USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 934 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 52 TYR OH : rot 138:sc= 0.306 USER MOD Set 1.2: A 65 GLN : amide:sc= -4.06! C(o=-3.8!,f=-6.1!) USER MOD Set 2.1: A 54 GLN : amide:sc= -4.98! C(o=-5.3!,f=-8.7!) USER MOD Set 2.2: A 88 TYR OH : rot 90:sc= -0.351 USER MOD Set 3.1: A 22 HIS : no HE2:sc= -0.768 K(o=-0.94,f=-3.9) USER MOD Set 3.2: A 37 THR OG1 : rot -105:sc= -0.168 USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0783 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 1.09 USER MOD Single : A 3 SER OG : rot 12:sc= 0.272 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 0.355 USER MOD Single : A 9 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.66) USER MOD Single : A 11 GLN : amide:sc= -0.0953 K(o=-0.095,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.0056 (180deg=-0.17) USER MOD Single : A 23 ASN : amide:sc= -0.0091 X(o=-0.0091,f=-0.3) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 41 GLN : amide:sc= -1.76! C(o=-1.8!,f=-3!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 46 GLN : amide:sc=-0.000518 X(o=-0.00052,f=-0.12) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0452 USER MOD Single : A 51 MET CE :methyl 180:sc=-0.00295 (180deg=-0.00295) USER MOD Single : A 55 THR OG1 : rot -110:sc= -0.418 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0537 K(o=-0.054,f=-0.61) USER MOD Single : A 61 THR OG1 : rot -52:sc= 0.506 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.256 USER MOD Single : A 66 ASN :FLIP amide:sc= 0.952 F(o=-0.051,f=0.95) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -2.42! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.493 K(o=-0.49,f=-2.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= -0.658 (180deg=-1.27) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -3.22 K(o=-3.2,f=-5.8!) USER MOD Single : A 100 GLN : amide:sc= -1.25! C(o=-1.3!,f=-6.9!) USER MOD Single : A 102 MET CE :methyl -168:sc= -0.0898 (180deg=-0.427) USER MOD Single : A 104 SER OG : rot 111:sc= 0.942 USER MOD Single : A 106 SER OG : rot 39:sc= 0.368 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0243 USER MOD Single : A 111 THR OG1 : rot -176:sc= 1.25 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 31:sc= 0.751 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.989 22.381 6.531 1.00 0.00 N ATOM 2 CA GLY A 1 -19.783 23.664 7.179 1.00 0.00 C ATOM 3 C GLY A 1 -18.456 23.739 7.906 1.00 0.00 C ATOM 4 O GLY A 1 -17.676 22.787 7.890 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.155 22.528 5.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.145 21.787 6.661 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.814 21.908 6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.830 24.457 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.592 23.844 7.887 1.00 0.00 H new ATOM 8 N SER A 2 -18.196 24.876 8.544 1.00 0.00 N ATOM 9 CA SER A 2 -16.951 25.075 9.276 1.00 0.00 C ATOM 10 C SER A 2 -17.109 24.670 10.738 1.00 0.00 C ATOM 11 O SER A 2 -17.357 25.510 11.603 1.00 0.00 O ATOM 12 CB SER A 2 -16.509 26.537 9.185 1.00 0.00 C ATOM 13 OG SER A 2 -17.450 27.394 9.806 1.00 0.00 O ATOM 0 H SER A 2 -18.831 25.673 8.569 1.00 0.00 H new ATOM 0 HA SER A 2 -16.187 24.443 8.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.535 26.656 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.390 26.820 8.139 1.00 0.00 H new ATOM 0 HG SER A 2 -17.722 27.012 10.667 1.00 0.00 H new ATOM 19 N SER A 3 -16.965 23.376 11.006 1.00 0.00 N ATOM 20 CA SER A 3 -17.095 22.858 12.363 1.00 0.00 C ATOM 21 C SER A 3 -16.224 21.620 12.558 1.00 0.00 C ATOM 22 O SER A 3 -16.228 20.708 11.732 1.00 0.00 O ATOM 23 CB SER A 3 -18.557 22.518 12.663 1.00 0.00 C ATOM 24 OG SER A 3 -19.312 23.692 12.910 1.00 0.00 O ATOM 0 H SER A 3 -16.758 22.668 10.302 1.00 0.00 H new ATOM 0 HA SER A 3 -16.759 23.631 13.054 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.988 21.975 11.822 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.610 21.858 13.529 1.00 0.00 H new ATOM 0 HG SER A 3 -18.788 24.478 12.650 1.00 0.00 H new ATOM 30 N GLY A 4 -15.477 21.597 13.658 1.00 0.00 N ATOM 31 CA GLY A 4 -14.611 20.469 13.943 1.00 0.00 C ATOM 32 C GLY A 4 -15.353 19.147 13.921 1.00 0.00 C ATOM 33 O GLY A 4 -15.286 18.406 12.940 1.00 0.00 O ATOM 0 H GLY A 4 -15.457 22.340 14.357 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.804 20.441 13.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.150 20.607 14.921 1.00 0.00 H new ATOM 37 N SER A 5 -16.063 18.851 15.005 1.00 0.00 N ATOM 38 CA SER A 5 -16.817 17.607 15.108 1.00 0.00 C ATOM 39 C SER A 5 -18.056 17.647 14.219 1.00 0.00 C ATOM 40 O SER A 5 -19.146 17.996 14.670 1.00 0.00 O ATOM 41 CB SER A 5 -17.226 17.353 16.560 1.00 0.00 C ATOM 42 OG SER A 5 -16.164 16.766 17.294 1.00 0.00 O ATOM 0 H SER A 5 -16.132 19.455 15.824 1.00 0.00 H new ATOM 0 HA SER A 5 -16.175 16.793 14.771 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.520 18.293 17.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.097 16.698 16.587 1.00 0.00 H new ATOM 0 HG SER A 5 -16.450 16.615 18.219 1.00 0.00 H new ATOM 48 N SER A 6 -17.879 17.287 12.951 1.00 0.00 N ATOM 49 CA SER A 6 -18.980 17.285 11.996 1.00 0.00 C ATOM 50 C SER A 6 -19.016 15.978 11.210 1.00 0.00 C ATOM 51 O SER A 6 -18.029 15.587 10.589 1.00 0.00 O ATOM 52 CB SER A 6 -18.852 18.468 11.035 1.00 0.00 C ATOM 53 OG SER A 6 -17.727 18.316 10.186 1.00 0.00 O ATOM 0 H SER A 6 -16.983 16.993 12.562 1.00 0.00 H new ATOM 0 HA SER A 6 -19.912 17.379 12.554 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.757 18.551 10.433 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.760 19.394 11.603 1.00 0.00 H new ATOM 0 HG SER A 6 -17.439 17.379 10.189 1.00 0.00 H new ATOM 59 N GLY A 7 -20.163 15.306 11.243 1.00 0.00 N ATOM 60 CA GLY A 7 -20.307 14.050 10.531 1.00 0.00 C ATOM 61 C GLY A 7 -21.627 13.950 9.792 1.00 0.00 C ATOM 62 O GLY A 7 -22.371 12.985 9.964 1.00 0.00 O ATOM 0 H GLY A 7 -20.995 15.609 11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.487 13.943 9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.226 13.224 11.238 1.00 0.00 H new ATOM 66 N ARG A 8 -21.918 14.952 8.968 1.00 0.00 N ATOM 67 CA ARG A 8 -23.159 14.974 8.203 1.00 0.00 C ATOM 68 C ARG A 8 -22.918 14.531 6.763 1.00 0.00 C ATOM 69 O ARG A 8 -23.612 13.655 6.249 1.00 0.00 O ATOM 70 CB ARG A 8 -23.768 16.378 8.220 1.00 0.00 C ATOM 71 CG ARG A 8 -24.228 16.825 9.598 1.00 0.00 C ATOM 72 CD ARG A 8 -23.062 17.312 10.443 1.00 0.00 C ATOM 73 NE ARG A 8 -23.492 17.751 11.768 1.00 0.00 N ATOM 74 CZ ARG A 8 -23.849 16.917 12.739 1.00 0.00 C ATOM 75 NH1 ARG A 8 -23.827 15.607 12.533 1.00 0.00 N ATOM 76 NH2 ARG A 8 -24.229 17.392 13.918 1.00 0.00 N ATOM 0 H ARG A 8 -21.312 15.758 8.813 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.856 14.277 8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.032 17.089 7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.616 16.405 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.963 17.623 9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.724 15.997 10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -22.330 16.511 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -22.563 18.136 9.932 1.00 0.00 H new ATOM 0 HE ARG A 8 -23.520 18.753 11.958 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -23.536 15.238 11.628 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -24.101 14.969 13.280 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -24.247 18.399 14.080 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -24.503 16.750 14.662 1.00 0.00 H new ATOM 90 N GLN A 9 -21.929 15.142 6.119 1.00 0.00 N ATOM 91 CA GLN A 9 -21.597 14.811 4.738 1.00 0.00 C ATOM 92 C GLN A 9 -20.719 13.566 4.673 1.00 0.00 C ATOM 93 O GLN A 9 -20.113 13.274 3.642 1.00 0.00 O ATOM 94 CB GLN A 9 -20.886 15.987 4.066 1.00 0.00 C ATOM 95 CG GLN A 9 -20.871 15.902 2.548 1.00 0.00 C ATOM 96 CD GLN A 9 -20.052 17.006 1.910 1.00 0.00 C ATOM 97 OE1 GLN A 9 -20.396 18.185 2.005 1.00 0.00 O ATOM 98 NE2 GLN A 9 -18.961 16.630 1.253 1.00 0.00 N ATOM 0 H GLN A 9 -21.344 15.869 6.531 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.526 14.606 4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.374 16.915 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.859 16.036 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.468 14.935 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.894 15.952 2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.713 15.642 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.371 17.329 0.802 1.00 0.00 H new ATOM 107 N VAL A 10 -20.654 12.835 5.781 1.00 0.00 N ATOM 108 CA VAL A 10 -19.851 11.620 5.850 1.00 0.00 C ATOM 109 C VAL A 10 -20.418 10.534 4.944 1.00 0.00 C ATOM 110 O VAL A 10 -19.678 9.861 4.227 1.00 0.00 O ATOM 111 CB VAL A 10 -19.770 11.081 7.290 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.144 10.649 7.777 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.779 9.930 7.373 1.00 0.00 C ATOM 0 H VAL A 10 -21.148 13.063 6.644 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.849 11.884 5.512 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.417 11.882 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.066 10.271 8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.822 11.502 7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.530 9.864 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.734 9.561 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.100 9.125 6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.792 10.277 7.069 1.00 0.00 H new ATOM 123 N GLN A 11 -21.737 10.369 4.981 1.00 0.00 N ATOM 124 CA GLN A 11 -22.404 9.363 4.163 1.00 0.00 C ATOM 125 C GLN A 11 -22.340 9.734 2.685 1.00 0.00 C ATOM 126 O GLN A 11 -22.639 8.916 1.815 1.00 0.00 O ATOM 127 CB GLN A 11 -23.861 9.205 4.598 1.00 0.00 C ATOM 128 CG GLN A 11 -24.064 8.152 5.676 1.00 0.00 C ATOM 129 CD GLN A 11 -25.314 8.392 6.499 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.681 9.535 6.774 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.977 7.313 6.897 1.00 0.00 N ATOM 0 H GLN A 11 -22.364 10.919 5.568 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.886 8.415 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.228 10.164 4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.465 8.944 3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -24.123 7.168 5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.196 8.141 6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -25.637 6.384 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.826 7.413 7.453 1.00 0.00 H new ATOM 140 N LYS A 12 -21.947 10.973 2.407 1.00 0.00 N ATOM 141 CA LYS A 12 -21.843 11.453 1.034 1.00 0.00 C ATOM 142 C LYS A 12 -20.407 11.348 0.529 1.00 0.00 C ATOM 143 O LYS A 12 -20.148 10.737 -0.506 1.00 0.00 O ATOM 144 CB LYS A 12 -22.323 12.903 0.942 1.00 0.00 C ATOM 145 CG LYS A 12 -22.574 13.371 -0.481 1.00 0.00 C ATOM 146 CD LYS A 12 -21.324 13.977 -1.098 1.00 0.00 C ATOM 147 CE LYS A 12 -21.251 15.476 -0.850 1.00 0.00 C ATOM 148 NZ LYS A 12 -22.253 16.222 -1.661 1.00 0.00 N ATOM 0 H LYS A 12 -21.695 11.663 3.115 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.477 10.826 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.242 13.010 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.580 13.553 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.909 12.530 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -23.377 14.108 -0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -20.440 13.495 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.316 13.784 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.418 15.678 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.250 15.835 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.994 17.229 -1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.272 15.839 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.194 16.120 -1.230 1.00 0.00 H new ATOM 162 N GLU A 13 -19.479 11.948 1.269 1.00 0.00 N ATOM 163 CA GLU A 13 -18.070 11.921 0.894 1.00 0.00 C ATOM 164 C GLU A 13 -17.521 10.498 0.945 1.00 0.00 C ATOM 165 O GLU A 13 -16.722 10.098 0.097 1.00 0.00 O ATOM 166 CB GLU A 13 -17.256 12.827 1.821 1.00 0.00 C ATOM 167 CG GLU A 13 -15.772 12.503 1.838 1.00 0.00 C ATOM 168 CD GLU A 13 -15.076 12.883 0.546 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.325 12.217 -0.481 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.283 13.848 0.561 1.00 0.00 O ATOM 0 H GLU A 13 -19.677 12.458 2.130 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.985 12.288 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.390 13.864 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.649 12.744 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.299 13.027 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.639 11.436 2.017 1.00 0.00 H new ATOM 177 N LEU A 14 -17.955 9.738 1.945 1.00 0.00 N ATOM 178 CA LEU A 14 -17.508 8.359 2.108 1.00 0.00 C ATOM 179 C LEU A 14 -17.475 7.635 0.765 1.00 0.00 C ATOM 180 O LEU A 14 -16.478 7.006 0.412 1.00 0.00 O ATOM 181 CB LEU A 14 -18.426 7.616 3.079 1.00 0.00 C ATOM 182 CG LEU A 14 -18.262 6.096 3.128 1.00 0.00 C ATOM 183 CD1 LEU A 14 -17.174 5.709 4.118 1.00 0.00 C ATOM 184 CD2 LEU A 14 -19.580 5.429 3.492 1.00 0.00 C ATOM 0 H LEU A 14 -18.616 10.054 2.655 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.497 8.376 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.259 8.012 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.459 7.842 2.815 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.964 5.749 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -17.071 4.624 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.228 6.157 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.442 6.068 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.445 4.348 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.908 5.781 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.333 5.680 2.745 1.00 0.00 H new ATOM 196 N GLY A 15 -18.571 7.732 0.020 1.00 0.00 N ATOM 197 CA GLY A 15 -18.646 7.083 -1.276 1.00 0.00 C ATOM 198 C GLY A 15 -18.272 8.013 -2.413 1.00 0.00 C ATOM 199 O GLY A 15 -18.290 7.618 -3.579 1.00 0.00 O ATOM 0 H GLY A 15 -19.408 8.248 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.982 6.218 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.658 6.710 -1.434 1.00 0.00 H new ATOM 203 N ASP A 16 -17.933 9.252 -2.074 1.00 0.00 N ATOM 204 CA ASP A 16 -17.553 10.242 -3.075 1.00 0.00 C ATOM 205 C ASP A 16 -16.055 10.182 -3.357 1.00 0.00 C ATOM 206 O ASP A 16 -15.635 10.006 -4.501 1.00 0.00 O ATOM 207 CB ASP A 16 -17.941 11.646 -2.608 1.00 0.00 C ATOM 208 CG ASP A 16 -18.053 12.628 -3.758 1.00 0.00 C ATOM 209 OD1 ASP A 16 -17.305 12.473 -4.745 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.889 13.552 -3.670 1.00 0.00 O ATOM 0 H ASP A 16 -17.914 9.595 -1.113 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.088 10.014 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.893 11.600 -2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.199 12.007 -1.896 1.00 0.00 H new ATOM 215 N VAL A 17 -15.254 10.332 -2.307 1.00 0.00 N ATOM 216 CA VAL A 17 -13.803 10.295 -2.441 1.00 0.00 C ATOM 217 C VAL A 17 -13.358 9.094 -3.268 1.00 0.00 C ATOM 218 O VAL A 17 -13.927 8.007 -3.161 1.00 0.00 O ATOM 219 CB VAL A 17 -13.113 10.241 -1.065 1.00 0.00 C ATOM 220 CG1 VAL A 17 -13.506 8.975 -0.320 1.00 0.00 C ATOM 221 CG2 VAL A 17 -11.602 10.329 -1.223 1.00 0.00 C ATOM 0 H VAL A 17 -15.586 10.480 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.509 11.213 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.445 11.097 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.009 8.954 0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.586 8.959 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.205 8.103 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.131 10.289 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.250 9.494 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.341 11.267 -1.713 1.00 0.00 H new ATOM 231 N LEU A 18 -12.336 9.297 -4.093 1.00 0.00 N ATOM 232 CA LEU A 18 -11.813 8.230 -4.940 1.00 0.00 C ATOM 233 C LEU A 18 -10.412 7.820 -4.496 1.00 0.00 C ATOM 234 O LEU A 18 -9.427 8.483 -4.823 1.00 0.00 O ATOM 235 CB LEU A 18 -11.786 8.679 -6.402 1.00 0.00 C ATOM 236 CG LEU A 18 -11.812 7.563 -7.447 1.00 0.00 C ATOM 237 CD1 LEU A 18 -12.333 8.089 -8.776 1.00 0.00 C ATOM 238 CD2 LEU A 18 -10.426 6.959 -7.616 1.00 0.00 C ATOM 0 H LEU A 18 -11.853 10.190 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.472 7.367 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.641 9.333 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.889 9.278 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.487 6.781 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.345 7.281 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.344 8.473 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.684 8.890 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.463 6.166 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.729 7.732 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.091 6.545 -6.665 1.00 0.00 H new ATOM 250 N VAL A 19 -10.331 6.723 -3.750 1.00 0.00 N ATOM 251 CA VAL A 19 -9.050 6.222 -3.264 1.00 0.00 C ATOM 252 C VAL A 19 -8.359 5.365 -4.319 1.00 0.00 C ATOM 253 O VAL A 19 -8.792 4.250 -4.609 1.00 0.00 O ATOM 254 CB VAL A 19 -9.224 5.393 -1.978 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.879 4.874 -1.492 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.907 6.220 -0.899 1.00 0.00 C ATOM 0 H VAL A 19 -11.137 6.164 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.431 7.092 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.859 4.535 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.021 4.290 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.433 4.244 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.218 5.715 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.022 5.618 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.301 7.098 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.889 6.537 -1.251 1.00 0.00 H new ATOM 266 N ARG A 20 -7.282 5.894 -4.890 1.00 0.00 N ATOM 267 CA ARG A 20 -6.530 5.178 -5.913 1.00 0.00 C ATOM 268 C ARG A 20 -5.403 4.361 -5.288 1.00 0.00 C ATOM 269 O ARG A 20 -4.407 4.914 -4.820 1.00 0.00 O ATOM 270 CB ARG A 20 -5.956 6.161 -6.936 1.00 0.00 C ATOM 271 CG ARG A 20 -7.016 6.973 -7.661 1.00 0.00 C ATOM 272 CD ARG A 20 -6.434 8.247 -8.253 1.00 0.00 C ATOM 273 NE ARG A 20 -7.367 8.904 -9.164 1.00 0.00 N ATOM 274 CZ ARG A 20 -7.507 8.567 -10.442 1.00 0.00 C ATOM 275 NH1 ARG A 20 -6.778 7.586 -10.955 1.00 0.00 N ATOM 276 NH2 ARG A 20 -8.377 9.212 -11.208 1.00 0.00 N ATOM 0 H ARG A 20 -6.911 6.816 -4.661 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.213 4.495 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.272 6.842 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.369 5.608 -7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.458 6.370 -8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.819 7.226 -6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.170 8.933 -7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.513 8.011 -8.786 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.943 9.663 -8.800 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.108 7.088 -10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.887 7.329 -11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.939 9.967 -10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.484 8.953 -12.189 1.00 0.00 H new ATOM 290 N LEU A 21 -5.567 3.043 -5.284 1.00 0.00 N ATOM 291 CA LEU A 21 -4.563 2.149 -4.716 1.00 0.00 C ATOM 292 C LEU A 21 -3.502 1.794 -5.753 1.00 0.00 C ATOM 293 O LEU A 21 -3.764 1.042 -6.692 1.00 0.00 O ATOM 294 CB LEU A 21 -5.226 0.875 -4.190 1.00 0.00 C ATOM 295 CG LEU A 21 -4.334 -0.056 -3.368 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.775 0.674 -2.156 1.00 0.00 C ATOM 297 CD2 LEU A 21 -5.107 -1.293 -2.938 1.00 0.00 C ATOM 0 H LEU A 21 -6.385 2.569 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.077 2.666 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.081 1.161 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.616 0.315 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.499 -0.373 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.143 -0.004 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.185 1.529 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.597 1.021 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.456 -1.944 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.962 -0.995 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.458 -1.828 -3.821 1.00 0.00 H new ATOM 309 N HIS A 22 -2.302 2.338 -5.574 1.00 0.00 N ATOM 310 CA HIS A 22 -1.200 2.075 -6.493 1.00 0.00 C ATOM 311 C HIS A 22 -0.596 0.697 -6.238 1.00 0.00 C ATOM 312 O HIS A 22 -0.648 0.184 -5.121 1.00 0.00 O ATOM 313 CB HIS A 22 -0.122 3.151 -6.350 1.00 0.00 C ATOM 314 CG HIS A 22 -0.635 4.543 -6.554 1.00 0.00 C ATOM 315 ND1 HIS A 22 -0.135 5.396 -7.516 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.611 5.230 -5.916 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.780 6.547 -7.458 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.681 6.473 -6.496 1.00 0.00 N ATOM 0 H HIS A 22 -2.068 2.963 -4.802 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.594 2.097 -7.509 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.323 3.078 -5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.672 2.956 -7.071 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.615 5.173 -8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.221 4.868 -5.102 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.601 7.404 -8.091 1.00 0.00 H new ATOM 327 N ASN A 23 -0.025 0.105 -7.281 1.00 0.00 N ATOM 328 CA ASN A 23 0.587 -1.215 -7.170 1.00 0.00 C ATOM 329 C ASN A 23 1.452 -1.309 -5.918 1.00 0.00 C ATOM 330 O ASN A 23 2.348 -0.495 -5.689 1.00 0.00 O ATOM 331 CB ASN A 23 1.430 -1.514 -8.411 1.00 0.00 C ATOM 332 CG ASN A 23 2.117 -2.864 -8.331 1.00 0.00 C ATOM 333 OD1 ASN A 23 1.479 -3.907 -8.474 1.00 0.00 O ATOM 334 ND2 ASN A 23 3.425 -2.850 -8.102 1.00 0.00 N ATOM 0 H ASN A 23 0.027 0.517 -8.212 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.211 -1.954 -7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.793 -1.485 -9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.181 -0.734 -8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.941 -3.728 -8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.914 -1.962 -7.990 1.00 0.00 H new ATOM 341 N PRO A 24 1.181 -2.326 -5.086 1.00 0.00 N ATOM 342 CA PRO A 24 1.925 -2.552 -3.844 1.00 0.00 C ATOM 343 C PRO A 24 3.356 -3.014 -4.100 1.00 0.00 C ATOM 344 O PRO A 24 3.619 -4.210 -4.228 1.00 0.00 O ATOM 345 CB PRO A 24 1.124 -3.655 -3.147 1.00 0.00 C ATOM 346 CG PRO A 24 0.427 -4.373 -4.251 1.00 0.00 C ATOM 347 CD PRO A 24 0.128 -3.334 -5.296 1.00 0.00 C ATOM 0 HA PRO A 24 2.022 -1.639 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.777 -4.326 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.412 -3.237 -2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.054 -5.166 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.490 -4.842 -3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.167 -3.753 -6.302 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.867 -2.909 -5.166 1.00 0.00 H new ATOM 355 N VAL A 25 4.277 -2.059 -4.174 1.00 0.00 N ATOM 356 CA VAL A 25 5.681 -2.368 -4.413 1.00 0.00 C ATOM 357 C VAL A 25 6.188 -3.420 -3.432 1.00 0.00 C ATOM 358 O VAL A 25 6.423 -3.128 -2.259 1.00 0.00 O ATOM 359 CB VAL A 25 6.561 -1.109 -4.298 1.00 0.00 C ATOM 360 CG1 VAL A 25 8.021 -1.452 -4.552 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.082 -0.035 -5.263 1.00 0.00 C ATOM 0 H VAL A 25 4.076 -1.064 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 25 5.750 -2.759 -5.428 1.00 0.00 H new ATOM 0 HB VAL A 25 6.476 -0.719 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.627 -0.550 -4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.356 -2.185 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.128 -1.867 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.715 0.847 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.136 -0.413 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.051 0.231 -5.029 1.00 0.00 H new ATOM 371 N VAL A 26 6.354 -4.645 -3.920 1.00 0.00 N ATOM 372 CA VAL A 26 6.834 -5.741 -3.087 1.00 0.00 C ATOM 373 C VAL A 26 8.314 -5.576 -2.760 1.00 0.00 C ATOM 374 O VAL A 26 9.179 -5.842 -3.596 1.00 0.00 O ATOM 375 CB VAL A 26 6.620 -7.103 -3.773 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.030 -7.035 -5.236 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.392 -8.193 -3.044 1.00 0.00 C ATOM 0 H VAL A 26 6.163 -4.903 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 26 6.256 -5.713 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 26 5.559 -7.350 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.872 -8.007 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.429 -6.284 -5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.084 -6.766 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.230 -9.149 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.456 -7.955 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.045 -8.257 -2.013 1.00 0.00 H new ATOM 387 N LEU A 27 8.600 -5.135 -1.540 1.00 0.00 N ATOM 388 CA LEU A 27 9.977 -4.935 -1.102 1.00 0.00 C ATOM 389 C LEU A 27 10.649 -6.268 -0.791 1.00 0.00 C ATOM 390 O LEU A 27 11.734 -6.561 -1.293 1.00 0.00 O ATOM 391 CB LEU A 27 10.013 -4.032 0.133 1.00 0.00 C ATOM 392 CG LEU A 27 9.371 -2.653 -0.025 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.260 -1.958 1.323 1.00 0.00 C ATOM 394 CD2 LEU A 27 10.169 -1.802 -1.002 1.00 0.00 C ATOM 0 H LEU A 27 7.897 -4.909 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 27 10.524 -4.454 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.515 -4.551 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.053 -3.895 0.428 1.00 0.00 H new ATOM 0 HG LEU A 27 8.366 -2.785 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.801 -0.978 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.645 -2.559 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.254 -1.838 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.698 -0.824 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.186 -1.678 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.196 -2.293 -1.975 1.00 0.00 H new ATOM 406 N THR A 28 9.996 -7.075 0.040 1.00 0.00 N ATOM 407 CA THR A 28 10.529 -8.378 0.418 1.00 0.00 C ATOM 408 C THR A 28 9.438 -9.442 0.409 1.00 0.00 C ATOM 409 O THR A 28 8.245 -9.143 0.466 1.00 0.00 O ATOM 410 CB THR A 28 11.178 -8.336 1.814 1.00 0.00 C ATOM 411 OG1 THR A 28 10.520 -7.362 2.631 1.00 0.00 O ATOM 412 CG2 THR A 28 12.659 -8.002 1.712 1.00 0.00 C ATOM 0 H THR A 28 9.096 -6.849 0.464 1.00 0.00 H new ATOM 0 HA THR A 28 11.289 -8.635 -0.320 1.00 0.00 H new ATOM 0 HB THR A 28 11.074 -9.321 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.937 -7.343 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.096 -7.978 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.163 -8.761 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.780 -7.027 1.239 1.00 0.00 H new ATOM 420 N PRO A 29 9.853 -10.715 0.338 1.00 0.00 N ATOM 421 CA PRO A 29 8.925 -11.850 0.321 1.00 0.00 C ATOM 422 C PRO A 29 8.229 -12.050 1.664 1.00 0.00 C ATOM 423 O PRO A 29 7.443 -12.982 1.835 1.00 0.00 O ATOM 424 CB PRO A 29 9.830 -13.044 0.006 1.00 0.00 C ATOM 425 CG PRO A 29 11.180 -12.632 0.482 1.00 0.00 C ATOM 426 CD PRO A 29 11.259 -11.145 0.267 1.00 0.00 C ATOM 0 HA PRO A 29 8.119 -11.706 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.488 -13.945 0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.837 -13.265 -1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.316 -12.882 1.534 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.964 -13.149 -0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.867 -10.660 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.705 -10.902 -0.697 1.00 0.00 H new ATOM 434 N THR A 30 8.523 -11.168 2.614 1.00 0.00 N ATOM 435 CA THR A 30 7.927 -11.248 3.942 1.00 0.00 C ATOM 436 C THR A 30 7.219 -9.947 4.305 1.00 0.00 C ATOM 437 O THR A 30 6.370 -9.918 5.196 1.00 0.00 O ATOM 438 CB THR A 30 8.986 -11.560 5.016 1.00 0.00 C ATOM 439 OG1 THR A 30 10.069 -10.628 4.921 1.00 0.00 O ATOM 440 CG2 THR A 30 9.515 -12.977 4.859 1.00 0.00 C ATOM 0 H THR A 30 9.170 -10.390 2.488 1.00 0.00 H new ATOM 0 HA THR A 30 7.200 -12.059 3.914 1.00 0.00 H new ATOM 0 HB THR A 30 8.515 -11.471 5.995 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.737 -10.832 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.261 -13.174 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.693 -13.686 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.970 -13.088 3.875 1.00 0.00 H new ATOM 448 N THR A 31 7.572 -8.872 3.608 1.00 0.00 N ATOM 449 CA THR A 31 6.971 -7.568 3.858 1.00 0.00 C ATOM 450 C THR A 31 6.754 -6.804 2.557 1.00 0.00 C ATOM 451 O THR A 31 7.615 -6.800 1.677 1.00 0.00 O ATOM 452 CB THR A 31 7.844 -6.718 4.800 1.00 0.00 C ATOM 453 OG1 THR A 31 8.231 -7.492 5.941 1.00 0.00 O ATOM 454 CG2 THR A 31 7.096 -5.474 5.256 1.00 0.00 C ATOM 0 H THR A 31 8.271 -8.879 2.866 1.00 0.00 H new ATOM 0 HA THR A 31 6.008 -7.750 4.334 1.00 0.00 H new ATOM 0 HB THR A 31 8.734 -6.408 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.787 -6.945 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.733 -4.890 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.828 -4.872 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.191 -5.768 5.787 1.00 0.00 H new ATOM 462 N VAL A 32 5.599 -6.156 2.441 1.00 0.00 N ATOM 463 CA VAL A 32 5.271 -5.387 1.247 1.00 0.00 C ATOM 464 C VAL A 32 4.805 -3.981 1.611 1.00 0.00 C ATOM 465 O VAL A 32 4.090 -3.789 2.594 1.00 0.00 O ATOM 466 CB VAL A 32 4.175 -6.080 0.417 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.785 -5.221 -0.777 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.640 -7.456 -0.035 1.00 0.00 C ATOM 0 H VAL A 32 4.875 -6.149 3.160 1.00 0.00 H new ATOM 0 HA VAL A 32 6.181 -5.323 0.651 1.00 0.00 H new ATOM 0 HB VAL A 32 3.294 -6.207 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.009 -5.727 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.408 -4.260 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.658 -5.059 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.853 -7.932 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.536 -7.354 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.864 -8.069 0.838 1.00 0.00 H new ATOM 478 N GLN A 33 5.215 -3.002 0.810 1.00 0.00 N ATOM 479 CA GLN A 33 4.839 -1.614 1.048 1.00 0.00 C ATOM 480 C GLN A 33 3.576 -1.251 0.274 1.00 0.00 C ATOM 481 O GLN A 33 3.464 -1.533 -0.919 1.00 0.00 O ATOM 482 CB GLN A 33 5.982 -0.679 0.649 1.00 0.00 C ATOM 483 CG GLN A 33 5.799 0.749 1.138 1.00 0.00 C ATOM 484 CD GLN A 33 6.672 1.738 0.391 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.670 1.362 -0.224 1.00 0.00 O ATOM 486 NE2 GLN A 33 6.300 3.012 0.441 1.00 0.00 N ATOM 0 H GLN A 33 5.807 -3.145 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 33 4.637 -1.496 2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.918 -1.073 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.073 -0.673 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.753 1.036 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.031 0.797 2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.465 3.279 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.849 3.723 -0.042 1.00 0.00 H new ATOM 495 N VAL A 34 2.626 -0.625 0.962 1.00 0.00 N ATOM 496 CA VAL A 34 1.371 -0.223 0.339 1.00 0.00 C ATOM 497 C VAL A 34 1.284 1.293 0.206 1.00 0.00 C ATOM 498 O VAL A 34 1.832 2.033 1.024 1.00 0.00 O ATOM 499 CB VAL A 34 0.158 -0.727 1.144 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.140 -0.330 0.458 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.233 -2.235 1.331 1.00 0.00 C ATOM 0 H VAL A 34 2.702 -0.386 1.951 1.00 0.00 H new ATOM 0 HA VAL A 34 1.352 -0.673 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 34 0.177 -0.260 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.986 -0.695 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.193 0.756 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.172 -0.767 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.631 -2.574 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.238 -2.723 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.146 -2.490 1.869 1.00 0.00 H new ATOM 511 N THR A 35 0.590 1.752 -0.831 1.00 0.00 N ATOM 512 CA THR A 35 0.431 3.181 -1.073 1.00 0.00 C ATOM 513 C THR A 35 -0.870 3.472 -1.813 1.00 0.00 C ATOM 514 O THR A 35 -1.312 2.679 -2.644 1.00 0.00 O ATOM 515 CB THR A 35 1.609 3.747 -1.887 1.00 0.00 C ATOM 516 OG1 THR A 35 2.851 3.326 -1.310 1.00 0.00 O ATOM 517 CG2 THR A 35 1.556 5.267 -1.931 1.00 0.00 C ATOM 0 H THR A 35 0.129 1.154 -1.517 1.00 0.00 H new ATOM 0 HA THR A 35 0.407 3.666 -0.097 1.00 0.00 H new ATOM 0 HB THR A 35 1.533 3.366 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.595 3.689 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.398 5.644 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.623 5.585 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.609 5.662 -0.917 1.00 0.00 H new ATOM 525 N TRP A 36 -1.476 4.613 -1.506 1.00 0.00 N ATOM 526 CA TRP A 36 -2.727 5.009 -2.144 1.00 0.00 C ATOM 527 C TRP A 36 -2.888 6.525 -2.132 1.00 0.00 C ATOM 528 O TRP A 36 -2.235 7.223 -1.355 1.00 0.00 O ATOM 529 CB TRP A 36 -3.914 4.352 -1.437 1.00 0.00 C ATOM 530 CG TRP A 36 -4.117 4.843 -0.036 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.884 5.902 0.359 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.542 4.295 1.156 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.821 6.045 1.724 1.00 0.00 N ATOM 534 CE2 TRP A 36 -4.005 5.071 2.236 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.684 3.223 1.415 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.636 4.809 3.553 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.318 2.964 2.723 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.795 3.753 3.778 1.00 0.00 C ATOM 0 H TRP A 36 -1.122 5.280 -0.820 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.699 4.674 -3.181 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.820 4.538 -2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.764 3.273 -1.418 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.456 6.534 -0.304 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.304 6.760 2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.313 2.608 0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.000 5.417 4.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.653 2.140 2.935 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.493 3.523 4.789 1.00 0.00 H new ATOM 549 N THR A 37 -3.761 7.030 -2.998 1.00 0.00 N ATOM 550 CA THR A 37 -4.007 8.464 -3.087 1.00 0.00 C ATOM 551 C THR A 37 -5.501 8.767 -3.070 1.00 0.00 C ATOM 552 O THR A 37 -6.324 7.904 -3.375 1.00 0.00 O ATOM 553 CB THR A 37 -3.388 9.061 -4.364 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.895 8.383 -5.519 1.00 0.00 O ATOM 555 CG2 THR A 37 -1.871 8.952 -4.332 1.00 0.00 C ATOM 0 H THR A 37 -4.310 6.467 -3.648 1.00 0.00 H new ATOM 0 HA THR A 37 -3.537 8.921 -2.216 1.00 0.00 H new ATOM 0 HB THR A 37 -3.660 10.115 -4.414 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.209 7.777 -5.870 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.456 9.380 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.485 9.494 -3.469 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.583 7.903 -4.260 1.00 0.00 H new ATOM 563 N VAL A 38 -5.846 10.000 -2.713 1.00 0.00 N ATOM 564 CA VAL A 38 -7.241 10.419 -2.658 1.00 0.00 C ATOM 565 C VAL A 38 -7.426 11.798 -3.281 1.00 0.00 C ATOM 566 O VAL A 38 -6.766 12.761 -2.889 1.00 0.00 O ATOM 567 CB VAL A 38 -7.762 10.447 -1.209 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.621 9.077 -0.564 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.028 11.505 -0.400 1.00 0.00 C ATOM 0 H VAL A 38 -5.178 10.727 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.814 9.687 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.821 10.706 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.994 9.116 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.197 8.346 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.571 8.785 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.409 11.511 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.962 11.279 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.187 12.484 -0.852 1.00 0.00 H new ATOM 579 N ASP A 39 -8.328 11.887 -4.252 1.00 0.00 N ATOM 580 CA ASP A 39 -8.602 13.150 -4.928 1.00 0.00 C ATOM 581 C ASP A 39 -9.137 14.187 -3.946 1.00 0.00 C ATOM 582 O ASP A 39 -8.740 15.352 -3.981 1.00 0.00 O ATOM 583 CB ASP A 39 -9.605 12.938 -6.063 1.00 0.00 C ATOM 584 CG ASP A 39 -8.943 12.460 -7.340 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.506 11.291 -7.379 1.00 0.00 O ATOM 586 OD2 ASP A 39 -8.861 13.254 -8.300 1.00 0.00 O ATOM 0 H ASP A 39 -8.882 11.100 -4.589 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.666 13.521 -5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.354 12.210 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.131 13.872 -6.258 1.00 0.00 H new ATOM 591 N ARG A 40 -10.041 13.757 -3.072 1.00 0.00 N ATOM 592 CA ARG A 40 -10.632 14.649 -2.082 1.00 0.00 C ATOM 593 C ARG A 40 -10.521 14.056 -0.681 1.00 0.00 C ATOM 594 O ARG A 40 -11.457 13.428 -0.186 1.00 0.00 O ATOM 595 CB ARG A 40 -12.100 14.917 -2.419 1.00 0.00 C ATOM 596 CG ARG A 40 -12.954 13.661 -2.464 1.00 0.00 C ATOM 597 CD ARG A 40 -14.181 13.853 -3.341 1.00 0.00 C ATOM 598 NE ARG A 40 -15.162 14.742 -2.725 1.00 0.00 N ATOM 599 CZ ARG A 40 -16.033 15.468 -3.416 1.00 0.00 C ATOM 600 NH1 ARG A 40 -16.044 15.411 -4.741 1.00 0.00 N ATOM 601 NH2 ARG A 40 -16.895 16.254 -2.783 1.00 0.00 N ATOM 0 H ARG A 40 -10.380 12.796 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.083 15.590 -2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.515 15.602 -1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.156 15.419 -3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.360 12.830 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.265 13.395 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.877 14.261 -4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.642 12.885 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.179 14.809 -1.707 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.383 14.809 -5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.714 15.969 -5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.889 16.301 -1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.563 16.811 -3.315 1.00 0.00 H new ATOM 615 N GLN A 41 -9.370 14.259 -0.047 1.00 0.00 N ATOM 616 CA GLN A 41 -9.137 13.744 1.296 1.00 0.00 C ATOM 617 C GLN A 41 -10.249 14.176 2.246 1.00 0.00 C ATOM 618 O GLN A 41 -10.478 15.364 2.473 1.00 0.00 O ATOM 619 CB GLN A 41 -7.784 14.227 1.823 1.00 0.00 C ATOM 620 CG GLN A 41 -7.549 13.898 3.288 1.00 0.00 C ATOM 621 CD GLN A 41 -6.334 14.603 3.857 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.699 15.414 3.182 1.00 0.00 O ATOM 623 NE2 GLN A 41 -6.002 14.297 5.106 1.00 0.00 N ATOM 0 H GLN A 41 -8.585 14.776 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.131 12.655 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.990 13.778 1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.714 15.306 1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.430 14.178 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.424 12.821 3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.556 13.619 5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.193 14.740 5.542 1.00 0.00 H new ATOM 632 N PRO A 42 -10.958 13.190 2.815 1.00 0.00 N ATOM 633 CA PRO A 42 -12.059 13.444 3.750 1.00 0.00 C ATOM 634 C PRO A 42 -11.570 13.995 5.085 1.00 0.00 C ATOM 635 O PRO A 42 -10.549 13.554 5.611 1.00 0.00 O ATOM 636 CB PRO A 42 -12.688 12.062 3.940 1.00 0.00 C ATOM 637 CG PRO A 42 -11.588 11.100 3.648 1.00 0.00 C ATOM 638 CD PRO A 42 -10.740 11.751 2.590 1.00 0.00 C ATOM 0 HA PRO A 42 -12.752 14.194 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.065 11.935 4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.532 11.915 3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.003 10.892 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.985 10.147 3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.689 11.482 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.046 11.450 1.588 1.00 0.00 H new ATOM 646 N GLN A 43 -12.305 14.960 5.626 1.00 0.00 N ATOM 647 CA GLN A 43 -11.945 15.571 6.900 1.00 0.00 C ATOM 648 C GLN A 43 -12.488 14.755 8.068 1.00 0.00 C ATOM 649 O GLN A 43 -11.762 14.443 9.012 1.00 0.00 O ATOM 650 CB GLN A 43 -12.477 17.003 6.972 1.00 0.00 C ATOM 651 CG GLN A 43 -11.731 17.976 6.073 1.00 0.00 C ATOM 652 CD GLN A 43 -12.425 19.319 5.964 1.00 0.00 C ATOM 653 OE1 GLN A 43 -13.424 19.572 6.638 1.00 0.00 O ATOM 654 NE2 GLN A 43 -11.897 20.191 5.112 1.00 0.00 N ATOM 0 H GLN A 43 -13.153 15.336 5.202 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.857 15.591 6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.532 17.004 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.415 17.353 8.002 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.723 18.123 6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.630 17.542 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.068 19.940 4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.320 21.112 4.997 1.00 0.00 H new ATOM 663 N PHE A 44 -13.770 14.412 7.998 1.00 0.00 N ATOM 664 CA PHE A 44 -14.412 13.633 9.051 1.00 0.00 C ATOM 665 C PHE A 44 -13.684 12.309 9.268 1.00 0.00 C ATOM 666 O PHE A 44 -13.506 11.866 10.402 1.00 0.00 O ATOM 667 CB PHE A 44 -15.878 13.371 8.699 1.00 0.00 C ATOM 668 CG PHE A 44 -16.070 12.781 7.331 1.00 0.00 C ATOM 669 CD1 PHE A 44 -16.204 13.600 6.222 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.115 11.408 7.154 1.00 0.00 C ATOM 671 CE1 PHE A 44 -16.382 13.060 4.962 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.292 10.862 5.897 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.425 11.689 4.799 1.00 0.00 C ATOM 0 H PHE A 44 -14.385 14.661 7.223 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.365 14.209 9.975 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.306 12.696 9.440 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.432 14.308 8.763 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -16.169 14.673 6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -16.010 10.756 8.009 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.487 13.710 4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.326 9.790 5.773 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.562 11.265 3.815 1.00 0.00 H new ATOM 683 N ILE A 45 -13.268 11.683 8.172 1.00 0.00 N ATOM 684 CA ILE A 45 -12.560 10.411 8.242 1.00 0.00 C ATOM 685 C ILE A 45 -11.726 10.315 9.515 1.00 0.00 C ATOM 686 O ILE A 45 -11.195 11.315 9.997 1.00 0.00 O ATOM 687 CB ILE A 45 -11.639 10.212 7.023 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.369 8.722 6.800 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.334 10.970 7.215 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.954 8.389 5.384 1.00 0.00 C ATOM 0 H ILE A 45 -13.409 12.036 7.225 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.318 9.628 8.247 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.139 10.608 6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.587 8.396 7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.267 8.157 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.694 10.819 6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.544 12.033 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.827 10.601 8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.779 7.316 5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.745 8.684 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.038 8.927 5.137 1.00 0.00 H new ATOM 702 N GLN A 46 -11.615 9.105 10.053 1.00 0.00 N ATOM 703 CA GLN A 46 -10.845 8.878 11.271 1.00 0.00 C ATOM 704 C GLN A 46 -9.487 8.264 10.949 1.00 0.00 C ATOM 705 O GLN A 46 -8.478 8.606 11.564 1.00 0.00 O ATOM 706 CB GLN A 46 -11.618 7.967 12.226 1.00 0.00 C ATOM 707 CG GLN A 46 -12.511 8.721 13.198 1.00 0.00 C ATOM 708 CD GLN A 46 -11.740 9.310 14.362 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.989 8.610 15.043 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.920 10.605 14.597 1.00 0.00 N ATOM 0 H GLN A 46 -12.048 8.267 9.665 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.682 9.842 11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.230 7.279 11.643 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.909 7.362 12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.026 9.521 12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.278 8.046 13.579 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.552 11.147 14.008 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.426 11.057 15.367 1.00 0.00 H new ATOM 719 N GLY A 47 -9.469 7.353 9.980 1.00 0.00 N ATOM 720 CA GLY A 47 -8.230 6.705 9.594 1.00 0.00 C ATOM 721 C GLY A 47 -8.367 5.909 8.312 1.00 0.00 C ATOM 722 O GLY A 47 -9.214 6.212 7.472 1.00 0.00 O ATOM 0 H GLY A 47 -10.291 7.053 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.453 7.459 9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.905 6.043 10.396 1.00 0.00 H new ATOM 726 N TYR A 48 -7.530 4.888 8.159 1.00 0.00 N ATOM 727 CA TYR A 48 -7.559 4.048 6.967 1.00 0.00 C ATOM 728 C TYR A 48 -7.303 2.587 7.324 1.00 0.00 C ATOM 729 O TYR A 48 -6.207 2.223 7.749 1.00 0.00 O ATOM 730 CB TYR A 48 -6.518 4.527 5.955 1.00 0.00 C ATOM 731 CG TYR A 48 -6.959 5.733 5.156 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.828 5.597 4.079 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.508 7.007 5.477 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.233 6.695 3.346 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.910 8.111 4.750 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.772 7.950 3.686 1.00 0.00 C ATOM 737 OH TYR A 48 -8.174 9.047 2.958 1.00 0.00 O ATOM 0 H TYR A 48 -6.824 4.622 8.845 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.551 4.126 6.522 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.595 4.769 6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.288 3.712 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.192 4.616 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.832 7.137 6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.907 6.572 2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.551 9.095 5.014 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.760 9.855 3.328 1.00 0.00 H new ATOM 747 N ARG A 49 -8.324 1.754 7.147 1.00 0.00 N ATOM 748 CA ARG A 49 -8.211 0.333 7.451 1.00 0.00 C ATOM 749 C ARG A 49 -7.536 -0.416 6.305 1.00 0.00 C ATOM 750 O ARG A 49 -8.180 -0.770 5.317 1.00 0.00 O ATOM 751 CB ARG A 49 -9.594 -0.264 7.720 1.00 0.00 C ATOM 752 CG ARG A 49 -9.550 -1.606 8.432 1.00 0.00 C ATOM 753 CD ARG A 49 -9.464 -1.433 9.941 1.00 0.00 C ATOM 754 NE ARG A 49 -10.628 -0.735 10.479 1.00 0.00 N ATOM 755 CZ ARG A 49 -10.619 -0.069 11.628 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.512 -0.010 12.355 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.719 0.541 12.051 1.00 0.00 N ATOM 0 H ARG A 49 -9.238 2.039 6.795 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.596 0.226 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.173 0.438 8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.120 -0.382 6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.441 -2.182 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.691 -2.178 8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.378 -2.411 10.414 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.560 -0.877 10.191 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.496 -0.760 9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.664 -0.477 12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.508 0.502 13.237 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.572 0.499 11.494 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.711 1.052 12.934 1.00 0.00 H new ATOM 771 N VAL A 50 -6.236 -0.653 6.445 1.00 0.00 N ATOM 772 CA VAL A 50 -5.474 -1.359 5.422 1.00 0.00 C ATOM 773 C VAL A 50 -5.665 -2.867 5.539 1.00 0.00 C ATOM 774 O VAL A 50 -4.921 -3.544 6.248 1.00 0.00 O ATOM 775 CB VAL A 50 -3.971 -1.034 5.518 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.186 -1.828 4.485 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.737 0.459 5.345 1.00 0.00 C ATOM 0 H VAL A 50 -5.688 -0.367 7.257 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.850 -1.021 4.456 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.617 -1.322 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.127 -1.585 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.329 -2.894 4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.539 -1.574 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.670 0.671 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.106 0.774 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.267 1.003 6.126 1.00 0.00 H new ATOM 787 N MET A 51 -6.666 -3.387 4.837 1.00 0.00 N ATOM 788 CA MET A 51 -6.954 -4.817 4.860 1.00 0.00 C ATOM 789 C MET A 51 -5.984 -5.581 3.965 1.00 0.00 C ATOM 790 O MET A 51 -5.312 -4.993 3.117 1.00 0.00 O ATOM 791 CB MET A 51 -8.393 -5.076 4.411 1.00 0.00 C ATOM 792 CG MET A 51 -9.435 -4.640 5.427 1.00 0.00 C ATOM 793 SD MET A 51 -9.897 -5.964 6.561 1.00 0.00 S ATOM 794 CE MET A 51 -11.212 -6.756 5.638 1.00 0.00 C ATOM 0 H MET A 51 -7.291 -2.840 4.245 1.00 0.00 H new ATOM 0 HA MET A 51 -6.831 -5.171 5.884 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.572 -4.552 3.472 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.516 -6.140 4.211 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.049 -3.796 5.998 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.324 -4.290 4.902 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.602 -7.598 6.210 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.012 -6.039 5.456 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.823 -7.114 4.685 1.00 0.00 H new ATOM 804 N TYR A 52 -5.916 -6.894 4.159 1.00 0.00 N ATOM 805 CA TYR A 52 -5.025 -7.738 3.371 1.00 0.00 C ATOM 806 C TYR A 52 -5.227 -9.211 3.713 1.00 0.00 C ATOM 807 O TYR A 52 -5.599 -9.554 4.836 1.00 0.00 O ATOM 808 CB TYR A 52 -3.567 -7.342 3.612 1.00 0.00 C ATOM 809 CG TYR A 52 -3.107 -7.562 5.035 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.507 -6.708 6.056 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.273 -8.625 5.360 1.00 0.00 C ATOM 812 CE1 TYR A 52 -3.088 -6.905 7.357 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.851 -8.831 6.659 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.260 -7.968 7.654 1.00 0.00 C ATOM 815 OH TYR A 52 -1.842 -8.168 8.949 1.00 0.00 O ATOM 0 H TYR A 52 -6.467 -7.397 4.855 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.265 -7.592 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.928 -7.915 2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.438 -6.290 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.157 -5.876 5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.949 -9.302 4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.407 -6.231 8.138 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.204 -9.663 6.894 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.883 -9.124 9.162 1.00 0.00 H new ATOM 825 N ARG A 53 -4.978 -10.077 2.737 1.00 0.00 N ATOM 826 CA ARG A 53 -5.133 -11.514 2.933 1.00 0.00 C ATOM 827 C ARG A 53 -4.589 -12.287 1.735 1.00 0.00 C ATOM 828 O ARG A 53 -4.453 -11.740 0.641 1.00 0.00 O ATOM 829 CB ARG A 53 -6.605 -11.864 3.154 1.00 0.00 C ATOM 830 CG ARG A 53 -7.462 -11.711 1.907 1.00 0.00 C ATOM 831 CD ARG A 53 -8.632 -12.682 1.913 1.00 0.00 C ATOM 832 NE ARG A 53 -9.310 -12.730 0.620 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.511 -13.266 0.439 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.165 -13.797 1.464 1.00 0.00 N ATOM 835 NH2 ARG A 53 -11.062 -13.272 -0.768 1.00 0.00 N ATOM 0 H ARG A 53 -4.668 -9.809 1.803 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.563 -11.799 3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.676 -12.892 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.007 -11.226 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.836 -10.689 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.851 -11.882 1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.275 -13.679 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.343 -12.388 2.685 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.834 -12.330 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.745 -13.794 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.088 -14.208 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.563 -12.864 -1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.985 -13.684 -0.905 1.00 0.00 H new ATOM 849 N GLN A 54 -4.279 -13.562 1.952 1.00 0.00 N ATOM 850 CA GLN A 54 -3.749 -14.409 0.890 1.00 0.00 C ATOM 851 C GLN A 54 -4.852 -14.825 -0.077 1.00 0.00 C ATOM 852 O GLN A 54 -6.026 -14.883 0.291 1.00 0.00 O ATOM 853 CB GLN A 54 -3.082 -15.651 1.485 1.00 0.00 C ATOM 854 CG GLN A 54 -2.107 -16.331 0.538 1.00 0.00 C ATOM 855 CD GLN A 54 -1.274 -17.396 1.223 1.00 0.00 C ATOM 856 OE1 GLN A 54 -0.063 -17.242 1.388 1.00 0.00 O ATOM 857 NE2 GLN A 54 -1.919 -18.484 1.626 1.00 0.00 N ATOM 0 H GLN A 54 -4.386 -14.030 2.852 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.005 -13.834 0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.554 -15.368 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.854 -16.365 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.661 -16.782 -0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.446 -15.581 0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.923 -18.569 1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.410 -19.235 2.093 1.00 0.00 H new ATOM 866 N THR A 55 -4.468 -15.113 -1.317 1.00 0.00 N ATOM 867 CA THR A 55 -5.424 -15.522 -2.338 1.00 0.00 C ATOM 868 C THR A 55 -5.313 -17.014 -2.630 1.00 0.00 C ATOM 869 O THR A 55 -6.321 -17.698 -2.808 1.00 0.00 O ATOM 870 CB THR A 55 -5.218 -14.737 -3.647 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.838 -14.772 -4.027 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.669 -13.293 -3.489 1.00 0.00 C ATOM 0 H THR A 55 -3.501 -15.070 -1.638 1.00 0.00 H new ATOM 0 HA THR A 55 -6.417 -15.305 -1.945 1.00 0.00 H new ATOM 0 HB THR A 55 -5.821 -15.206 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.445 -13.882 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.514 -12.759 -4.426 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.727 -13.269 -3.228 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.090 -12.815 -2.699 1.00 0.00 H new ATOM 880 N SER A 56 -4.082 -17.512 -2.677 1.00 0.00 N ATOM 881 CA SER A 56 -3.839 -18.924 -2.951 1.00 0.00 C ATOM 882 C SER A 56 -3.097 -19.582 -1.792 1.00 0.00 C ATOM 883 O SER A 56 -2.234 -18.970 -1.164 1.00 0.00 O ATOM 884 CB SER A 56 -3.034 -19.083 -4.242 1.00 0.00 C ATOM 885 OG SER A 56 -3.347 -20.304 -4.890 1.00 0.00 O ATOM 0 H SER A 56 -3.237 -16.959 -2.529 1.00 0.00 H new ATOM 0 HA SER A 56 -4.804 -19.417 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.244 -18.248 -4.911 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.968 -19.050 -4.016 1.00 0.00 H new ATOM 0 HG SER A 56 -2.821 -20.382 -5.713 1.00 0.00 H new ATOM 891 N GLY A 57 -3.441 -20.836 -1.513 1.00 0.00 N ATOM 892 CA GLY A 57 -2.799 -21.558 -0.429 1.00 0.00 C ATOM 893 C GLY A 57 -3.721 -21.764 0.756 1.00 0.00 C ATOM 894 O GLY A 57 -4.942 -21.811 0.602 1.00 0.00 O ATOM 0 H GLY A 57 -4.152 -21.365 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.459 -22.527 -0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.914 -21.010 -0.106 1.00 0.00 H new ATOM 898 N LEU A 58 -3.137 -21.890 1.943 1.00 0.00 N ATOM 899 CA LEU A 58 -3.914 -22.094 3.160 1.00 0.00 C ATOM 900 C LEU A 58 -4.629 -20.811 3.572 1.00 0.00 C ATOM 901 O LEU A 58 -5.856 -20.734 3.531 1.00 0.00 O ATOM 902 CB LEU A 58 -3.005 -22.571 4.294 1.00 0.00 C ATOM 903 CG LEU A 58 -3.659 -23.472 5.344 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.478 -22.644 6.322 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.529 -24.526 4.675 1.00 0.00 C ATOM 0 H LEU A 58 -2.128 -21.854 2.088 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.665 -22.858 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.163 -23.108 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.597 -21.695 4.799 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.871 -23.980 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.936 -23.301 7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.828 -21.928 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.258 -22.108 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.986 -25.158 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.310 -24.037 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.915 -25.139 4.016 1.00 0.00 H new ATOM 917 N GLN A 59 -3.852 -19.807 3.966 1.00 0.00 N ATOM 918 CA GLN A 59 -4.412 -18.527 4.383 1.00 0.00 C ATOM 919 C GLN A 59 -5.407 -18.006 3.351 1.00 0.00 C ATOM 920 O GLN A 59 -6.282 -17.201 3.670 1.00 0.00 O ATOM 921 CB GLN A 59 -3.296 -17.503 4.594 1.00 0.00 C ATOM 922 CG GLN A 59 -2.308 -17.895 5.681 1.00 0.00 C ATOM 923 CD GLN A 59 -2.772 -17.488 7.066 1.00 0.00 C ATOM 924 OE1 GLN A 59 -3.288 -16.388 7.262 1.00 0.00 O ATOM 925 NE2 GLN A 59 -2.591 -18.377 8.036 1.00 0.00 N ATOM 0 H GLN A 59 -2.834 -19.855 4.005 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.939 -18.679 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.757 -17.367 3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.740 -16.541 4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.155 -18.974 5.656 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.343 -17.431 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.159 -19.277 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.884 -18.159 8.988 1.00 0.00 H new ATOM 934 N ALA A 60 -5.268 -18.471 2.114 1.00 0.00 N ATOM 935 CA ALA A 60 -6.156 -18.053 1.037 1.00 0.00 C ATOM 936 C ALA A 60 -7.607 -18.015 1.504 1.00 0.00 C ATOM 937 O ALA A 60 -8.102 -18.969 2.107 1.00 0.00 O ATOM 938 CB ALA A 60 -6.009 -18.983 -0.159 1.00 0.00 C ATOM 0 H ALA A 60 -4.549 -19.137 1.833 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.872 -17.044 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.678 -18.659 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.980 -18.956 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.264 -20.000 0.138 1.00 0.00 H new ATOM 944 N THR A 61 -8.285 -16.907 1.224 1.00 0.00 N ATOM 945 CA THR A 61 -9.679 -16.744 1.618 1.00 0.00 C ATOM 946 C THR A 61 -9.959 -17.434 2.948 1.00 0.00 C ATOM 947 O THR A 61 -11.019 -18.032 3.137 1.00 0.00 O ATOM 948 CB THR A 61 -10.634 -17.307 0.549 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.983 -16.935 0.853 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.526 -18.822 0.470 1.00 0.00 C ATOM 0 H THR A 61 -7.891 -16.109 0.726 1.00 0.00 H new ATOM 0 HA THR A 61 -9.854 -15.673 1.724 1.00 0.00 H new ATOM 0 HB THR A 61 -10.350 -16.888 -0.417 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.192 -17.188 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.210 -19.196 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.505 -19.101 0.210 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.786 -19.256 1.436 1.00 0.00 H new ATOM 958 N SER A 62 -9.003 -17.348 3.867 1.00 0.00 N ATOM 959 CA SER A 62 -9.146 -17.967 5.179 1.00 0.00 C ATOM 960 C SER A 62 -9.655 -16.958 6.204 1.00 0.00 C ATOM 961 O SER A 62 -10.708 -17.150 6.811 1.00 0.00 O ATOM 962 CB SER A 62 -7.809 -18.550 5.640 1.00 0.00 C ATOM 963 OG SER A 62 -7.993 -19.476 6.697 1.00 0.00 O ATOM 0 H SER A 62 -8.121 -16.855 3.727 1.00 0.00 H new ATOM 0 HA SER A 62 -9.876 -18.772 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.316 -19.043 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.152 -17.745 5.968 1.00 0.00 H new ATOM 0 HG SER A 62 -7.124 -19.835 6.972 1.00 0.00 H new ATOM 969 N SER A 63 -8.897 -15.882 6.392 1.00 0.00 N ATOM 970 CA SER A 63 -9.268 -14.843 7.346 1.00 0.00 C ATOM 971 C SER A 63 -8.652 -13.503 6.955 1.00 0.00 C ATOM 972 O SER A 63 -7.432 -13.343 6.959 1.00 0.00 O ATOM 973 CB SER A 63 -8.818 -15.232 8.756 1.00 0.00 C ATOM 974 OG SER A 63 -9.256 -16.538 9.088 1.00 0.00 O ATOM 0 H SER A 63 -8.023 -15.707 5.897 1.00 0.00 H new ATOM 0 HA SER A 63 -10.353 -14.742 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.731 -15.182 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.214 -14.518 9.478 1.00 0.00 H new ATOM 0 HG SER A 63 -8.955 -16.764 9.993 1.00 0.00 H new ATOM 980 N TRP A 64 -9.507 -12.543 6.620 1.00 0.00 N ATOM 981 CA TRP A 64 -9.048 -11.215 6.227 1.00 0.00 C ATOM 982 C TRP A 64 -8.388 -10.498 7.399 1.00 0.00 C ATOM 983 O TRP A 64 -8.806 -10.652 8.546 1.00 0.00 O ATOM 984 CB TRP A 64 -10.219 -10.385 5.698 1.00 0.00 C ATOM 985 CG TRP A 64 -10.407 -10.501 4.216 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.287 -11.316 3.563 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.699 -9.778 3.203 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.168 -11.145 2.205 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.201 -10.206 1.958 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.691 -8.811 3.225 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.728 -9.699 0.751 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.222 -8.309 2.026 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.740 -8.753 0.803 1.00 0.00 C ATOM 0 H TRP A 64 -10.520 -12.659 6.613 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.308 -11.333 5.435 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.134 -10.700 6.199 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.059 -9.338 5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.975 -11.995 4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.711 -11.637 1.496 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.285 -8.462 4.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.126 -10.040 -0.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.443 -7.561 2.032 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.352 -8.341 -0.117 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.356 -9.714 7.103 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.639 -8.974 8.134 1.00 0.00 C ATOM 1006 C GLN A 65 -6.879 -7.474 7.994 1.00 0.00 C ATOM 1007 O GLN A 65 -7.333 -7.003 6.952 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.141 -9.272 8.057 1.00 0.00 C ATOM 1009 CG GLN A 65 -4.803 -10.744 8.230 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.469 -11.113 7.612 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.416 -10.923 8.220 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.508 -11.646 6.396 1.00 0.00 N ATOM 0 H GLN A 65 -6.998 -9.575 6.158 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.017 -9.295 9.105 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.760 -8.931 7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.625 -8.697 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.786 -10.987 9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.589 -11.349 7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.404 -11.786 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.642 -11.916 5.929 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.573 -6.730 9.052 1.00 0.00 N ATOM 1022 CA ASN A 66 -6.757 -5.283 9.047 1.00 0.00 C ATOM 1023 C ASN A 66 -5.641 -4.590 9.824 1.00 0.00 C ATOM 1024 O ASN A 66 -5.302 -4.993 10.937 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.115 -4.919 9.650 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.489 -5.813 10.816 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.693 -6.373 10.770 1.00 0.00 O flip ATOM 1028 ND2 ASN A 66 -7.705 -5.999 11.746 1.00 0.00 N flip ATOM 0 H ASN A 66 -6.197 -7.105 9.923 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.722 -4.941 8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.095 -3.881 9.983 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.883 -4.991 8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.790 -5.548 11.740 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.970 -6.604 12.523 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.074 -3.547 9.229 1.00 0.00 N ATOM 1036 CA LEU A 67 -3.996 -2.797 9.864 1.00 0.00 C ATOM 1037 C LEU A 67 -4.396 -1.340 10.074 1.00 0.00 C ATOM 1038 O LEU A 67 -4.205 -0.500 9.194 1.00 0.00 O ATOM 1039 CB LEU A 67 -2.726 -2.871 9.015 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.491 -2.179 9.592 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.790 -3.085 10.593 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.537 -1.774 8.478 1.00 0.00 C ATOM 0 H LEU A 67 -5.343 -3.201 8.308 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.801 -3.245 10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.485 -3.921 8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.940 -2.435 8.039 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.814 -1.277 10.113 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.087 -2.576 10.993 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.474 -3.325 11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.480 -4.005 10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.336 -1.283 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.221 -2.661 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.042 -1.087 7.798 1.00 0.00 H new ATOM 1054 N ASP A 68 -4.951 -1.047 11.245 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.376 0.309 11.572 1.00 0.00 C ATOM 1056 C ASP A 68 -4.187 1.266 11.572 1.00 0.00 C ATOM 1057 O ASP A 68 -3.244 1.099 12.345 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.067 0.335 12.936 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.222 -0.294 14.026 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.923 -1.502 13.921 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -4.860 0.421 14.984 1.00 0.00 O ATOM 0 H ASP A 68 -5.117 -1.731 11.984 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.083 0.636 10.809 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.293 1.367 13.206 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.018 -0.193 12.868 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.239 2.267 10.700 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.168 3.250 10.601 1.00 0.00 C ATOM 1068 C ALA A 69 -3.233 4.252 11.749 1.00 0.00 C ATOM 1069 O ALA A 69 -2.224 4.847 12.126 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.237 3.972 9.263 1.00 0.00 C ATOM 0 H ALA A 69 -5.012 2.418 10.052 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.217 2.722 10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.431 4.704 9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.133 3.249 8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.197 4.481 9.173 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.428 4.434 12.301 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.626 5.363 13.407 1.00 0.00 C ATOM 1078 C LYS A 70 -4.117 6.755 13.047 1.00 0.00 C ATOM 1079 O LYS A 70 -3.626 7.489 13.905 1.00 0.00 O ATOM 1080 CB LYS A 70 -3.911 4.855 14.661 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.402 3.497 15.133 1.00 0.00 C ATOM 1082 CD LYS A 70 -3.631 3.019 16.352 1.00 0.00 C ATOM 1083 CE LYS A 70 -4.233 3.560 17.640 1.00 0.00 C ATOM 1084 NZ LYS A 70 -3.681 2.874 18.841 1.00 0.00 N ATOM 0 H LYS A 70 -5.274 3.950 12.000 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.696 5.428 13.607 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.841 4.796 14.460 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.045 5.580 15.464 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.464 3.556 15.373 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.297 2.771 14.327 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.630 1.929 16.379 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.591 3.337 16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.037 4.630 17.711 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.316 3.435 17.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.116 3.271 19.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.890 1.857 18.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.651 3.015 18.879 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.237 7.112 11.772 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.790 8.417 11.299 1.00 0.00 C ATOM 1100 C VAL A 71 -4.150 8.622 9.831 1.00 0.00 C ATOM 1101 O VAL A 71 -3.604 7.977 8.937 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.269 8.587 11.471 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.525 7.438 10.807 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.815 9.924 10.907 1.00 0.00 C ATOM 0 H VAL A 71 -4.640 6.516 11.049 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.302 9.165 11.905 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.037 8.571 12.536 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.452 7.575 10.939 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.829 6.496 11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.760 7.419 9.743 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.738 10.027 11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.059 9.973 9.846 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.323 10.732 11.433 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.091 9.543 9.576 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.545 9.856 8.218 1.00 0.00 C ATOM 1116 C PRO A 72 -4.478 10.578 7.402 1.00 0.00 C ATOM 1117 O PRO A 72 -4.632 10.777 6.197 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.751 10.769 8.448 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.509 11.388 9.782 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.785 10.350 10.594 1.00 0.00 C ATOM 0 HA PRO A 72 -5.777 8.956 7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.828 11.527 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.683 10.204 8.437 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.913 12.296 9.689 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.448 11.670 10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.083 10.805 11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.476 9.747 11.183 1.00 0.00 H new ATOM 1128 N THR A 73 -3.395 10.969 8.067 1.00 0.00 N ATOM 1129 CA THR A 73 -2.303 11.670 7.404 1.00 0.00 C ATOM 1130 C THR A 73 -1.246 10.692 6.903 1.00 0.00 C ATOM 1131 O THR A 73 -0.106 11.076 6.643 1.00 0.00 O ATOM 1132 CB THR A 73 -1.636 12.690 8.346 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.057 12.016 9.468 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.647 13.718 8.832 1.00 0.00 C ATOM 0 H THR A 73 -3.251 10.812 9.064 1.00 0.00 H new ATOM 0 HA THR A 73 -2.736 12.199 6.555 1.00 0.00 H new ATOM 0 HB THR A 73 -0.853 13.207 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.634 12.672 10.061 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.154 14.428 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.064 14.250 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.448 13.213 9.372 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.633 9.427 6.769 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.716 8.395 6.299 1.00 0.00 C ATOM 1144 C GLU A 74 -1.326 7.613 5.139 1.00 0.00 C ATOM 1145 O GLU A 74 -2.351 6.949 5.295 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.360 7.440 7.440 1.00 0.00 C ATOM 1147 CG GLU A 74 0.806 7.915 8.290 1.00 0.00 C ATOM 1148 CD GLU A 74 1.232 6.889 9.322 1.00 0.00 C ATOM 1149 OE1 GLU A 74 1.255 5.686 8.988 1.00 0.00 O ATOM 1150 OE2 GLU A 74 1.542 7.289 10.464 1.00 0.00 O ATOM 0 H GLU A 74 -2.574 9.093 6.979 1.00 0.00 H new ATOM 0 HA GLU A 74 0.192 8.885 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.234 7.308 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.120 6.462 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.652 8.147 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.529 8.840 8.796 1.00 0.00 H new ATOM 1157 N ARG A 75 -0.689 7.699 3.976 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.169 7.002 2.788 1.00 0.00 C ATOM 1159 C ARG A 75 -0.275 5.811 2.458 1.00 0.00 C ATOM 1160 O ARG A 75 -0.157 5.413 1.299 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.224 7.959 1.596 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.019 9.226 1.868 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.485 9.051 1.505 1.00 0.00 C ATOM 1164 NE ARG A 75 -4.349 9.941 2.275 1.00 0.00 N ATOM 1165 CZ ARG A 75 -4.376 11.260 2.116 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.590 11.838 1.218 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -5.190 12.003 2.855 1.00 0.00 N ATOM 0 H ARG A 75 0.161 8.244 3.831 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.174 6.633 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.207 8.232 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.664 7.440 0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.933 9.492 2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.597 10.052 1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.621 9.245 0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.781 8.017 1.681 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.966 9.527 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.963 11.270 0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.612 12.851 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.796 11.562 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.209 13.015 2.732 1.00 0.00 H new ATOM 1181 N SER A 76 0.355 5.248 3.484 1.00 0.00 N ATOM 1182 CA SER A 76 1.242 4.105 3.303 1.00 0.00 C ATOM 1183 C SER A 76 1.174 3.167 4.504 1.00 0.00 C ATOM 1184 O SER A 76 1.252 3.605 5.652 1.00 0.00 O ATOM 1185 CB SER A 76 2.682 4.579 3.093 1.00 0.00 C ATOM 1186 OG SER A 76 3.220 5.119 4.288 1.00 0.00 O ATOM 0 H SER A 76 0.268 5.565 4.450 1.00 0.00 H new ATOM 0 HA SER A 76 0.913 3.558 2.419 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.298 3.744 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.709 5.332 2.305 1.00 0.00 H new ATOM 0 HG SER A 76 4.141 5.413 4.128 1.00 0.00 H new ATOM 1192 N ALA A 77 1.026 1.875 4.231 1.00 0.00 N ATOM 1193 CA ALA A 77 0.949 0.875 5.288 1.00 0.00 C ATOM 1194 C ALA A 77 1.758 -0.367 4.928 1.00 0.00 C ATOM 1195 O ALA A 77 1.536 -0.986 3.888 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.502 0.502 5.556 1.00 0.00 C ATOM 0 H ALA A 77 0.957 1.496 3.286 1.00 0.00 H new ATOM 0 HA ALA A 77 1.376 1.305 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.545 -0.246 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.055 1.389 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.947 0.095 4.648 1.00 0.00 H new ATOM 1202 N VAL A 78 2.699 -0.726 5.796 1.00 0.00 N ATOM 1203 CA VAL A 78 3.541 -1.894 5.571 1.00 0.00 C ATOM 1204 C VAL A 78 2.925 -3.144 6.189 1.00 0.00 C ATOM 1205 O VAL A 78 2.450 -3.118 7.325 1.00 0.00 O ATOM 1206 CB VAL A 78 4.953 -1.689 6.152 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.793 -2.945 5.971 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.626 -0.489 5.504 1.00 0.00 C ATOM 0 H VAL A 78 2.897 -0.224 6.662 1.00 0.00 H new ATOM 0 HA VAL A 78 3.616 -2.026 4.492 1.00 0.00 H new ATOM 0 HB VAL A 78 4.863 -1.493 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.787 -2.781 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.317 -3.779 6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.878 -3.176 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.622 -0.359 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.706 -0.653 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.033 0.406 5.691 1.00 0.00 H new ATOM 1218 N LEU A 79 2.937 -4.238 5.436 1.00 0.00 N ATOM 1219 CA LEU A 79 2.380 -5.500 5.910 1.00 0.00 C ATOM 1220 C LEU A 79 3.485 -6.516 6.182 1.00 0.00 C ATOM 1221 O LEU A 79 4.180 -6.953 5.264 1.00 0.00 O ATOM 1222 CB LEU A 79 1.395 -6.063 4.884 1.00 0.00 C ATOM 1223 CG LEU A 79 0.308 -5.103 4.400 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.438 -5.695 3.214 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.657 -4.776 5.530 1.00 0.00 C ATOM 0 H LEU A 79 3.327 -4.277 4.494 1.00 0.00 H new ATOM 0 HA LEU A 79 1.852 -5.307 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.960 -6.406 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.912 -6.939 5.317 1.00 0.00 H new ATOM 0 HG LEU A 79 0.785 -4.178 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.208 -4.998 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.262 -5.877 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.903 -6.635 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.424 -4.092 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.127 -5.693 5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.112 -4.308 6.350 1.00 0.00 H new ATOM 1237 N VAL A 80 3.641 -6.888 7.448 1.00 0.00 N ATOM 1238 CA VAL A 80 4.660 -7.855 7.840 1.00 0.00 C ATOM 1239 C VAL A 80 4.042 -9.220 8.124 1.00 0.00 C ATOM 1240 O VAL A 80 2.826 -9.345 8.260 1.00 0.00 O ATOM 1241 CB VAL A 80 5.430 -7.384 9.088 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.271 -6.157 8.765 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.468 -7.095 10.230 1.00 0.00 C ATOM 0 H VAL A 80 3.075 -6.535 8.220 1.00 0.00 H new ATOM 0 HA VAL A 80 5.354 -7.940 7.004 1.00 0.00 H new ATOM 0 HB VAL A 80 6.101 -8.183 9.402 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.808 -5.838 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.986 -6.403 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.622 -5.350 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.029 -6.763 11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.770 -6.314 9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.914 -8.001 10.477 1.00 0.00 H new ATOM 1253 N ASN A 81 4.889 -10.240 8.212 1.00 0.00 N ATOM 1254 CA ASN A 81 4.426 -11.597 8.479 1.00 0.00 C ATOM 1255 C ASN A 81 3.616 -12.137 7.305 1.00 0.00 C ATOM 1256 O ASN A 81 2.498 -12.625 7.479 1.00 0.00 O ATOM 1257 CB ASN A 81 3.580 -11.627 9.754 1.00 0.00 C ATOM 1258 CG ASN A 81 4.206 -10.832 10.883 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.388 -10.492 10.836 1.00 0.00 O ATOM 1260 ND2 ASN A 81 3.414 -10.531 11.905 1.00 0.00 N ATOM 0 H ASN A 81 5.899 -10.153 8.102 1.00 0.00 H new ATOM 0 HA ASN A 81 5.301 -12.233 8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.589 -11.228 9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.445 -12.661 10.073 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.780 -9.997 12.693 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.440 -10.834 11.902 1.00 0.00 H new ATOM 1267 N LEU A 82 4.187 -12.047 6.108 1.00 0.00 N ATOM 1268 CA LEU A 82 3.518 -12.527 4.904 1.00 0.00 C ATOM 1269 C LEU A 82 4.148 -13.826 4.413 1.00 0.00 C ATOM 1270 O LEU A 82 5.269 -14.167 4.790 1.00 0.00 O ATOM 1271 CB LEU A 82 3.586 -11.467 3.803 1.00 0.00 C ATOM 1272 CG LEU A 82 2.974 -10.107 4.142 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.337 -9.079 3.081 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.463 -10.222 4.281 1.00 0.00 C ATOM 0 H LEU A 82 5.111 -11.646 5.946 1.00 0.00 H new ATOM 0 HA LEU A 82 2.474 -12.721 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.632 -11.316 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.084 -11.858 2.918 1.00 0.00 H new ATOM 0 HG LEU A 82 3.382 -9.774 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.893 -8.118 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.421 -8.976 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.958 -9.406 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.044 -9.245 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.037 -10.577 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.223 -10.926 5.078 1.00 0.00 H new ATOM 1286 N LYS A 83 3.419 -14.549 3.569 1.00 0.00 N ATOM 1287 CA LYS A 83 3.906 -15.810 3.022 1.00 0.00 C ATOM 1288 C LYS A 83 4.797 -15.569 1.808 1.00 0.00 C ATOM 1289 O LYS A 83 4.620 -14.593 1.079 1.00 0.00 O ATOM 1290 CB LYS A 83 2.731 -16.710 2.635 1.00 0.00 C ATOM 1291 CG LYS A 83 2.169 -17.510 3.798 1.00 0.00 C ATOM 1292 CD LYS A 83 3.055 -18.697 4.137 1.00 0.00 C ATOM 1293 CE LYS A 83 2.254 -19.831 4.759 1.00 0.00 C ATOM 1294 NZ LYS A 83 1.838 -19.516 6.154 1.00 0.00 N ATOM 0 H LYS A 83 2.488 -14.283 3.249 1.00 0.00 H new ATOM 0 HA LYS A 83 4.497 -16.306 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.937 -16.095 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.053 -17.398 1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.073 -16.865 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.168 -17.861 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.550 -19.053 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.838 -18.382 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.370 -20.027 4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.852 -20.742 4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.295 -20.313 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.682 -19.354 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.246 -18.661 6.155 1.00 0.00 H new ATOM 1308 N LYS A 84 5.754 -16.465 1.595 1.00 0.00 N ATOM 1309 CA LYS A 84 6.672 -16.353 0.467 1.00 0.00 C ATOM 1310 C LYS A 84 6.177 -17.173 -0.720 1.00 0.00 C ATOM 1311 O LYS A 84 5.608 -18.249 -0.549 1.00 0.00 O ATOM 1312 CB LYS A 84 8.072 -16.817 0.874 1.00 0.00 C ATOM 1313 CG LYS A 84 8.604 -16.128 2.118 1.00 0.00 C ATOM 1314 CD LYS A 84 10.057 -16.489 2.378 1.00 0.00 C ATOM 1315 CE LYS A 84 10.438 -16.255 3.832 1.00 0.00 C ATOM 1316 NZ LYS A 84 11.905 -16.392 4.050 1.00 0.00 N ATOM 0 H LYS A 84 5.915 -17.278 2.189 1.00 0.00 H new ATOM 0 HA LYS A 84 6.716 -15.305 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.053 -17.893 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.760 -16.638 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.511 -15.048 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.998 -16.411 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.225 -17.535 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.702 -15.894 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.117 -15.258 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.909 -16.967 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.124 -16.225 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.207 -17.351 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.409 -15.696 3.465 1.00 0.00 H new ATOM 1330 N GLY A 85 6.401 -16.656 -1.925 1.00 0.00 N ATOM 1331 CA GLY A 85 5.973 -17.355 -3.123 1.00 0.00 C ATOM 1332 C GLY A 85 4.469 -17.531 -3.185 1.00 0.00 C ATOM 1333 O GLY A 85 3.974 -18.644 -3.363 1.00 0.00 O ATOM 0 H GLY A 85 6.871 -15.766 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.308 -16.803 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.452 -18.333 -3.160 1.00 0.00 H new ATOM 1337 N VAL A 86 3.739 -16.430 -3.036 1.00 0.00 N ATOM 1338 CA VAL A 86 2.282 -16.468 -3.076 1.00 0.00 C ATOM 1339 C VAL A 86 1.702 -15.079 -3.316 1.00 0.00 C ATOM 1340 O VAL A 86 2.264 -14.074 -2.878 1.00 0.00 O ATOM 1341 CB VAL A 86 1.700 -17.036 -1.768 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.087 -16.160 -0.586 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.187 -17.167 -1.871 1.00 0.00 C ATOM 0 H VAL A 86 4.133 -15.501 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 86 2.005 -17.122 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 86 2.119 -18.029 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.667 -16.577 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.173 -16.121 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.699 -15.153 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.208 -17.570 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.251 -16.186 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.065 -17.839 -2.692 1.00 0.00 H new ATOM 1353 N THR A 87 0.573 -15.028 -4.016 1.00 0.00 N ATOM 1354 CA THR A 87 -0.083 -13.762 -4.316 1.00 0.00 C ATOM 1355 C THR A 87 -0.926 -13.286 -3.138 1.00 0.00 C ATOM 1356 O THR A 87 -1.493 -14.094 -2.402 1.00 0.00 O ATOM 1357 CB THR A 87 -0.982 -13.876 -5.562 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.285 -14.564 -6.607 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.407 -12.500 -6.051 1.00 0.00 C ATOM 0 H THR A 87 0.094 -15.849 -4.386 1.00 0.00 H new ATOM 0 HA THR A 87 0.707 -13.036 -4.511 1.00 0.00 H new ATOM 0 HB THR A 87 -1.875 -14.439 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.863 -14.634 -7.395 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.041 -12.606 -6.931 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.962 -11.990 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.523 -11.916 -6.309 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.005 -11.972 -2.966 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.777 -11.389 -1.875 1.00 0.00 C ATOM 1369 C TYR A 88 -2.662 -10.254 -2.380 1.00 0.00 C ATOM 1370 O TYR A 88 -2.182 -9.310 -3.007 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.843 -10.873 -0.779 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.533 -11.902 0.285 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.333 -12.024 1.415 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.560 -12.750 0.162 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -1.053 -12.961 2.390 1.00 0.00 C ATOM 1376 CE2 TYR A 88 0.847 -13.691 1.131 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.038 -13.793 2.244 1.00 0.00 C ATOM 1378 OH TYR A 88 0.321 -14.728 3.212 1.00 0.00 O ATOM 0 H TYR A 88 -0.544 -11.290 -3.568 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.417 -12.168 -1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.090 -10.541 -1.235 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.296 -10.001 -0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.188 -11.375 1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.197 -12.672 -0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.685 -13.042 3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.700 -14.344 1.018 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.141 -15.566 3.002 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.958 -10.353 -2.102 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.911 -9.335 -2.528 1.00 0.00 C ATOM 1390 C GLU A 89 -5.164 -8.325 -1.412 1.00 0.00 C ATOM 1391 O GLU A 89 -5.782 -8.647 -0.398 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.230 -9.984 -2.951 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.226 -9.006 -3.551 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.414 -9.699 -4.189 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -9.161 -10.385 -3.460 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -8.597 -9.556 -5.416 1.00 0.00 O ATOM 0 H GLU A 89 -4.372 -11.128 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.483 -8.809 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.022 -10.769 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.683 -10.464 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.580 -8.330 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.722 -8.394 -4.299 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.680 -7.103 -1.608 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.853 -6.046 -0.619 1.00 0.00 C ATOM 1405 C ILE A 90 -5.633 -4.872 -1.201 1.00 0.00 C ATOM 1406 O ILE A 90 -5.480 -4.530 -2.374 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.498 -5.538 -0.095 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.661 -6.705 0.434 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.708 -4.494 0.992 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.774 -7.337 -0.616 1.00 0.00 C ATOM 0 H ILE A 90 -4.165 -6.821 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.414 -6.478 0.210 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.958 -5.072 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.040 -6.352 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.328 -7.465 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.741 -4.144 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.269 -3.653 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.265 -4.936 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.210 -8.157 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.390 -7.720 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.082 -6.590 -1.005 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.469 -4.255 -0.373 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.271 -3.116 -0.802 1.00 0.00 C ATOM 1424 C LYS A 91 -7.380 -2.077 0.309 1.00 0.00 C ATOM 1425 O LYS A 91 -7.140 -2.377 1.479 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.668 -3.579 -1.221 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.194 -4.744 -0.401 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.639 -4.297 0.982 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.377 -5.406 1.715 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.814 -5.465 1.329 1.00 0.00 N ATOM 0 H LYS A 91 -6.609 -4.525 0.601 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.775 -2.656 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.361 -2.742 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.646 -3.866 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.032 -5.208 -0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.418 -5.503 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.770 -3.991 1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.286 -3.425 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.903 -6.363 1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.296 -5.247 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.150 -6.447 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.371 -4.868 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.926 -5.121 0.354 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.746 -0.854 -0.063 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.890 0.228 0.903 1.00 0.00 C ATOM 1446 C VAL A 92 -9.306 0.794 0.888 1.00 0.00 C ATOM 1447 O VAL A 92 -9.916 0.937 -0.171 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.891 1.367 0.623 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.966 2.423 1.715 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.478 0.816 0.498 1.00 0.00 C ATOM 0 H VAL A 92 -7.948 -0.588 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.681 -0.195 1.886 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.158 1.838 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.253 3.219 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.973 2.838 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.725 1.970 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.785 1.634 0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.198 0.319 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.438 0.100 -0.323 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.822 1.114 2.070 1.00 0.00 N ATOM 1461 CA ARG A 93 -11.166 1.663 2.193 1.00 0.00 C ATOM 1462 C ARG A 93 -11.241 2.665 3.342 1.00 0.00 C ATOM 1463 O ARG A 93 -10.969 2.343 4.498 1.00 0.00 O ATOM 1464 CB ARG A 93 -12.181 0.540 2.415 1.00 0.00 C ATOM 1465 CG ARG A 93 -12.509 -0.242 1.155 1.00 0.00 C ATOM 1466 CD ARG A 93 -13.669 -1.200 1.379 1.00 0.00 C ATOM 1467 NE ARG A 93 -13.617 -2.344 0.473 1.00 0.00 N ATOM 1468 CZ ARG A 93 -14.230 -3.499 0.711 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.937 -3.661 1.821 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -14.136 -4.493 -0.162 1.00 0.00 N ATOM 0 H ARG A 93 -9.329 1.002 2.956 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.406 2.182 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -11.792 -0.146 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.100 0.967 2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -12.758 0.450 0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.630 -0.802 0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.653 -1.553 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -14.610 -0.669 1.238 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.081 -2.252 -0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.011 -2.898 2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.407 -4.548 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.593 -4.371 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.607 -5.379 0.021 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.618 3.911 3.017 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.737 4.985 4.007 1.00 0.00 C ATOM 1486 C PRO A 94 -12.912 4.772 4.955 1.00 0.00 C ATOM 1487 O PRO A 94 -14.072 4.825 4.545 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.962 6.234 3.150 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.564 5.723 1.887 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.958 4.366 1.658 1.00 0.00 C ATOM 0 HA PRO A 94 -10.859 5.045 4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.626 6.941 3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.025 6.757 2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.649 5.657 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.349 6.392 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.660 3.689 1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.076 4.422 1.020 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.605 4.531 6.225 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.636 4.307 7.232 1.00 0.00 C ATOM 1500 C TYR A 95 -13.604 5.400 8.296 1.00 0.00 C ATOM 1501 O TYR A 95 -12.535 5.862 8.696 1.00 0.00 O ATOM 1502 CB TYR A 95 -13.452 2.937 7.886 1.00 0.00 C ATOM 1503 CG TYR A 95 -12.517 2.954 9.074 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.964 3.347 10.329 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -11.186 2.578 8.941 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -12.114 3.364 11.418 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -10.328 2.592 10.024 1.00 0.00 C ATOM 1508 CZ TYR A 95 -10.797 2.986 11.260 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.946 3.001 12.341 1.00 0.00 O ATOM 0 H TYR A 95 -11.650 4.486 6.582 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.606 4.337 6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -14.425 2.562 8.205 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -13.069 2.237 7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.994 3.645 10.456 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.816 2.269 7.975 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.479 3.671 12.387 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.296 2.296 9.904 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.055 2.706 12.060 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.784 5.808 8.752 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.893 6.846 9.770 1.00 0.00 C ATOM 1521 C PHE A 96 -15.108 6.234 11.150 1.00 0.00 C ATOM 1522 O PHE A 96 -14.214 6.250 11.995 1.00 0.00 O ATOM 1523 CB PHE A 96 -16.043 7.798 9.436 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.333 8.792 10.525 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.483 9.863 10.748 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.456 8.655 11.325 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.747 10.780 11.748 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.726 9.568 12.326 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.870 10.632 12.539 1.00 0.00 C ATOM 0 H PHE A 96 -15.678 5.435 8.432 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.959 7.407 9.783 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.804 8.336 8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.942 7.214 9.239 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.603 9.983 10.133 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.128 7.825 11.164 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.076 11.611 11.911 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.605 9.450 12.942 1.00 0.00 H new ATOM 0 HZ PHE A 96 -17.078 11.346 13.322 1.00 0.00 H new ATOM 1539 N ASN A 97 -16.303 5.694 11.372 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.637 5.077 12.650 1.00 0.00 C ATOM 1541 C ASN A 97 -16.775 3.565 12.504 1.00 0.00 C ATOM 1542 O ASN A 97 -15.985 2.803 13.062 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.937 5.668 13.200 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.711 6.970 13.944 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.591 7.479 14.001 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.776 7.515 14.520 1.00 0.00 N ATOM 0 H ASN A 97 -17.055 5.672 10.683 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.827 5.284 13.349 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.632 5.839 12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.406 4.947 13.869 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.685 8.390 15.035 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.685 7.058 14.447 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.783 3.137 11.750 1.00 0.00 N ATOM 1554 CA GLU A 98 -18.023 1.716 11.531 1.00 0.00 C ATOM 1555 C GLU A 98 -18.171 1.411 10.043 1.00 0.00 C ATOM 1556 O GLU A 98 -17.724 0.370 9.563 1.00 0.00 O ATOM 1557 CB GLU A 98 -19.278 1.267 12.283 1.00 0.00 C ATOM 1558 CG GLU A 98 -20.523 2.054 11.913 1.00 0.00 C ATOM 1559 CD GLU A 98 -21.772 1.524 12.590 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -22.013 1.887 13.760 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -22.508 0.744 11.949 1.00 0.00 O ATOM 0 H GLU A 98 -18.446 3.754 11.281 1.00 0.00 H new ATOM 0 HA GLU A 98 -17.163 1.165 11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -19.453 0.210 12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.103 1.363 13.355 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.382 3.100 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.660 2.023 10.832 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.803 2.329 9.318 1.00 0.00 N ATOM 1569 CA PHE A 99 -19.013 2.159 7.885 1.00 0.00 C ATOM 1570 C PHE A 99 -17.689 2.226 7.130 1.00 0.00 C ATOM 1571 O PHE A 99 -16.696 2.741 7.643 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.969 3.231 7.357 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.721 4.593 7.940 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.285 4.956 9.152 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.925 5.512 7.274 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.060 6.208 9.691 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.696 6.766 7.808 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.265 7.115 9.018 1.00 0.00 C ATOM 0 H PHE A 99 -19.178 3.197 9.699 1.00 0.00 H new ATOM 0 HA PHE A 99 -19.455 1.176 7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.877 3.286 6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.994 2.932 7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.908 4.251 9.682 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.479 5.245 6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.505 6.477 10.637 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.073 7.473 7.280 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.088 8.095 9.436 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.683 1.701 5.909 1.00 0.00 N ATOM 1589 CA GLN A 100 -16.481 1.700 5.083 1.00 0.00 C ATOM 1590 C GLN A 100 -16.765 2.295 3.708 1.00 0.00 C ATOM 1591 O GLN A 100 -17.839 2.095 3.143 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.941 0.276 4.935 1.00 0.00 C ATOM 1593 CG GLN A 100 -17.022 -0.761 4.677 1.00 0.00 C ATOM 1594 CD GLN A 100 -16.453 -2.115 4.301 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -16.728 -2.639 3.221 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -15.655 -2.690 5.193 1.00 0.00 N ATOM 0 H GLN A 100 -18.497 1.271 5.470 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.730 2.317 5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.223 0.252 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.399 0.006 5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.640 -0.866 5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.674 -0.410 3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.454 -2.220 6.076 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.243 -3.602 4.996 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.793 3.029 3.175 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.958 3.643 1.870 1.00 0.00 C ATOM 1607 C GLY A 101 -15.756 2.657 0.736 1.00 0.00 C ATOM 1608 O GLY A 101 -15.251 1.555 0.946 1.00 0.00 O ATOM 0 H GLY A 101 -14.895 3.209 3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.956 4.075 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.248 4.463 1.765 1.00 0.00 H new ATOM 1612 N MET A 102 -16.154 3.054 -0.468 1.00 0.00 N ATOM 1613 CA MET A 102 -16.015 2.197 -1.640 1.00 0.00 C ATOM 1614 C MET A 102 -14.694 1.435 -1.602 1.00 0.00 C ATOM 1615 O MET A 102 -13.724 1.885 -0.990 1.00 0.00 O ATOM 1616 CB MET A 102 -16.100 3.029 -2.921 1.00 0.00 C ATOM 1617 CG MET A 102 -15.235 4.279 -2.892 1.00 0.00 C ATOM 1618 SD MET A 102 -15.602 5.409 -4.248 1.00 0.00 S ATOM 1619 CE MET A 102 -15.368 4.331 -5.659 1.00 0.00 C ATOM 0 H MET A 102 -16.575 3.963 -0.658 1.00 0.00 H new ATOM 0 HA MET A 102 -16.832 1.475 -1.630 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.801 2.410 -3.767 1.00 0.00 H new ATOM 0 HB3 MET A 102 -17.137 3.319 -3.088 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.382 4.796 -1.944 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.185 3.991 -2.939 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.348 4.926 -6.572 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.425 3.795 -5.555 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.189 3.615 -5.710 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.663 0.280 -2.258 1.00 0.00 N ATOM 1630 CA ASP A 103 -13.460 -0.544 -2.299 1.00 0.00 C ATOM 1631 C ASP A 103 -12.518 -0.075 -3.403 1.00 0.00 C ATOM 1632 O ASP A 103 -12.902 0.001 -4.570 1.00 0.00 O ATOM 1633 CB ASP A 103 -13.830 -2.012 -2.516 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.404 -2.267 -3.896 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -13.617 -2.548 -4.824 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -15.641 -2.185 -4.048 1.00 0.00 O ATOM 0 H ASP A 103 -15.457 -0.107 -2.769 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.947 -0.444 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.945 -2.632 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -14.556 -2.316 -1.762 1.00 0.00 H new ATOM 1641 N SER A 104 -11.283 0.240 -3.026 1.00 0.00 N ATOM 1642 CA SER A 104 -10.287 0.707 -3.984 1.00 0.00 C ATOM 1643 C SER A 104 -9.879 -0.415 -4.933 1.00 0.00 C ATOM 1644 O SER A 104 -10.293 -1.562 -4.769 1.00 0.00 O ATOM 1645 CB SER A 104 -9.056 1.244 -3.250 1.00 0.00 C ATOM 1646 OG SER A 104 -9.427 2.159 -2.234 1.00 0.00 O ATOM 0 H SER A 104 -10.948 0.180 -2.064 1.00 0.00 H new ATOM 0 HA SER A 104 -10.731 1.511 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.500 0.415 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.390 1.735 -3.960 1.00 0.00 H new ATOM 0 HG SER A 104 -9.255 1.760 -1.356 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.063 -0.074 -5.926 1.00 0.00 N ATOM 1653 CA GLU A 105 -8.599 -1.053 -6.902 1.00 0.00 C ATOM 1654 C GLU A 105 -7.718 -2.108 -6.239 1.00 0.00 C ATOM 1655 O GLU A 105 -6.523 -1.894 -6.033 1.00 0.00 O ATOM 1656 CB GLU A 105 -7.825 -0.359 -8.025 1.00 0.00 C ATOM 1657 CG GLU A 105 -8.636 0.693 -8.763 1.00 0.00 C ATOM 1658 CD GLU A 105 -7.763 1.711 -9.472 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -7.075 1.330 -10.442 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -7.769 2.889 -9.056 1.00 0.00 O ATOM 0 H GLU A 105 -8.710 0.871 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.473 -1.548 -7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.934 0.109 -7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.485 -1.110 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.282 0.203 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.286 1.207 -8.056 1.00 0.00 H new ATOM 1667 N SER A 106 -8.317 -3.247 -5.907 1.00 0.00 N ATOM 1668 CA SER A 106 -7.589 -4.334 -5.263 1.00 0.00 C ATOM 1669 C SER A 106 -6.414 -4.786 -6.124 1.00 0.00 C ATOM 1670 O SER A 106 -6.598 -5.288 -7.233 1.00 0.00 O ATOM 1671 CB SER A 106 -8.525 -5.515 -4.996 1.00 0.00 C ATOM 1672 OG SER A 106 -9.150 -5.949 -6.191 1.00 0.00 O ATOM 0 H SER A 106 -9.304 -3.441 -6.073 1.00 0.00 H new ATOM 0 HA SER A 106 -7.200 -3.966 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.961 -6.338 -4.557 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.284 -5.225 -4.269 1.00 0.00 H new ATOM 0 HG SER A 106 -8.508 -5.905 -6.930 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.204 -4.603 -5.606 1.00 0.00 N ATOM 1679 CA LYS A 107 -3.996 -4.991 -6.324 1.00 0.00 C ATOM 1680 C LYS A 107 -3.401 -6.267 -5.737 1.00 0.00 C ATOM 1681 O LYS A 107 -3.353 -6.439 -4.518 1.00 0.00 O ATOM 1682 CB LYS A 107 -2.963 -3.864 -6.275 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.434 -2.578 -6.932 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.326 -2.653 -8.446 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.253 -1.268 -9.069 1.00 0.00 C ATOM 1686 NZ LYS A 107 -3.333 -1.323 -10.555 1.00 0.00 N ATOM 0 H LYS A 107 -5.034 -4.188 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.266 -5.181 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.710 -3.659 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.049 -4.199 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.468 -2.382 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.839 -1.742 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.439 -3.224 -8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.186 -3.189 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.067 -0.653 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.322 -0.785 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.280 -0.359 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.542 -1.888 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.233 -1.760 -10.838 1.00 0.00 H new ATOM 1700 N THR A 108 -2.945 -7.159 -6.611 1.00 0.00 N ATOM 1701 CA THR A 108 -2.352 -8.419 -6.179 1.00 0.00 C ATOM 1702 C THR A 108 -0.831 -8.324 -6.136 1.00 0.00 C ATOM 1703 O THR A 108 -0.198 -7.908 -7.106 1.00 0.00 O ATOM 1704 CB THR A 108 -2.757 -9.578 -7.109 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.725 -9.146 -8.473 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.149 -10.086 -6.765 1.00 0.00 C ATOM 0 H THR A 108 -2.975 -7.032 -7.623 1.00 0.00 H new ATOM 0 HA THR A 108 -2.729 -8.619 -5.176 1.00 0.00 H new ATOM 0 HB THR A 108 -2.045 -10.392 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.982 -9.889 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.414 -10.904 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.162 -10.442 -5.735 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.870 -9.277 -6.879 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.251 -8.713 -5.005 1.00 0.00 N ATOM 1715 CA VAL A 109 1.197 -8.674 -4.837 1.00 0.00 C ATOM 1716 C VAL A 109 1.778 -10.080 -4.743 1.00 0.00 C ATOM 1717 O VAL A 109 1.538 -10.798 -3.772 1.00 0.00 O ATOM 1718 CB VAL A 109 1.594 -7.881 -3.577 1.00 0.00 C ATOM 1719 CG1 VAL A 109 0.965 -8.498 -2.338 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.108 -7.820 -3.442 1.00 0.00 C ATOM 0 H VAL A 109 -0.761 -9.058 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 109 1.604 -8.174 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 109 1.219 -6.862 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.257 -7.925 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.120 -8.485 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.307 -9.527 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.371 -7.256 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.507 -8.831 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.532 -7.329 -4.318 1.00 0.00 H new ATOM 1730 N ARG A 110 2.543 -10.467 -5.758 1.00 0.00 N ATOM 1731 CA ARG A 110 3.158 -11.789 -5.790 1.00 0.00 C ATOM 1732 C ARG A 110 4.540 -11.761 -5.144 1.00 0.00 C ATOM 1733 O ARG A 110 5.501 -11.258 -5.728 1.00 0.00 O ATOM 1734 CB ARG A 110 3.268 -12.289 -7.232 1.00 0.00 C ATOM 1735 CG ARG A 110 3.192 -13.801 -7.360 1.00 0.00 C ATOM 1736 CD ARG A 110 3.438 -14.253 -8.791 1.00 0.00 C ATOM 1737 NE ARG A 110 2.343 -13.876 -9.680 1.00 0.00 N ATOM 1738 CZ ARG A 110 2.438 -13.878 -11.005 1.00 0.00 C ATOM 1739 NH1 ARG A 110 3.572 -14.236 -11.591 1.00 0.00 N ATOM 1740 NH2 ARG A 110 1.396 -13.523 -11.747 1.00 0.00 N ATOM 0 H ARG A 110 2.752 -9.885 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 110 2.524 -12.471 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.469 -11.842 -7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.211 -11.944 -7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.929 -14.260 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.211 -14.146 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.367 -13.815 -9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.566 -15.335 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 110 1.456 -13.596 -9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.374 -14.511 -11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.642 -14.237 -12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.521 -13.248 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.470 -13.525 -12.764 1.00 0.00 H new ATOM 1754 N THR A 111 4.634 -12.306 -3.935 1.00 0.00 N ATOM 1755 CA THR A 111 5.897 -12.342 -3.209 1.00 0.00 C ATOM 1756 C THR A 111 6.843 -13.378 -3.804 1.00 0.00 C ATOM 1757 O THR A 111 6.652 -14.583 -3.631 1.00 0.00 O ATOM 1758 CB THR A 111 5.678 -12.660 -1.717 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.968 -13.896 -1.579 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.902 -11.545 -1.034 1.00 0.00 C ATOM 0 H THR A 111 3.850 -12.729 -3.438 1.00 0.00 H new ATOM 0 HA THR A 111 6.343 -11.352 -3.300 1.00 0.00 H new ATOM 0 HB THR A 111 6.654 -12.747 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.782 -14.062 -0.631 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.760 -11.792 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.459 -10.611 -1.115 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.930 -11.431 -1.514 1.00 0.00 H new ATOM 1768 N THR A 112 7.867 -12.903 -4.506 1.00 0.00 N ATOM 1769 CA THR A 112 8.844 -13.788 -5.128 1.00 0.00 C ATOM 1770 C THR A 112 9.334 -14.844 -4.143 1.00 0.00 C ATOM 1771 O THR A 112 9.052 -14.769 -2.948 1.00 0.00 O ATOM 1772 CB THR A 112 10.055 -13.001 -5.663 1.00 0.00 C ATOM 1773 OG1 THR A 112 10.890 -13.860 -6.448 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.864 -12.408 -4.518 1.00 0.00 C ATOM 0 H THR A 112 8.041 -11.910 -4.658 1.00 0.00 H new ATOM 0 HA THR A 112 8.341 -14.277 -5.962 1.00 0.00 H new ATOM 0 HB THR A 112 9.684 -12.187 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.657 -13.352 -6.786 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.714 -11.857 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.234 -11.732 -3.939 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.224 -13.210 -3.873 1.00 0.00 H new ATOM 1782 N GLU A 113 10.069 -15.827 -4.654 1.00 0.00 N ATOM 1783 CA GLU A 113 10.597 -16.899 -3.818 1.00 0.00 C ATOM 1784 C GLU A 113 12.102 -17.052 -4.017 1.00 0.00 C ATOM 1785 O GLU A 113 12.823 -17.441 -3.098 1.00 0.00 O ATOM 1786 CB GLU A 113 9.892 -18.219 -4.137 1.00 0.00 C ATOM 1787 CG GLU A 113 10.033 -18.649 -5.587 1.00 0.00 C ATOM 1788 CD GLU A 113 9.714 -20.117 -5.794 1.00 0.00 C ATOM 1789 OE1 GLU A 113 10.021 -20.925 -4.892 1.00 0.00 O ATOM 1790 OE2 GLU A 113 9.156 -20.459 -6.858 1.00 0.00 O ATOM 0 H GLU A 113 10.312 -15.903 -5.642 1.00 0.00 H new ATOM 0 HA GLU A 113 10.410 -16.639 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.295 -19.001 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.833 -18.123 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.370 -18.046 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.051 -18.451 -5.923 1.00 0.00 H new ATOM 1797 N GLU A 114 12.568 -16.745 -5.223 1.00 0.00 N ATOM 1798 CA GLU A 114 13.987 -16.850 -5.543 1.00 0.00 C ATOM 1799 C GLU A 114 14.650 -15.475 -5.536 1.00 0.00 C ATOM 1800 O GLU A 114 14.177 -14.543 -6.186 1.00 0.00 O ATOM 1801 CB GLU A 114 14.177 -17.513 -6.908 1.00 0.00 C ATOM 1802 CG GLU A 114 15.634 -17.737 -7.279 1.00 0.00 C ATOM 1803 CD GLU A 114 15.802 -18.732 -8.410 1.00 0.00 C ATOM 1804 OE1 GLU A 114 15.083 -19.753 -8.415 1.00 0.00 O ATOM 1805 OE2 GLU A 114 16.652 -18.489 -9.292 1.00 0.00 O ATOM 0 H GLU A 114 11.984 -16.422 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 114 14.461 -17.466 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 114 13.658 -18.472 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 114 13.708 -16.893 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.082 -16.786 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 114 16.177 -18.093 -6.404 1.00 0.00 H new ATOM 1812 N SER A 115 15.747 -15.357 -4.795 1.00 0.00 N ATOM 1813 CA SER A 115 16.473 -14.096 -4.699 1.00 0.00 C ATOM 1814 C SER A 115 17.667 -14.083 -5.649 1.00 0.00 C ATOM 1815 O SER A 115 18.265 -15.122 -5.926 1.00 0.00 O ATOM 1816 CB SER A 115 16.946 -13.863 -3.263 1.00 0.00 C ATOM 1817 OG SER A 115 17.767 -12.712 -3.177 1.00 0.00 O ATOM 0 H SER A 115 16.153 -16.119 -4.252 1.00 0.00 H new ATOM 0 HA SER A 115 15.795 -13.292 -4.985 1.00 0.00 H new ATOM 0 HB2 SER A 115 16.083 -13.748 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 115 17.499 -14.735 -2.913 1.00 0.00 H new ATOM 0 HG SER A 115 18.055 -12.584 -2.249 1.00 0.00 H new ATOM 1823 N GLY A 116 18.008 -12.897 -6.144 1.00 0.00 N ATOM 1824 CA GLY A 116 19.129 -12.770 -7.058 1.00 0.00 C ATOM 1825 C GLY A 116 19.429 -11.326 -7.409 1.00 0.00 C ATOM 1826 O GLY A 116 20.000 -10.577 -6.616 1.00 0.00 O ATOM 0 H GLY A 116 17.529 -12.023 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 116 20.013 -13.223 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 116 18.915 -13.326 -7.971 1.00 0.00 H new ATOM 1830 N PRO A 117 19.040 -10.916 -8.626 1.00 0.00 N ATOM 1831 CA PRO A 117 19.262 -9.550 -9.109 1.00 0.00 C ATOM 1832 C PRO A 117 18.394 -8.529 -8.380 1.00 0.00 C ATOM 1833 O PRO A 117 17.180 -8.477 -8.580 1.00 0.00 O ATOM 1834 CB PRO A 117 18.869 -9.628 -10.586 1.00 0.00 C ATOM 1835 CG PRO A 117 17.908 -10.764 -10.663 1.00 0.00 C ATOM 1836 CD PRO A 117 18.354 -11.754 -9.623 1.00 0.00 C ATOM 0 HA PRO A 117 20.288 -9.221 -8.943 1.00 0.00 H new ATOM 0 HB2 PRO A 117 18.411 -8.698 -10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 117 19.739 -9.802 -11.219 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.889 -10.427 -10.470 1.00 0.00 H new ATOM 0 HG3 PRO A 117 17.913 -11.213 -11.656 1.00 0.00 H new ATOM 0 HD2 PRO A 117 17.509 -12.287 -9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 117 19.022 -12.506 -10.044 1.00 0.00 H new ATOM 1844 N SER A 118 19.023 -7.720 -7.534 1.00 0.00 N ATOM 1845 CA SER A 118 18.307 -6.703 -6.773 1.00 0.00 C ATOM 1846 C SER A 118 17.710 -5.650 -7.701 1.00 0.00 C ATOM 1847 O SER A 118 18.433 -4.947 -8.406 1.00 0.00 O ATOM 1848 CB SER A 118 19.245 -6.037 -5.764 1.00 0.00 C ATOM 1849 OG SER A 118 20.240 -5.272 -6.421 1.00 0.00 O ATOM 0 H SER A 118 20.027 -7.749 -7.358 1.00 0.00 H new ATOM 0 HA SER A 118 17.494 -7.191 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 118 18.670 -5.395 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 118 19.718 -6.799 -5.144 1.00 0.00 H new ATOM 0 HG SER A 118 19.878 -4.914 -7.258 1.00 0.00 H new ATOM 1855 N SER A 119 16.384 -5.549 -7.695 1.00 0.00 N ATOM 1856 CA SER A 119 15.688 -4.585 -8.538 1.00 0.00 C ATOM 1857 C SER A 119 16.189 -3.168 -8.273 1.00 0.00 C ATOM 1858 O SER A 119 16.747 -2.883 -7.214 1.00 0.00 O ATOM 1859 CB SER A 119 14.179 -4.658 -8.294 1.00 0.00 C ATOM 1860 OG SER A 119 13.825 -4.003 -7.089 1.00 0.00 O ATOM 0 H SER A 119 15.771 -6.123 -7.116 1.00 0.00 H new ATOM 0 HA SER A 119 15.894 -4.835 -9.579 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.650 -4.200 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.865 -5.701 -8.251 1.00 0.00 H new ATOM 0 HG SER A 119 12.856 -4.062 -6.957 1.00 0.00 H new ATOM 1866 N GLY A 120 15.986 -2.283 -9.245 1.00 0.00 N ATOM 1867 CA GLY A 120 16.423 -0.907 -9.098 1.00 0.00 C ATOM 1868 C GLY A 120 16.265 -0.397 -7.679 1.00 0.00 C ATOM 1869 O GLY A 120 17.218 -0.407 -6.900 1.00 0.00 O ATOM 0 H GLY A 120 15.527 -2.495 -10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 120 17.469 -0.827 -9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 120 15.850 -0.273 -9.775 1.00 0.00 H new TER 1873 GLY A 120