USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=29 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 55:sc= -1.05 USER MOD Set 1.2: A 75 CYS SG : rot -56:sc= -0.409 USER MOD Set 1.3: A 88 HIS : no HD1:sc= 0.406 K(o=-3.6,f=-6!) USER MOD Set 1.4: A 89 GLN : amide:sc= -0.889 K(o=-3.6,f=-0.85) USER MOD Set 1.5: A 93 HIS : no HD1:sc= -1.69! K(o=-3.6!,f=-0.85) USER MOD Set 2.1: A 71 THR OG1 : rot 62:sc= 1.08 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= -0.0332 USER MOD Set 3.1: A 45 CYS SG : rot 180:sc= -1.2 USER MOD Set 3.2: A 48 CYS SG : rot -53:sc= -5.21! USER MOD Set 3.3: A 61 HIS : no HD1:sc= -1.64! C(o=-8.1!,f=-13!) USER MOD Set 3.4: A 65 CYS SG : rot 50:sc= -0.0703 USER MOD Set 4.1: A 19 CYS SG : rot 80:sc= -1.39 USER MOD Set 4.2: A 22 CYS SG : rot -42:sc= 0.666 USER MOD Set 4.3: A 35 HIS : no HD1:sc= -0.114 K(o=-2.1,f=-5.1!) USER MOD Set 4.4: A 39 CYS SG : rot -34:sc= -1.21 USER MOD Single : A 2 SER OG : rot -27:sc= 0.014 USER MOD Single : A 3 SER OG : rot 21:sc= 0.693 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= -0.135 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=-0.35) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -34:sc= 0.0597 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.315 K(o=-0.31,f=-1.6) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.79 K(o=-1.8,f=-7.3!) 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= 0 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 0.8 (180deg=0.0954) USER MOD Single : A 59 GLN : amide:sc= -0.121 K(o=-0.12,f=-2!) 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 162:sc= -1.5 (180deg=-2.51!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0.116 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= -0.878! C(o=-0.88!,f=-1.6!) USER MOD Single : A 95 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.5!) USER MOD Single : A 96 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -60.938 -25.769 11.317 1.00 0.00 N ATOM 9 CA SER A 2 -59.751 -25.162 11.907 1.00 0.00 C ATOM 10 C SER A 2 -59.115 -24.164 10.944 1.00 0.00 C ATOM 11 O SER A 2 -59.583 -23.986 9.819 1.00 0.00 O ATOM 12 CB SER A 2 -58.734 -26.242 12.284 1.00 0.00 C ATOM 13 OG SER A 2 -58.249 -26.910 11.133 1.00 0.00 O ATOM 0 HA SER A 2 -60.056 -24.628 12.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 -57.902 -25.790 12.823 1.00 0.00 H new ATOM 0 HB3 SER A 2 -59.197 -26.962 12.958 1.00 0.00 H new ATOM 0 HG SER A 2 -58.928 -26.879 10.427 1.00 0.00 H new ATOM 19 N SER A 3 -58.046 -23.515 11.394 1.00 0.00 N ATOM 20 CA SER A 3 -57.348 -22.531 10.575 1.00 0.00 C ATOM 21 C SER A 3 -55.902 -22.370 11.034 1.00 0.00 C ATOM 22 O SER A 3 -55.510 -22.886 12.080 1.00 0.00 O ATOM 23 CB SER A 3 -58.068 -21.183 10.635 1.00 0.00 C ATOM 24 OG SER A 3 -59.225 -21.185 9.818 1.00 0.00 O ATOM 0 H SER A 3 -57.644 -23.653 12.321 1.00 0.00 H new ATOM 0 HA SER A 3 -57.346 -22.887 9.545 1.00 0.00 H new ATOM 0 HB2 SER A 3 -58.347 -20.962 11.665 1.00 0.00 H new ATOM 0 HB3 SER A 3 -57.392 -20.392 10.311 1.00 0.00 H new ATOM 0 HG SER A 3 -59.511 -22.109 9.658 1.00 0.00 H new ATOM 30 N GLY A 4 -55.113 -21.649 10.243 1.00 0.00 N ATOM 31 CA GLY A 4 -53.719 -21.432 10.583 1.00 0.00 C ATOM 32 C GLY A 4 -53.018 -20.517 9.599 1.00 0.00 C ATOM 33 O GLY A 4 -53.617 -20.069 8.622 1.00 0.00 O ATOM 0 H GLY A 4 -55.415 -21.211 9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -53.655 -21.003 11.583 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -53.202 -22.391 10.614 1.00 0.00 H new ATOM 37 N SER A 5 -51.744 -20.238 9.858 1.00 0.00 N ATOM 38 CA SER A 5 -50.962 -19.365 8.990 1.00 0.00 C ATOM 39 C SER A 5 -49.547 -19.908 8.808 1.00 0.00 C ATOM 40 O SER A 5 -49.171 -20.908 9.419 1.00 0.00 O ATOM 41 CB SER A 5 -50.906 -17.951 9.570 1.00 0.00 C ATOM 42 OG SER A 5 -49.956 -17.866 10.618 1.00 0.00 O ATOM 0 H SER A 5 -51.232 -20.603 10.661 1.00 0.00 H new ATOM 0 HA SER A 5 -51.449 -19.331 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 5 -50.648 -17.242 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 5 -51.890 -17.669 9.944 1.00 0.00 H new ATOM 0 HG SER A 5 -49.939 -16.952 10.970 1.00 0.00 H new ATOM 48 N SER A 6 -48.769 -19.240 7.962 1.00 0.00 N ATOM 49 CA SER A 6 -47.397 -19.657 7.695 1.00 0.00 C ATOM 50 C SER A 6 -46.567 -18.488 7.173 1.00 0.00 C ATOM 51 O SER A 6 -47.087 -17.399 6.935 1.00 0.00 O ATOM 52 CB SER A 6 -47.378 -20.803 6.682 1.00 0.00 C ATOM 53 OG SER A 6 -46.201 -21.581 6.814 1.00 0.00 O ATOM 0 H SER A 6 -49.065 -18.409 7.450 1.00 0.00 H new ATOM 0 HA SER A 6 -46.959 -20.002 8.631 1.00 0.00 H new ATOM 0 HB2 SER A 6 -48.254 -21.435 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 6 -47.440 -20.400 5.671 1.00 0.00 H new ATOM 0 HG SER A 6 -46.214 -22.308 6.157 1.00 0.00 H new ATOM 59 N GLY A 7 -45.270 -18.723 6.998 1.00 0.00 N ATOM 60 CA GLY A 7 -44.387 -17.682 6.507 1.00 0.00 C ATOM 61 C GLY A 7 -43.182 -18.240 5.776 1.00 0.00 C ATOM 62 O GLY A 7 -43.092 -19.446 5.544 1.00 0.00 O ATOM 0 H GLY A 7 -44.815 -19.616 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -44.942 -17.025 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -44.049 -17.072 7.345 1.00 0.00 H new ATOM 66 N ALA A 8 -42.254 -17.362 5.411 1.00 0.00 N ATOM 67 CA ALA A 8 -41.048 -17.775 4.703 1.00 0.00 C ATOM 68 C ALA A 8 -40.058 -16.621 4.587 1.00 0.00 C ATOM 69 O ALA A 8 -40.379 -15.479 4.914 1.00 0.00 O ATOM 70 CB ALA A 8 -41.404 -18.308 3.323 1.00 0.00 C ATOM 0 H ALA A 8 -42.314 -16.360 5.594 1.00 0.00 H new ATOM 0 HA ALA A 8 -40.573 -18.571 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -40.495 -18.613 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -42.069 -19.166 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -41.904 -17.528 2.749 1.00 0.00 H new ATOM 76 N SER A 9 -38.851 -16.928 4.120 1.00 0.00 N ATOM 77 CA SER A 9 -37.812 -15.917 3.966 1.00 0.00 C ATOM 78 C SER A 9 -37.472 -15.708 2.493 1.00 0.00 C ATOM 79 O SER A 9 -37.355 -16.655 1.716 1.00 0.00 O ATOM 80 CB SER A 9 -36.556 -16.324 4.738 1.00 0.00 C ATOM 81 OG SER A 9 -35.586 -15.292 4.715 1.00 0.00 O ATOM 0 H SER A 9 -38.569 -17.868 3.842 1.00 0.00 H new ATOM 0 HA SER A 9 -38.190 -14.978 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 9 -36.819 -16.557 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 9 -36.136 -17.231 4.303 1.00 0.00 H new ATOM 0 HG SER A 9 -34.794 -15.576 5.217 1.00 0.00 H new ATOM 87 N PRO A 10 -37.308 -14.436 2.099 1.00 0.00 N ATOM 88 CA PRO A 10 -36.979 -14.071 0.718 1.00 0.00 C ATOM 89 C PRO A 10 -35.559 -14.475 0.335 1.00 0.00 C ATOM 90 O PRO A 10 -34.852 -15.112 1.116 1.00 0.00 O ATOM 91 CB PRO A 10 -37.122 -12.547 0.710 1.00 0.00 C ATOM 92 CG PRO A 10 -36.893 -12.138 2.124 1.00 0.00 C ATOM 93 CD PRO A 10 -37.433 -13.256 2.972 1.00 0.00 C ATOM 0 HA PRO A 10 -37.623 -14.577 -0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -36.396 -12.085 0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -38.111 -12.244 0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.832 -11.979 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -37.401 -11.200 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -36.861 -13.375 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -38.469 -13.077 3.261 1.00 0.00 H new ATOM 101 N VAL A 11 -35.148 -14.099 -0.872 1.00 0.00 N ATOM 102 CA VAL A 11 -33.811 -14.421 -1.358 1.00 0.00 C ATOM 103 C VAL A 11 -33.550 -13.777 -2.715 1.00 0.00 C ATOM 104 O VAL A 11 -34.351 -13.909 -3.640 1.00 0.00 O ATOM 105 CB VAL A 11 -33.609 -15.944 -1.478 1.00 0.00 C ATOM 106 CG1 VAL A 11 -34.406 -16.498 -2.649 1.00 0.00 C ATOM 107 CG2 VAL A 11 -32.131 -16.275 -1.623 1.00 0.00 C ATOM 0 H VAL A 11 -35.721 -13.572 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 11 -33.105 -14.024 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 11 -33.975 -16.415 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -34.251 -17.575 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -35.466 -16.293 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -34.073 -16.024 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -32.006 -17.355 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -31.736 -15.794 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -31.590 -15.914 -0.748 1.00 0.00 H new ATOM 117 N GLU A 12 -32.424 -13.079 -2.826 1.00 0.00 N ATOM 118 CA GLU A 12 -32.058 -12.414 -4.070 1.00 0.00 C ATOM 119 C GLU A 12 -30.726 -12.941 -4.598 1.00 0.00 C ATOM 120 O GLU A 12 -29.760 -13.077 -3.849 1.00 0.00 O ATOM 121 CB GLU A 12 -31.971 -10.901 -3.859 1.00 0.00 C ATOM 122 CG GLU A 12 -30.979 -10.492 -2.784 1.00 0.00 C ATOM 123 CD GLU A 12 -30.705 -9.000 -2.780 1.00 0.00 C ATOM 124 OE1 GLU A 12 -29.839 -8.555 -3.563 1.00 0.00 O ATOM 125 OE2 GLU A 12 -31.354 -8.279 -1.995 1.00 0.00 O ATOM 0 H GLU A 12 -31.750 -12.960 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 12 -32.832 -12.628 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -31.690 -10.427 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -32.958 -10.522 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -31.363 -10.790 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -30.043 -11.029 -2.935 1.00 0.00 H new ATOM 199 N TYR A 17 -22.376 -7.365 -10.661 1.00 0.00 N ATOM 200 CA TYR A 17 -21.145 -6.749 -11.139 1.00 0.00 C ATOM 201 C TYR A 17 -20.068 -6.773 -10.058 1.00 0.00 C ATOM 202 O TYR A 17 -20.070 -5.946 -9.147 1.00 0.00 O ATOM 203 CB TYR A 17 -21.408 -5.308 -11.579 1.00 0.00 C ATOM 204 CG TYR A 17 -22.581 -5.168 -12.523 1.00 0.00 C ATOM 205 CD1 TYR A 17 -22.828 -6.123 -13.501 1.00 0.00 C ATOM 206 CD2 TYR A 17 -23.442 -4.081 -12.437 1.00 0.00 C ATOM 207 CE1 TYR A 17 -23.898 -5.999 -14.367 1.00 0.00 C ATOM 208 CE2 TYR A 17 -24.515 -3.949 -13.297 1.00 0.00 C ATOM 209 CZ TYR A 17 -24.738 -4.911 -14.260 1.00 0.00 C ATOM 210 OH TYR A 17 -25.806 -4.784 -15.120 1.00 0.00 O ATOM 0 HA TYR A 17 -20.790 -7.324 -11.994 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -21.588 -4.694 -10.696 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -20.514 -4.916 -12.063 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -22.173 -6.977 -13.586 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -23.269 -3.326 -11.684 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -24.075 -6.750 -15.123 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -25.175 -3.098 -13.216 1.00 0.00 H new ATOM 0 HH TYR A 17 -26.299 -3.963 -14.911 1.00 0.00 H new ATOM 220 N GLN A 18 -19.150 -7.728 -10.168 1.00 0.00 N ATOM 221 CA GLN A 18 -18.067 -7.862 -9.201 1.00 0.00 C ATOM 222 C GLN A 18 -16.822 -7.118 -9.672 1.00 0.00 C ATOM 223 O GLN A 18 -16.589 -6.973 -10.872 1.00 0.00 O ATOM 224 CB GLN A 18 -17.738 -9.338 -8.972 1.00 0.00 C ATOM 225 CG GLN A 18 -18.456 -9.943 -7.777 1.00 0.00 C ATOM 226 CD GLN A 18 -18.729 -11.424 -7.949 1.00 0.00 C ATOM 227 OE1 GLN A 18 -19.803 -11.821 -8.402 1.00 0.00 O ATOM 228 NE2 GLN A 18 -17.756 -12.252 -7.587 1.00 0.00 N ATOM 0 H GLN A 18 -19.135 -8.420 -10.917 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.397 -7.421 -8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.000 -9.903 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.662 -9.444 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.855 -9.790 -6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.399 -9.419 -7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.882 -11.880 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.883 -13.260 -7.680 1.00 0.00 H new ATOM 237 N CYS A 19 -16.024 -6.647 -8.719 1.00 0.00 N ATOM 238 CA CYS A 19 -14.803 -5.917 -9.035 1.00 0.00 C ATOM 239 C CYS A 19 -13.688 -6.874 -9.446 1.00 0.00 C ATOM 240 O CYS A 19 -13.478 -7.908 -8.811 1.00 0.00 O ATOM 241 CB CYS A 19 -14.357 -5.082 -7.833 1.00 0.00 C ATOM 242 SG CYS A 19 -12.787 -4.192 -8.087 1.00 0.00 S ATOM 0 H CYS A 19 -16.202 -6.758 -7.721 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.014 -5.252 -9.872 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.138 -4.359 -7.596 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.255 -5.736 -6.967 1.00 0.00 H new ATOM 0 HG CYS A 19 -13.007 -3.114 -8.779 1.00 0.00 H new ATOM 247 N ARG A 20 -12.975 -6.522 -10.511 1.00 0.00 N ATOM 248 CA ARG A 20 -11.882 -7.350 -11.007 1.00 0.00 C ATOM 249 C ARG A 20 -10.601 -7.085 -10.222 1.00 0.00 C ATOM 250 O ARG A 20 -9.499 -7.352 -10.704 1.00 0.00 O ATOM 251 CB ARG A 20 -11.646 -7.083 -12.495 1.00 0.00 C ATOM 252 CG ARG A 20 -12.802 -7.515 -13.382 1.00 0.00 C ATOM 253 CD ARG A 20 -12.906 -9.030 -13.463 1.00 0.00 C ATOM 254 NE ARG A 20 -12.059 -9.580 -14.519 1.00 0.00 N ATOM 255 CZ ARG A 20 -12.170 -10.822 -14.977 1.00 0.00 C ATOM 256 NH1 ARG A 20 -13.087 -11.638 -14.476 1.00 0.00 N ATOM 257 NH2 ARG A 20 -11.363 -11.250 -15.940 1.00 0.00 N ATOM 0 H ARG A 20 -13.135 -5.669 -11.047 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.161 -8.395 -10.873 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.466 -6.018 -12.640 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.742 -7.605 -12.810 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.734 -7.106 -12.992 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.667 -7.104 -14.383 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.620 -9.465 -12.505 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.943 -9.313 -13.645 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.344 -8.978 -14.927 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.710 -11.313 -13.737 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.170 -12.591 -14.830 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.657 -10.625 -16.329 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.449 -12.204 -16.291 1.00 0.00 H new ATOM 271 N LEU A 21 -10.752 -6.560 -9.012 1.00 0.00 N ATOM 272 CA LEU A 21 -9.607 -6.259 -8.160 1.00 0.00 C ATOM 273 C LEU A 21 -9.747 -6.936 -6.800 1.00 0.00 C ATOM 274 O LEU A 21 -8.802 -7.544 -6.297 1.00 0.00 O ATOM 275 CB LEU A 21 -9.466 -4.747 -7.977 1.00 0.00 C ATOM 276 CG LEU A 21 -9.621 -3.901 -9.242 1.00 0.00 C ATOM 277 CD1 LEU A 21 -9.636 -2.420 -8.895 1.00 0.00 C ATOM 278 CD2 LEU A 21 -8.504 -4.208 -10.229 1.00 0.00 C ATOM 0 H LEU A 21 -11.656 -6.334 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.712 -6.645 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.209 -4.418 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.486 -4.543 -7.545 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.572 -4.153 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.747 -1.834 -9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.471 -2.212 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.701 -2.152 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.630 -3.597 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.541 -3.984 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.540 -5.263 -10.502 1.00 0.00 H new ATOM 290 N CYS A 22 -10.933 -6.827 -6.210 1.00 0.00 N ATOM 291 CA CYS A 22 -11.199 -7.429 -4.909 1.00 0.00 C ATOM 292 C CYS A 22 -12.371 -8.402 -4.990 1.00 0.00 C ATOM 293 O CYS A 22 -12.707 -9.067 -4.011 1.00 0.00 O ATOM 294 CB CYS A 22 -11.493 -6.344 -3.872 1.00 0.00 C ATOM 295 SG CYS A 22 -12.842 -5.213 -4.341 1.00 0.00 S ATOM 0 H CYS A 22 -11.726 -6.327 -6.613 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.311 -7.982 -4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -11.746 -6.821 -2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.587 -5.762 -3.704 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.734 -4.907 -5.600 1.00 0.00 H new ATOM 300 N ASN A 23 -12.989 -8.480 -6.164 1.00 0.00 N ATOM 301 CA ASN A 23 -14.124 -9.371 -6.373 1.00 0.00 C ATOM 302 C ASN A 23 -15.272 -9.021 -5.430 1.00 0.00 C ATOM 303 O ASN A 23 -15.851 -9.898 -4.789 1.00 0.00 O ATOM 304 CB ASN A 23 -13.702 -10.827 -6.163 1.00 0.00 C ATOM 305 CG ASN A 23 -12.470 -11.193 -6.967 1.00 0.00 C ATOM 306 OD1 ASN A 23 -11.340 -10.987 -6.522 1.00 0.00 O ATOM 307 ND2 ASN A 23 -12.682 -11.739 -8.159 1.00 0.00 N ATOM 0 H ASN A 23 -12.723 -7.937 -6.985 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.469 -9.244 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.505 -10.996 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.524 -11.485 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.891 -12.006 -8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.635 -11.891 -8.488 1.00 0.00 H new ATOM 314 N ALA A 24 -15.594 -7.735 -5.351 1.00 0.00 N ATOM 315 CA ALA A 24 -16.673 -7.269 -4.489 1.00 0.00 C ATOM 316 C ALA A 24 -17.907 -6.898 -5.305 1.00 0.00 C ATOM 317 O ALA A 24 -17.822 -6.127 -6.262 1.00 0.00 O ATOM 318 CB ALA A 24 -16.210 -6.081 -3.658 1.00 0.00 C ATOM 0 H ALA A 24 -15.123 -6.997 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.945 -8.083 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.026 -5.744 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.363 -6.378 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.908 -5.269 -4.320 1.00 0.00 H new ATOM 324 N LYS A 25 -19.052 -7.451 -4.922 1.00 0.00 N ATOM 325 CA LYS A 25 -20.305 -7.178 -5.617 1.00 0.00 C ATOM 326 C LYS A 25 -20.656 -5.695 -5.543 1.00 0.00 C ATOM 327 O LYS A 25 -20.738 -5.120 -4.457 1.00 0.00 O ATOM 328 CB LYS A 25 -21.438 -8.012 -5.016 1.00 0.00 C ATOM 329 CG LYS A 25 -21.274 -9.507 -5.233 1.00 0.00 C ATOM 330 CD LYS A 25 -22.510 -10.273 -4.793 1.00 0.00 C ATOM 331 CE LYS A 25 -22.185 -11.729 -4.493 1.00 0.00 C ATOM 332 NZ LYS A 25 -21.569 -11.894 -3.147 1.00 0.00 N ATOM 0 H LYS A 25 -19.139 -8.092 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.178 -7.451 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.496 -7.813 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.384 -7.692 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.079 -9.703 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.407 -9.863 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.934 -9.803 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.269 -10.222 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.097 -12.324 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.505 -12.113 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.363 -12.900 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.686 -11.347 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.228 -11.551 -2.419 1.00 0.00 H new ATOM 346 N LEU A 26 -20.865 -5.083 -6.703 1.00 0.00 N ATOM 347 CA LEU A 26 -21.210 -3.667 -6.769 1.00 0.00 C ATOM 348 C LEU A 26 -22.718 -3.468 -6.657 1.00 0.00 C ATOM 349 O LEU A 26 -23.471 -4.429 -6.505 1.00 0.00 O ATOM 350 CB LEU A 26 -20.699 -3.058 -8.076 1.00 0.00 C ATOM 351 CG LEU A 26 -19.261 -2.538 -8.058 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.979 -1.792 -6.763 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.277 -3.685 -8.239 1.00 0.00 C ATOM 0 H LEU A 26 -20.802 -5.545 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.733 -3.162 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -20.782 -3.810 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.358 -2.235 -8.352 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.136 -1.843 -8.888 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.951 -1.429 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.661 -0.947 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.122 -2.464 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.259 -3.297 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.403 -4.404 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.463 -4.177 -9.194 1.00 0.00 H new ATOM 365 N SER A 27 -23.151 -2.214 -6.737 1.00 0.00 N ATOM 366 CA SER A 27 -24.570 -1.888 -6.643 1.00 0.00 C ATOM 367 C SER A 27 -25.149 -1.583 -8.021 1.00 0.00 C ATOM 368 O SER A 27 -26.366 -1.525 -8.196 1.00 0.00 O ATOM 369 CB SER A 27 -24.780 -0.692 -5.713 1.00 0.00 C ATOM 370 OG SER A 27 -26.142 -0.565 -5.345 1.00 0.00 O ATOM 0 H SER A 27 -22.540 -1.407 -6.867 1.00 0.00 H new ATOM 0 HA SER A 27 -25.090 -2.754 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 27 -24.168 -0.811 -4.819 1.00 0.00 H new ATOM 0 HB3 SER A 27 -24.447 0.220 -6.208 1.00 0.00 H new ATOM 0 HG SER A 27 -26.710 -0.848 -6.092 1.00 0.00 H new ATOM 376 N SER A 28 -24.268 -1.388 -8.997 1.00 0.00 N ATOM 377 CA SER A 28 -24.690 -1.085 -10.359 1.00 0.00 C ATOM 378 C SER A 28 -23.491 -1.034 -11.301 1.00 0.00 C ATOM 379 O SER A 28 -22.341 -1.066 -10.863 1.00 0.00 O ATOM 380 CB SER A 28 -25.441 0.247 -10.398 1.00 0.00 C ATOM 381 OG SER A 28 -26.465 0.228 -11.378 1.00 0.00 O ATOM 0 H SER A 28 -23.257 -1.435 -8.869 1.00 0.00 H new ATOM 0 HA SER A 28 -25.357 -1.880 -10.692 1.00 0.00 H new ATOM 0 HB2 SER A 28 -25.874 0.452 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.742 1.056 -10.613 1.00 0.00 H new ATOM 0 HG SER A 28 -26.931 1.090 -11.381 1.00 0.00 H new ATOM 387 N LEU A 29 -23.769 -0.954 -12.598 1.00 0.00 N ATOM 388 CA LEU A 29 -22.714 -0.898 -13.604 1.00 0.00 C ATOM 389 C LEU A 29 -21.839 0.336 -13.408 1.00 0.00 C ATOM 390 O LEU A 29 -20.678 0.358 -13.818 1.00 0.00 O ATOM 391 CB LEU A 29 -23.321 -0.889 -15.008 1.00 0.00 C ATOM 392 CG LEU A 29 -22.508 -1.593 -16.095 1.00 0.00 C ATOM 393 CD1 LEU A 29 -22.588 -3.102 -15.929 1.00 0.00 C ATOM 394 CD2 LEU A 29 -22.996 -1.180 -17.476 1.00 0.00 C ATOM 0 H LEU A 29 -24.715 -0.926 -12.977 1.00 0.00 H new ATOM 0 HA LEU A 29 -22.090 -1.785 -13.490 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -24.305 -1.355 -14.960 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -23.473 0.147 -15.310 1.00 0.00 H new ATOM 0 HG LEU A 29 -21.465 -1.292 -15.994 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -22.003 -3.586 -16.712 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -22.191 -3.382 -14.953 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -23.627 -3.422 -16.003 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -22.407 -1.690 -18.238 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -24.046 -1.451 -17.587 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -22.886 -0.102 -17.594 1.00 0.00 H new ATOM 406 N LEU A 30 -22.403 1.360 -12.777 1.00 0.00 N ATOM 407 CA LEU A 30 -21.674 2.598 -12.524 1.00 0.00 C ATOM 408 C LEU A 30 -20.699 2.428 -11.363 1.00 0.00 C ATOM 409 O LEU A 30 -19.552 2.869 -11.435 1.00 0.00 O ATOM 410 CB LEU A 30 -22.651 3.735 -12.222 1.00 0.00 C ATOM 411 CG LEU A 30 -22.198 5.136 -12.636 1.00 0.00 C ATOM 412 CD1 LEU A 30 -22.463 5.367 -14.115 1.00 0.00 C ATOM 413 CD2 LEU A 30 -22.900 6.193 -11.795 1.00 0.00 C ATOM 0 H LEU A 30 -23.363 1.358 -12.431 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.104 2.845 -13.420 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -23.596 3.518 -12.721 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.850 3.741 -11.150 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.125 5.216 -12.463 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.134 6.369 -14.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.915 4.630 -14.702 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -23.530 5.268 -14.313 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.566 7.184 -12.103 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.978 6.113 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -22.659 6.040 -10.743 1.00 0.00 H new ATOM 425 N GLU A 31 -21.162 1.783 -10.297 1.00 0.00 N ATOM 426 CA GLU A 31 -20.330 1.554 -9.122 1.00 0.00 C ATOM 427 C GLU A 31 -19.101 0.722 -9.480 1.00 0.00 C ATOM 428 O GLU A 31 -18.091 0.757 -8.779 1.00 0.00 O ATOM 429 CB GLU A 31 -21.135 0.850 -8.028 1.00 0.00 C ATOM 430 CG GLU A 31 -20.688 1.204 -6.620 1.00 0.00 C ATOM 431 CD GLU A 31 -21.701 0.796 -5.567 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.749 1.467 -5.462 1.00 0.00 O ATOM 433 OE2 GLU A 31 -21.445 -0.192 -4.848 1.00 0.00 O ATOM 0 H GLU A 31 -22.108 1.410 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.997 2.523 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.188 1.107 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.054 -0.228 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.736 0.716 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.516 2.278 -6.557 1.00 0.00 H new ATOM 440 N GLN A 32 -19.198 -0.025 -10.575 1.00 0.00 N ATOM 441 CA GLN A 32 -18.096 -0.866 -11.025 1.00 0.00 C ATOM 442 C GLN A 32 -17.007 -0.029 -11.688 1.00 0.00 C ATOM 443 O GLN A 32 -15.823 -0.185 -11.392 1.00 0.00 O ATOM 444 CB GLN A 32 -18.603 -1.930 -12.000 1.00 0.00 C ATOM 445 CG GLN A 32 -17.636 -3.086 -12.197 1.00 0.00 C ATOM 446 CD GLN A 32 -18.185 -4.155 -13.122 1.00 0.00 C ATOM 447 OE1 GLN A 32 -19.143 -3.922 -13.859 1.00 0.00 O ATOM 448 NE2 GLN A 32 -17.579 -5.336 -13.087 1.00 0.00 N ATOM 0 H GLN A 32 -20.028 -0.065 -11.166 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.669 -1.358 -10.151 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.553 -2.320 -11.636 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.799 -1.463 -12.965 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.699 -2.706 -12.603 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.406 -3.531 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -16.788 -5.485 -12.460 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.904 -6.094 -13.687 1.00 0.00 H new ATOM 457 N GLY A 33 -17.417 0.860 -12.587 1.00 0.00 N ATOM 458 CA GLY A 33 -16.464 1.709 -13.279 1.00 0.00 C ATOM 459 C GLY A 33 -15.773 2.684 -12.346 1.00 0.00 C ATOM 460 O GLY A 33 -14.612 3.037 -12.556 1.00 0.00 O ATOM 0 H GLY A 33 -18.392 1.008 -12.849 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.715 1.086 -13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.979 2.264 -14.063 1.00 0.00 H new ATOM 464 N SER A 34 -16.487 3.122 -11.315 1.00 0.00 N ATOM 465 CA SER A 34 -15.937 4.067 -10.350 1.00 0.00 C ATOM 466 C SER A 34 -15.155 3.338 -9.261 1.00 0.00 C ATOM 467 O SER A 34 -14.028 3.713 -8.934 1.00 0.00 O ATOM 468 CB SER A 34 -17.059 4.895 -9.719 1.00 0.00 C ATOM 469 OG SER A 34 -17.355 6.035 -10.507 1.00 0.00 O ATOM 0 H SER A 34 -17.448 2.838 -11.126 1.00 0.00 H new ATOM 0 HA SER A 34 -15.256 4.733 -10.879 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.953 4.281 -9.612 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.765 5.208 -8.717 1.00 0.00 H new ATOM 0 HG SER A 34 -18.076 6.547 -10.084 1.00 0.00 H new ATOM 475 N HIS A 35 -15.760 2.294 -8.705 1.00 0.00 N ATOM 476 CA HIS A 35 -15.120 1.511 -7.653 1.00 0.00 C ATOM 477 C HIS A 35 -13.732 1.049 -8.087 1.00 0.00 C ATOM 478 O HIS A 35 -12.895 0.704 -7.254 1.00 0.00 O ATOM 479 CB HIS A 35 -15.983 0.301 -7.293 1.00 0.00 C ATOM 480 CG HIS A 35 -15.314 -0.652 -6.351 1.00 0.00 C ATOM 481 ND1 HIS A 35 -15.348 -0.505 -4.980 1.00 0.00 N ATOM 482 CD2 HIS A 35 -14.592 -1.772 -6.589 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.675 -1.491 -4.416 1.00 0.00 C ATOM 484 NE2 HIS A 35 -14.206 -2.275 -5.371 1.00 0.00 N ATOM 0 H HIS A 35 -16.692 1.970 -8.965 1.00 0.00 H new ATOM 0 HA HIS A 35 -15.014 2.147 -6.774 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.914 0.649 -6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.249 -0.230 -8.207 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.362 -2.192 -7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.532 -1.633 -3.355 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.648 -3.117 -5.227 1.00 0.00 H new ATOM 492 N GLU A 36 -13.497 1.047 -9.396 1.00 0.00 N ATOM 493 CA GLU A 36 -12.211 0.626 -9.939 1.00 0.00 C ATOM 494 C GLU A 36 -11.190 1.758 -9.859 1.00 0.00 C ATOM 495 O GLU A 36 -9.983 1.518 -9.821 1.00 0.00 O ATOM 496 CB GLU A 36 -12.370 0.169 -11.391 1.00 0.00 C ATOM 497 CG GLU A 36 -12.787 -1.285 -11.529 1.00 0.00 C ATOM 498 CD GLU A 36 -12.257 -1.926 -12.797 1.00 0.00 C ATOM 499 OE1 GLU A 36 -11.113 -2.425 -12.776 1.00 0.00 O ATOM 500 OE2 GLU A 36 -12.987 -1.927 -13.811 1.00 0.00 O ATOM 0 H GLU A 36 -14.179 1.332 -10.099 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.849 -0.210 -9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.112 0.799 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.426 0.319 -11.916 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.428 -1.845 -10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.875 -1.349 -11.521 1.00 0.00 H new ATOM 507 N ARG A 37 -11.684 2.991 -9.836 1.00 0.00 N ATOM 508 CA ARG A 37 -10.816 4.161 -9.763 1.00 0.00 C ATOM 509 C ARG A 37 -10.202 4.296 -8.372 1.00 0.00 C ATOM 510 O ARG A 37 -9.013 4.585 -8.233 1.00 0.00 O ATOM 511 CB ARG A 37 -11.601 5.427 -10.110 1.00 0.00 C ATOM 512 CG ARG A 37 -11.762 5.652 -11.605 1.00 0.00 C ATOM 513 CD ARG A 37 -12.758 6.764 -11.896 1.00 0.00 C ATOM 514 NE ARG A 37 -12.565 7.337 -13.226 1.00 0.00 N ATOM 515 CZ ARG A 37 -11.645 8.254 -13.505 1.00 0.00 C ATOM 516 NH1 ARG A 37 -10.838 8.700 -12.552 1.00 0.00 N ATOM 517 NH2 ARG A 37 -11.531 8.727 -14.739 1.00 0.00 N ATOM 0 H ARG A 37 -12.681 3.206 -9.867 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.011 4.031 -10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.588 5.370 -9.651 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.096 6.289 -9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.796 5.904 -12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.096 4.729 -12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.772 6.373 -11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.656 7.548 -11.145 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.170 7.015 -13.982 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.923 8.339 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.133 9.404 -12.769 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.150 8.387 -15.475 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.824 9.431 -14.952 1.00 0.00 H new ATOM 531 N LEU A 38 -11.020 4.084 -7.347 1.00 0.00 N ATOM 532 CA LEU A 38 -10.557 4.183 -5.967 1.00 0.00 C ATOM 533 C LEU A 38 -9.898 2.882 -5.519 1.00 0.00 C ATOM 534 O LEU A 38 -8.962 2.891 -4.720 1.00 0.00 O ATOM 535 CB LEU A 38 -11.726 4.521 -5.040 1.00 0.00 C ATOM 536 CG LEU A 38 -13.093 3.979 -5.458 1.00 0.00 C ATOM 537 CD1 LEU A 38 -13.924 3.624 -4.234 1.00 0.00 C ATOM 538 CD2 LEU A 38 -13.826 4.991 -6.327 1.00 0.00 C ATOM 0 H LEU A 38 -12.006 3.843 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.816 4.981 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.496 4.141 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.797 5.606 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.939 3.072 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.894 3.240 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.406 2.863 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.069 4.514 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.797 4.588 -6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.968 5.916 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.238 5.195 -7.222 1.00 0.00 H new ATOM 550 N CYS A 39 -10.393 1.764 -6.041 1.00 0.00 N ATOM 551 CA CYS A 39 -9.852 0.455 -5.697 1.00 0.00 C ATOM 552 C CYS A 39 -8.531 0.205 -6.420 1.00 0.00 C ATOM 553 O CYS A 39 -7.979 -0.894 -6.364 1.00 0.00 O ATOM 554 CB CYS A 39 -10.856 -0.644 -6.052 1.00 0.00 C ATOM 555 SG CYS A 39 -10.345 -2.314 -5.532 1.00 0.00 S ATOM 0 H CYS A 39 -11.168 1.739 -6.704 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.667 0.437 -4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.815 -0.409 -5.590 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.013 -0.643 -7.131 1.00 0.00 H new ATOM 0 HG CYS A 39 -9.053 -2.423 -5.629 1.00 0.00 H new ATOM 560 N ARG A 40 -8.030 1.233 -7.097 1.00 0.00 N ATOM 561 CA ARG A 40 -6.775 1.125 -7.832 1.00 0.00 C ATOM 562 C ARG A 40 -5.714 2.043 -7.232 1.00 0.00 C ATOM 563 O ARG A 40 -4.518 1.778 -7.340 1.00 0.00 O ATOM 564 CB ARG A 40 -6.991 1.472 -9.306 1.00 0.00 C ATOM 565 CG ARG A 40 -7.417 0.285 -10.155 1.00 0.00 C ATOM 566 CD ARG A 40 -7.459 0.643 -11.632 1.00 0.00 C ATOM 567 NE ARG A 40 -7.772 -0.513 -12.467 1.00 0.00 N ATOM 568 CZ ARG A 40 -8.128 -0.423 -13.743 1.00 0.00 C ATOM 569 NH1 ARG A 40 -8.216 0.763 -14.329 1.00 0.00 N ATOM 570 NH2 ARG A 40 -8.397 -1.522 -14.437 1.00 0.00 N ATOM 0 H ARG A 40 -8.474 2.150 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.425 0.095 -7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.749 2.251 -9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.068 1.886 -9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.724 -0.542 -10.000 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.401 -0.058 -9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.205 1.421 -11.795 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.496 1.057 -11.932 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.714 -1.441 -12.047 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.010 1.610 -13.799 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.490 0.828 -15.309 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.330 -2.436 -13.990 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.670 -1.452 -15.417 1.00 0.00 H new ATOM 584 N ASN A 41 -6.162 3.124 -6.601 1.00 0.00 N ATOM 585 CA ASN A 41 -5.251 4.082 -5.986 1.00 0.00 C ATOM 586 C ASN A 41 -5.547 4.235 -4.497 1.00 0.00 C ATOM 587 O ASN A 41 -5.053 5.156 -3.847 1.00 0.00 O ATOM 588 CB ASN A 41 -5.361 5.441 -6.681 1.00 0.00 C ATOM 589 CG ASN A 41 -6.644 6.169 -6.329 1.00 0.00 C ATOM 590 OD1 ASN A 41 -7.719 5.571 -6.292 1.00 0.00 O ATOM 591 ND2 ASN A 41 -6.535 7.466 -6.068 1.00 0.00 N ATOM 0 H ASN A 41 -7.150 3.358 -6.502 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.235 3.704 -6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.508 6.059 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.312 5.299 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.364 8.009 -5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.623 7.920 -6.111 1.00 0.00 H new ATOM 598 N ALA A 42 -6.355 3.325 -3.963 1.00 0.00 N ATOM 599 CA ALA A 42 -6.715 3.357 -2.551 1.00 0.00 C ATOM 600 C ALA A 42 -5.472 3.346 -1.668 1.00 0.00 C ATOM 601 O ALA A 42 -5.303 4.209 -0.807 1.00 0.00 O ATOM 602 CB ALA A 42 -7.617 2.180 -2.210 1.00 0.00 C ATOM 0 H ALA A 42 -6.773 2.556 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.257 4.283 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.878 2.216 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.525 2.232 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.094 1.247 -2.423 1.00 0.00 H new ATOM 608 N ALA A 43 -4.605 2.363 -1.886 1.00 0.00 N ATOM 609 CA ALA A 43 -3.377 2.241 -1.111 1.00 0.00 C ATOM 610 C ALA A 43 -2.179 1.978 -2.017 1.00 0.00 C ATOM 611 O ALA A 43 -2.025 0.883 -2.557 1.00 0.00 O ATOM 612 CB ALA A 43 -3.513 1.132 -0.078 1.00 0.00 C ATOM 0 H ALA A 43 -4.731 1.639 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.208 3.186 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.588 1.052 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.338 1.362 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.710 0.186 -0.583 1.00 0.00 H new ATOM 618 N VAL A 44 -1.333 2.990 -2.180 1.00 0.00 N ATOM 619 CA VAL A 44 -0.148 2.868 -3.021 1.00 0.00 C ATOM 620 C VAL A 44 1.126 3.081 -2.211 1.00 0.00 C ATOM 621 O VAL A 44 1.409 4.191 -1.759 1.00 0.00 O ATOM 622 CB VAL A 44 -0.178 3.878 -4.184 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.060 3.728 -5.055 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.445 3.703 -5.008 1.00 0.00 C ATOM 0 H VAL A 44 -1.446 3.904 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.152 1.857 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.179 4.885 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.021 4.450 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.952 3.908 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.096 2.719 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.450 4.424 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.477 2.693 -5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.317 3.867 -4.374 1.00 0.00 H new ATOM 634 N CYS A 45 1.892 2.011 -2.030 1.00 0.00 N ATOM 635 CA CYS A 45 3.136 2.079 -1.274 1.00 0.00 C ATOM 636 C CYS A 45 4.163 2.947 -1.995 1.00 0.00 C ATOM 637 O CYS A 45 4.581 2.658 -3.116 1.00 0.00 O ATOM 638 CB CYS A 45 3.703 0.674 -1.057 1.00 0.00 C ATOM 639 SG CYS A 45 5.110 0.611 0.098 1.00 0.00 S ATOM 0 H CYS A 45 1.672 1.085 -2.397 1.00 0.00 H new ATOM 0 HA CYS A 45 2.920 2.530 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.910 0.027 -0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.017 0.268 -2.018 1.00 0.00 H new ATOM 0 HG CYS A 45 5.519 -0.617 0.218 1.00 0.00 H new ATOM 644 N PRO A 46 4.582 4.038 -1.336 1.00 0.00 N ATOM 645 CA PRO A 46 5.566 4.971 -1.893 1.00 0.00 C ATOM 646 C PRO A 46 6.962 4.363 -1.972 1.00 0.00 C ATOM 647 O PRO A 46 7.930 5.047 -2.305 1.00 0.00 O ATOM 648 CB PRO A 46 5.546 6.140 -0.905 1.00 0.00 C ATOM 649 CG PRO A 46 5.084 5.542 0.379 1.00 0.00 C ATOM 650 CD PRO A 46 4.127 4.445 0.004 1.00 0.00 C ATOM 0 HA PRO A 46 5.323 5.256 -2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.535 6.587 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.873 6.929 -1.239 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.924 5.148 0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.595 6.289 1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.168 3.617 0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.096 4.799 -0.012 1.00 0.00 H new ATOM 658 N TYR A 47 7.059 3.074 -1.663 1.00 0.00 N ATOM 659 CA TYR A 47 8.337 2.374 -1.696 1.00 0.00 C ATOM 660 C TYR A 47 8.454 1.512 -2.950 1.00 0.00 C ATOM 661 O TYR A 47 9.335 1.724 -3.784 1.00 0.00 O ATOM 662 CB TYR A 47 8.499 1.505 -0.449 1.00 0.00 C ATOM 663 CG TYR A 47 8.429 2.283 0.846 1.00 0.00 C ATOM 664 CD1 TYR A 47 9.062 3.513 0.974 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.730 1.788 1.940 1.00 0.00 C ATOM 666 CE1 TYR A 47 9.000 4.228 2.155 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.662 2.497 3.124 1.00 0.00 C ATOM 668 CZ TYR A 47 8.299 3.716 3.227 1.00 0.00 C ATOM 669 OH TYR A 47 8.235 4.424 4.405 1.00 0.00 O ATOM 0 H TYR A 47 6.267 2.493 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 47 9.131 3.121 -1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.722 0.741 -0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.456 0.986 -0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.612 3.917 0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.231 0.833 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.498 5.183 2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.113 2.099 3.964 1.00 0.00 H new ATOM 0 HH TYR A 47 7.702 3.924 5.058 1.00 0.00 H new ATOM 679 N CYS A 48 7.558 0.539 -3.076 1.00 0.00 N ATOM 680 CA CYS A 48 7.558 -0.356 -4.226 1.00 0.00 C ATOM 681 C CYS A 48 6.439 0.008 -5.199 1.00 0.00 C ATOM 682 O CYS A 48 6.262 -0.643 -6.229 1.00 0.00 O ATOM 683 CB CYS A 48 7.399 -1.808 -3.769 1.00 0.00 C ATOM 684 SG CYS A 48 5.937 -2.102 -2.722 1.00 0.00 S ATOM 0 H CYS A 48 6.822 0.350 -2.395 1.00 0.00 H new ATOM 0 HA CYS A 48 8.513 -0.246 -4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.338 -2.450 -4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.292 -2.105 -3.219 1.00 0.00 H new ATOM 0 HG CYS A 48 5.942 -1.267 -1.726 1.00 0.00 H new ATOM 689 N SER A 49 5.688 1.051 -4.864 1.00 0.00 N ATOM 690 CA SER A 49 4.584 1.500 -5.705 1.00 0.00 C ATOM 691 C SER A 49 3.563 0.384 -5.903 1.00 0.00 C ATOM 692 O SER A 49 3.212 0.041 -7.033 1.00 0.00 O ATOM 693 CB SER A 49 5.109 1.974 -7.061 1.00 0.00 C ATOM 694 OG SER A 49 5.553 3.318 -6.996 1.00 0.00 O ATOM 0 H SER A 49 5.823 1.602 -4.016 1.00 0.00 H new ATOM 0 HA SER A 49 4.092 2.333 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.930 1.332 -7.381 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.323 1.884 -7.810 1.00 0.00 H new ATOM 0 HG SER A 49 5.885 3.596 -7.875 1.00 0.00 H new ATOM 700 N LEU A 50 3.090 -0.180 -4.797 1.00 0.00 N ATOM 701 CA LEU A 50 2.109 -1.258 -4.847 1.00 0.00 C ATOM 702 C LEU A 50 0.694 -0.701 -4.973 1.00 0.00 C ATOM 703 O LEU A 50 0.501 0.509 -5.086 1.00 0.00 O ATOM 704 CB LEU A 50 2.217 -2.130 -3.595 1.00 0.00 C ATOM 705 CG LEU A 50 3.116 -3.362 -3.710 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.476 -3.891 -2.331 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.437 -4.443 -4.538 1.00 0.00 C ATOM 0 H LEU A 50 3.370 0.092 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 50 2.319 -1.867 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.585 -1.511 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.216 -2.460 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 50 4.036 -3.070 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.116 -4.767 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.005 -3.119 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.566 -4.166 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.091 -5.312 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.500 -4.732 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.232 -4.061 -5.538 1.00 0.00 H new ATOM 719 N ARG A 51 -0.291 -1.593 -4.950 1.00 0.00 N ATOM 720 CA ARG A 51 -1.688 -1.191 -5.061 1.00 0.00 C ATOM 721 C ARG A 51 -2.598 -2.186 -4.346 1.00 0.00 C ATOM 722 O ARG A 51 -2.842 -3.287 -4.841 1.00 0.00 O ATOM 723 CB ARG A 51 -2.093 -1.078 -6.532 1.00 0.00 C ATOM 724 CG ARG A 51 -1.540 0.158 -7.222 1.00 0.00 C ATOM 725 CD ARG A 51 -2.153 0.347 -8.601 1.00 0.00 C ATOM 726 NE ARG A 51 -1.568 -0.555 -9.589 1.00 0.00 N ATOM 727 CZ ARG A 51 -1.979 -1.804 -9.778 1.00 0.00 C ATOM 728 NH1 ARG A 51 -2.972 -2.296 -9.050 1.00 0.00 N ATOM 729 NH2 ARG A 51 -1.396 -2.564 -10.697 1.00 0.00 N ATOM 0 H ARG A 51 -0.147 -2.598 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.799 -0.217 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.749 -1.965 -7.064 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.181 -1.066 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.740 1.038 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.457 0.072 -7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.228 0.176 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.010 1.379 -8.923 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.802 -0.207 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.422 -1.715 -8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.286 -3.255 -9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.632 -2.189 -11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.712 -3.523 -10.841 1.00 0.00 H new ATOM 743 N PHE A 52 -3.098 -1.791 -3.180 1.00 0.00 N ATOM 744 CA PHE A 52 -3.980 -2.648 -2.397 1.00 0.00 C ATOM 745 C PHE A 52 -5.424 -2.165 -2.482 1.00 0.00 C ATOM 746 O PHE A 52 -5.705 -1.107 -3.046 1.00 0.00 O ATOM 747 CB PHE A 52 -3.527 -2.682 -0.935 1.00 0.00 C ATOM 748 CG PHE A 52 -2.160 -3.273 -0.745 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.026 -2.487 -0.876 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.008 -4.615 -0.434 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.233 -3.029 -0.702 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.751 -5.162 -0.258 1.00 0.00 C ATOM 753 CZ PHE A 52 0.371 -4.368 -0.391 1.00 0.00 C ATOM 0 H PHE A 52 -2.907 -0.883 -2.757 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.927 -3.655 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.534 -1.667 -0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.247 -3.257 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.128 -1.439 -1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.882 -5.241 -0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.109 -2.406 -0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.646 -6.209 -0.017 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.354 -4.793 -0.252 1.00 0.00 H new ATOM 763 N PHE A 53 -6.338 -2.948 -1.919 1.00 0.00 N ATOM 764 CA PHE A 53 -7.755 -2.602 -1.932 1.00 0.00 C ATOM 765 C PHE A 53 -8.069 -1.553 -0.870 1.00 0.00 C ATOM 766 O PHE A 53 -8.820 -0.610 -1.116 1.00 0.00 O ATOM 767 CB PHE A 53 -8.609 -3.851 -1.701 1.00 0.00 C ATOM 768 CG PHE A 53 -9.951 -3.555 -1.094 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.716 -2.495 -1.555 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.447 -4.336 -0.063 1.00 0.00 C ATOM 771 CE1 PHE A 53 -11.951 -2.221 -0.999 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.682 -4.067 0.496 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.434 -3.007 0.028 1.00 0.00 C ATOM 0 H PHE A 53 -6.123 -3.827 -1.448 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.992 -2.184 -2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.754 -4.363 -2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.067 -4.536 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.343 -1.876 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.862 -5.164 0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.538 -1.393 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.059 -4.685 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.398 -2.793 0.465 1.00 0.00 H new ATOM 783 N SER A 54 -7.488 -1.726 0.313 1.00 0.00 N ATOM 784 CA SER A 54 -7.708 -0.797 1.416 1.00 0.00 C ATOM 785 C SER A 54 -6.409 -0.099 1.806 1.00 0.00 C ATOM 786 O SER A 54 -5.309 -0.584 1.539 1.00 0.00 O ATOM 787 CB SER A 54 -8.287 -1.536 2.624 1.00 0.00 C ATOM 788 OG SER A 54 -9.701 -1.601 2.553 1.00 0.00 O ATOM 0 H SER A 54 -6.862 -2.500 0.532 1.00 0.00 H new ATOM 0 HA SER A 54 -8.420 -0.041 1.086 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.875 -2.544 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.989 -1.029 3.542 1.00 0.00 H new ATOM 0 HG SER A 54 -10.046 -2.079 3.335 1.00 0.00 H new ATOM 794 N PRO A 55 -6.537 1.068 2.455 1.00 0.00 N ATOM 795 CA PRO A 55 -5.384 1.858 2.897 1.00 0.00 C ATOM 796 C PRO A 55 -4.630 1.192 4.042 1.00 0.00 C ATOM 797 O PRO A 55 -3.428 1.397 4.207 1.00 0.00 O ATOM 798 CB PRO A 55 -6.014 3.173 3.365 1.00 0.00 C ATOM 799 CG PRO A 55 -7.410 2.811 3.741 1.00 0.00 C ATOM 800 CD PRO A 55 -7.817 1.705 2.807 1.00 0.00 C ATOM 0 HA PRO A 55 -4.646 1.981 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.472 3.592 4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.999 3.923 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.462 2.484 4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.075 3.669 3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.497 1.002 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.329 2.091 1.926 1.00 0.00 H new ATOM 808 N GLU A 56 -5.343 0.395 4.831 1.00 0.00 N ATOM 809 CA GLU A 56 -4.739 -0.301 5.961 1.00 0.00 C ATOM 810 C GLU A 56 -3.808 -1.411 5.482 1.00 0.00 C ATOM 811 O GLU A 56 -2.699 -1.570 5.994 1.00 0.00 O ATOM 812 CB GLU A 56 -5.824 -0.886 6.867 1.00 0.00 C ATOM 813 CG GLU A 56 -6.343 0.094 7.906 1.00 0.00 C ATOM 814 CD GLU A 56 -5.231 0.717 8.728 1.00 0.00 C ATOM 815 OE1 GLU A 56 -4.157 0.089 8.843 1.00 0.00 O ATOM 816 OE2 GLU A 56 -5.434 1.830 9.254 1.00 0.00 O ATOM 0 H GLU A 56 -6.340 0.215 4.709 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.153 0.422 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.657 -1.224 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.426 -1.765 7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.906 0.883 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.036 -0.421 8.571 1.00 0.00 H new ATOM 823 N LEU A 57 -4.266 -2.176 4.498 1.00 0.00 N ATOM 824 CA LEU A 57 -3.476 -3.272 3.949 1.00 0.00 C ATOM 825 C LEU A 57 -2.063 -2.807 3.609 1.00 0.00 C ATOM 826 O LEU A 57 -1.087 -3.515 3.862 1.00 0.00 O ATOM 827 CB LEU A 57 -4.152 -3.840 2.700 1.00 0.00 C ATOM 828 CG LEU A 57 -5.234 -4.893 2.943 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.937 -5.246 1.642 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.633 -6.137 3.581 1.00 0.00 C ATOM 0 H LEU A 57 -5.181 -2.057 4.063 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.410 -4.054 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.595 -3.014 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.384 -4.278 2.063 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.972 -4.477 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.703 -5.997 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.401 -4.352 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.211 -5.643 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.417 -6.876 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.875 -6.555 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.176 -5.872 4.535 1.00 0.00 H new ATOM 842 N LYS A 58 -1.960 -1.613 3.037 1.00 0.00 N ATOM 843 CA LYS A 58 -0.668 -1.051 2.665 1.00 0.00 C ATOM 844 C LYS A 58 0.115 -0.621 3.902 1.00 0.00 C ATOM 845 O LYS A 58 1.305 -0.910 4.025 1.00 0.00 O ATOM 846 CB LYS A 58 -0.858 0.145 1.729 1.00 0.00 C ATOM 847 CG LYS A 58 0.227 1.199 1.860 1.00 0.00 C ATOM 848 CD LYS A 58 -0.091 2.192 2.966 1.00 0.00 C ATOM 849 CE LYS A 58 0.398 3.590 2.617 1.00 0.00 C ATOM 850 NZ LYS A 58 0.770 4.366 3.833 1.00 0.00 N ATOM 0 H LYS A 58 -2.757 -1.015 2.821 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.100 -1.824 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.884 -0.211 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.825 0.604 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.182 0.716 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.337 1.729 0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.167 2.214 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.374 1.864 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.260 3.518 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.381 4.122 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.356 5.180 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.092 4.703 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.306 3.757 4.483 1.00 0.00 H new ATOM 864 N GLN A 59 -0.562 0.067 4.815 1.00 0.00 N ATOM 865 CA GLN A 59 0.071 0.535 6.043 1.00 0.00 C ATOM 866 C GLN A 59 0.879 -0.581 6.697 1.00 0.00 C ATOM 867 O GLN A 59 1.999 -0.360 7.158 1.00 0.00 O ATOM 868 CB GLN A 59 -0.984 1.057 7.019 1.00 0.00 C ATOM 869 CG GLN A 59 -1.525 2.429 6.653 1.00 0.00 C ATOM 870 CD GLN A 59 -1.976 3.221 7.865 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.891 2.746 8.998 1.00 0.00 O ATOM 872 NE2 GLN A 59 -2.458 4.436 7.633 1.00 0.00 N ATOM 0 H GLN A 59 -1.548 0.313 4.728 1.00 0.00 H new ATOM 0 HA GLN A 59 0.750 1.348 5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.811 0.348 7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.552 1.101 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.755 2.990 6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.364 2.313 5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.510 4.790 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.776 5.015 8.410 1.00 0.00 H new ATOM 881 N GLU A 60 0.303 -1.778 6.735 1.00 0.00 N ATOM 882 CA GLU A 60 0.971 -2.928 7.335 1.00 0.00 C ATOM 883 C GLU A 60 2.153 -3.377 6.482 1.00 0.00 C ATOM 884 O GLU A 60 3.243 -3.632 6.995 1.00 0.00 O ATOM 885 CB GLU A 60 -0.016 -4.084 7.510 1.00 0.00 C ATOM 886 CG GLU A 60 -1.295 -3.690 8.229 1.00 0.00 C ATOM 887 CD GLU A 60 -1.041 -2.776 9.412 1.00 0.00 C ATOM 888 OE1 GLU A 60 -0.627 -3.283 10.475 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.256 -1.553 9.274 1.00 0.00 O ATOM 0 H GLU A 60 -0.624 -1.977 6.358 1.00 0.00 H new ATOM 0 HA GLU A 60 1.346 -2.629 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.270 -4.485 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.471 -4.885 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.964 -3.192 7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.806 -4.589 8.573 1.00 0.00 H new ATOM 896 N HIS A 61 1.929 -3.473 5.175 1.00 0.00 N ATOM 897 CA HIS A 61 2.975 -3.892 4.248 1.00 0.00 C ATOM 898 C HIS A 61 4.192 -2.979 4.354 1.00 0.00 C ATOM 899 O HIS A 61 5.322 -3.448 4.481 1.00 0.00 O ATOM 900 CB HIS A 61 2.445 -3.892 2.814 1.00 0.00 C ATOM 901 CG HIS A 61 3.524 -3.832 1.777 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.178 -4.951 1.306 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.062 -2.779 1.119 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.072 -4.589 0.404 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.022 -3.276 0.272 1.00 0.00 N ATOM 0 H HIS A 61 1.033 -3.266 4.734 1.00 0.00 H new ATOM 0 HA HIS A 61 3.279 -4.904 4.514 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.850 -4.791 2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.778 -3.040 2.682 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.788 -1.741 1.238 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.732 -5.254 -0.134 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.602 -2.721 -0.357 1.00 0.00 H new ATOM 913 N GLU A 62 3.952 -1.672 4.301 1.00 0.00 N ATOM 914 CA GLU A 62 5.030 -0.694 4.389 1.00 0.00 C ATOM 915 C GLU A 62 6.006 -1.059 5.504 1.00 0.00 C ATOM 916 O GLU A 62 7.199 -0.767 5.419 1.00 0.00 O ATOM 917 CB GLU A 62 4.460 0.705 4.634 1.00 0.00 C ATOM 918 CG GLU A 62 4.224 1.497 3.359 1.00 0.00 C ATOM 919 CD GLU A 62 3.314 2.692 3.575 1.00 0.00 C ATOM 920 OE1 GLU A 62 2.543 2.680 4.557 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.373 3.637 2.761 1.00 0.00 O ATOM 0 H GLU A 62 3.022 -1.267 4.198 1.00 0.00 H new ATOM 0 HA GLU A 62 5.569 -0.699 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.518 0.615 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.145 1.260 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.181 1.840 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.786 0.843 2.605 1.00 0.00 H new ATOM 928 N SER A 63 5.490 -1.700 6.548 1.00 0.00 N ATOM 929 CA SER A 63 6.315 -2.101 7.682 1.00 0.00 C ATOM 930 C SER A 63 7.207 -3.283 7.313 1.00 0.00 C ATOM 931 O SER A 63 8.379 -3.331 7.686 1.00 0.00 O ATOM 932 CB SER A 63 5.432 -2.467 8.877 1.00 0.00 C ATOM 933 OG SER A 63 6.124 -2.278 10.099 1.00 0.00 O ATOM 0 H SER A 63 4.505 -1.953 6.632 1.00 0.00 H new ATOM 0 HA SER A 63 6.951 -1.259 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.530 -1.855 8.868 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.113 -3.506 8.793 1.00 0.00 H new ATOM 0 HG SER A 63 5.538 -2.517 10.847 1.00 0.00 H new ATOM 939 N LYS A 64 6.643 -4.235 6.578 1.00 0.00 N ATOM 940 CA LYS A 64 7.385 -5.417 6.156 1.00 0.00 C ATOM 941 C LYS A 64 7.877 -5.267 4.720 1.00 0.00 C ATOM 942 O LYS A 64 8.331 -6.232 4.105 1.00 0.00 O ATOM 943 CB LYS A 64 6.508 -6.666 6.278 1.00 0.00 C ATOM 944 CG LYS A 64 5.224 -6.589 5.469 1.00 0.00 C ATOM 945 CD LYS A 64 4.091 -7.338 6.150 1.00 0.00 C ATOM 946 CE LYS A 64 3.603 -6.604 7.389 1.00 0.00 C ATOM 947 NZ LYS A 64 2.897 -7.516 8.332 1.00 0.00 N ATOM 0 H LYS A 64 5.674 -4.211 6.262 1.00 0.00 H new ATOM 0 HA LYS A 64 8.251 -5.523 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.081 -7.535 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.258 -6.823 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.941 -5.545 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.393 -7.006 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.264 -7.463 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.428 -8.337 6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.451 -6.143 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.932 -5.798 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.580 -6.978 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.073 -7.937 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.545 -8.271 8.635 1.00 0.00 H new ATOM 961 N CYS A 65 7.784 -4.051 4.192 1.00 0.00 N ATOM 962 CA CYS A 65 8.221 -3.774 2.829 1.00 0.00 C ATOM 963 C CYS A 65 9.740 -3.858 2.717 1.00 0.00 C ATOM 964 O CYS A 65 10.461 -3.524 3.657 1.00 0.00 O ATOM 965 CB CYS A 65 7.741 -2.389 2.389 1.00 0.00 C ATOM 966 SG CYS A 65 8.091 -2.001 0.644 1.00 0.00 S ATOM 0 H CYS A 65 7.410 -3.242 4.688 1.00 0.00 H new ATOM 0 HA CYS A 65 7.784 -4.528 2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.666 -2.318 2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.213 -1.635 3.019 1.00 0.00 H new ATOM 0 HG CYS A 65 7.686 -2.981 -0.108 1.00 0.00 H new ATOM 971 N GLU A 66 10.219 -4.305 1.560 1.00 0.00 N ATOM 972 CA GLU A 66 11.653 -4.433 1.326 1.00 0.00 C ATOM 973 C GLU A 66 12.210 -3.175 0.667 1.00 0.00 C ATOM 974 O GLU A 66 13.349 -2.780 0.920 1.00 0.00 O ATOM 975 CB GLU A 66 11.942 -5.653 0.449 1.00 0.00 C ATOM 976 CG GLU A 66 11.296 -5.582 -0.924 1.00 0.00 C ATOM 977 CD GLU A 66 11.172 -6.943 -1.582 1.00 0.00 C ATOM 978 OE1 GLU A 66 12.216 -7.594 -1.798 1.00 0.00 O ATOM 979 OE2 GLU A 66 10.033 -7.357 -1.880 1.00 0.00 O ATOM 0 H GLU A 66 9.636 -4.584 0.771 1.00 0.00 H new ATOM 0 HA GLU A 66 12.143 -4.564 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.020 -5.756 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.591 -6.549 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.306 -5.135 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.884 -4.925 -1.565 1.00 0.00 H new ATOM 986 N TYR A 67 11.401 -2.550 -0.181 1.00 0.00 N ATOM 987 CA TYR A 67 11.813 -1.339 -0.880 1.00 0.00 C ATOM 988 C TYR A 67 12.012 -0.186 0.099 1.00 0.00 C ATOM 989 O TYR A 67 12.789 0.734 -0.155 1.00 0.00 O ATOM 990 CB TYR A 67 10.773 -0.954 -1.934 1.00 0.00 C ATOM 991 CG TYR A 67 11.068 -1.512 -3.308 1.00 0.00 C ATOM 992 CD1 TYR A 67 11.013 -2.879 -3.550 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.402 -0.673 -4.363 1.00 0.00 C ATOM 994 CE1 TYR A 67 11.282 -3.394 -4.803 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.671 -1.178 -5.620 1.00 0.00 C ATOM 996 CZ TYR A 67 11.611 -2.539 -5.835 1.00 0.00 C ATOM 997 OH TYR A 67 11.879 -3.048 -7.086 1.00 0.00 O ATOM 0 H TYR A 67 10.455 -2.862 -0.401 1.00 0.00 H new ATOM 0 HA TYR A 67 12.763 -1.541 -1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.793 -1.306 -1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.717 0.133 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.755 -3.551 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.452 0.393 -4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.235 -4.459 -4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.927 -0.511 -6.430 1.00 0.00 H new ATOM 0 HH TYR A 67 12.092 -2.314 -7.699 1.00 0.00 H new ATOM 1007 N LYS A 68 11.303 -0.243 1.222 1.00 0.00 N ATOM 1008 CA LYS A 68 11.401 0.794 2.243 1.00 0.00 C ATOM 1009 C LYS A 68 12.859 1.136 2.533 1.00 0.00 C ATOM 1010 O LYS A 68 13.283 2.280 2.369 1.00 0.00 O ATOM 1011 CB LYS A 68 10.707 0.339 3.529 1.00 0.00 C ATOM 1012 CG LYS A 68 10.854 1.321 4.679 1.00 0.00 C ATOM 1013 CD LYS A 68 9.982 0.929 5.860 1.00 0.00 C ATOM 1014 CE LYS A 68 9.847 2.071 6.856 1.00 0.00 C ATOM 1015 NZ LYS A 68 9.559 1.578 8.231 1.00 0.00 N ATOM 0 H LYS A 68 10.654 -0.997 1.448 1.00 0.00 H new ATOM 0 HA LYS A 68 10.905 1.688 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.647 0.186 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.116 -0.625 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.897 1.362 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.583 2.321 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.994 0.637 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.411 0.059 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.767 2.655 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.048 2.740 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.474 2.387 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.668 1.042 8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.333 0.960 8.548 1.00 0.00 H new ATOM 1029 N LYS A 69 13.622 0.137 2.964 1.00 0.00 N ATOM 1030 CA LYS A 69 15.033 0.330 3.274 1.00 0.00 C ATOM 1031 C LYS A 69 15.764 0.980 2.103 1.00 0.00 C ATOM 1032 O LYS A 69 16.711 1.743 2.296 1.00 0.00 O ATOM 1033 CB LYS A 69 15.689 -1.009 3.619 1.00 0.00 C ATOM 1034 CG LYS A 69 16.027 -1.852 2.402 1.00 0.00 C ATOM 1035 CD LYS A 69 16.052 -3.333 2.739 1.00 0.00 C ATOM 1036 CE LYS A 69 16.045 -4.191 1.483 1.00 0.00 C ATOM 1037 NZ LYS A 69 17.424 -4.468 0.993 1.00 0.00 N ATOM 0 H LYS A 69 13.286 -0.815 3.107 1.00 0.00 H new ATOM 0 HA LYS A 69 15.102 0.994 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.601 -0.822 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.021 -1.575 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.294 -1.669 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.998 -1.551 2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.940 -3.558 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.188 -3.582 3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.537 -5.133 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.476 -3.687 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.376 -5.055 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.901 -3.571 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.959 -4.972 1.729 1.00 0.00 H new ATOM 1051 N LEU A 70 15.318 0.673 0.890 1.00 0.00 N ATOM 1052 CA LEU A 70 15.928 1.228 -0.313 1.00 0.00 C ATOM 1053 C LEU A 70 15.257 2.539 -0.709 1.00 0.00 C ATOM 1054 O LEU A 70 15.242 2.913 -1.882 1.00 0.00 O ATOM 1055 CB LEU A 70 15.836 0.226 -1.465 1.00 0.00 C ATOM 1056 CG LEU A 70 16.371 -1.177 -1.178 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.880 -2.161 -2.229 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.892 -1.167 -1.124 1.00 0.00 C ATOM 0 H LEU A 70 14.536 0.043 0.713 1.00 0.00 H new ATOM 0 HA LEU A 70 16.978 1.429 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.791 0.141 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.379 0.633 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 70 15.995 -1.497 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.271 -3.154 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.790 -2.190 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.226 -1.845 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.255 -2.174 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.288 -0.826 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 70 18.224 -0.494 -0.334 1.00 0.00 H new ATOM 1070 N THR A 71 14.702 3.236 0.278 1.00 0.00 N ATOM 1071 CA THR A 71 14.030 4.506 0.033 1.00 0.00 C ATOM 1072 C THR A 71 14.660 5.628 0.851 1.00 0.00 C ATOM 1073 O THR A 71 14.508 5.681 2.072 1.00 0.00 O ATOM 1074 CB THR A 71 12.530 4.421 0.369 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.926 3.343 -0.354 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.824 5.725 0.028 1.00 0.00 C ATOM 0 H THR A 71 14.705 2.942 1.255 1.00 0.00 H new ATOM 0 HA THR A 71 14.145 4.725 -1.028 1.00 0.00 H new ATOM 0 HB THR A 71 12.430 4.241 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.334 2.495 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.765 5.641 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.266 6.539 0.602 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.934 5.930 -1.037 1.00 0.00 H new ATOM 1084 N CYS A 72 15.367 6.525 0.172 1.00 0.00 N ATOM 1085 CA CYS A 72 16.020 7.647 0.835 1.00 0.00 C ATOM 1086 C CYS A 72 14.989 8.612 1.413 1.00 0.00 C ATOM 1087 O CYS A 72 14.653 9.622 0.794 1.00 0.00 O ATOM 1088 CB CYS A 72 16.932 8.385 -0.146 1.00 0.00 C ATOM 1089 SG CYS A 72 18.048 9.591 0.640 1.00 0.00 S ATOM 0 H CYS A 72 15.502 6.496 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 72 16.622 7.253 1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.530 7.654 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.315 8.902 -0.881 1.00 0.00 H new ATOM 0 HG CYS A 72 18.748 8.998 1.561 1.00 0.00 H new ATOM 1094 N LEU A 73 14.491 8.293 2.602 1.00 0.00 N ATOM 1095 CA LEU A 73 13.498 9.132 3.265 1.00 0.00 C ATOM 1096 C LEU A 73 13.893 10.603 3.196 1.00 0.00 C ATOM 1097 O LEU A 73 13.054 11.470 2.955 1.00 0.00 O ATOM 1098 CB LEU A 73 13.333 8.705 4.725 1.00 0.00 C ATOM 1099 CG LEU A 73 13.090 7.214 4.965 1.00 0.00 C ATOM 1100 CD1 LEU A 73 13.002 6.921 6.455 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.825 6.759 4.253 1.00 0.00 C ATOM 0 H LEU A 73 14.758 7.460 3.127 1.00 0.00 H new ATOM 0 HA LEU A 73 12.548 9.005 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.229 8.999 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.500 9.262 5.154 1.00 0.00 H new ATOM 0 HG LEU A 73 13.933 6.657 4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.829 5.856 6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.935 7.209 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.178 7.488 6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.668 5.696 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.972 7.322 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.928 6.933 3.182 1.00 0.00 H new ATOM 1113 N GLU A 74 15.178 10.876 3.406 1.00 0.00 N ATOM 1114 CA GLU A 74 15.684 12.243 3.365 1.00 0.00 C ATOM 1115 C GLU A 74 15.055 13.022 2.213 1.00 0.00 C ATOM 1116 O GLU A 74 14.400 14.043 2.424 1.00 0.00 O ATOM 1117 CB GLU A 74 17.207 12.242 3.223 1.00 0.00 C ATOM 1118 CG GLU A 74 17.941 12.035 4.537 1.00 0.00 C ATOM 1119 CD GLU A 74 17.951 10.584 4.977 1.00 0.00 C ATOM 1120 OE1 GLU A 74 18.147 9.703 4.113 1.00 0.00 O ATOM 1121 OE2 GLU A 74 17.763 10.328 6.185 1.00 0.00 O ATOM 0 H GLU A 74 15.886 10.169 3.606 1.00 0.00 H new ATOM 0 HA GLU A 74 15.414 12.732 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.498 11.456 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.523 13.189 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.968 12.387 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 74 17.471 12.642 5.311 1.00 0.00 H new ATOM 1128 N CYS A 75 15.260 12.533 0.995 1.00 0.00 N ATOM 1129 CA CYS A 75 14.716 13.182 -0.192 1.00 0.00 C ATOM 1130 C CYS A 75 13.672 12.296 -0.866 1.00 0.00 C ATOM 1131 O CYS A 75 13.464 12.376 -2.076 1.00 0.00 O ATOM 1132 CB CYS A 75 15.837 13.510 -1.180 1.00 0.00 C ATOM 1133 SG CYS A 75 16.659 12.044 -1.884 1.00 0.00 S ATOM 0 H CYS A 75 15.799 11.689 0.804 1.00 0.00 H new ATOM 0 HA CYS A 75 14.234 14.109 0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.427 14.109 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.583 14.125 -0.676 1.00 0.00 H new ATOM 0 HG CYS A 75 17.110 11.295 -0.922 1.00 0.00 H new ATOM 1138 N MET A 76 13.018 11.453 -0.073 1.00 0.00 N ATOM 1139 CA MET A 76 11.995 10.554 -0.592 1.00 0.00 C ATOM 1140 C MET A 76 12.354 10.074 -1.995 1.00 0.00 C ATOM 1141 O MET A 76 11.554 10.189 -2.924 1.00 0.00 O ATOM 1142 CB MET A 76 10.634 11.252 -0.612 1.00 0.00 C ATOM 1143 CG MET A 76 9.829 11.052 0.662 1.00 0.00 C ATOM 1144 SD MET A 76 8.749 9.611 0.581 1.00 0.00 S ATOM 1145 CE MET A 76 9.941 8.284 0.744 1.00 0.00 C ATOM 0 H MET A 76 13.179 11.374 0.931 1.00 0.00 H new ATOM 0 HA MET A 76 11.941 9.687 0.067 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.785 12.319 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.057 10.880 -1.459 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.511 10.943 1.505 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.228 11.942 0.851 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.427 7.367 1.031 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.449 8.133 -0.208 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.673 8.544 1.509 1.00 0.00 H new ATOM 1155 N ARG A 77 13.561 9.537 -2.141 1.00 0.00 N ATOM 1156 CA ARG A 77 14.025 9.042 -3.431 1.00 0.00 C ATOM 1157 C ARG A 77 14.388 7.562 -3.347 1.00 0.00 C ATOM 1158 O ARG A 77 15.385 7.189 -2.727 1.00 0.00 O ATOM 1159 CB ARG A 77 15.236 9.848 -3.905 1.00 0.00 C ATOM 1160 CG ARG A 77 15.504 9.725 -5.396 1.00 0.00 C ATOM 1161 CD ARG A 77 16.963 9.999 -5.725 1.00 0.00 C ATOM 1162 NE ARG A 77 17.152 10.344 -7.131 1.00 0.00 N ATOM 1163 CZ ARG A 77 17.099 9.457 -8.119 1.00 0.00 C ATOM 1164 NH1 ARG A 77 16.863 8.179 -7.855 1.00 0.00 N ATOM 1165 NH2 ARG A 77 17.281 9.848 -9.374 1.00 0.00 N ATOM 0 H ARG A 77 14.235 9.434 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 77 13.214 9.160 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.082 10.898 -3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.119 9.518 -3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.236 8.724 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.870 10.425 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.329 10.813 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.560 9.119 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 77 17.335 11.319 -7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.722 7.875 -6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.823 7.500 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.462 10.830 -9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.240 9.166 -10.132 1.00 0.00 H new ATOM 1179 N THR A 78 13.572 6.721 -3.975 1.00 0.00 N ATOM 1180 CA THR A 78 13.805 5.282 -3.969 1.00 0.00 C ATOM 1181 C THR A 78 14.830 4.888 -5.026 1.00 0.00 C ATOM 1182 O THR A 78 15.047 5.613 -5.996 1.00 0.00 O ATOM 1183 CB THR A 78 12.501 4.501 -4.219 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.491 4.927 -3.298 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.730 3.004 -4.071 1.00 0.00 C ATOM 0 H THR A 78 12.744 7.012 -4.494 1.00 0.00 H new ATOM 0 HA THR A 78 14.189 5.027 -2.981 1.00 0.00 H new ATOM 0 HB THR A 78 12.172 4.703 -5.238 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.665 4.427 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.795 2.473 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.478 2.677 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.081 2.788 -3.062 1.00 0.00 H new ATOM 1193 N PHE A 79 15.459 3.733 -4.832 1.00 0.00 N ATOM 1194 CA PHE A 79 16.463 3.242 -5.768 1.00 0.00 C ATOM 1195 C PHE A 79 16.216 1.775 -6.110 1.00 0.00 C ATOM 1196 O PHE A 79 15.222 1.185 -5.686 1.00 0.00 O ATOM 1197 CB PHE A 79 17.865 3.412 -5.181 1.00 0.00 C ATOM 1198 CG PHE A 79 18.339 4.837 -5.163 1.00 0.00 C ATOM 1199 CD1 PHE A 79 17.690 5.786 -4.389 1.00 0.00 C ATOM 1200 CD2 PHE A 79 19.432 5.227 -5.919 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.124 7.098 -4.371 1.00 0.00 C ATOM 1202 CE2 PHE A 79 19.871 6.538 -5.904 1.00 0.00 C ATOM 1203 CZ PHE A 79 19.216 7.475 -5.129 1.00 0.00 C ATOM 0 H PHE A 79 15.291 3.120 -4.034 1.00 0.00 H new ATOM 0 HA PHE A 79 16.387 3.828 -6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 79 17.874 3.022 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 79 18.567 2.811 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.836 5.497 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 79 19.947 4.499 -6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.610 7.829 -3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 79 20.725 6.829 -6.498 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.557 8.500 -5.116 1.00 0.00 H new ATOM 1213 N LYS A 80 17.128 1.192 -6.880 1.00 0.00 N ATOM 1214 CA LYS A 80 17.013 -0.206 -7.280 1.00 0.00 C ATOM 1215 C LYS A 80 17.629 -1.124 -6.230 1.00 0.00 C ATOM 1216 O LYS A 80 17.062 -2.163 -5.891 1.00 0.00 O ATOM 1217 CB LYS A 80 17.695 -0.429 -8.632 1.00 0.00 C ATOM 1218 CG LYS A 80 17.110 -1.585 -9.424 1.00 0.00 C ATOM 1219 CD LYS A 80 15.717 -1.261 -9.938 1.00 0.00 C ATOM 1220 CE LYS A 80 15.003 -2.508 -10.437 1.00 0.00 C ATOM 1221 NZ LYS A 80 13.528 -2.317 -10.494 1.00 0.00 N ATOM 0 H LYS A 80 17.956 1.666 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 80 15.954 -0.446 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.616 0.483 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.757 -0.612 -8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.764 -1.819 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.069 -2.474 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.132 -0.800 -9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.786 -0.532 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.374 -2.767 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.235 -3.347 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.078 -3.189 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.170 -2.095 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.304 -1.533 -11.140 1.00 0.00 H new ATOM 1235 N SER A 81 18.791 -0.734 -5.717 1.00 0.00 N ATOM 1236 CA SER A 81 19.485 -1.524 -4.707 1.00 0.00 C ATOM 1237 C SER A 81 19.952 -0.642 -3.553 1.00 0.00 C ATOM 1238 O SER A 81 19.681 0.559 -3.526 1.00 0.00 O ATOM 1239 CB SER A 81 20.682 -2.247 -5.327 1.00 0.00 C ATOM 1240 OG SER A 81 21.844 -1.437 -5.287 1.00 0.00 O ATOM 0 H SER A 81 19.272 0.125 -5.984 1.00 0.00 H new ATOM 0 HA SER A 81 18.785 -2.263 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.866 -3.178 -4.791 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.455 -2.513 -6.360 1.00 0.00 H new ATOM 0 HG SER A 81 22.595 -1.922 -5.688 1.00 0.00 H new ATOM 1246 N SER A 82 20.655 -1.246 -2.601 1.00 0.00 N ATOM 1247 CA SER A 82 21.157 -0.518 -1.442 1.00 0.00 C ATOM 1248 C SER A 82 22.506 0.127 -1.748 1.00 0.00 C ATOM 1249 O SER A 82 22.759 1.272 -1.373 1.00 0.00 O ATOM 1250 CB SER A 82 21.288 -1.456 -0.240 1.00 0.00 C ATOM 1251 OG SER A 82 21.530 -0.728 0.951 1.00 0.00 O ATOM 0 H SER A 82 20.890 -2.239 -2.609 1.00 0.00 H new ATOM 0 HA SER A 82 20.443 0.270 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.376 -2.043 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.102 -2.160 -0.411 1.00 0.00 H new ATOM 0 HG SER A 82 21.608 -1.350 1.704 1.00 0.00 H new ATOM 1257 N PHE A 83 23.369 -0.618 -2.431 1.00 0.00 N ATOM 1258 CA PHE A 83 24.693 -0.121 -2.787 1.00 0.00 C ATOM 1259 C PHE A 83 24.589 1.139 -3.642 1.00 0.00 C ATOM 1260 O PHE A 83 25.356 2.086 -3.467 1.00 0.00 O ATOM 1261 CB PHE A 83 25.479 -1.197 -3.539 1.00 0.00 C ATOM 1262 CG PHE A 83 26.847 -0.749 -3.968 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.871 -0.624 -3.042 1.00 0.00 C ATOM 1264 CD2 PHE A 83 27.110 -0.455 -5.296 1.00 0.00 C ATOM 1265 CE1 PHE A 83 29.131 -0.211 -3.434 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.368 -0.043 -5.694 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.380 0.078 -4.761 1.00 0.00 C ATOM 0 H PHE A 83 23.175 -1.568 -2.749 1.00 0.00 H new ATOM 0 HA PHE A 83 25.220 0.128 -1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.576 -2.076 -2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.912 -1.502 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.683 -0.852 -2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.323 -0.549 -6.029 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.920 -0.115 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.560 0.184 -6.732 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.364 0.398 -5.069 1.00 0.00 H new ATOM 1277 N SER A 84 23.634 1.143 -4.567 1.00 0.00 N ATOM 1278 CA SER A 84 23.432 2.284 -5.452 1.00 0.00 C ATOM 1279 C SER A 84 23.029 3.523 -4.657 1.00 0.00 C ATOM 1280 O SER A 84 23.672 4.569 -4.750 1.00 0.00 O ATOM 1281 CB SER A 84 22.360 1.963 -6.495 1.00 0.00 C ATOM 1282 OG SER A 84 22.582 2.687 -7.693 1.00 0.00 O ATOM 0 H SER A 84 22.988 0.369 -4.723 1.00 0.00 H new ATOM 0 HA SER A 84 24.374 2.490 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.363 0.894 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.375 2.207 -6.096 1.00 0.00 H new ATOM 0 HG SER A 84 21.885 2.463 -8.344 1.00 0.00 H new ATOM 1288 N ILE A 85 21.961 3.396 -3.877 1.00 0.00 N ATOM 1289 CA ILE A 85 21.473 4.505 -3.065 1.00 0.00 C ATOM 1290 C ILE A 85 22.524 4.950 -2.054 1.00 0.00 C ATOM 1291 O ILE A 85 22.746 6.146 -1.861 1.00 0.00 O ATOM 1292 CB ILE A 85 20.183 4.127 -2.314 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.731 5.282 -1.419 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.399 2.865 -1.492 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.290 5.172 -0.971 1.00 0.00 C ATOM 0 H ILE A 85 21.417 2.537 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 85 21.259 5.327 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 85 19.399 3.931 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.374 5.323 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.865 6.221 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.478 2.611 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.679 2.044 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.195 3.035 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.039 6.025 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.637 5.162 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.154 4.250 -0.406 1.00 0.00 H new ATOM 1307 N TRP A 86 23.169 3.982 -1.414 1.00 0.00 N ATOM 1308 CA TRP A 86 24.199 4.275 -0.424 1.00 0.00 C ATOM 1309 C TRP A 86 25.119 5.390 -0.908 1.00 0.00 C ATOM 1310 O TRP A 86 25.429 6.319 -0.163 1.00 0.00 O ATOM 1311 CB TRP A 86 25.016 3.018 -0.121 1.00 0.00 C ATOM 1312 CG TRP A 86 25.945 3.180 1.044 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.596 3.375 2.350 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.377 3.164 1.007 1.00 0.00 C ATOM 1315 NE1 TRP A 86 26.725 3.480 3.127 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.829 3.353 2.328 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.320 3.005 -0.012 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 29.183 3.390 2.652 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.663 3.042 0.312 1.00 0.00 C ATOM 1320 CH2 TRP A 86 30.084 3.232 1.634 1.00 0.00 C ATOM 0 H TRP A 86 22.997 2.988 -1.563 1.00 0.00 H new ATOM 0 HA TRP A 86 23.706 4.608 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.335 2.190 0.079 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.596 2.748 -1.004 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.583 3.437 2.718 1.00 0.00 H new ATOM 0 HE1 TRP A 86 26.738 3.629 4.136 1.00 0.00 H new ATOM 0 HE3 TRP A 86 28.005 2.856 -1.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.510 3.538 3.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.401 2.922 -0.468 1.00 0.00 H new ATOM 0 HH2 TRP A 86 31.141 3.254 1.855 1.00 0.00 H new ATOM 1331 N ARG A 87 25.551 5.292 -2.161 1.00 0.00 N ATOM 1332 CA ARG A 87 26.436 6.293 -2.744 1.00 0.00 C ATOM 1333 C ARG A 87 25.744 7.650 -2.827 1.00 0.00 C ATOM 1334 O ARG A 87 26.380 8.694 -2.675 1.00 0.00 O ATOM 1335 CB ARG A 87 26.889 5.854 -4.138 1.00 0.00 C ATOM 1336 CG ARG A 87 27.774 4.618 -4.130 1.00 0.00 C ATOM 1337 CD ARG A 87 29.209 4.964 -3.764 1.00 0.00 C ATOM 1338 NE ARG A 87 29.894 5.672 -4.843 1.00 0.00 N ATOM 1339 CZ ARG A 87 30.460 5.063 -5.878 1.00 0.00 C ATOM 1340 NH1 ARG A 87 30.424 3.741 -5.976 1.00 0.00 N ATOM 1341 NH2 ARG A 87 31.065 5.776 -6.820 1.00 0.00 N ATOM 0 H ARG A 87 25.303 4.530 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 87 27.309 6.389 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.010 5.657 -4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.429 6.674 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.381 3.892 -3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 87 27.751 4.146 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 87 29.215 5.580 -2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.753 4.050 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 87 29.940 6.690 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 87 29.960 3.189 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 87 30.860 3.277 -6.773 1.00 0.00 H new ATOM 0 HH21 ARG A 87 31.095 6.793 -6.749 1.00 0.00 H new ATOM 0 HH22 ARG A 87 31.499 5.307 -7.615 1.00 0.00 H new ATOM 1355 N HIS A 88 24.437 7.628 -3.068 1.00 0.00 N ATOM 1356 CA HIS A 88 23.657 8.856 -3.171 1.00 0.00 C ATOM 1357 C HIS A 88 23.465 9.494 -1.798 1.00 0.00 C ATOM 1358 O HIS A 88 23.306 10.709 -1.685 1.00 0.00 O ATOM 1359 CB HIS A 88 22.297 8.571 -3.808 1.00 0.00 C ATOM 1360 CG HIS A 88 21.272 9.626 -3.529 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.143 10.769 -4.290 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.322 9.707 -2.568 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.159 11.508 -3.807 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.645 10.885 -2.762 1.00 0.00 N ATOM 0 H HIS A 88 23.896 6.773 -3.196 1.00 0.00 H new ATOM 0 HA HIS A 88 24.206 9.553 -3.803 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.423 8.475 -4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 88 21.928 7.612 -3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.132 8.980 -1.793 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.831 12.459 -4.200 1.00 0.00 H new ATOM 0 HE2 HIS A 88 18.870 11.224 -2.192 1.00 0.00 H new ATOM 1372 N GLN A 89 23.482 8.666 -0.759 1.00 0.00 N ATOM 1373 CA GLN A 89 23.308 9.150 0.606 1.00 0.00 C ATOM 1374 C GLN A 89 24.657 9.376 1.279 1.00 0.00 C ATOM 1375 O GLN A 89 24.744 10.040 2.312 1.00 0.00 O ATOM 1376 CB GLN A 89 22.478 8.155 1.420 1.00 0.00 C ATOM 1377 CG GLN A 89 21.118 7.855 0.812 1.00 0.00 C ATOM 1378 CD GLN A 89 20.331 6.838 1.614 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.239 7.127 2.104 1.00 0.00 O ATOM 1380 NE2 GLN A 89 20.883 5.638 1.753 1.00 0.00 N ATOM 0 H GLN A 89 23.614 7.658 -0.836 1.00 0.00 H new ATOM 0 HA GLN A 89 22.780 10.103 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.036 7.224 1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.338 8.550 2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.544 8.779 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.252 7.485 -0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.790 5.442 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.400 4.913 2.283 1.00 0.00 H new ATOM 1389 N VAL A 90 25.709 8.819 0.688 1.00 0.00 N ATOM 1390 CA VAL A 90 27.055 8.961 1.230 1.00 0.00 C ATOM 1391 C VAL A 90 27.820 10.071 0.518 1.00 0.00 C ATOM 1392 O VAL A 90 28.659 10.742 1.118 1.00 0.00 O ATOM 1393 CB VAL A 90 27.850 7.647 1.110 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.254 7.818 1.669 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.119 6.516 1.819 1.00 0.00 C ATOM 0 H VAL A 90 25.655 8.265 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 90 26.946 9.217 2.284 1.00 0.00 H new ATOM 0 HB VAL A 90 27.935 7.389 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.800 6.879 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.775 8.598 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.195 8.100 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.694 5.595 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.001 6.764 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.137 6.378 1.367 1.00 0.00 H new ATOM 1405 N GLU A 91 27.524 10.258 -0.764 1.00 0.00 N ATOM 1406 CA GLU A 91 28.185 11.288 -1.557 1.00 0.00 C ATOM 1407 C GLU A 91 27.458 12.623 -1.430 1.00 0.00 C ATOM 1408 O GLU A 91 28.078 13.686 -1.460 1.00 0.00 O ATOM 1409 CB GLU A 91 28.250 10.868 -3.027 1.00 0.00 C ATOM 1410 CG GLU A 91 29.127 9.652 -3.275 1.00 0.00 C ATOM 1411 CD GLU A 91 29.669 9.602 -4.690 1.00 0.00 C ATOM 1412 OE1 GLU A 91 28.889 9.291 -5.614 1.00 0.00 O ATOM 1413 OE2 GLU A 91 30.875 9.874 -4.873 1.00 0.00 O ATOM 0 H GLU A 91 26.832 9.711 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 91 29.199 11.409 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.241 10.656 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.626 11.703 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.959 9.660 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.551 8.747 -3.078 1.00 0.00 H new ATOM 1420 N VAL A 92 26.138 12.560 -1.290 1.00 0.00 N ATOM 1421 CA VAL A 92 25.325 13.763 -1.158 1.00 0.00 C ATOM 1422 C VAL A 92 25.000 14.050 0.304 1.00 0.00 C ATOM 1423 O VAL A 92 25.463 15.040 0.871 1.00 0.00 O ATOM 1424 CB VAL A 92 24.009 13.641 -1.950 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.260 14.965 -1.948 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.285 13.177 -3.372 1.00 0.00 C ATOM 0 H VAL A 92 25.609 11.688 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 92 25.911 14.587 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 92 23.380 12.895 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.333 14.860 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.030 15.251 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 92 23.880 15.734 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.345 13.096 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 92 24.933 13.898 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 92 24.776 12.204 -3.348 1.00 0.00 H new ATOM 1436 N HIS A 93 24.203 13.176 0.910 1.00 0.00 N ATOM 1437 CA HIS A 93 23.817 13.334 2.308 1.00 0.00 C ATOM 1438 C HIS A 93 24.978 12.987 3.235 1.00 0.00 C ATOM 1439 O HIS A 93 25.042 13.459 4.369 1.00 0.00 O ATOM 1440 CB HIS A 93 22.611 12.451 2.629 1.00 0.00 C ATOM 1441 CG HIS A 93 21.376 12.824 1.869 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.442 13.721 2.345 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.924 12.419 0.660 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.468 13.849 1.461 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.737 13.069 0.429 1.00 0.00 N ATOM 0 H HIS A 93 23.812 12.351 0.455 1.00 0.00 H new ATOM 0 HA HIS A 93 23.547 14.378 2.469 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.863 11.413 2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.402 12.510 3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.407 11.715 -0.001 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.600 14.483 1.565 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.157 12.966 -0.404 1.00 0.00 H new ATOM 1453 N ASN A 94 25.894 12.158 2.743 1.00 0.00 N ATOM 1454 CA ASN A 94 27.052 11.747 3.528 1.00 0.00 C ATOM 1455 C ASN A 94 26.621 11.174 4.875 1.00 0.00 C ATOM 1456 O ASN A 94 27.083 11.618 5.925 1.00 0.00 O ATOM 1457 CB ASN A 94 27.995 12.932 3.744 1.00 0.00 C ATOM 1458 CG ASN A 94 29.184 12.574 4.614 1.00 0.00 C ATOM 1459 OD1 ASN A 94 29.579 11.411 4.697 1.00 0.00 O ATOM 1460 ND2 ASN A 94 29.761 13.575 5.269 1.00 0.00 N ATOM 0 H ASN A 94 25.856 11.758 1.805 1.00 0.00 H new ATOM 0 HA ASN A 94 27.577 10.969 2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 94 28.350 13.291 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 94 27.444 13.752 4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 94 30.565 13.395 5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 94 29.400 14.524 5.171 1.00 0.00 H new ATOM 1467 N GLN A 95 25.732 10.187 4.835 1.00 0.00 N ATOM 1468 CA GLN A 95 25.239 9.554 6.052 1.00 0.00 C ATOM 1469 C GLN A 95 26.119 8.372 6.446 1.00 0.00 C ATOM 1470 O GLN A 95 26.396 8.158 7.626 1.00 0.00 O ATOM 1471 CB GLN A 95 23.794 9.088 5.861 1.00 0.00 C ATOM 1472 CG GLN A 95 22.765 10.176 6.123 1.00 0.00 C ATOM 1473 CD GLN A 95 21.421 9.871 5.492 1.00 0.00 C ATOM 1474 OE1 GLN A 95 20.426 9.672 6.190 1.00 0.00 O ATOM 1475 NE2 GLN A 95 21.384 9.834 4.165 1.00 0.00 N ATOM 0 H GLN A 95 25.339 9.809 3.973 1.00 0.00 H new ATOM 0 HA GLN A 95 25.272 10.292 6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.671 8.721 4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.601 8.248 6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 95 22.638 10.299 7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 95 23.137 11.124 5.735 1.00 0.00 H new ATOM 0 HE21 GLN A 95 22.233 10.005 3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 95 20.507 9.635 3.685 1.00 0.00 H new ATOM 1484 N ASN A 96 26.554 7.606 5.451 1.00 0.00 N ATOM 1485 CA ASN A 96 27.401 6.445 5.693 1.00 0.00 C ATOM 1486 C ASN A 96 26.748 5.494 6.693 1.00 0.00 C ATOM 1487 O ASN A 96 27.420 4.921 7.549 1.00 0.00 O ATOM 1488 CB ASN A 96 28.771 6.886 6.212 1.00 0.00 C ATOM 1489 CG ASN A 96 29.648 5.712 6.600 1.00 0.00 C ATOM 1490 OD1 ASN A 96 29.781 5.384 7.780 1.00 0.00 O ATOM 1491 ND2 ASN A 96 30.254 5.072 5.606 1.00 0.00 N ATOM 0 H ASN A 96 26.333 7.769 4.469 1.00 0.00 H new ATOM 0 HA ASN A 96 27.530 5.918 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 96 29.275 7.474 5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 96 28.637 7.537 7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 96 30.858 4.275 5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 96 30.115 5.378 4.643 1.00 0.00 H new