USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 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 71 THR OG1 : rot 63:sc= 1.19 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 72 CYS SG : rot 50:sc= -0.278 USER MOD Set 2.2: A 75 CYS SG : rot -56:sc= -0.479 USER MOD Set 2.3: A 88 HIS : no HD1:sc= -0.662 K(o=-3.1,f=-7.6!) USER MOD Set 2.4: A 89 GLN : amide:sc= 0.193 K(o=-3.1,f=-3.7) USER MOD Set 2.5: A 93 HIS :FLIP no HD1:sc= -1.86 F(o=-4.7!,f=-3.1) USER MOD Set 3.1: A 45 CYS SG : rot 180:sc= -2.02 USER MOD Set 3.2: A 48 CYS SG : rot -52:sc= -2.94! USER MOD Set 3.3: A 61 HIS : no HD1:sc= -1.13 K(o=-7.8,f=-16!) USER MOD Set 3.4: A 65 CYS SG : rot 56:sc= -1.7! USER MOD Set 4.1: A 19 CYS SG : rot 80:sc= -0.451 USER MOD Set 4.2: A 22 CYS SG : rot -41:sc= 0.757 USER MOD Set 4.3: A 35 HIS : no HD1:sc= 0.45 K(o=-2.2,f=-7.6!) USER MOD Set 4.4: A 39 CYS SG : rot -35:sc= -2.98! 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= -3.54! C(o=-3.5!,f=-3.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -24:sc= 0.148 USER MOD Single : A 28 SER OG : rot 5:sc= 1.03 USER MOD Single : A 32 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.8) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.81! C(o=-1.8!,f=-7.9!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -1.48! USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= -0.0376 (180deg=-0.777) USER MOD Single : A 59 GLN : amide:sc= 0.0383 X(o=0.038,f=-0.043) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 164:sc= -1.35 (180deg=-1.67) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00259) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.4) USER MOD Single : A 95 GLN : amide:sc= -0.624 X(o=-0.62,f=-1) USER MOD Single : A 96 ASN : amide:sc= -1.1! C(o=-1.1!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -38.570 -45.366 15.289 1.00 0.00 N ATOM 9 CA SER A 2 -37.764 -45.684 14.116 1.00 0.00 C ATOM 10 C SER A 2 -38.208 -44.859 12.912 1.00 0.00 C ATOM 11 O SER A 2 -39.067 -45.282 12.139 1.00 0.00 O ATOM 12 CB SER A 2 -37.866 -47.176 13.792 1.00 0.00 C ATOM 13 OG SER A 2 -36.777 -47.599 12.989 1.00 0.00 O ATOM 0 HA SER A 2 -36.726 -45.438 14.340 1.00 0.00 H new ATOM 0 HB2 SER A 2 -37.885 -47.752 14.717 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.804 -47.375 13.273 1.00 0.00 H new ATOM 0 HG SER A 2 -36.864 -48.556 12.797 1.00 0.00 H new ATOM 19 N SER A 3 -37.614 -43.680 12.760 1.00 0.00 N ATOM 20 CA SER A 3 -37.950 -42.792 11.653 1.00 0.00 C ATOM 21 C SER A 3 -36.763 -41.904 11.289 1.00 0.00 C ATOM 22 O SER A 3 -35.794 -41.806 12.040 1.00 0.00 O ATOM 23 CB SER A 3 -39.158 -41.926 12.014 1.00 0.00 C ATOM 24 OG SER A 3 -40.329 -42.713 12.146 1.00 0.00 O ATOM 0 H SER A 3 -36.898 -43.317 13.389 1.00 0.00 H new ATOM 0 HA SER A 3 -38.199 -43.408 10.789 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.964 -41.397 12.947 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.310 -41.169 11.244 1.00 0.00 H new ATOM 0 HG SER A 3 -41.086 -42.136 12.379 1.00 0.00 H new ATOM 30 N GLY A 4 -36.848 -41.259 10.130 1.00 0.00 N ATOM 31 CA GLY A 4 -35.776 -40.388 9.686 1.00 0.00 C ATOM 32 C GLY A 4 -36.017 -39.835 8.295 1.00 0.00 C ATOM 33 O GLY A 4 -36.211 -40.591 7.344 1.00 0.00 O ATOM 0 H GLY A 4 -37.640 -41.324 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.669 -39.562 10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.836 -40.939 9.697 1.00 0.00 H new ATOM 37 N SER A 5 -36.006 -38.511 8.177 1.00 0.00 N ATOM 38 CA SER A 5 -36.231 -37.856 6.893 1.00 0.00 C ATOM 39 C SER A 5 -35.089 -36.900 6.563 1.00 0.00 C ATOM 40 O SER A 5 -34.355 -36.463 7.450 1.00 0.00 O ATOM 41 CB SER A 5 -37.558 -37.096 6.909 1.00 0.00 C ATOM 42 OG SER A 5 -37.955 -36.733 5.598 1.00 0.00 O ATOM 0 H SER A 5 -35.844 -37.871 8.954 1.00 0.00 H new ATOM 0 HA SER A 5 -36.271 -38.626 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.329 -37.715 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 -37.460 -36.201 7.523 1.00 0.00 H new ATOM 0 HG SER A 5 -38.807 -36.250 5.636 1.00 0.00 H new ATOM 48 N SER A 6 -34.944 -36.581 5.281 1.00 0.00 N ATOM 49 CA SER A 6 -33.889 -35.680 4.832 1.00 0.00 C ATOM 50 C SER A 6 -34.357 -34.845 3.644 1.00 0.00 C ATOM 51 O SER A 6 -35.035 -35.345 2.748 1.00 0.00 O ATOM 52 CB SER A 6 -32.639 -36.475 4.450 1.00 0.00 C ATOM 53 OG SER A 6 -31.469 -35.688 4.596 1.00 0.00 O ATOM 0 H SER A 6 -35.544 -36.933 4.535 1.00 0.00 H new ATOM 0 HA SER A 6 -33.646 -35.007 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.564 -37.364 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 6 -32.724 -36.818 3.419 1.00 0.00 H new ATOM 0 HG SER A 6 -30.684 -36.220 4.347 1.00 0.00 H new ATOM 59 N GLY A 7 -33.988 -33.567 3.645 1.00 0.00 N ATOM 60 CA GLY A 7 -34.379 -32.682 2.563 1.00 0.00 C ATOM 61 C GLY A 7 -34.113 -31.224 2.883 1.00 0.00 C ATOM 62 O GLY A 7 -34.593 -30.706 3.891 1.00 0.00 O ATOM 0 H GLY A 7 -33.426 -33.129 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.837 -32.957 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -35.440 -32.817 2.352 1.00 0.00 H new ATOM 66 N ALA A 8 -33.346 -30.562 2.023 1.00 0.00 N ATOM 67 CA ALA A 8 -33.018 -29.155 2.219 1.00 0.00 C ATOM 68 C ALA A 8 -32.899 -28.428 0.884 1.00 0.00 C ATOM 69 O ALA A 8 -32.832 -29.057 -0.172 1.00 0.00 O ATOM 70 CB ALA A 8 -31.727 -29.020 3.013 1.00 0.00 C ATOM 0 H ALA A 8 -32.940 -30.977 1.184 1.00 0.00 H new ATOM 0 HA ALA A 8 -33.828 -28.693 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -31.494 -27.964 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -31.847 -29.496 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -30.914 -29.503 2.470 1.00 0.00 H new ATOM 76 N SER A 9 -32.873 -27.100 0.939 1.00 0.00 N ATOM 77 CA SER A 9 -32.767 -26.288 -0.267 1.00 0.00 C ATOM 78 C SER A 9 -31.453 -25.511 -0.285 1.00 0.00 C ATOM 79 O SER A 9 -31.033 -24.930 0.716 1.00 0.00 O ATOM 80 CB SER A 9 -33.947 -25.318 -0.360 1.00 0.00 C ATOM 81 OG SER A 9 -35.079 -25.947 -0.936 1.00 0.00 O ATOM 0 H SER A 9 -32.924 -26.564 1.805 1.00 0.00 H new ATOM 0 HA SER A 9 -32.786 -26.956 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 9 -34.198 -24.950 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 9 -33.664 -24.452 -0.959 1.00 0.00 H new ATOM 0 HG SER A 9 -35.820 -25.307 -0.983 1.00 0.00 H new ATOM 87 N PRO A 10 -30.789 -25.501 -1.450 1.00 0.00 N ATOM 88 CA PRO A 10 -29.514 -24.799 -1.628 1.00 0.00 C ATOM 89 C PRO A 10 -29.676 -23.283 -1.594 1.00 0.00 C ATOM 90 O PRO A 10 -30.789 -22.771 -1.470 1.00 0.00 O ATOM 91 CB PRO A 10 -29.048 -25.256 -3.012 1.00 0.00 C ATOM 92 CG PRO A 10 -30.300 -25.627 -3.730 1.00 0.00 C ATOM 93 CD PRO A 10 -31.232 -26.172 -2.684 1.00 0.00 C ATOM 0 HA PRO A 10 -28.809 -25.027 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -28.514 -24.461 -3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -28.367 -26.104 -2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -30.736 -24.761 -4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -30.101 -26.371 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -32.273 -25.943 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -31.154 -27.256 -2.602 1.00 0.00 H new ATOM 101 N VAL A 11 -28.560 -22.571 -1.706 1.00 0.00 N ATOM 102 CA VAL A 11 -28.579 -21.113 -1.690 1.00 0.00 C ATOM 103 C VAL A 11 -27.596 -20.539 -2.704 1.00 0.00 C ATOM 104 O VAL A 11 -26.409 -20.864 -2.685 1.00 0.00 O ATOM 105 CB VAL A 11 -28.238 -20.562 -0.293 1.00 0.00 C ATOM 106 CG1 VAL A 11 -26.822 -20.950 0.103 1.00 0.00 C ATOM 107 CG2 VAL A 11 -28.416 -19.052 -0.257 1.00 0.00 C ATOM 0 H VAL A 11 -27.631 -22.980 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 11 -29.591 -20.807 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 11 -28.925 -21.002 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -26.599 -20.552 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -26.734 -22.036 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -26.117 -20.540 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -28.171 -18.680 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -27.755 -18.590 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -29.450 -18.802 -0.493 1.00 0.00 H new ATOM 117 N GLU A 12 -28.098 -19.683 -3.589 1.00 0.00 N ATOM 118 CA GLU A 12 -27.263 -19.064 -4.611 1.00 0.00 C ATOM 119 C GLU A 12 -27.528 -17.564 -4.696 1.00 0.00 C ATOM 120 O GLU A 12 -28.384 -17.034 -3.989 1.00 0.00 O ATOM 121 CB GLU A 12 -27.517 -19.716 -5.972 1.00 0.00 C ATOM 122 CG GLU A 12 -28.961 -19.617 -6.434 1.00 0.00 C ATOM 123 CD GLU A 12 -29.339 -18.215 -6.872 1.00 0.00 C ATOM 124 OE1 GLU A 12 -28.882 -17.787 -7.952 1.00 0.00 O ATOM 125 OE2 GLU A 12 -30.092 -17.547 -6.133 1.00 0.00 O ATOM 0 H GLU A 12 -29.078 -19.403 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 12 -26.220 -19.215 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -26.873 -19.247 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -27.232 -20.767 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -29.122 -20.308 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -29.620 -19.931 -5.624 1.00 0.00 H new ATOM 199 N TYR A 17 -22.797 -7.684 -9.876 1.00 0.00 N ATOM 200 CA TYR A 17 -21.662 -6.991 -10.474 1.00 0.00 C ATOM 201 C TYR A 17 -20.448 -7.037 -9.551 1.00 0.00 C ATOM 202 O TYR A 17 -20.385 -6.318 -8.555 1.00 0.00 O ATOM 203 CB TYR A 17 -22.028 -5.538 -10.780 1.00 0.00 C ATOM 204 CG TYR A 17 -23.284 -5.392 -11.609 1.00 0.00 C ATOM 205 CD1 TYR A 17 -23.626 -6.344 -12.562 1.00 0.00 C ATOM 206 CD2 TYR A 17 -24.129 -4.302 -11.440 1.00 0.00 C ATOM 207 CE1 TYR A 17 -24.772 -6.214 -13.322 1.00 0.00 C ATOM 208 CE2 TYR A 17 -25.278 -4.165 -12.195 1.00 0.00 C ATOM 209 CZ TYR A 17 -25.595 -5.123 -13.135 1.00 0.00 C ATOM 210 OH TYR A 17 -26.738 -4.991 -13.889 1.00 0.00 O ATOM 0 HA TYR A 17 -21.408 -7.499 -11.405 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -22.158 -4.999 -9.841 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -21.198 -5.066 -11.306 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -22.985 -7.200 -12.711 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -23.883 -3.549 -10.706 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -25.022 -6.963 -14.059 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -25.924 -3.312 -12.050 1.00 0.00 H new ATOM 0 HH TYR A 17 -27.206 -4.169 -13.633 1.00 0.00 H new ATOM 220 N GLN A 18 -19.486 -7.889 -9.892 1.00 0.00 N ATOM 221 CA GLN A 18 -18.273 -8.030 -9.095 1.00 0.00 C ATOM 222 C GLN A 18 -17.160 -7.137 -9.634 1.00 0.00 C ATOM 223 O GLN A 18 -17.150 -6.784 -10.814 1.00 0.00 O ATOM 224 CB GLN A 18 -17.812 -9.488 -9.083 1.00 0.00 C ATOM 225 CG GLN A 18 -18.358 -10.289 -7.911 1.00 0.00 C ATOM 226 CD GLN A 18 -18.542 -11.757 -8.243 1.00 0.00 C ATOM 227 OE1 GLN A 18 -19.665 -12.228 -8.422 1.00 0.00 O ATOM 228 NE2 GLN A 18 -17.437 -12.488 -8.326 1.00 0.00 N ATOM 0 H GLN A 18 -19.523 -8.492 -10.714 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.501 -7.720 -8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.120 -9.965 -10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.723 -9.516 -9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.679 -10.194 -7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.315 -9.868 -7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.526 -12.056 -8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.498 -13.482 -8.546 1.00 0.00 H new ATOM 237 N CYS A 19 -16.225 -6.775 -8.763 1.00 0.00 N ATOM 238 CA CYS A 19 -15.107 -5.922 -9.150 1.00 0.00 C ATOM 239 C CYS A 19 -14.024 -6.733 -9.856 1.00 0.00 C ATOM 240 O CYS A 19 -13.742 -7.871 -9.481 1.00 0.00 O ATOM 241 CB CYS A 19 -14.519 -5.226 -7.921 1.00 0.00 C ATOM 242 SG CYS A 19 -13.037 -4.226 -8.271 1.00 0.00 S ATOM 0 H CYS A 19 -16.219 -7.059 -7.783 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.481 -5.167 -9.842 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.282 -4.584 -7.481 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.268 -5.980 -7.175 1.00 0.00 H new ATOM 0 HG CYS A 19 -13.395 -3.081 -8.772 1.00 0.00 H new ATOM 247 N ARG A 20 -13.421 -6.137 -10.880 1.00 0.00 N ATOM 248 CA ARG A 20 -12.370 -6.804 -11.640 1.00 0.00 C ATOM 249 C ARG A 20 -11.021 -6.666 -10.938 1.00 0.00 C ATOM 250 O ARG A 20 -9.968 -6.790 -11.564 1.00 0.00 O ATOM 251 CB ARG A 20 -12.284 -6.221 -13.052 1.00 0.00 C ATOM 252 CG ARG A 20 -13.515 -6.495 -13.900 1.00 0.00 C ATOM 253 CD ARG A 20 -13.661 -7.978 -14.206 1.00 0.00 C ATOM 254 NE ARG A 20 -14.425 -8.211 -15.428 1.00 0.00 N ATOM 255 CZ ARG A 20 -14.699 -9.421 -15.904 1.00 0.00 C ATOM 256 NH1 ARG A 20 -14.274 -10.501 -15.263 1.00 0.00 N ATOM 257 NH2 ARG A 20 -15.400 -9.552 -17.023 1.00 0.00 N ATOM 0 H ARG A 20 -13.642 -5.195 -11.202 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.620 -7.863 -11.706 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.134 -5.144 -12.983 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.409 -6.633 -13.554 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.404 -6.141 -13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.448 -5.935 -14.833 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.673 -8.427 -14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.154 -8.474 -13.370 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.767 -7.401 -15.945 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.735 -10.404 -14.402 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.486 -11.429 -15.631 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.729 -8.723 -17.519 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.610 -10.481 -17.388 1.00 0.00 H new ATOM 271 N LEU A 21 -11.062 -6.409 -9.635 1.00 0.00 N ATOM 272 CA LEU A 21 -9.844 -6.254 -8.848 1.00 0.00 C ATOM 273 C LEU A 21 -9.903 -7.100 -7.581 1.00 0.00 C ATOM 274 O LEU A 21 -8.994 -7.882 -7.300 1.00 0.00 O ATOM 275 CB LEU A 21 -9.633 -4.783 -8.483 1.00 0.00 C ATOM 276 CG LEU A 21 -9.849 -3.774 -9.611 1.00 0.00 C ATOM 277 CD1 LEU A 21 -9.872 -2.356 -9.062 1.00 0.00 C ATOM 278 CD2 LEU A 21 -8.768 -3.920 -10.672 1.00 0.00 C ATOM 0 H LEU A 21 -11.925 -6.304 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.004 -6.596 -9.453 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.307 -4.532 -7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.617 -4.665 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.814 -3.978 -10.074 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.027 -1.652 -9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.683 -2.258 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.923 -2.140 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.938 -3.194 -11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.791 -3.744 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.800 -4.927 -11.088 1.00 0.00 H new ATOM 290 N CYS A 22 -10.980 -6.942 -6.819 1.00 0.00 N ATOM 291 CA CYS A 22 -11.161 -7.692 -5.582 1.00 0.00 C ATOM 292 C CYS A 22 -12.374 -8.613 -5.677 1.00 0.00 C ATOM 293 O CYS A 22 -12.800 -9.198 -4.682 1.00 0.00 O ATOM 294 CB CYS A 22 -11.323 -6.735 -4.400 1.00 0.00 C ATOM 295 SG CYS A 22 -12.664 -5.519 -4.606 1.00 0.00 S ATOM 0 H CYS A 22 -11.742 -6.300 -7.037 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.274 -8.305 -5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -11.511 -7.317 -3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.384 -6.202 -4.246 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.665 -5.077 -5.829 1.00 0.00 H new ATOM 300 N ASN A 23 -12.925 -8.735 -6.880 1.00 0.00 N ATOM 301 CA ASN A 23 -14.089 -9.584 -7.105 1.00 0.00 C ATOM 302 C ASN A 23 -15.110 -9.416 -5.983 1.00 0.00 C ATOM 303 O ASN A 23 -15.734 -10.383 -5.548 1.00 0.00 O ATOM 304 CB ASN A 23 -13.665 -11.051 -7.208 1.00 0.00 C ATOM 305 CG ASN A 23 -12.835 -11.497 -6.020 1.00 0.00 C ATOM 306 OD1 ASN A 23 -11.636 -11.748 -6.146 1.00 0.00 O ATOM 307 ND2 ASN A 23 -13.470 -11.599 -4.859 1.00 0.00 N ATOM 0 H ASN A 23 -12.584 -8.257 -7.714 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.553 -9.280 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.553 -11.679 -7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.092 -11.197 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.963 -11.896 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.465 -11.381 -4.801 1.00 0.00 H new ATOM 314 N ALA A 24 -15.273 -8.181 -5.519 1.00 0.00 N ATOM 315 CA ALA A 24 -16.220 -7.886 -4.451 1.00 0.00 C ATOM 316 C ALA A 24 -17.577 -7.481 -5.015 1.00 0.00 C ATOM 317 O ALA A 24 -17.694 -6.478 -5.720 1.00 0.00 O ATOM 318 CB ALA A 24 -15.672 -6.789 -3.550 1.00 0.00 C ATOM 0 H ALA A 24 -14.762 -7.369 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.358 -8.792 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.389 -6.578 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.730 -7.116 -3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.504 -5.886 -4.137 1.00 0.00 H new ATOM 324 N LYS A 25 -18.601 -8.268 -4.703 1.00 0.00 N ATOM 325 CA LYS A 25 -19.951 -7.991 -5.178 1.00 0.00 C ATOM 326 C LYS A 25 -20.350 -6.550 -4.878 1.00 0.00 C ATOM 327 O LYS A 25 -20.280 -6.101 -3.733 1.00 0.00 O ATOM 328 CB LYS A 25 -20.949 -8.953 -4.529 1.00 0.00 C ATOM 329 CG LYS A 25 -20.894 -10.361 -5.096 1.00 0.00 C ATOM 330 CD LYS A 25 -21.958 -11.253 -4.479 1.00 0.00 C ATOM 331 CE LYS A 25 -21.705 -12.720 -4.790 1.00 0.00 C ATOM 332 NZ LYS A 25 -22.651 -13.612 -4.065 1.00 0.00 N ATOM 0 H LYS A 25 -18.521 -9.103 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.965 -8.135 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.756 -8.994 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.957 -8.558 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.031 -10.324 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.908 -10.789 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.975 -11.107 -3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.939 -10.964 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.800 -12.885 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.682 -12.978 -4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.446 -14.603 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.543 -13.473 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.626 -13.384 -4.344 1.00 0.00 H new ATOM 346 N LEU A 26 -20.769 -5.829 -5.912 1.00 0.00 N ATOM 347 CA LEU A 26 -21.180 -4.438 -5.759 1.00 0.00 C ATOM 348 C LEU A 26 -22.678 -4.340 -5.488 1.00 0.00 C ATOM 349 O LEU A 26 -23.363 -5.354 -5.355 1.00 0.00 O ATOM 350 CB LEU A 26 -20.824 -3.639 -7.014 1.00 0.00 C ATOM 351 CG LEU A 26 -19.423 -3.027 -7.044 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.111 -2.341 -5.723 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.382 -4.093 -7.352 1.00 0.00 C ATOM 0 H LEU A 26 -20.833 -6.185 -6.866 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.647 -4.019 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -20.932 -4.293 -7.880 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.552 -2.836 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.392 -2.278 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.110 -1.912 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.838 -1.549 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.161 -3.070 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.391 -3.639 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.414 -4.866 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.594 -4.539 -8.324 1.00 0.00 H new ATOM 365 N SER A 27 -23.181 -3.112 -5.410 1.00 0.00 N ATOM 366 CA SER A 27 -24.598 -2.881 -5.154 1.00 0.00 C ATOM 367 C SER A 27 -25.319 -2.459 -6.430 1.00 0.00 C ATOM 368 O SER A 27 -26.548 -2.489 -6.501 1.00 0.00 O ATOM 369 CB SER A 27 -24.775 -1.809 -4.076 1.00 0.00 C ATOM 370 OG SER A 27 -26.146 -1.518 -3.867 1.00 0.00 O ATOM 0 H SER A 27 -22.628 -2.262 -5.520 1.00 0.00 H new ATOM 0 HA SER A 27 -25.035 -3.815 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.326 -2.149 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.248 -0.902 -4.371 1.00 0.00 H new ATOM 0 HG SER A 27 -26.656 -1.753 -4.670 1.00 0.00 H new ATOM 376 N SER A 28 -24.546 -2.066 -7.437 1.00 0.00 N ATOM 377 CA SER A 28 -25.109 -1.634 -8.710 1.00 0.00 C ATOM 378 C SER A 28 -24.010 -1.423 -9.747 1.00 0.00 C ATOM 379 O SER A 28 -22.824 -1.404 -9.417 1.00 0.00 O ATOM 380 CB SER A 28 -25.908 -0.341 -8.527 1.00 0.00 C ATOM 381 OG SER A 28 -27.164 -0.599 -7.923 1.00 0.00 O ATOM 0 H SER A 28 -23.527 -2.038 -7.396 1.00 0.00 H new ATOM 0 HA SER A 28 -25.777 -2.418 -9.068 1.00 0.00 H new ATOM 0 HB2 SER A 28 -25.341 0.357 -7.911 1.00 0.00 H new ATOM 0 HB3 SER A 28 -26.058 0.138 -9.495 1.00 0.00 H new ATOM 0 HG SER A 28 -27.223 -1.547 -7.684 1.00 0.00 H new ATOM 387 N LEU A 29 -24.414 -1.265 -11.003 1.00 0.00 N ATOM 388 CA LEU A 29 -23.464 -1.055 -12.091 1.00 0.00 C ATOM 389 C LEU A 29 -22.569 0.147 -11.808 1.00 0.00 C ATOM 390 O LEU A 29 -21.377 0.134 -12.120 1.00 0.00 O ATOM 391 CB LEU A 29 -24.209 -0.851 -13.412 1.00 0.00 C ATOM 392 CG LEU A 29 -23.483 -1.325 -14.671 1.00 0.00 C ATOM 393 CD1 LEU A 29 -23.468 -2.844 -14.739 1.00 0.00 C ATOM 394 CD2 LEU A 29 -24.135 -0.740 -15.915 1.00 0.00 C ATOM 0 H LEU A 29 -25.392 -1.278 -11.293 1.00 0.00 H new ATOM 0 HA LEU A 29 -22.835 -1.942 -12.168 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -25.165 -1.370 -13.351 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -24.429 0.211 -13.522 1.00 0.00 H new ATOM 0 HG LEU A 29 -22.452 -0.974 -14.626 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -22.947 -3.163 -15.642 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -22.954 -3.242 -13.864 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -24.492 -3.217 -14.760 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -23.605 -1.088 -16.802 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -25.176 -1.060 -15.965 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -24.092 0.348 -15.871 1.00 0.00 H new ATOM 406 N LEU A 30 -23.149 1.184 -11.214 1.00 0.00 N ATOM 407 CA LEU A 30 -22.404 2.394 -10.886 1.00 0.00 C ATOM 408 C LEU A 30 -21.299 2.096 -9.876 1.00 0.00 C ATOM 409 O LEU A 30 -20.129 2.387 -10.120 1.00 0.00 O ATOM 410 CB LEU A 30 -23.346 3.462 -10.328 1.00 0.00 C ATOM 411 CG LEU A 30 -22.912 4.914 -10.533 1.00 0.00 C ATOM 412 CD1 LEU A 30 -23.449 5.450 -11.851 1.00 0.00 C ATOM 413 CD2 LEU A 30 -23.380 5.779 -9.373 1.00 0.00 C ATOM 0 H LEU A 30 -24.134 1.211 -10.950 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.944 2.767 -11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -24.326 3.329 -10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -23.468 3.288 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.823 4.947 -10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.130 6.484 -11.980 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -23.064 4.846 -12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -24.538 5.404 -11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.062 6.809 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.467 5.741 -9.306 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.946 5.408 -8.444 1.00 0.00 H new ATOM 425 N GLU A 31 -21.681 1.513 -8.744 1.00 0.00 N ATOM 426 CA GLU A 31 -20.722 1.175 -7.699 1.00 0.00 C ATOM 427 C GLU A 31 -19.515 0.447 -8.283 1.00 0.00 C ATOM 428 O GLU A 31 -18.408 0.538 -7.753 1.00 0.00 O ATOM 429 CB GLU A 31 -21.386 0.308 -6.628 1.00 0.00 C ATOM 430 CG GLU A 31 -20.833 0.534 -5.231 1.00 0.00 C ATOM 431 CD GLU A 31 -21.763 0.029 -4.146 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.772 0.709 -3.866 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.482 -1.046 -3.576 1.00 0.00 O ATOM 0 H GLU A 31 -22.646 1.265 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.378 2.103 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.457 0.510 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.261 -0.742 -6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.869 0.033 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.653 1.599 -5.083 1.00 0.00 H new ATOM 440 N GLN A 32 -19.739 -0.274 -9.376 1.00 0.00 N ATOM 441 CA GLN A 32 -18.670 -1.019 -10.031 1.00 0.00 C ATOM 442 C GLN A 32 -17.722 -0.078 -10.766 1.00 0.00 C ATOM 443 O GLN A 32 -16.504 -0.242 -10.714 1.00 0.00 O ATOM 444 CB GLN A 32 -19.256 -2.039 -11.010 1.00 0.00 C ATOM 445 CG GLN A 32 -18.267 -3.114 -11.432 1.00 0.00 C ATOM 446 CD GLN A 32 -18.832 -4.042 -12.490 1.00 0.00 C ATOM 447 OE1 GLN A 32 -19.941 -3.838 -12.983 1.00 0.00 O ATOM 448 NE2 GLN A 32 -18.069 -5.070 -12.844 1.00 0.00 N ATOM 0 H GLN A 32 -20.650 -0.358 -9.827 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.105 -1.547 -9.262 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.123 -2.514 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.612 -1.516 -11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.363 -2.641 -11.814 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.976 -3.698 -10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.156 -5.201 -12.409 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.396 -5.729 -13.551 1.00 0.00 H new ATOM 457 N GLY A 33 -18.290 0.909 -11.453 1.00 0.00 N ATOM 458 CA GLY A 33 -17.480 1.862 -12.189 1.00 0.00 C ATOM 459 C GLY A 33 -16.731 2.814 -11.278 1.00 0.00 C ATOM 460 O GLY A 33 -15.633 3.263 -11.605 1.00 0.00 O ATOM 0 H GLY A 33 -19.296 1.065 -11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.766 1.323 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.119 2.435 -12.861 1.00 0.00 H new ATOM 464 N SER A 34 -17.326 3.123 -10.130 1.00 0.00 N ATOM 465 CA SER A 34 -16.710 4.032 -9.170 1.00 0.00 C ATOM 466 C SER A 34 -15.755 3.281 -8.247 1.00 0.00 C ATOM 467 O SER A 34 -14.628 3.718 -8.013 1.00 0.00 O ATOM 468 CB SER A 34 -17.785 4.740 -8.344 1.00 0.00 C ATOM 469 OG SER A 34 -18.217 5.930 -8.980 1.00 0.00 O ATOM 0 H SER A 34 -18.234 2.757 -9.842 1.00 0.00 H new ATOM 0 HA SER A 34 -16.140 4.777 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.635 4.073 -8.199 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.392 4.975 -7.355 1.00 0.00 H new ATOM 0 HG SER A 34 -18.905 6.362 -8.432 1.00 0.00 H new ATOM 475 N HIS A 35 -16.214 2.148 -7.725 1.00 0.00 N ATOM 476 CA HIS A 35 -15.401 1.335 -6.828 1.00 0.00 C ATOM 477 C HIS A 35 -14.045 1.024 -7.454 1.00 0.00 C ATOM 478 O HIS A 35 -13.068 0.777 -6.749 1.00 0.00 O ATOM 479 CB HIS A 35 -16.128 0.034 -6.485 1.00 0.00 C ATOM 480 CG HIS A 35 -15.279 -0.947 -5.738 1.00 0.00 C ATOM 481 ND1 HIS A 35 -15.179 -0.963 -4.362 1.00 0.00 N ATOM 482 CD2 HIS A 35 -14.488 -1.952 -6.182 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.362 -1.933 -3.993 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.930 -2.549 -5.079 1.00 0.00 N ATOM 0 H HIS A 35 -17.144 1.772 -7.908 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.236 1.903 -5.912 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -17.010 0.267 -5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.480 -0.430 -7.407 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.326 -2.232 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.093 -2.180 -2.977 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.286 -3.340 -5.095 1.00 0.00 H new ATOM 492 N GLU A 36 -13.995 1.038 -8.783 1.00 0.00 N ATOM 493 CA GLU A 36 -12.760 0.756 -9.503 1.00 0.00 C ATOM 494 C GLU A 36 -11.792 1.932 -9.405 1.00 0.00 C ATOM 495 O GLU A 36 -10.579 1.764 -9.536 1.00 0.00 O ATOM 496 CB GLU A 36 -13.058 0.448 -10.972 1.00 0.00 C ATOM 497 CG GLU A 36 -13.430 -1.003 -11.226 1.00 0.00 C ATOM 498 CD GLU A 36 -13.025 -1.476 -12.608 1.00 0.00 C ATOM 499 OE1 GLU A 36 -13.266 -0.735 -13.584 1.00 0.00 O ATOM 500 OE2 GLU A 36 -12.466 -2.588 -12.714 1.00 0.00 O ATOM 0 H GLU A 36 -14.795 1.242 -9.382 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.294 -0.116 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.873 1.088 -11.311 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.184 0.701 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.952 -1.633 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.506 -1.125 -11.106 1.00 0.00 H new ATOM 507 N ARG A 37 -12.338 3.122 -9.174 1.00 0.00 N ATOM 508 CA ARG A 37 -11.524 4.326 -9.060 1.00 0.00 C ATOM 509 C ARG A 37 -10.737 4.329 -7.753 1.00 0.00 C ATOM 510 O ARG A 37 -9.544 4.634 -7.735 1.00 0.00 O ATOM 511 CB ARG A 37 -12.407 5.573 -9.140 1.00 0.00 C ATOM 512 CG ARG A 37 -12.725 6.005 -10.562 1.00 0.00 C ATOM 513 CD ARG A 37 -13.867 7.009 -10.597 1.00 0.00 C ATOM 514 NE ARG A 37 -13.406 8.371 -10.341 1.00 0.00 N ATOM 515 CZ ARG A 37 -14.211 9.364 -9.983 1.00 0.00 C ATOM 516 NH1 ARG A 37 -15.512 9.148 -9.839 1.00 0.00 N ATOM 517 NH2 ARG A 37 -13.717 10.576 -9.768 1.00 0.00 N ATOM 0 H ARG A 37 -13.340 3.278 -9.062 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.817 4.336 -9.889 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.340 5.381 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.910 6.394 -8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.838 6.446 -11.017 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.989 5.132 -11.158 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.356 6.969 -11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.615 6.734 -9.853 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.411 8.570 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.896 8.217 -10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.129 9.913 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.717 10.746 -9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.337 11.338 -9.493 1.00 0.00 H new ATOM 531 N LEU A 38 -11.412 3.988 -6.661 1.00 0.00 N ATOM 532 CA LEU A 38 -10.777 3.952 -5.349 1.00 0.00 C ATOM 533 C LEU A 38 -10.043 2.631 -5.136 1.00 0.00 C ATOM 534 O LEU A 38 -9.037 2.575 -4.427 1.00 0.00 O ATOM 535 CB LEU A 38 -11.821 4.151 -4.249 1.00 0.00 C ATOM 536 CG LEU A 38 -13.202 3.552 -4.518 1.00 0.00 C ATOM 537 CD1 LEU A 38 -13.838 3.072 -3.222 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.099 4.568 -5.210 1.00 0.00 C ATOM 0 H LEU A 38 -12.399 3.732 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.050 4.763 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.434 3.720 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.938 5.221 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.082 2.694 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.820 2.649 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.205 2.310 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.945 3.912 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.077 4.124 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.212 5.446 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.651 4.863 -6.159 1.00 0.00 H new ATOM 550 N CYS A 39 -10.551 1.571 -5.754 1.00 0.00 N ATOM 551 CA CYS A 39 -9.944 0.251 -5.635 1.00 0.00 C ATOM 552 C CYS A 39 -8.670 0.161 -6.470 1.00 0.00 C ATOM 553 O CYS A 39 -8.065 -0.906 -6.585 1.00 0.00 O ATOM 554 CB CYS A 39 -10.933 -0.830 -6.074 1.00 0.00 C ATOM 555 SG CYS A 39 -10.314 -2.531 -5.871 1.00 0.00 S ATOM 0 H CYS A 39 -11.383 1.600 -6.343 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.683 0.091 -4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.854 -0.719 -5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.188 -0.670 -7.122 1.00 0.00 H new ATOM 0 HG CYS A 39 -9.035 -2.558 -6.102 1.00 0.00 H new ATOM 560 N ARG A 40 -8.269 1.286 -7.051 1.00 0.00 N ATOM 561 CA ARG A 40 -7.069 1.334 -7.877 1.00 0.00 C ATOM 562 C ARG A 40 -6.021 2.257 -7.260 1.00 0.00 C ATOM 563 O ARG A 40 -4.820 2.048 -7.427 1.00 0.00 O ATOM 564 CB ARG A 40 -7.414 1.810 -9.290 1.00 0.00 C ATOM 565 CG ARG A 40 -6.339 1.494 -10.318 1.00 0.00 C ATOM 566 CD ARG A 40 -6.595 0.159 -10.999 1.00 0.00 C ATOM 567 NE ARG A 40 -5.834 0.022 -12.238 1.00 0.00 N ATOM 568 CZ ARG A 40 -6.191 -0.780 -13.234 1.00 0.00 C ATOM 569 NH1 ARG A 40 -7.291 -1.514 -13.138 1.00 0.00 N ATOM 570 NH2 ARG A 40 -5.446 -0.850 -14.330 1.00 0.00 N ATOM 0 H ARG A 40 -8.758 2.177 -6.965 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.656 0.327 -7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.350 1.347 -9.602 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.581 2.887 -9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.306 2.285 -11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.364 1.475 -9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.330 -0.651 -10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.659 0.060 -11.214 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.982 0.572 -12.344 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.866 -1.464 -12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.562 -2.129 -13.905 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.599 -0.288 -14.407 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.721 -1.466 -15.095 1.00 0.00 H new ATOM 584 N ASN A 41 -6.485 3.278 -6.547 1.00 0.00 N ATOM 585 CA ASN A 41 -5.589 4.233 -5.907 1.00 0.00 C ATOM 586 C ASN A 41 -5.808 4.257 -4.397 1.00 0.00 C ATOM 587 O ASN A 41 -5.388 5.189 -3.713 1.00 0.00 O ATOM 588 CB ASN A 41 -5.803 5.633 -6.486 1.00 0.00 C ATOM 589 CG ASN A 41 -7.135 6.231 -6.077 1.00 0.00 C ATOM 590 OD1 ASN A 41 -7.818 5.709 -5.196 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.510 7.332 -6.717 1.00 0.00 N ATOM 0 H ASN A 41 -7.477 3.465 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.564 3.919 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.997 6.287 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.748 5.586 -7.574 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.397 7.780 -6.485 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.912 7.730 -7.441 1.00 0.00 H new ATOM 598 N ALA A 42 -6.470 3.224 -3.884 1.00 0.00 N ATOM 599 CA ALA A 42 -6.743 3.125 -2.456 1.00 0.00 C ATOM 600 C ALA A 42 -5.449 3.129 -1.648 1.00 0.00 C ATOM 601 O ALA A 42 -5.233 4.002 -0.808 1.00 0.00 O ATOM 602 CB ALA A 42 -7.549 1.870 -2.159 1.00 0.00 C ATOM 0 H ALA A 42 -6.827 2.444 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.327 3.997 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.746 1.809 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.494 1.908 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.985 0.992 -2.475 1.00 0.00 H new ATOM 608 N ALA A 43 -4.592 2.146 -1.908 1.00 0.00 N ATOM 609 CA ALA A 43 -3.320 2.038 -1.205 1.00 0.00 C ATOM 610 C ALA A 43 -2.156 1.950 -2.188 1.00 0.00 C ATOM 611 O ALA A 43 -1.887 0.890 -2.753 1.00 0.00 O ATOM 612 CB ALA A 43 -3.327 0.827 -0.284 1.00 0.00 C ATOM 0 H ALA A 43 -4.756 1.414 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.188 2.937 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.371 0.759 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.129 0.930 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.486 -0.077 -0.872 1.00 0.00 H new ATOM 618 N VAL A 44 -1.470 3.071 -2.387 1.00 0.00 N ATOM 619 CA VAL A 44 -0.335 3.120 -3.301 1.00 0.00 C ATOM 620 C VAL A 44 0.958 3.432 -2.555 1.00 0.00 C ATOM 621 O VAL A 44 1.228 4.583 -2.213 1.00 0.00 O ATOM 622 CB VAL A 44 -0.547 4.176 -4.402 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.629 4.185 -5.367 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.852 3.921 -5.141 1.00 0.00 C ATOM 0 H VAL A 44 -1.680 3.957 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.257 2.135 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.608 5.158 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.461 4.937 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.544 4.420 -4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.725 3.204 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.985 4.677 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.823 2.933 -5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.684 3.971 -4.438 1.00 0.00 H new ATOM 634 N CYS A 45 1.754 2.398 -2.306 1.00 0.00 N ATOM 635 CA CYS A 45 3.020 2.559 -1.601 1.00 0.00 C ATOM 636 C CYS A 45 3.935 3.530 -2.341 1.00 0.00 C ATOM 637 O CYS A 45 4.298 3.321 -3.499 1.00 0.00 O ATOM 638 CB CYS A 45 3.716 1.206 -1.442 1.00 0.00 C ATOM 639 SG CYS A 45 5.240 1.266 -0.447 1.00 0.00 S ATOM 0 H CYS A 45 1.545 1.439 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 45 2.807 2.968 -0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.021 0.504 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.956 0.814 -2.431 1.00 0.00 H new ATOM 0 HG CYS A 45 5.754 0.075 -0.369 1.00 0.00 H new ATOM 644 N PRO A 46 4.318 4.620 -1.658 1.00 0.00 N ATOM 645 CA PRO A 46 5.195 5.645 -2.230 1.00 0.00 C ATOM 646 C PRO A 46 6.623 5.144 -2.423 1.00 0.00 C ATOM 647 O PRO A 46 7.516 5.909 -2.788 1.00 0.00 O ATOM 648 CB PRO A 46 5.158 6.765 -1.188 1.00 0.00 C ATOM 649 CG PRO A 46 4.824 6.081 0.092 1.00 0.00 C ATOM 650 CD PRO A 46 3.923 4.934 -0.275 1.00 0.00 C ATOM 0 HA PRO A 46 4.866 5.956 -3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.118 7.278 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.411 7.517 -1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.725 5.725 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.326 6.763 0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.068 4.081 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.871 5.213 -0.211 1.00 0.00 H new ATOM 658 N TYR A 47 6.831 3.855 -2.176 1.00 0.00 N ATOM 659 CA TYR A 47 8.151 3.253 -2.321 1.00 0.00 C ATOM 660 C TYR A 47 8.250 2.465 -3.624 1.00 0.00 C ATOM 661 O TYR A 47 9.055 2.788 -4.498 1.00 0.00 O ATOM 662 CB TYR A 47 8.448 2.335 -1.134 1.00 0.00 C ATOM 663 CG TYR A 47 8.395 3.039 0.203 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.901 4.324 0.355 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.840 2.418 1.315 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.855 4.971 1.575 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.789 3.057 2.539 1.00 0.00 C ATOM 668 CZ TYR A 47 8.297 4.333 2.663 1.00 0.00 C ATOM 669 OH TYR A 47 8.249 4.973 3.881 1.00 0.00 O ATOM 0 H TYR A 47 6.103 3.208 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 47 8.888 4.056 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.731 1.514 -1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.436 1.894 -1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.338 4.826 -0.496 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.442 1.419 1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.253 5.970 1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.354 2.560 3.394 1.00 0.00 H new ATOM 0 HH TYR A 47 7.824 4.387 4.542 1.00 0.00 H new ATOM 679 N CYS A 48 7.425 1.431 -3.747 1.00 0.00 N ATOM 680 CA CYS A 48 7.418 0.596 -4.942 1.00 0.00 C ATOM 681 C CYS A 48 6.259 0.972 -5.862 1.00 0.00 C ATOM 682 O CYS A 48 6.234 0.592 -7.032 1.00 0.00 O ATOM 683 CB CYS A 48 7.319 -0.881 -4.557 1.00 0.00 C ATOM 684 SG CYS A 48 5.961 -1.259 -3.403 1.00 0.00 S ATOM 0 H CYS A 48 6.752 1.151 -3.033 1.00 0.00 H new ATOM 0 HA CYS A 48 8.353 0.763 -5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.188 -1.473 -5.462 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.262 -1.192 -4.107 1.00 0.00 H new ATOM 0 HG CYS A 48 6.032 -0.467 -2.374 1.00 0.00 H new ATOM 689 N SER A 49 5.302 1.721 -5.323 1.00 0.00 N ATOM 690 CA SER A 49 4.139 2.146 -6.093 1.00 0.00 C ATOM 691 C SER A 49 3.166 0.987 -6.291 1.00 0.00 C ATOM 692 O SER A 49 2.594 0.819 -7.369 1.00 0.00 O ATOM 693 CB SER A 49 4.574 2.699 -7.451 1.00 0.00 C ATOM 694 OG SER A 49 3.623 3.621 -7.955 1.00 0.00 O ATOM 0 H SER A 49 5.309 2.046 -4.356 1.00 0.00 H new ATOM 0 HA SER A 49 3.632 2.933 -5.534 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.543 3.188 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.700 1.879 -8.158 1.00 0.00 H new ATOM 0 HG SER A 49 3.925 3.961 -8.823 1.00 0.00 H new ATOM 700 N LEU A 50 2.984 0.190 -5.244 1.00 0.00 N ATOM 701 CA LEU A 50 2.081 -0.954 -5.301 1.00 0.00 C ATOM 702 C LEU A 50 0.625 -0.499 -5.301 1.00 0.00 C ATOM 703 O LEU A 50 0.339 0.697 -5.351 1.00 0.00 O ATOM 704 CB LEU A 50 2.335 -1.889 -4.118 1.00 0.00 C ATOM 705 CG LEU A 50 3.299 -3.048 -4.373 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.813 -3.615 -3.059 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.622 -4.134 -5.196 1.00 0.00 C ATOM 0 H LEU A 50 3.450 0.315 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 50 2.274 -1.492 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.722 -1.296 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.379 -2.302 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 50 4.150 -2.669 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.498 -4.439 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.337 -2.835 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.973 -3.978 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.323 -4.951 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.752 -4.510 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.305 -3.721 -6.153 1.00 0.00 H new ATOM 719 N ARG A 51 -0.290 -1.461 -5.241 1.00 0.00 N ATOM 720 CA ARG A 51 -1.716 -1.158 -5.233 1.00 0.00 C ATOM 721 C ARG A 51 -2.493 -2.224 -4.466 1.00 0.00 C ATOM 722 O ARG A 51 -2.686 -3.338 -4.954 1.00 0.00 O ATOM 723 CB ARG A 51 -2.246 -1.057 -6.664 1.00 0.00 C ATOM 724 CG ARG A 51 -1.664 0.108 -7.448 1.00 0.00 C ATOM 725 CD ARG A 51 -2.110 0.080 -8.901 1.00 0.00 C ATOM 726 NE ARG A 51 -1.683 -1.139 -9.582 1.00 0.00 N ATOM 727 CZ ARG A 51 -0.428 -1.374 -9.949 1.00 0.00 C ATOM 728 NH1 ARG A 51 0.518 -0.478 -9.702 1.00 0.00 N ATOM 729 NH2 ARG A 51 -0.117 -2.508 -10.564 1.00 0.00 N ATOM 0 H ARG A 51 -0.069 -2.456 -5.197 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.856 -0.200 -4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.025 -1.985 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.331 -0.958 -6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.973 1.047 -6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.576 0.073 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.196 0.160 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.704 0.947 -9.422 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.386 -1.849 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.283 0.395 -9.229 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.481 -0.661 -9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.842 -3.200 -10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.847 -2.688 -10.846 1.00 0.00 H new ATOM 743 N PHE A 52 -2.937 -1.875 -3.263 1.00 0.00 N ATOM 744 CA PHE A 52 -3.691 -2.802 -2.428 1.00 0.00 C ATOM 745 C PHE A 52 -5.165 -2.408 -2.372 1.00 0.00 C ATOM 746 O PHE A 52 -5.502 -1.224 -2.366 1.00 0.00 O ATOM 747 CB PHE A 52 -3.108 -2.839 -1.014 1.00 0.00 C ATOM 748 CG PHE A 52 -1.629 -3.100 -0.982 1.00 0.00 C ATOM 749 CD1 PHE A 52 -0.728 -2.100 -1.314 1.00 0.00 C ATOM 750 CD2 PHE A 52 -1.139 -4.344 -0.621 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.633 -2.338 -1.287 1.00 0.00 C ATOM 752 CE2 PHE A 52 0.221 -4.588 -0.592 1.00 0.00 C ATOM 753 CZ PHE A 52 1.108 -3.583 -0.924 1.00 0.00 C ATOM 0 H PHE A 52 -2.788 -0.957 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.614 -3.795 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.312 -1.889 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.618 -3.612 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.094 -1.124 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.828 -5.133 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.325 -1.551 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.590 -5.563 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.171 -3.770 -0.900 1.00 0.00 H new ATOM 763 N PHE A 53 -6.038 -3.409 -2.331 1.00 0.00 N ATOM 764 CA PHE A 53 -7.475 -3.168 -2.277 1.00 0.00 C ATOM 765 C PHE A 53 -7.819 -2.179 -1.168 1.00 0.00 C ATOM 766 O PHE A 53 -8.637 -1.278 -1.356 1.00 0.00 O ATOM 767 CB PHE A 53 -8.226 -4.483 -2.054 1.00 0.00 C ATOM 768 CG PHE A 53 -9.560 -4.306 -1.388 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.427 -3.306 -1.799 1.00 0.00 C ATOM 770 CD2 PHE A 53 -9.947 -5.138 -0.350 1.00 0.00 C ATOM 771 CE1 PHE A 53 -11.656 -3.140 -1.188 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.175 -4.978 0.264 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.030 -3.977 -0.155 1.00 0.00 C ATOM 0 H PHE A 53 -5.775 -4.395 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.782 -2.739 -3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.371 -4.977 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -7.610 -5.145 -1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.139 -2.649 -2.606 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.282 -5.921 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.323 -2.357 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.466 -5.635 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 53 -12.989 -3.849 0.324 1.00 0.00 H new ATOM 783 N SER A 54 -7.190 -2.353 -0.010 1.00 0.00 N ATOM 784 CA SER A 54 -7.432 -1.479 1.132 1.00 0.00 C ATOM 785 C SER A 54 -6.159 -0.736 1.527 1.00 0.00 C ATOM 786 O SER A 54 -5.043 -1.216 1.329 1.00 0.00 O ATOM 787 CB SER A 54 -7.953 -2.290 2.320 1.00 0.00 C ATOM 788 OG SER A 54 -9.019 -1.618 2.968 1.00 0.00 O ATOM 0 H SER A 54 -6.508 -3.092 0.162 1.00 0.00 H new ATOM 0 HA SER A 54 -8.185 -0.745 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.291 -3.268 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.144 -2.463 3.029 1.00 0.00 H new ATOM 0 HG SER A 54 -9.335 -2.158 3.722 1.00 0.00 H new ATOM 794 N PRO A 55 -6.330 0.465 2.099 1.00 0.00 N ATOM 795 CA PRO A 55 -5.207 1.301 2.534 1.00 0.00 C ATOM 796 C PRO A 55 -4.486 0.718 3.745 1.00 0.00 C ATOM 797 O PRO A 55 -3.346 1.080 4.033 1.00 0.00 O ATOM 798 CB PRO A 55 -5.874 2.629 2.898 1.00 0.00 C ATOM 799 CG PRO A 55 -7.277 2.267 3.244 1.00 0.00 C ATOM 800 CD PRO A 55 -7.632 1.099 2.365 1.00 0.00 C ATOM 0 HA PRO A 55 -4.442 1.390 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.370 3.108 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.840 3.330 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.363 2.003 4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.951 3.106 3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.318 0.414 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.117 1.422 1.444 1.00 0.00 H new ATOM 808 N GLU A 56 -5.158 -0.188 4.449 1.00 0.00 N ATOM 809 CA GLU A 56 -4.579 -0.820 5.629 1.00 0.00 C ATOM 810 C GLU A 56 -3.602 -1.923 5.231 1.00 0.00 C ATOM 811 O GLU A 56 -2.558 -2.098 5.859 1.00 0.00 O ATOM 812 CB GLU A 56 -5.683 -1.397 6.518 1.00 0.00 C ATOM 813 CG GLU A 56 -6.194 -0.421 7.565 1.00 0.00 C ATOM 814 CD GLU A 56 -6.630 0.902 6.965 1.00 0.00 C ATOM 815 OE1 GLU A 56 -5.766 1.787 6.791 1.00 0.00 O ATOM 816 OE2 GLU A 56 -7.834 1.052 6.671 1.00 0.00 O ATOM 0 H GLU A 56 -6.102 -0.500 4.223 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.033 -0.059 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.516 -1.712 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.306 -2.289 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.034 -0.870 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.411 -0.241 8.302 1.00 0.00 H new ATOM 823 N LEU A 57 -3.950 -2.663 4.184 1.00 0.00 N ATOM 824 CA LEU A 57 -3.105 -3.750 3.702 1.00 0.00 C ATOM 825 C LEU A 57 -1.725 -3.233 3.308 1.00 0.00 C ATOM 826 O LEU A 57 -0.705 -3.840 3.636 1.00 0.00 O ATOM 827 CB LEU A 57 -3.763 -4.442 2.507 1.00 0.00 C ATOM 828 CG LEU A 57 -4.716 -5.591 2.838 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.600 -5.913 1.644 1.00 0.00 C ATOM 830 CD2 LEU A 57 -3.935 -6.823 3.274 1.00 0.00 C ATOM 0 H LEU A 57 -4.811 -2.530 3.653 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.985 -4.471 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.313 -3.693 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.977 -4.825 1.856 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.356 -5.280 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.271 -6.733 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.186 -5.034 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.977 -6.204 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.629 -7.631 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.270 -7.136 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.346 -6.586 4.160 1.00 0.00 H new ATOM 842 N LYS A 58 -1.700 -2.106 2.604 1.00 0.00 N ATOM 843 CA LYS A 58 -0.446 -1.504 2.167 1.00 0.00 C ATOM 844 C LYS A 58 0.436 -1.157 3.362 1.00 0.00 C ATOM 845 O LYS A 58 1.624 -1.478 3.382 1.00 0.00 O ATOM 846 CB LYS A 58 -0.721 -0.246 1.341 1.00 0.00 C ATOM 847 CG LYS A 58 0.537 0.498 0.929 1.00 0.00 C ATOM 848 CD LYS A 58 0.961 1.505 1.985 1.00 0.00 C ATOM 849 CE LYS A 58 0.271 2.846 1.786 1.00 0.00 C ATOM 850 NZ LYS A 58 -0.967 2.959 2.606 1.00 0.00 N ATOM 0 H LYS A 58 -2.535 -1.591 2.324 1.00 0.00 H new ATOM 0 HA LYS A 58 0.080 -2.230 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.278 -0.524 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.358 0.425 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.344 -0.215 0.761 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.364 1.012 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.724 1.116 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.042 1.641 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.957 3.650 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.022 2.974 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.163 3.961 2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.767 2.545 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.837 2.450 3.503 1.00 0.00 H new ATOM 864 N GLN A 59 -0.153 -0.501 4.357 1.00 0.00 N ATOM 865 CA GLN A 59 0.580 -0.113 5.556 1.00 0.00 C ATOM 866 C GLN A 59 1.524 -1.224 6.001 1.00 0.00 C ATOM 867 O GLN A 59 2.733 -1.020 6.105 1.00 0.00 O ATOM 868 CB GLN A 59 -0.393 0.230 6.685 1.00 0.00 C ATOM 869 CG GLN A 59 -1.161 1.522 6.456 1.00 0.00 C ATOM 870 CD GLN A 59 -1.563 2.199 7.752 1.00 0.00 C ATOM 871 OE1 GLN A 59 -0.712 2.594 8.549 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.866 2.339 7.968 1.00 0.00 N ATOM 0 H GLN A 59 -1.136 -0.227 4.356 1.00 0.00 H new ATOM 0 HA GLN A 59 1.175 0.769 5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.103 -0.589 6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.162 0.308 7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.548 2.205 5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.054 1.310 5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.537 1.997 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.196 2.789 8.822 1.00 0.00 H new ATOM 881 N GLU A 60 0.963 -2.401 6.263 1.00 0.00 N ATOM 882 CA GLU A 60 1.756 -3.545 6.699 1.00 0.00 C ATOM 883 C GLU A 60 2.939 -3.774 5.763 1.00 0.00 C ATOM 884 O GLU A 60 4.072 -3.955 6.209 1.00 0.00 O ATOM 885 CB GLU A 60 0.887 -4.803 6.759 1.00 0.00 C ATOM 886 CG GLU A 60 -0.338 -4.654 7.645 1.00 0.00 C ATOM 887 CD GLU A 60 0.016 -4.284 9.072 1.00 0.00 C ATOM 888 OE1 GLU A 60 0.895 -4.952 9.657 1.00 0.00 O ATOM 889 OE2 GLU A 60 -0.586 -3.329 9.605 1.00 0.00 O ATOM 0 H GLU A 60 -0.037 -2.587 6.181 1.00 0.00 H new ATOM 0 HA GLU A 60 2.140 -3.330 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.566 -5.061 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.490 -5.634 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.993 -3.890 7.227 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.898 -5.589 7.644 1.00 0.00 H new ATOM 896 N HIS A 61 2.667 -3.767 4.462 1.00 0.00 N ATOM 897 CA HIS A 61 3.708 -3.974 3.462 1.00 0.00 C ATOM 898 C HIS A 61 4.850 -2.980 3.651 1.00 0.00 C ATOM 899 O HIS A 61 6.005 -3.371 3.815 1.00 0.00 O ATOM 900 CB HIS A 61 3.127 -3.839 2.054 1.00 0.00 C ATOM 901 CG HIS A 61 4.159 -3.565 1.004 1.00 0.00 C ATOM 902 ND1 HIS A 61 5.011 -4.534 0.515 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.473 -2.424 0.347 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.805 -4.000 -0.396 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.499 -2.721 -0.517 1.00 0.00 N ATOM 0 H HIS A 61 1.734 -3.620 4.076 1.00 0.00 H new ATOM 0 HA HIS A 61 4.103 -4.982 3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.596 -4.756 1.799 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.392 -3.034 2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.004 -1.460 0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.574 -4.521 -0.948 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.951 -2.061 -1.149 1.00 0.00 H new ATOM 913 N GLU A 62 4.517 -1.693 3.628 1.00 0.00 N ATOM 914 CA GLU A 62 5.516 -0.644 3.796 1.00 0.00 C ATOM 915 C GLU A 62 6.503 -1.004 4.902 1.00 0.00 C ATOM 916 O GLU A 62 7.717 -0.893 4.726 1.00 0.00 O ATOM 917 CB GLU A 62 4.838 0.690 4.117 1.00 0.00 C ATOM 918 CG GLU A 62 4.584 1.554 2.894 1.00 0.00 C ATOM 919 CD GLU A 62 3.674 2.731 3.190 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.798 2.596 4.070 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.838 3.786 2.542 1.00 0.00 O ATOM 0 H GLU A 62 3.565 -1.352 3.495 1.00 0.00 H new ATOM 0 HA GLU A 62 6.066 -0.548 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.889 0.495 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.460 1.244 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.535 1.923 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.138 0.943 2.109 1.00 0.00 H new ATOM 928 N SER A 63 5.974 -1.437 6.042 1.00 0.00 N ATOM 929 CA SER A 63 6.808 -1.810 7.179 1.00 0.00 C ATOM 930 C SER A 63 7.866 -2.828 6.765 1.00 0.00 C ATOM 931 O SER A 63 8.989 -2.814 7.270 1.00 0.00 O ATOM 932 CB SER A 63 5.945 -2.382 8.305 1.00 0.00 C ATOM 933 OG SER A 63 6.617 -2.308 9.550 1.00 0.00 O ATOM 0 H SER A 63 4.972 -1.538 6.203 1.00 0.00 H new ATOM 0 HA SER A 63 7.313 -0.913 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.005 -1.833 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.695 -3.420 8.084 1.00 0.00 H new ATOM 0 HG SER A 63 6.044 -2.678 10.254 1.00 0.00 H new ATOM 939 N LYS A 64 7.499 -3.712 5.843 1.00 0.00 N ATOM 940 CA LYS A 64 8.415 -4.738 5.359 1.00 0.00 C ATOM 941 C LYS A 64 8.650 -4.594 3.859 1.00 0.00 C ATOM 942 O LYS A 64 8.953 -5.569 3.171 1.00 0.00 O ATOM 943 CB LYS A 64 7.862 -6.131 5.668 1.00 0.00 C ATOM 944 CG LYS A 64 6.394 -6.295 5.315 1.00 0.00 C ATOM 945 CD LYS A 64 6.215 -6.802 3.894 1.00 0.00 C ATOM 946 CE LYS A 64 6.539 -8.284 3.786 1.00 0.00 C ATOM 947 NZ LYS A 64 6.627 -8.731 2.369 1.00 0.00 N ATOM 0 H LYS A 64 6.573 -3.738 5.416 1.00 0.00 H new ATOM 0 HA LYS A 64 9.368 -4.610 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.444 -6.873 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.997 -6.339 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.927 -6.991 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.883 -5.339 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.188 -6.628 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.860 -6.237 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.484 -8.487 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.772 -8.862 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.849 -9.747 2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.717 -8.561 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.376 -8.198 1.883 1.00 0.00 H new ATOM 961 N CYS A 65 8.509 -3.371 3.357 1.00 0.00 N ATOM 962 CA CYS A 65 8.707 -3.098 1.939 1.00 0.00 C ATOM 963 C CYS A 65 10.193 -3.061 1.594 1.00 0.00 C ATOM 964 O CYS A 65 10.916 -2.162 2.021 1.00 0.00 O ATOM 965 CB CYS A 65 8.050 -1.771 1.557 1.00 0.00 C ATOM 966 SG CYS A 65 8.331 -1.272 -0.172 1.00 0.00 S ATOM 0 H CYS A 65 8.258 -2.553 3.912 1.00 0.00 H new ATOM 0 HA CYS A 65 8.241 -3.903 1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.977 -1.846 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.427 -0.988 2.216 1.00 0.00 H new ATOM 0 HG CYS A 65 7.929 -2.218 -0.968 1.00 0.00 H new ATOM 971 N GLU A 66 10.640 -4.045 0.819 1.00 0.00 N ATOM 972 CA GLU A 66 12.039 -4.124 0.418 1.00 0.00 C ATOM 973 C GLU A 66 12.478 -2.841 -0.282 1.00 0.00 C ATOM 974 O GLU A 66 13.638 -2.437 -0.192 1.00 0.00 O ATOM 975 CB GLU A 66 12.261 -5.324 -0.506 1.00 0.00 C ATOM 976 CG GLU A 66 11.342 -5.337 -1.717 1.00 0.00 C ATOM 977 CD GLU A 66 10.048 -6.085 -1.459 1.00 0.00 C ATOM 978 OE1 GLU A 66 9.727 -6.326 -0.276 1.00 0.00 O ATOM 979 OE2 GLU A 66 9.357 -6.428 -2.440 1.00 0.00 O ATOM 0 H GLU A 66 10.054 -4.797 0.457 1.00 0.00 H new ATOM 0 HA GLU A 66 12.641 -4.251 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.297 -5.324 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.113 -6.242 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.113 -4.311 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.862 -5.796 -2.558 1.00 0.00 H new ATOM 986 N TYR A 67 11.543 -2.206 -0.980 1.00 0.00 N ATOM 987 CA TYR A 67 11.833 -0.970 -1.698 1.00 0.00 C ATOM 988 C TYR A 67 11.997 0.197 -0.730 1.00 0.00 C ATOM 989 O TYR A 67 12.711 1.159 -1.013 1.00 0.00 O ATOM 990 CB TYR A 67 10.718 -0.665 -2.700 1.00 0.00 C ATOM 991 CG TYR A 67 10.580 -1.705 -3.788 1.00 0.00 C ATOM 992 CD1 TYR A 67 9.850 -2.868 -3.577 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.179 -1.524 -5.029 1.00 0.00 C ATOM 994 CE1 TYR A 67 9.722 -3.821 -4.568 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.055 -2.472 -6.027 1.00 0.00 C ATOM 996 CZ TYR A 67 10.326 -3.619 -5.791 1.00 0.00 C ATOM 997 OH TYR A 67 10.199 -4.565 -6.782 1.00 0.00 O ATOM 0 H TYR A 67 10.578 -2.526 -1.064 1.00 0.00 H new ATOM 0 HA TYR A 67 12.771 -1.104 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.772 -0.584 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.909 0.305 -3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.374 -3.030 -2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.751 -0.627 -5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.152 -4.720 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.526 -2.316 -6.986 1.00 0.00 H new ATOM 0 HH TYR A 67 10.683 -4.269 -7.581 1.00 0.00 H new ATOM 1007 N LYS A 68 11.329 0.105 0.415 1.00 0.00 N ATOM 1008 CA LYS A 68 11.400 1.151 1.428 1.00 0.00 C ATOM 1009 C LYS A 68 12.848 1.544 1.705 1.00 0.00 C ATOM 1010 O LYS A 68 13.241 2.693 1.497 1.00 0.00 O ATOM 1011 CB LYS A 68 10.732 0.682 2.723 1.00 0.00 C ATOM 1012 CG LYS A 68 10.872 1.666 3.871 1.00 0.00 C ATOM 1013 CD LYS A 68 10.304 1.101 5.162 1.00 0.00 C ATOM 1014 CE LYS A 68 10.157 2.180 6.225 1.00 0.00 C ATOM 1015 NZ LYS A 68 9.912 1.599 7.574 1.00 0.00 N ATOM 0 H LYS A 68 10.732 -0.684 0.664 1.00 0.00 H new ATOM 0 HA LYS A 68 10.871 2.025 1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.673 0.507 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.165 -0.273 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.924 1.914 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.357 2.594 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.333 0.647 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.956 0.310 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.060 2.790 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.333 2.842 5.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.818 2.366 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.037 1.037 7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.710 0.987 7.839 1.00 0.00 H new ATOM 1029 N LYS A 69 13.638 0.584 2.172 1.00 0.00 N ATOM 1030 CA LYS A 69 15.043 0.828 2.474 1.00 0.00 C ATOM 1031 C LYS A 69 15.770 1.397 1.260 1.00 0.00 C ATOM 1032 O LYS A 69 16.676 2.220 1.396 1.00 0.00 O ATOM 1033 CB LYS A 69 15.722 -0.468 2.926 1.00 0.00 C ATOM 1034 CG LYS A 69 15.569 -1.611 1.938 1.00 0.00 C ATOM 1035 CD LYS A 69 16.394 -2.819 2.351 1.00 0.00 C ATOM 1036 CE LYS A 69 16.851 -3.621 1.142 1.00 0.00 C ATOM 1037 NZ LYS A 69 17.719 -4.766 1.533 1.00 0.00 N ATOM 0 H LYS A 69 13.329 -0.372 2.350 1.00 0.00 H new ATOM 0 HA LYS A 69 15.093 1.559 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.783 -0.276 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.305 -0.771 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.519 -1.894 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.878 -1.280 0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.263 -2.490 2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.804 -3.456 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.980 -3.993 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.395 -2.969 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.010 -5.288 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.563 -4.410 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.192 -5.401 2.165 1.00 0.00 H new ATOM 1051 N LEU A 70 15.366 0.956 0.074 1.00 0.00 N ATOM 1052 CA LEU A 70 15.978 1.423 -1.165 1.00 0.00 C ATOM 1053 C LEU A 70 15.524 2.841 -1.496 1.00 0.00 C ATOM 1054 O LEU A 70 16.148 3.534 -2.301 1.00 0.00 O ATOM 1055 CB LEU A 70 15.626 0.481 -2.318 1.00 0.00 C ATOM 1056 CG LEU A 70 16.058 -0.976 -2.150 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.456 -1.841 -3.246 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.576 -1.086 -2.154 1.00 0.00 C ATOM 0 H LEU A 70 14.617 0.276 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 70 17.059 1.430 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.546 0.504 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.079 0.870 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 70 15.690 -1.336 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.775 -2.875 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.368 -1.787 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.793 -1.483 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.865 -2.130 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.966 -0.708 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.986 -0.499 -1.332 1.00 0.00 H new ATOM 1070 N THR A 71 14.433 3.270 -0.867 1.00 0.00 N ATOM 1071 CA THR A 71 13.896 4.606 -1.093 1.00 0.00 C ATOM 1072 C THR A 71 14.511 5.616 -0.131 1.00 0.00 C ATOM 1073 O THR A 71 14.250 5.581 1.072 1.00 0.00 O ATOM 1074 CB THR A 71 12.364 4.629 -0.934 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.768 3.646 -1.787 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.806 6.004 -1.270 1.00 0.00 C ATOM 0 H THR A 71 13.905 2.711 -0.197 1.00 0.00 H new ATOM 0 HA THR A 71 14.152 4.881 -2.116 1.00 0.00 H new ATOM 0 HB THR A 71 12.125 4.401 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.064 2.753 -1.513 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.723 5.996 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.240 6.746 -0.600 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.056 6.256 -2.301 1.00 0.00 H new ATOM 1084 N CYS A 72 15.329 6.515 -0.668 1.00 0.00 N ATOM 1085 CA CYS A 72 15.981 7.536 0.143 1.00 0.00 C ATOM 1086 C CYS A 72 14.952 8.471 0.772 1.00 0.00 C ATOM 1087 O CYS A 72 14.797 9.617 0.349 1.00 0.00 O ATOM 1088 CB CYS A 72 16.965 8.341 -0.709 1.00 0.00 C ATOM 1089 SG CYS A 72 18.067 9.426 0.254 1.00 0.00 S ATOM 0 H CYS A 72 15.556 6.557 -1.662 1.00 0.00 H new ATOM 0 HA CYS A 72 16.527 7.036 0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.573 7.650 -1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.403 8.949 -1.418 1.00 0.00 H new ATOM 0 HG CYS A 72 18.620 8.743 1.212 1.00 0.00 H new ATOM 1094 N LEU A 73 14.252 7.973 1.786 1.00 0.00 N ATOM 1095 CA LEU A 73 13.237 8.763 2.475 1.00 0.00 C ATOM 1096 C LEU A 73 13.687 10.213 2.628 1.00 0.00 C ATOM 1097 O LEU A 73 12.863 11.123 2.707 1.00 0.00 O ATOM 1098 CB LEU A 73 12.941 8.161 3.849 1.00 0.00 C ATOM 1099 CG LEU A 73 12.674 6.656 3.879 1.00 0.00 C ATOM 1100 CD1 LEU A 73 12.480 6.177 5.310 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.458 6.313 3.031 1.00 0.00 C ATOM 0 H LEU A 73 14.369 7.027 2.149 1.00 0.00 H new ATOM 0 HA LEU A 73 12.328 8.746 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.785 8.373 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.074 8.672 4.268 1.00 0.00 H new ATOM 0 HG LEU A 73 13.540 6.144 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.291 5.104 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.379 6.388 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.631 6.696 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.283 5.238 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.584 6.835 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.635 6.620 2.000 1.00 0.00 H new ATOM 1113 N GLU A 74 15.000 10.419 2.667 1.00 0.00 N ATOM 1114 CA GLU A 74 15.558 11.758 2.810 1.00 0.00 C ATOM 1115 C GLU A 74 15.178 12.636 1.620 1.00 0.00 C ATOM 1116 O GLU A 74 14.672 13.745 1.790 1.00 0.00 O ATOM 1117 CB GLU A 74 17.081 11.689 2.940 1.00 0.00 C ATOM 1118 CG GLU A 74 17.786 12.971 2.532 1.00 0.00 C ATOM 1119 CD GLU A 74 17.586 14.091 3.534 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.433 14.306 3.963 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.584 14.753 3.890 1.00 0.00 O ATOM 0 H GLU A 74 15.696 9.676 2.602 1.00 0.00 H new ATOM 0 HA GLU A 74 15.143 12.202 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.339 11.456 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.453 10.869 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.852 12.775 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 74 17.416 13.290 1.557 1.00 0.00 H new ATOM 1128 N CYS A 75 15.426 12.130 0.417 1.00 0.00 N ATOM 1129 CA CYS A 75 15.112 12.866 -0.802 1.00 0.00 C ATOM 1130 C CYS A 75 14.239 12.029 -1.733 1.00 0.00 C ATOM 1131 O CYS A 75 14.390 12.079 -2.953 1.00 0.00 O ATOM 1132 CB CYS A 75 16.398 13.275 -1.522 1.00 0.00 C ATOM 1133 SG CYS A 75 17.325 11.880 -2.239 1.00 0.00 S ATOM 0 H CYS A 75 15.844 11.213 0.260 1.00 0.00 H new ATOM 0 HA CYS A 75 14.559 13.763 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 75 16.149 13.978 -2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 75 17.043 13.803 -0.819 1.00 0.00 H new ATOM 0 HG CYS A 75 17.581 11.007 -1.311 1.00 0.00 H new ATOM 1138 N MET A 76 13.326 11.261 -1.147 1.00 0.00 N ATOM 1139 CA MET A 76 12.428 10.415 -1.924 1.00 0.00 C ATOM 1140 C MET A 76 13.095 9.956 -3.216 1.00 0.00 C ATOM 1141 O MET A 76 12.557 10.150 -4.306 1.00 0.00 O ATOM 1142 CB MET A 76 11.134 11.166 -2.243 1.00 0.00 C ATOM 1143 CG MET A 76 10.088 11.070 -1.144 1.00 0.00 C ATOM 1144 SD MET A 76 9.286 9.456 -1.087 1.00 0.00 S ATOM 1145 CE MET A 76 10.106 8.720 0.325 1.00 0.00 C ATOM 0 H MET A 76 13.189 11.207 -0.138 1.00 0.00 H new ATOM 0 HA MET A 76 12.191 9.535 -1.326 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.367 12.216 -2.420 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.714 10.772 -3.168 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.558 11.272 -0.182 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.333 11.841 -1.298 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.538 7.854 0.665 1.00 0.00 H new ATOM 0 HE2 MET A 76 11.110 8.407 0.040 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.169 9.451 1.131 1.00 0.00 H new ATOM 1155 N ARG A 77 14.270 9.348 -3.087 1.00 0.00 N ATOM 1156 CA ARG A 77 15.011 8.863 -4.245 1.00 0.00 C ATOM 1157 C ARG A 77 15.213 7.353 -4.169 1.00 0.00 C ATOM 1158 O ARG A 77 16.022 6.862 -3.381 1.00 0.00 O ATOM 1159 CB ARG A 77 16.367 9.565 -4.340 1.00 0.00 C ATOM 1160 CG ARG A 77 17.078 9.342 -5.665 1.00 0.00 C ATOM 1161 CD ARG A 77 18.259 10.285 -5.830 1.00 0.00 C ATOM 1162 NE ARG A 77 18.645 10.439 -7.230 1.00 0.00 N ATOM 1163 CZ ARG A 77 18.063 11.295 -8.063 1.00 0.00 C ATOM 1164 NH1 ARG A 77 17.074 12.069 -7.639 1.00 0.00 N ATOM 1165 NH2 ARG A 77 18.471 11.377 -9.323 1.00 0.00 N ATOM 0 H ARG A 77 14.729 9.180 -2.192 1.00 0.00 H new ATOM 0 HA ARG A 77 14.428 9.089 -5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.224 10.635 -4.190 1.00 0.00 H new ATOM 0 HB3 ARG A 77 17.006 9.213 -3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.424 8.310 -5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.376 9.490 -6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.005 11.260 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.107 9.907 -5.260 1.00 0.00 H new ATOM 0 HE ARG A 77 19.403 9.858 -7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.758 12.008 -6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.629 12.725 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 77 19.232 10.783 -9.652 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.024 12.034 -9.962 1.00 0.00 H new ATOM 1179 N THR A 78 14.470 6.620 -4.992 1.00 0.00 N ATOM 1180 CA THR A 78 14.565 5.165 -5.017 1.00 0.00 C ATOM 1181 C THR A 78 15.723 4.705 -5.895 1.00 0.00 C ATOM 1182 O THR A 78 16.088 5.377 -6.860 1.00 0.00 O ATOM 1183 CB THR A 78 13.261 4.526 -5.530 1.00 0.00 C ATOM 1184 OG1 THR A 78 12.130 5.215 -4.985 1.00 0.00 O ATOM 1185 CG2 THR A 78 13.195 3.054 -5.150 1.00 0.00 C ATOM 0 H THR A 78 13.796 7.010 -5.650 1.00 0.00 H new ATOM 0 HA THR A 78 14.740 4.842 -3.991 1.00 0.00 H new ATOM 0 HB THR A 78 13.246 4.606 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.305 4.804 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.266 2.623 -5.523 1.00 0.00 H new ATOM 0 HG22 THR A 78 14.041 2.526 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.231 2.956 -4.065 1.00 0.00 H new ATOM 1193 N PHE A 79 16.297 3.556 -5.555 1.00 0.00 N ATOM 1194 CA PHE A 79 17.414 3.006 -6.313 1.00 0.00 C ATOM 1195 C PHE A 79 17.163 1.543 -6.669 1.00 0.00 C ATOM 1196 O PHE A 79 16.089 1.003 -6.403 1.00 0.00 O ATOM 1197 CB PHE A 79 18.712 3.131 -5.513 1.00 0.00 C ATOM 1198 CG PHE A 79 19.238 4.537 -5.441 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.539 5.517 -4.755 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.431 4.877 -6.057 1.00 0.00 C ATOM 1201 CE1 PHE A 79 19.020 6.811 -4.688 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.918 6.169 -5.993 1.00 0.00 C ATOM 1203 CZ PHE A 79 20.212 7.137 -5.307 1.00 0.00 C ATOM 0 H PHE A 79 16.007 2.988 -4.759 1.00 0.00 H new ATOM 0 HA PHE A 79 17.508 3.576 -7.237 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.543 2.762 -4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.470 2.490 -5.963 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.608 5.267 -4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.988 4.123 -6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.465 7.567 -4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.849 6.421 -6.479 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.590 8.147 -5.254 1.00 0.00 H new ATOM 1213 N LYS A 80 18.161 0.907 -7.273 1.00 0.00 N ATOM 1214 CA LYS A 80 18.051 -0.492 -7.666 1.00 0.00 C ATOM 1215 C LYS A 80 18.359 -1.413 -6.490 1.00 0.00 C ATOM 1216 O LYS A 80 17.586 -2.320 -6.180 1.00 0.00 O ATOM 1217 CB LYS A 80 19.002 -0.794 -8.826 1.00 0.00 C ATOM 1218 CG LYS A 80 18.418 -0.471 -10.191 1.00 0.00 C ATOM 1219 CD LYS A 80 19.173 -1.179 -11.303 1.00 0.00 C ATOM 1220 CE LYS A 80 18.639 -0.794 -12.673 1.00 0.00 C ATOM 1221 NZ LYS A 80 17.294 -1.381 -12.929 1.00 0.00 N ATOM 0 H LYS A 80 19.056 1.339 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 80 17.026 -0.673 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.921 -0.224 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.274 -1.849 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.369 -0.766 -10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.451 0.606 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 80 20.232 -0.929 -11.241 1.00 0.00 H new ATOM 0 HD3 LYS A 80 19.092 -2.258 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.582 0.292 -12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.335 -1.131 -13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.972 -1.109 -13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.350 -2.418 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.620 -1.026 -12.221 1.00 0.00 H new ATOM 1235 N SER A 81 19.492 -1.174 -5.837 1.00 0.00 N ATOM 1236 CA SER A 81 19.903 -1.983 -4.696 1.00 0.00 C ATOM 1237 C SER A 81 20.267 -1.100 -3.507 1.00 0.00 C ATOM 1238 O SER A 81 20.353 0.121 -3.629 1.00 0.00 O ATOM 1239 CB SER A 81 21.094 -2.867 -5.073 1.00 0.00 C ATOM 1240 OG SER A 81 20.665 -4.049 -5.727 1.00 0.00 O ATOM 0 H SER A 81 20.142 -0.426 -6.079 1.00 0.00 H new ATOM 0 HA SER A 81 19.064 -2.618 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.771 -2.313 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.656 -3.127 -4.176 1.00 0.00 H new ATOM 0 HG SER A 81 21.444 -4.596 -5.959 1.00 0.00 H new ATOM 1246 N SER A 82 20.481 -1.729 -2.355 1.00 0.00 N ATOM 1247 CA SER A 82 20.833 -1.001 -1.141 1.00 0.00 C ATOM 1248 C SER A 82 22.265 -0.481 -1.215 1.00 0.00 C ATOM 1249 O SER A 82 22.551 0.644 -0.802 1.00 0.00 O ATOM 1250 CB SER A 82 20.668 -1.902 0.085 1.00 0.00 C ATOM 1251 OG SER A 82 20.583 -1.135 1.273 1.00 0.00 O ATOM 0 H SER A 82 20.417 -2.740 -2.237 1.00 0.00 H new ATOM 0 HA SER A 82 20.160 -0.148 -1.050 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.770 -2.510 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.511 -2.589 0.151 1.00 0.00 H new ATOM 0 HG SER A 82 20.476 -1.733 2.042 1.00 0.00 H new ATOM 1257 N PHE A 83 23.161 -1.307 -1.743 1.00 0.00 N ATOM 1258 CA PHE A 83 24.565 -0.932 -1.871 1.00 0.00 C ATOM 1259 C PHE A 83 24.723 0.284 -2.780 1.00 0.00 C ATOM 1260 O PHE A 83 25.645 1.082 -2.613 1.00 0.00 O ATOM 1261 CB PHE A 83 25.380 -2.104 -2.422 1.00 0.00 C ATOM 1262 CG PHE A 83 26.807 -1.751 -2.729 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.765 -1.753 -1.728 1.00 0.00 C ATOM 1264 CD2 PHE A 83 27.191 -1.416 -4.017 1.00 0.00 C ATOM 1265 CE1 PHE A 83 29.079 -1.427 -2.006 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.503 -1.090 -4.302 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.449 -1.097 -3.296 1.00 0.00 C ATOM 0 H PHE A 83 22.941 -2.241 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 83 24.938 -0.674 -0.880 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.364 -2.919 -1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.902 -2.473 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.482 -2.012 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.456 -1.410 -4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.816 -1.430 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.788 -0.830 -5.311 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.476 -0.845 -3.517 1.00 0.00 H new ATOM 1277 N SER A 84 23.816 0.417 -3.742 1.00 0.00 N ATOM 1278 CA SER A 84 23.856 1.532 -4.681 1.00 0.00 C ATOM 1279 C SER A 84 23.474 2.838 -3.990 1.00 0.00 C ATOM 1280 O SER A 84 24.265 3.781 -3.941 1.00 0.00 O ATOM 1281 CB SER A 84 22.913 1.271 -5.857 1.00 0.00 C ATOM 1282 OG SER A 84 23.451 0.296 -6.734 1.00 0.00 O ATOM 0 H SER A 84 23.045 -0.233 -3.892 1.00 0.00 H new ATOM 0 HA SER A 84 24.876 1.623 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.945 0.935 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 84 22.740 2.199 -6.402 1.00 0.00 H new ATOM 0 HG SER A 84 22.829 0.145 -7.476 1.00 0.00 H new ATOM 1288 N ILE A 85 22.258 2.884 -3.457 1.00 0.00 N ATOM 1289 CA ILE A 85 21.771 4.073 -2.768 1.00 0.00 C ATOM 1290 C ILE A 85 22.672 4.434 -1.592 1.00 0.00 C ATOM 1291 O ILE A 85 22.794 5.603 -1.226 1.00 0.00 O ATOM 1292 CB ILE A 85 20.332 3.877 -2.256 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.844 5.141 -1.545 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.260 2.677 -1.324 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.361 5.133 -1.247 1.00 0.00 C ATOM 0 H ILE A 85 21.592 2.112 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 85 21.782 4.886 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 85 19.681 3.689 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.393 5.258 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 85 20.078 6.008 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.237 2.552 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.571 1.781 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.921 2.838 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.086 6.059 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.803 5.048 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.124 4.286 -0.604 1.00 0.00 H new ATOM 1307 N TRP A 86 23.303 3.423 -1.005 1.00 0.00 N ATOM 1308 CA TRP A 86 24.195 3.634 0.129 1.00 0.00 C ATOM 1309 C TRP A 86 25.237 4.701 -0.189 1.00 0.00 C ATOM 1310 O TRP A 86 25.499 5.587 0.625 1.00 0.00 O ATOM 1311 CB TRP A 86 24.889 2.325 0.510 1.00 0.00 C ATOM 1312 CG TRP A 86 25.771 2.448 1.715 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.401 2.859 2.963 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.172 2.160 1.784 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.487 2.844 3.805 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.585 2.418 3.106 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.117 1.708 0.859 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.902 2.239 3.522 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.423 1.531 1.274 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.806 1.796 2.596 1.00 0.00 C ATOM 0 H TRP A 86 23.213 2.449 -1.296 1.00 0.00 H new ATOM 0 HA TRP A 86 23.595 3.978 0.971 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.133 1.563 0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.486 1.980 -0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.401 3.153 3.247 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.477 3.107 4.790 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.832 1.501 -0.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.199 2.443 4.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.162 1.182 0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.835 1.648 2.889 1.00 0.00 H new ATOM 1331 N ARG A 87 25.827 4.611 -1.376 1.00 0.00 N ATOM 1332 CA ARG A 87 26.841 5.569 -1.800 1.00 0.00 C ATOM 1333 C ARG A 87 26.225 6.946 -2.032 1.00 0.00 C ATOM 1334 O ARG A 87 26.866 7.971 -1.800 1.00 0.00 O ATOM 1335 CB ARG A 87 27.528 5.084 -3.078 1.00 0.00 C ATOM 1336 CG ARG A 87 28.298 3.786 -2.901 1.00 0.00 C ATOM 1337 CD ARG A 87 29.592 4.006 -2.132 1.00 0.00 C ATOM 1338 NE ARG A 87 30.668 4.484 -2.997 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.366 3.694 -3.806 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.103 2.396 -3.860 1.00 0.00 N ATOM 1341 NH2 ARG A 87 32.330 4.203 -4.562 1.00 0.00 N ATOM 0 H ARG A 87 25.620 3.884 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 87 27.583 5.651 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.776 4.947 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 87 28.212 5.857 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.677 3.063 -2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.522 3.359 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.421 4.728 -1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.895 3.072 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 87 30.896 5.478 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 87 30.363 2.001 -3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 87 31.641 1.792 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 87 32.536 5.201 -4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 87 32.865 3.596 -5.183 1.00 0.00 H new ATOM 1355 N HIS A 88 24.978 6.961 -2.491 1.00 0.00 N ATOM 1356 CA HIS A 88 24.275 8.211 -2.754 1.00 0.00 C ATOM 1357 C HIS A 88 23.998 8.962 -1.455 1.00 0.00 C ATOM 1358 O HIS A 88 23.842 10.183 -1.455 1.00 0.00 O ATOM 1359 CB HIS A 88 22.962 7.938 -3.489 1.00 0.00 C ATOM 1360 CG HIS A 88 21.970 9.054 -3.377 1.00 0.00 C ATOM 1361 ND1 HIS A 88 22.053 10.213 -4.120 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.867 9.183 -2.603 1.00 0.00 C ATOM 1363 CE1 HIS A 88 21.045 11.007 -3.807 1.00 0.00 C ATOM 1364 NE2 HIS A 88 20.310 10.406 -2.889 1.00 0.00 N ATOM 0 H HIS A 88 24.433 6.121 -2.689 1.00 0.00 H new ATOM 0 HA HIS A 88 24.912 8.832 -3.384 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.176 7.757 -4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.516 7.026 -3.093 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.494 8.460 -1.893 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.854 11.982 -4.230 1.00 0.00 H new ATOM 0 HE2 HIS A 88 19.466 10.788 -2.462 1.00 0.00 H new ATOM 1372 N GLN A 89 23.938 8.224 -0.352 1.00 0.00 N ATOM 1373 CA GLN A 89 23.678 8.821 0.953 1.00 0.00 C ATOM 1374 C GLN A 89 24.980 9.068 1.707 1.00 0.00 C ATOM 1375 O GLN A 89 25.031 9.886 2.626 1.00 0.00 O ATOM 1376 CB GLN A 89 22.761 7.916 1.778 1.00 0.00 C ATOM 1377 CG GLN A 89 21.414 7.655 1.122 1.00 0.00 C ATOM 1378 CD GLN A 89 20.433 6.972 2.055 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.649 7.631 2.739 1.00 0.00 O ATOM 1380 NE2 GLN A 89 20.472 5.646 2.087 1.00 0.00 N ATOM 0 H GLN A 89 24.066 7.212 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 89 23.184 9.779 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.263 6.964 1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.598 8.371 2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.990 8.600 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.559 7.036 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.138 5.141 1.503 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.836 5.132 2.696 1.00 0.00 H new ATOM 1389 N VAL A 90 26.031 8.356 1.314 1.00 0.00 N ATOM 1390 CA VAL A 90 27.334 8.499 1.952 1.00 0.00 C ATOM 1391 C VAL A 90 28.219 9.473 1.184 1.00 0.00 C ATOM 1392 O VAL A 90 29.153 10.049 1.740 1.00 0.00 O ATOM 1393 CB VAL A 90 28.056 7.143 2.062 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.502 7.341 2.493 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.324 6.226 3.030 1.00 0.00 C ATOM 0 H VAL A 90 26.005 7.674 0.556 1.00 0.00 H new ATOM 0 HA VAL A 90 27.155 8.890 2.954 1.00 0.00 H new ATOM 0 HB VAL A 90 28.056 6.671 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.996 6.372 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 90 30.019 7.958 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.528 7.835 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.848 5.273 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.291 6.690 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.308 6.058 2.674 1.00 0.00 H new ATOM 1405 N GLU A 91 27.917 9.653 -0.098 1.00 0.00 N ATOM 1406 CA GLU A 91 28.687 10.559 -0.944 1.00 0.00 C ATOM 1407 C GLU A 91 28.021 11.930 -1.019 1.00 0.00 C ATOM 1408 O GLU A 91 28.689 12.961 -0.951 1.00 0.00 O ATOM 1409 CB GLU A 91 28.838 9.975 -2.350 1.00 0.00 C ATOM 1410 CG GLU A 91 29.664 8.700 -2.394 1.00 0.00 C ATOM 1411 CD GLU A 91 30.403 8.530 -3.707 1.00 0.00 C ATOM 1412 OE1 GLU A 91 31.162 9.448 -4.084 1.00 0.00 O ATOM 1413 OE2 GLU A 91 30.223 7.479 -4.358 1.00 0.00 O ATOM 0 H GLU A 91 27.146 9.184 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 91 29.675 10.678 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.848 9.771 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 91 29.301 10.721 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.383 8.709 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 91 29.010 7.842 -2.235 1.00 0.00 H new ATOM 1420 N VAL A 92 26.699 11.932 -1.161 1.00 0.00 N ATOM 1421 CA VAL A 92 25.942 13.176 -1.246 1.00 0.00 C ATOM 1422 C VAL A 92 25.572 13.689 0.141 1.00 0.00 C ATOM 1423 O VAL A 92 26.008 14.765 0.553 1.00 0.00 O ATOM 1424 CB VAL A 92 24.656 12.994 -2.073 1.00 0.00 C ATOM 1425 CG1 VAL A 92 24.027 14.343 -2.386 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.950 12.225 -3.352 1.00 0.00 C ATOM 0 H VAL A 92 26.131 11.087 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 92 26.584 13.905 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 92 23.944 12.416 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 92 23.119 14.194 -2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.779 14.854 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.731 14.949 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 92 24.030 12.105 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.679 12.775 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 92 25.352 11.243 -3.102 1.00 0.00 H new ATOM 1436 N HIS A 93 24.766 12.913 0.859 1.00 0.00 N ATOM 1437 CA HIS A 93 24.338 13.289 2.201 1.00 0.00 C ATOM 1438 C HIS A 93 25.446 13.029 3.217 1.00 0.00 C ATOM 1439 O HIS A 93 25.517 13.687 4.254 1.00 0.00 O ATOM 1440 CB HIS A 93 23.079 12.515 2.594 1.00 0.00 C ATOM 1441 CG HIS A 93 21.911 12.775 1.693 1.00 0.00 C ATOM 1442 ND1 HIS A 93 21.391 12.040 0.683 1.00 0.00 N flip ATOM 1443 CD2 HIS A 93 21.133 13.910 1.779 1.00 0.00 C flip ATOM 1444 CE1 HIS A 93 20.318 12.736 0.183 1.00 0.00 C flip ATOM 1445 NE2 HIS A 93 20.184 13.861 0.862 1.00 0.00 N flip ATOM 0 H HIS A 93 24.396 12.020 0.533 1.00 0.00 H new ATOM 0 HA HIS A 93 24.114 14.356 2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 93 23.302 11.448 2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.805 12.778 3.616 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.277 14.714 2.486 1.00 0.00 H new ATOM 0 HE1 HIS A 93 19.687 12.416 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.469 14.571 0.705 1.00 0.00 H new ATOM 1453 N ASN A 94 26.309 12.066 2.912 1.00 0.00 N ATOM 1454 CA ASN A 94 27.413 11.718 3.799 1.00 0.00 C ATOM 1455 C ASN A 94 26.895 11.259 5.158 1.00 0.00 C ATOM 1456 O ASN A 94 27.310 11.772 6.197 1.00 0.00 O ATOM 1457 CB ASN A 94 28.349 12.916 3.976 1.00 0.00 C ATOM 1458 CG ASN A 94 28.476 13.742 2.711 1.00 0.00 C ATOM 1459 OD1 ASN A 94 27.800 14.758 2.549 1.00 0.00 O ATOM 1460 ND2 ASN A 94 29.346 13.308 1.806 1.00 0.00 N ATOM 0 H ASN A 94 26.265 11.512 2.057 1.00 0.00 H new ATOM 0 HA ASN A 94 27.966 10.896 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.978 13.547 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 94 29.335 12.562 4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 94 29.475 13.822 0.935 1.00 0.00 H new ATOM 0 HD22 ASN A 94 29.885 12.460 1.982 1.00 0.00 H new ATOM 1467 N GLN A 95 25.986 10.289 5.142 1.00 0.00 N ATOM 1468 CA GLN A 95 25.411 9.761 6.373 1.00 0.00 C ATOM 1469 C GLN A 95 25.728 8.277 6.529 1.00 0.00 C ATOM 1470 O GLN A 95 25.430 7.473 5.647 1.00 0.00 O ATOM 1471 CB GLN A 95 23.896 9.975 6.387 1.00 0.00 C ATOM 1472 CG GLN A 95 23.480 11.341 6.909 1.00 0.00 C ATOM 1473 CD GLN A 95 24.011 11.620 8.301 1.00 0.00 C ATOM 1474 OE1 GLN A 95 25.114 12.143 8.464 1.00 0.00 O ATOM 1475 NE2 GLN A 95 23.227 11.272 9.315 1.00 0.00 N ATOM 0 H GLN A 95 25.632 9.853 4.290 1.00 0.00 H new ATOM 0 HA GLN A 95 25.854 10.299 7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.510 9.849 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.434 9.204 7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.839 12.111 6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.392 11.406 6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 95 22.320 10.841 9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 95 23.532 11.436 10.275 1.00 0.00 H new ATOM 1484 N ASN A 96 26.334 7.922 7.658 1.00 0.00 N ATOM 1485 CA ASN A 96 26.692 6.534 7.929 1.00 0.00 C ATOM 1486 C ASN A 96 25.925 6.000 9.134 1.00 0.00 C ATOM 1487 O ASN A 96 26.484 5.300 9.978 1.00 0.00 O ATOM 1488 CB ASN A 96 28.197 6.413 8.173 1.00 0.00 C ATOM 1489 CG ASN A 96 28.589 6.818 9.581 1.00 0.00 C ATOM 1490 OD1 ASN A 96 28.807 5.969 10.446 1.00 0.00 O ATOM 1491 ND2 ASN A 96 28.679 8.122 9.818 1.00 0.00 N ATOM 0 H ASN A 96 26.587 8.576 8.399 1.00 0.00 H new ATOM 0 HA ASN A 96 26.423 5.938 7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 96 28.510 5.384 7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 96 28.730 7.038 7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 96 28.938 8.455 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 96 28.490 8.790 9.071 1.00 0.00 H new