 1378 CD GLN A 89 20.637 6.395 1.859 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.881 6.711 2.779 1.00 0.00 O ATOM 1380 NE2 GLN A 89 20.927 5.131 1.573 1.00 0.00 N ATOM 0 H GLN A 89 23.694 7.397 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 89 22.764 9.776 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.301 6.920 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.629 8.191 2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.663 8.345 0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.337 7.089 -0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.558 4.915 0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.518 4.377 2.125 1.00 0.00 H new ATOM 1389 N VAL A 90 25.783 8.634 0.563 1.00 0.00 N ATOM 1390 CA VAL A 90 27.148 8.876 1.012 1.00 0.00 C ATOM 1391 C VAL A 90 27.800 9.998 0.212 1.00 0.00 C ATOM 1392 O VAL A 90 28.745 10.636 0.674 1.00 0.00 O ATOM 1393 CB VAL A 90 28.012 7.607 0.893 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.471 7.924 1.185 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.497 6.522 1.827 1.00 0.00 C ATOM 0 H VAL A 90 25.707 7.996 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 90 27.088 9.169 2.060 1.00 0.00 H new ATOM 0 HB VAL A 90 27.943 7.237 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 90 30.066 7.015 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.832 8.665 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.562 8.319 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 90 28.119 5.633 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.534 6.880 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.468 6.275 1.566 1.00 0.00 H new ATOM 1405 N GLU A 91 27.287 10.233 -0.992 1.00 0.00 N ATOM 1406 CA GLU A 91 27.820 11.279 -1.858 1.00 0.00 C ATOM 1407 C GLU A 91 27.022 12.571 -1.705 1.00 0.00 C ATOM 1408 O GLU A 91 27.590 13.662 -1.657 1.00 0.00 O ATOM 1409 CB GLU A 91 27.799 10.823 -3.318 1.00 0.00 C ATOM 1410 CG GLU A 91 28.764 9.688 -3.616 1.00 0.00 C ATOM 1411 CD GLU A 91 29.308 9.741 -5.030 1.00 0.00 C ATOM 1412 OE1 GLU A 91 30.249 10.525 -5.274 1.00 0.00 O ATOM 1413 OE2 GLU A 91 28.793 8.999 -5.893 1.00 0.00 O ATOM 0 H GLU A 91 26.504 9.714 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 91 28.851 11.472 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.788 10.506 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.041 11.671 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.594 9.727 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.258 8.735 -3.461 1.00 0.00 H new ATOM 1420 N VAL A 92 25.702 12.439 -1.630 1.00 0.00 N ATOM 1421 CA VAL A 92 24.825 13.594 -1.482 1.00 0.00 C ATOM 1422 C VAL A 92 24.597 13.927 -0.012 1.00 0.00 C ATOM 1423 O VAL A 92 24.981 14.998 0.460 1.00 0.00 O ATOM 1424 CB VAL A 92 23.463 13.355 -2.160 1.00 0.00 C ATOM 1425 CG1 VAL A 92 22.637 14.633 -2.164 1.00 0.00 C ATOM 1426 CG2 VAL A 92 23.657 12.832 -3.576 1.00 0.00 C ATOM 0 H VAL A 92 25.216 11.543 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 92 25.323 14.433 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 92 22.920 12.601 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 92 21.678 14.445 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 92 22.469 14.961 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 92 23.172 15.410 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 92 22.684 12.669 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 92 24.220 13.561 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.206 11.891 -3.544 1.00 0.00 H new ATOM 1436 N HIS A 93 23.971 13.002 0.708 1.00 0.00 N ATOM 1437 CA HIS A 93 23.693 13.196 2.127 1.00 0.00 C ATOM 1438 C HIS A 93 24.944 12.949 2.965 1.00 0.00 C ATOM 1439 O HIS A 93 25.040 13.406 4.103 1.00 0.00 O ATOM 1440 CB HIS A 93 22.569 12.263 2.580 1.00 0.00 C ATOM 1441 CG HIS A 93 21.270 12.505 1.876 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.312 13.381 2.343 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.772 11.981 0.732 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.281 13.384 1.518 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.535 12.543 0.531 1.00 0.00 N ATOM 0 H HIS A 93 23.647 12.111 0.333 1.00 0.00 H new ATOM 0 HA HIS A 93 23.378 14.229 2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.876 11.230 2.414 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.419 12.382 3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.257 11.256 0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.383 13.973 1.631 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.913 12.344 -0.253 1.00 0.00 H new ATOM 1453 N ASN A 94 25.900 12.224 2.393 1.00 0.00 N ATOM 1454 CA ASN A 94 27.144 11.915 3.088 1.00 0.00 C ATOM 1455 C ASN A 94 26.866 11.347 4.476 1.00 0.00 C ATOM 1456 O ASN A 94 27.365 11.859 5.478 1.00 0.00 O ATOM 1457 CB ASN A 94 28.013 13.170 3.203 1.00 0.00 C ATOM 1458 CG ASN A 94 29.271 12.929 4.014 1.00 0.00 C ATOM 1459 OD1 ASN A 94 29.346 13.296 5.187 1.00 0.00 O ATOM 1460 ND2 ASN A 94 30.267 12.310 3.392 1.00 0.00 N ATOM 0 H ASN A 94 25.837 11.840 1.450 1.00 0.00 H new ATOM 0 HA ASN A 94 27.678 11.162 2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.287 13.512 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.433 13.969 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 94 31.138 12.121 3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 94 30.161 12.023 2.419 1.00 0.00 H new ATOM 1467 N GLN A 95 26.066 10.287 4.526 1.00 0.00 N ATOM 1468 CA GLN A 95 25.721 9.649 5.791 1.00 0.00 C ATOM 1469 C GLN A 95 26.291 8.236 5.862 1.00 0.00 C ATOM 1470 O GLN A 95 25.607 7.301 6.276 1.00 0.00 O ATOM 1471 CB GLN A 95 24.203 9.610 5.970 1.00 0.00 C ATOM 1472 CG GLN A 95 23.641 10.833 6.677 1.00 0.00 C ATOM 1473 CD GLN A 95 23.787 10.754 8.184 1.00 0.00 C ATOM 1474 OE1 GLN A 95 23.957 9.672 8.747 1.00 0.00 O ATOM 1475 NE2 GLN A 95 23.721 11.903 8.846 1.00 0.00 N ATOM 0 H GLN A 95 25.645 9.852 3.705 1.00 0.00 H new ATOM 0 HA GLN A 95 26.159 10.238 6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.733 9.519 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.935 8.718 6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.151 11.725 6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.587 10.942 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 95 23.579 12.776 8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 95 23.812 11.912 9.862 1.00 0.00 H new ATOM 1484 N ASN A 96 27.547 8.089 5.454 1.00 0.00 N ATOM 1485 CA ASN A 96 28.208 6.789 5.471 1.00 0.00 C ATOM 1486 C ASN A 96 27.969 6.073 6.797 1.00 0.00 C ATOM 1487 O ASN A 96 27.626 4.892 6.823 1.00 0.00 O ATOM 1488 CB ASN A 96 29.710 6.954 5.231 1.00 0.00 C ATOM 1489 CG ASN A 96 30.502 5.733 5.657 1.00 0.00 C ATOM 1490 OD1 ASN A 96 31.423 5.828 6.468 1.00 0.00 O ATOM 1491 ND2 ASN A 96 30.144 4.577 5.110 1.00 0.00 N ATOM 0 H ASN A 96 28.127 8.853 5.108 1.00 0.00 H new ATOM 0 HA ASN A 96 27.783 6.183 4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 96 29.887 7.147 4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 96 30.069 7.826 5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 96 30.639 3.720 5.358 1.00 0.00 H new ATOM 0 HD22 ASN A 96 29.374 4.546 4.442 1.00 0.00 H new