USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 779 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 41 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.343) USER MOD Set 1.2: A 56 GLN : amide:sc= 0.569 K(o=1.8,f=-2.9) USER MOD Set 2.1: A 39 SER OG : rot -174:sc= 1.39 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 166:sc= 0.0971 (180deg=-0.457) USER MOD Set 3.1: A 36 THR OG1 : rot 124:sc= 1.12 USER MOD Set 3.2: A 38 SER OG : rot 180:sc= 0.955 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.148 (180deg=-0.626) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0974) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.063) USER MOD Single : A 5 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 8 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.14) USER MOD Single : A 9 SER OG : rot 180:sc= 0.102 USER MOD Single : A 10 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 1.23 (180deg=0.962) USER MOD Single : A 17 HIS : no HD1:sc= -2.25! C(o=-2.3!,f=-4.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.07) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -134:sc= 1.15 (180deg=-1.12) USER MOD Single : A 26 GLN : amide:sc= -2.41! C(o=-2.4!,f=-5.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 45 HIS : no HE2:sc= 0.644 K(o=0.64,f=-2.1!) USER MOD Single : A 49 ASN : amide:sc= -0.328 K(o=-0.33,f=-1) USER MOD Single : A 50 THR OG1 : rot -130:sc= -0.0277 USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= -0.0025 (180deg=-0.0702) USER MOD Single : A 55 MET CE :methyl 162:sc= -1 (180deg=-2.14!) USER MOD Single : A 58 TYR OH : rot -143:sc= 1.32 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0788 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 75:sc= 1.26 USER MOD Single : A 70 ASN : amide:sc= 0.814 K(o=0.81,f=-0.093) USER MOD Single : A 72 ASN : amide:sc= 0.689 K(o=0.69,f=-0.1) USER MOD Single : A 74 TYR OH : rot -90:sc= -1.4 USER MOD Single : A 77 THR OG1 : rot 180:sc=0.000625 USER MOD Single : A 80 SER OG : rot -95:sc= -0.815 USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.0885 (180deg=-0.494) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.109 K(o=0.11,f=-8!) USER MOD Single : A 93 LYS NZ :NH3+ -137:sc= 1.03 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.289 -12.952 5.281 1.00 0.00 N ATOM 2 CA MET A 1 -12.807 -12.004 6.312 1.00 0.00 C ATOM 3 C MET A 1 -13.918 -11.680 7.303 1.00 0.00 C ATOM 4 O MET A 1 -13.677 -11.572 8.507 1.00 0.00 O ATOM 5 CB MET A 1 -12.293 -10.712 5.665 1.00 0.00 C ATOM 6 CG MET A 1 -11.029 -10.902 4.843 1.00 0.00 C ATOM 7 SD MET A 1 -9.646 -11.500 5.833 1.00 0.00 S ATOM 8 CE MET A 1 -9.458 -10.157 7.010 1.00 0.00 C ATOM 0 H1 MET A 1 -12.488 -13.266 4.697 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.725 -13.776 5.743 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.993 -12.481 4.678 1.00 0.00 H new ATOM 0 HA MET A 1 -11.984 -12.479 6.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.074 -10.301 5.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.101 -9.976 6.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.227 -11.608 4.036 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.756 -9.955 4.378 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.480 -10.225 7.486 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.544 -9.203 6.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.237 -10.227 7.770 1.00 0.00 H new ATOM 20 N GLY A 2 -15.134 -11.518 6.799 1.00 0.00 N ATOM 21 CA GLY A 2 -16.258 -11.269 7.676 1.00 0.00 C ATOM 22 C GLY A 2 -17.395 -10.563 6.969 1.00 0.00 C ATOM 23 O GLY A 2 -17.204 -9.985 5.899 1.00 0.00 O ATOM 0 H GLY A 2 -15.360 -11.554 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.617 -12.216 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.929 -10.665 8.522 1.00 0.00 H new ATOM 27 N HIS A 3 -18.576 -10.615 7.565 1.00 0.00 N ATOM 28 CA HIS A 3 -19.756 -9.971 7.000 1.00 0.00 C ATOM 29 C HIS A 3 -20.278 -8.921 7.964 1.00 0.00 C ATOM 30 O HIS A 3 -20.485 -9.208 9.142 1.00 0.00 O ATOM 31 CB HIS A 3 -20.865 -10.992 6.727 1.00 0.00 C ATOM 32 CG HIS A 3 -20.518 -12.013 5.693 1.00 0.00 C ATOM 33 ND1 HIS A 3 -20.998 -11.967 4.404 1.00 0.00 N ATOM 34 CD2 HIS A 3 -19.741 -13.117 5.766 1.00 0.00 C ATOM 35 CE1 HIS A 3 -20.532 -13.000 3.728 1.00 0.00 C ATOM 36 NE2 HIS A 3 -19.766 -13.712 4.534 1.00 0.00 N ATOM 0 H HIS A 3 -18.745 -11.100 8.446 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.467 -9.506 6.057 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -21.110 -11.503 7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.762 -10.461 6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.201 -13.464 6.635 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -20.741 -13.225 2.693 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -19.272 -14.568 4.279 1.00 0.00 H new ATOM 45 N HIS A 4 -20.498 -7.708 7.475 1.00 0.00 N ATOM 46 CA HIS A 4 -21.017 -6.648 8.327 1.00 0.00 C ATOM 47 C HIS A 4 -22.542 -6.680 8.365 1.00 0.00 C ATOM 48 O HIS A 4 -23.219 -5.791 7.853 1.00 0.00 O ATOM 49 CB HIS A 4 -20.484 -5.256 7.924 1.00 0.00 C ATOM 50 CG HIS A 4 -20.589 -4.904 6.463 1.00 0.00 C ATOM 51 ND1 HIS A 4 -19.507 -4.915 5.613 1.00 0.00 N ATOM 52 CD2 HIS A 4 -21.639 -4.479 5.719 1.00 0.00 C ATOM 53 CE1 HIS A 4 -19.884 -4.509 4.416 1.00 0.00 C ATOM 54 NE2 HIS A 4 -21.175 -4.237 4.448 1.00 0.00 N ATOM 0 H HIS A 4 -20.328 -7.436 6.507 1.00 0.00 H new ATOM 0 HA HIS A 4 -20.651 -6.835 9.337 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -21.023 -4.503 8.498 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -19.436 -5.191 8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -22.655 -4.353 6.062 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -19.242 -4.415 3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -21.734 -3.904 3.663 1.00 0.00 H new ATOM 63 N HIS A 5 -23.074 -7.740 8.965 1.00 0.00 N ATOM 64 CA HIS A 5 -24.516 -7.877 9.132 1.00 0.00 C ATOM 65 C HIS A 5 -24.968 -7.050 10.331 1.00 0.00 C ATOM 66 O HIS A 5 -26.100 -6.569 10.384 1.00 0.00 O ATOM 67 CB HIS A 5 -24.935 -9.353 9.290 1.00 0.00 C ATOM 68 CG HIS A 5 -24.451 -10.023 10.547 1.00 0.00 C ATOM 69 ND1 HIS A 5 -25.248 -10.198 11.657 1.00 0.00 N ATOM 70 CD2 HIS A 5 -23.255 -10.581 10.857 1.00 0.00 C ATOM 71 CE1 HIS A 5 -24.566 -10.826 12.593 1.00 0.00 C ATOM 72 NE2 HIS A 5 -23.355 -11.074 12.136 1.00 0.00 N ATOM 0 H HIS A 5 -22.529 -8.515 9.343 1.00 0.00 H new ATOM 0 HA HIS A 5 -25.005 -7.504 8.232 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -26.023 -9.411 9.262 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.564 -9.914 8.432 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -22.386 -10.629 10.218 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -24.937 -11.093 13.571 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -22.614 -11.553 12.647 1.00 0.00 H new ATOM 81 N HIS A 6 -24.062 -6.881 11.285 1.00 0.00 N ATOM 82 CA HIS A 6 -24.313 -6.027 12.431 1.00 0.00 C ATOM 83 C HIS A 6 -23.908 -4.607 12.070 1.00 0.00 C ATOM 84 O HIS A 6 -22.745 -4.356 11.750 1.00 0.00 O ATOM 85 CB HIS A 6 -23.531 -6.517 13.653 1.00 0.00 C ATOM 86 CG HIS A 6 -23.970 -5.900 14.947 1.00 0.00 C ATOM 87 ND1 HIS A 6 -24.699 -6.589 15.892 1.00 0.00 N ATOM 88 CD2 HIS A 6 -23.771 -4.662 15.459 1.00 0.00 C ATOM 89 CE1 HIS A 6 -24.930 -5.806 16.924 1.00 0.00 C ATOM 90 NE2 HIS A 6 -24.378 -4.634 16.689 1.00 0.00 N ATOM 0 H HIS A 6 -23.145 -7.327 11.285 1.00 0.00 H new ATOM 0 HA HIS A 6 -25.372 -6.056 12.687 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.633 -7.600 13.726 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.472 -6.306 13.502 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.236 -3.851 14.988 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -25.479 -6.079 17.813 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -24.398 -3.833 17.320 1.00 0.00 H new ATOM 99 N HIS A 7 -24.873 -3.696 12.119 1.00 0.00 N ATOM 100 CA HIS A 7 -24.689 -2.332 11.634 1.00 0.00 C ATOM 101 C HIS A 7 -24.416 -2.381 10.134 1.00 0.00 C ATOM 102 O HIS A 7 -23.315 -2.075 9.666 1.00 0.00 O ATOM 103 CB HIS A 7 -23.550 -1.623 12.376 1.00 0.00 C ATOM 104 CG HIS A 7 -23.668 -0.133 12.372 1.00 0.00 C ATOM 105 ND1 HIS A 7 -22.759 0.700 11.755 1.00 0.00 N ATOM 106 CD2 HIS A 7 -24.592 0.676 12.938 1.00 0.00 C ATOM 107 CE1 HIS A 7 -23.120 1.954 11.945 1.00 0.00 C ATOM 108 NE2 HIS A 7 -24.231 1.968 12.657 1.00 0.00 N ATOM 0 H HIS A 7 -25.803 -3.881 12.495 1.00 0.00 H new ATOM 0 HA HIS A 7 -25.596 -1.757 11.824 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -23.526 -1.974 13.408 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -22.600 -1.905 11.921 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -25.455 0.362 13.506 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -22.595 2.824 11.579 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -24.738 2.803 12.950 1.00 0.00 H new ATOM 117 N HIS A 8 -25.436 -2.784 9.392 1.00 0.00 N ATOM 118 CA HIS A 8 -25.289 -3.089 7.976 1.00 0.00 C ATOM 119 C HIS A 8 -25.559 -1.872 7.105 1.00 0.00 C ATOM 120 O HIS A 8 -25.990 -0.824 7.587 1.00 0.00 O ATOM 121 CB HIS A 8 -26.220 -4.244 7.565 1.00 0.00 C ATOM 122 CG HIS A 8 -27.681 -3.994 7.822 1.00 0.00 C ATOM 123 ND1 HIS A 8 -28.517 -3.367 6.918 1.00 0.00 N ATOM 124 CD2 HIS A 8 -28.456 -4.305 8.889 1.00 0.00 C ATOM 125 CE1 HIS A 8 -29.735 -3.303 7.420 1.00 0.00 C ATOM 126 NE2 HIS A 8 -29.726 -3.866 8.612 1.00 0.00 N ATOM 0 H HIS A 8 -26.383 -2.908 9.750 1.00 0.00 H new ATOM 0 HA HIS A 8 -24.254 -3.393 7.820 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -26.081 -4.445 6.503 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -25.919 -5.144 8.101 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -28.134 -4.806 9.790 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -30.595 -2.863 6.936 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -30.533 -3.960 9.229 1.00 0.00 H new ATOM 135 N SER A 9 -25.299 -2.036 5.817 1.00 0.00 N ATOM 136 CA SER A 9 -25.535 -0.999 4.836 1.00 0.00 C ATOM 137 C SER A 9 -25.673 -1.639 3.460 1.00 0.00 C ATOM 138 O SER A 9 -25.132 -2.723 3.214 1.00 0.00 O ATOM 139 CB SER A 9 -24.384 0.013 4.837 1.00 0.00 C ATOM 140 OG SER A 9 -24.628 1.077 3.932 1.00 0.00 O ATOM 0 H SER A 9 -24.917 -2.897 5.426 1.00 0.00 H new ATOM 0 HA SER A 9 -26.453 -0.468 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 9 -24.250 0.412 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 9 -23.455 -0.490 4.567 1.00 0.00 H new ATOM 0 HG SER A 9 -23.877 1.706 3.957 1.00 0.00 H new ATOM 146 N HIS A 10 -26.411 -0.989 2.578 1.00 0.00 N ATOM 147 CA HIS A 10 -26.577 -1.480 1.222 1.00 0.00 C ATOM 148 C HIS A 10 -25.638 -0.720 0.293 1.00 0.00 C ATOM 149 O HIS A 10 -25.486 -1.054 -0.883 1.00 0.00 O ATOM 150 CB HIS A 10 -28.031 -1.307 0.775 1.00 0.00 C ATOM 151 CG HIS A 10 -28.437 -2.215 -0.346 1.00 0.00 C ATOM 152 ND1 HIS A 10 -29.307 -3.265 -0.171 1.00 0.00 N ATOM 153 CD2 HIS A 10 -28.107 -2.219 -1.659 1.00 0.00 C ATOM 154 CE1 HIS A 10 -29.497 -3.874 -1.325 1.00 0.00 C ATOM 155 NE2 HIS A 10 -28.780 -3.260 -2.244 1.00 0.00 N ATOM 0 H HIS A 10 -26.905 -0.119 2.777 1.00 0.00 H new ATOM 0 HA HIS A 10 -26.332 -2.541 1.186 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -28.686 -1.485 1.628 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -28.184 -0.273 0.465 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -27.438 -1.530 -2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -30.133 -4.731 -1.489 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -28.733 -3.517 -3.230 1.00 0.00 H new ATOM 164 N ALA A 11 -24.998 0.301 0.843 1.00 0.00 N ATOM 165 CA ALA A 11 -24.077 1.119 0.082 1.00 0.00 C ATOM 166 C ALA A 11 -22.680 0.521 0.136 1.00 0.00 C ATOM 167 O ALA A 11 -22.257 -0.005 1.168 1.00 0.00 O ATOM 168 CB ALA A 11 -24.071 2.548 0.609 1.00 0.00 C ATOM 0 H ALA A 11 -25.103 0.580 1.818 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.405 1.142 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -23.373 3.148 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -25.072 2.971 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -23.763 2.549 1.655 1.00 0.00 H new ATOM 174 N ALA A 12 -21.979 0.585 -0.980 1.00 0.00 N ATOM 175 CA ALA A 12 -20.622 0.082 -1.054 1.00 0.00 C ATOM 176 C ALA A 12 -19.658 1.086 -0.444 1.00 0.00 C ATOM 177 O ALA A 12 -19.920 2.290 -0.440 1.00 0.00 O ATOM 178 CB ALA A 12 -20.242 -0.214 -2.495 1.00 0.00 C ATOM 0 H ALA A 12 -22.330 0.983 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.563 -0.847 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.220 -0.591 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -20.920 -0.963 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.313 0.700 -3.085 1.00 0.00 H new ATOM 184 N VAL A 13 -18.551 0.586 0.076 1.00 0.00 N ATOM 185 CA VAL A 13 -17.537 1.442 0.672 1.00 0.00 C ATOM 186 C VAL A 13 -16.717 2.127 -0.416 1.00 0.00 C ATOM 187 O VAL A 13 -16.817 1.777 -1.596 1.00 0.00 O ATOM 188 CB VAL A 13 -16.598 0.656 1.613 1.00 0.00 C ATOM 189 CG1 VAL A 13 -17.375 0.075 2.785 1.00 0.00 C ATOM 190 CG2 VAL A 13 -15.862 -0.443 0.863 1.00 0.00 C ATOM 0 H VAL A 13 -18.330 -0.410 0.098 1.00 0.00 H new ATOM 0 HA VAL A 13 -18.057 2.193 1.267 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.855 1.353 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.695 -0.475 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.842 0.883 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -18.145 -0.600 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.209 -0.979 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.584 -1.137 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.265 -0.002 0.065 1.00 0.00 H new ATOM 200 N ARG A 14 -15.921 3.104 -0.024 1.00 0.00 N ATOM 201 CA ARG A 14 -15.096 3.828 -0.973 1.00 0.00 C ATOM 202 C ARG A 14 -13.727 3.204 -1.080 1.00 0.00 C ATOM 203 O ARG A 14 -12.881 3.367 -0.198 1.00 0.00 O ATOM 204 CB ARG A 14 -14.974 5.298 -0.590 1.00 0.00 C ATOM 205 CG ARG A 14 -16.148 6.123 -1.067 1.00 0.00 C ATOM 206 CD ARG A 14 -16.090 6.373 -2.566 1.00 0.00 C ATOM 207 NE ARG A 14 -14.917 7.153 -2.965 1.00 0.00 N ATOM 208 CZ ARG A 14 -14.913 8.020 -3.982 1.00 0.00 C ATOM 209 NH1 ARG A 14 -16.032 8.276 -4.655 1.00 0.00 N ATOM 210 NH2 ARG A 14 -13.793 8.645 -4.314 1.00 0.00 N ATOM 0 H ARG A 14 -15.828 3.414 0.943 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.584 3.767 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -14.892 5.382 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.054 5.704 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.077 5.610 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.160 7.077 -0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -16.080 5.417 -3.089 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -16.993 6.898 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 14 -14.054 7.028 -2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.901 7.809 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.021 8.939 -5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.935 8.464 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.789 9.307 -5.090 1.00 0.00 H new ATOM 224 N LYS A 15 -13.523 2.473 -2.154 1.00 0.00 N ATOM 225 CA LYS A 15 -12.212 1.939 -2.451 1.00 0.00 C ATOM 226 C LYS A 15 -11.415 3.029 -3.122 1.00 0.00 C ATOM 227 O LYS A 15 -11.799 3.539 -4.176 1.00 0.00 O ATOM 228 CB LYS A 15 -12.260 0.705 -3.353 1.00 0.00 C ATOM 229 CG LYS A 15 -12.872 -0.533 -2.708 1.00 0.00 C ATOM 230 CD LYS A 15 -14.374 -0.403 -2.518 1.00 0.00 C ATOM 231 CE LYS A 15 -15.107 -0.340 -3.847 1.00 0.00 C ATOM 232 NZ LYS A 15 -16.563 -0.117 -3.658 1.00 0.00 N ATOM 0 H LYS A 15 -14.245 2.235 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.751 1.618 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.829 0.949 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.246 0.467 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.661 -1.405 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.400 -0.707 -1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.742 -1.251 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.591 0.495 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.691 0.464 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.949 -1.269 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.959 0.332 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.036 -1.029 -3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.716 0.503 -2.837 1.00 0.00 H new ATOM 246 N ILE A 16 -10.321 3.385 -2.509 1.00 0.00 N ATOM 247 CA ILE A 16 -9.571 4.544 -2.927 1.00 0.00 C ATOM 248 C ILE A 16 -8.499 4.168 -3.926 1.00 0.00 C ATOM 249 O ILE A 16 -7.924 3.076 -3.873 1.00 0.00 O ATOM 250 CB ILE A 16 -8.947 5.275 -1.724 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.049 4.329 -0.917 1.00 0.00 C ATOM 252 CG2 ILE A 16 -10.050 5.848 -0.846 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.388 4.986 0.275 1.00 0.00 C ATOM 0 H ILE A 16 -9.924 2.887 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.271 5.225 -3.411 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.325 6.091 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.645 3.484 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.277 3.927 -1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.606 6.365 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.648 6.551 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.687 5.039 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.769 4.256 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.765 5.813 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.153 5.363 0.953 1.00 0.00 H new ATOM 265 N HIS A 17 -8.253 5.068 -4.853 1.00 0.00 N ATOM 266 CA HIS A 17 -7.255 4.849 -5.876 1.00 0.00 C ATOM 267 C HIS A 17 -5.906 5.341 -5.389 1.00 0.00 C ATOM 268 O HIS A 17 -5.599 6.532 -5.459 1.00 0.00 O ATOM 269 CB HIS A 17 -7.654 5.538 -7.185 1.00 0.00 C ATOM 270 CG HIS A 17 -8.875 4.944 -7.817 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.060 5.626 -7.961 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.092 3.713 -8.329 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.951 4.845 -8.537 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.392 3.672 -8.770 1.00 0.00 N ATOM 0 H HIS A 17 -8.735 5.965 -4.919 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.185 3.780 -6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.831 6.596 -6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.823 5.477 -7.888 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.374 2.908 -8.382 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.968 5.118 -8.778 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.849 2.870 -9.204 1.00 0.00 H new ATOM 283 N VAL A 18 -5.123 4.421 -4.850 1.00 0.00 N ATOM 284 CA VAL A 18 -3.799 4.744 -4.353 1.00 0.00 C ATOM 285 C VAL A 18 -2.787 4.697 -5.483 1.00 0.00 C ATOM 286 O VAL A 18 -2.855 3.833 -6.360 1.00 0.00 O ATOM 287 CB VAL A 18 -3.351 3.784 -3.230 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.278 3.892 -2.031 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.294 2.350 -3.741 1.00 0.00 C ATOM 0 H VAL A 18 -5.385 3.441 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.850 5.751 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.349 4.072 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.945 3.207 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.262 4.913 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.293 3.633 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.976 1.689 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.282 2.048 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.583 2.285 -4.565 1.00 0.00 H new ATOM 299 N THR A 19 -1.855 5.622 -5.465 1.00 0.00 N ATOM 300 CA THR A 19 -0.830 5.661 -6.478 1.00 0.00 C ATOM 301 C THR A 19 0.412 4.935 -5.978 1.00 0.00 C ATOM 302 O THR A 19 1.101 5.415 -5.080 1.00 0.00 O ATOM 303 CB THR A 19 -0.476 7.112 -6.841 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.669 7.846 -7.152 1.00 0.00 O ATOM 305 CG2 THR A 19 0.467 7.153 -8.028 1.00 0.00 C ATOM 0 H THR A 19 -1.787 6.356 -4.760 1.00 0.00 H new ATOM 0 HA THR A 19 -1.207 5.165 -7.373 1.00 0.00 H new ATOM 0 HB THR A 19 0.018 7.568 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.435 8.770 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.705 8.189 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.384 6.618 -7.783 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.009 6.681 -8.888 1.00 0.00 H new ATOM 313 N VAL A 20 0.691 3.779 -6.557 1.00 0.00 N ATOM 314 CA VAL A 20 1.812 2.964 -6.121 1.00 0.00 C ATOM 315 C VAL A 20 3.080 3.356 -6.871 1.00 0.00 C ATOM 316 O VAL A 20 3.144 3.266 -8.101 1.00 0.00 O ATOM 317 CB VAL A 20 1.531 1.457 -6.314 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.709 0.628 -5.831 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.258 1.046 -5.584 1.00 0.00 C ATOM 0 H VAL A 20 0.156 3.384 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 20 1.953 3.147 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 20 1.390 1.272 -7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.492 -0.431 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.600 0.897 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.881 0.822 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.080 -0.019 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.368 1.249 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.586 1.614 -5.976 1.00 0.00 H new ATOM 329 N LYS A 21 4.073 3.813 -6.119 1.00 0.00 N ATOM 330 CA LYS A 21 5.333 4.250 -6.694 1.00 0.00 C ATOM 331 C LYS A 21 6.364 3.128 -6.646 1.00 0.00 C ATOM 332 O LYS A 21 7.001 2.902 -5.615 1.00 0.00 O ATOM 333 CB LYS A 21 5.876 5.466 -5.939 1.00 0.00 C ATOM 334 CG LYS A 21 4.982 6.694 -5.990 1.00 0.00 C ATOM 335 CD LYS A 21 4.913 7.280 -7.389 1.00 0.00 C ATOM 336 CE LYS A 21 4.062 8.540 -7.425 1.00 0.00 C ATOM 337 NZ LYS A 21 4.672 9.663 -6.663 1.00 0.00 N ATOM 0 H LYS A 21 4.027 3.890 -5.103 1.00 0.00 H new ATOM 0 HA LYS A 21 5.149 4.524 -7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.032 5.190 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.852 5.726 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.979 6.428 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.358 7.447 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.920 7.510 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.499 6.540 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.915 8.846 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.076 8.320 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.045 10.492 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.804 9.378 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.594 9.905 -7.079 1.00 0.00 H new ATOM 351 N PHE A 22 6.499 2.414 -7.751 1.00 0.00 N ATOM 352 CA PHE A 22 7.532 1.400 -7.880 1.00 0.00 C ATOM 353 C PHE A 22 8.743 1.983 -8.598 1.00 0.00 C ATOM 354 O PHE A 22 8.608 2.923 -9.381 1.00 0.00 O ATOM 355 CB PHE A 22 7.005 0.182 -8.648 1.00 0.00 C ATOM 356 CG PHE A 22 6.664 -0.983 -7.766 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.459 -1.027 -7.089 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.555 -2.032 -7.612 1.00 0.00 C ATOM 359 CE1 PHE A 22 5.147 -2.097 -6.272 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.248 -3.105 -6.797 1.00 0.00 C ATOM 361 CZ PHE A 22 6.042 -3.137 -6.125 1.00 0.00 C ATOM 0 H PHE A 22 5.905 2.518 -8.573 1.00 0.00 H new ATOM 0 HA PHE A 22 7.826 1.077 -6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.118 0.473 -9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.754 -0.131 -9.375 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.754 -0.216 -7.200 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.500 -2.011 -8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.203 -2.119 -5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.951 -3.918 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.800 -3.974 -5.486 1.00 0.00 H new ATOM 371 N PRO A 23 9.944 1.439 -8.334 1.00 0.00 N ATOM 372 CA PRO A 23 11.176 1.884 -9.002 1.00 0.00 C ATOM 373 C PRO A 23 11.105 1.698 -10.518 1.00 0.00 C ATOM 374 O PRO A 23 11.805 2.371 -11.273 1.00 0.00 O ATOM 375 CB PRO A 23 12.267 0.986 -8.400 1.00 0.00 C ATOM 376 CG PRO A 23 11.685 0.466 -7.127 1.00 0.00 C ATOM 377 CD PRO A 23 10.203 0.367 -7.359 1.00 0.00 C ATOM 0 HA PRO A 23 11.359 2.947 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.525 0.172 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.182 1.548 -8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.106 -0.507 -6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.906 1.135 -6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.921 -0.610 -7.750 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.640 0.516 -6.438 1.00 0.00 H new ATOM 385 N SER A 24 10.247 0.788 -10.954 1.00 0.00 N ATOM 386 CA SER A 24 10.075 0.519 -12.370 1.00 0.00 C ATOM 387 C SER A 24 9.086 1.502 -13.000 1.00 0.00 C ATOM 388 O SER A 24 9.442 2.267 -13.896 1.00 0.00 O ATOM 389 CB SER A 24 9.582 -0.913 -12.559 1.00 0.00 C ATOM 390 OG SER A 24 10.326 -1.817 -11.757 1.00 0.00 O ATOM 0 H SER A 24 9.658 0.222 -10.343 1.00 0.00 H new ATOM 0 HA SER A 24 11.037 0.644 -12.867 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.525 -0.975 -12.298 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.669 -1.196 -13.608 1.00 0.00 H new ATOM 0 HG SER A 24 9.991 -2.728 -11.894 1.00 0.00 H new ATOM 396 N LYS A 25 7.849 1.492 -12.516 1.00 0.00 N ATOM 397 CA LYS A 25 6.803 2.329 -13.089 1.00 0.00 C ATOM 398 C LYS A 25 5.796 2.738 -12.021 1.00 0.00 C ATOM 399 O LYS A 25 5.852 2.262 -10.887 1.00 0.00 O ATOM 400 CB LYS A 25 6.074 1.596 -14.227 1.00 0.00 C ATOM 401 CG LYS A 25 5.144 0.482 -13.762 1.00 0.00 C ATOM 402 CD LYS A 25 5.893 -0.786 -13.403 1.00 0.00 C ATOM 403 CE LYS A 25 4.946 -1.840 -12.860 1.00 0.00 C ATOM 404 NZ LYS A 25 5.611 -3.156 -12.691 1.00 0.00 N ATOM 0 H LYS A 25 7.547 0.915 -11.731 1.00 0.00 H new ATOM 0 HA LYS A 25 7.279 3.222 -13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.495 2.322 -14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.816 1.174 -14.906 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.578 0.824 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.422 0.263 -14.549 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.406 -1.172 -14.284 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.659 -0.563 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.549 -1.509 -11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.098 -1.947 -13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.002 -3.905 -13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.520 -3.153 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.777 -3.334 -11.680 1.00 0.00 H new ATOM 418 N GLN A 26 4.871 3.607 -12.403 1.00 0.00 N ATOM 419 CA GLN A 26 3.824 4.066 -11.506 1.00 0.00 C ATOM 420 C GLN A 26 2.474 3.532 -11.963 1.00 0.00 C ATOM 421 O GLN A 26 2.141 3.599 -13.148 1.00 0.00 O ATOM 422 CB GLN A 26 3.789 5.594 -11.476 1.00 0.00 C ATOM 423 CG GLN A 26 2.724 6.162 -10.554 1.00 0.00 C ATOM 424 CD GLN A 26 2.427 7.624 -10.831 1.00 0.00 C ATOM 425 OE1 GLN A 26 3.052 8.519 -10.266 1.00 0.00 O ATOM 426 NE2 GLN A 26 1.462 7.875 -11.699 1.00 0.00 N ATOM 0 H GLN A 26 4.826 4.011 -13.339 1.00 0.00 H new ATOM 0 HA GLN A 26 4.035 3.694 -10.503 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.765 5.965 -11.162 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.617 5.965 -12.487 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.807 5.582 -10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.049 6.051 -9.519 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.966 7.105 -12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.213 8.839 -11.920 1.00 0.00 H new ATOM 435 N PHE A 27 1.700 2.998 -11.031 1.00 0.00 N ATOM 436 CA PHE A 27 0.376 2.486 -11.347 1.00 0.00 C ATOM 437 C PHE A 27 -0.573 2.711 -10.176 1.00 0.00 C ATOM 438 O PHE A 27 -0.140 3.035 -9.071 1.00 0.00 O ATOM 439 CB PHE A 27 0.442 0.995 -11.717 1.00 0.00 C ATOM 440 CG PHE A 27 0.980 0.105 -10.627 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.345 -0.082 -10.474 1.00 0.00 C ATOM 442 CD2 PHE A 27 0.117 -0.545 -9.759 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.837 -0.898 -9.473 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.604 -1.361 -8.759 1.00 0.00 C ATOM 445 CZ PHE A 27 1.964 -1.538 -8.615 1.00 0.00 C ATOM 0 H PHE A 27 1.966 2.908 -10.050 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.007 3.030 -12.210 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.558 0.655 -11.985 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.066 0.881 -12.603 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.031 0.415 -11.144 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.949 -0.411 -9.867 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.902 -1.035 -9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.080 -1.861 -8.089 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.346 -2.176 -7.832 1.00 0.00 H new ATOM 455 N THR A 28 -1.862 2.554 -10.424 1.00 0.00 N ATOM 456 CA THR A 28 -2.868 2.765 -9.398 1.00 0.00 C ATOM 457 C THR A 28 -3.521 1.442 -9.008 1.00 0.00 C ATOM 458 O THR A 28 -3.695 0.555 -9.844 1.00 0.00 O ATOM 459 CB THR A 28 -3.959 3.725 -9.895 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.363 4.793 -10.646 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.753 4.308 -8.737 1.00 0.00 C ATOM 0 H THR A 28 -2.238 2.280 -11.332 1.00 0.00 H new ATOM 0 HA THR A 28 -2.369 3.198 -8.531 1.00 0.00 H new ATOM 0 HB THR A 28 -4.640 3.158 -10.529 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.063 5.401 -10.962 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.517 4.983 -9.123 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.230 3.501 -8.180 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.083 4.858 -8.077 1.00 0.00 H new ATOM 469 N VAL A 29 -3.866 1.313 -7.736 1.00 0.00 N ATOM 470 CA VAL A 29 -4.558 0.131 -7.244 1.00 0.00 C ATOM 471 C VAL A 29 -5.790 0.548 -6.441 1.00 0.00 C ATOM 472 O VAL A 29 -5.758 1.549 -5.721 1.00 0.00 O ATOM 473 CB VAL A 29 -3.635 -0.740 -6.354 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.319 -2.038 -5.959 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.322 -1.033 -7.058 1.00 0.00 C ATOM 0 H VAL A 29 -3.677 2.016 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.859 -0.462 -8.108 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.424 -0.174 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.647 -2.628 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.229 -1.815 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.572 -2.604 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.692 -1.646 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.519 -1.568 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.811 -0.096 -7.280 1.00 0.00 H new ATOM 485 N GLU A 30 -6.877 -0.195 -6.582 1.00 0.00 N ATOM 486 CA GLU A 30 -8.077 0.073 -5.804 1.00 0.00 C ATOM 487 C GLU A 30 -8.044 -0.712 -4.518 1.00 0.00 C ATOM 488 O GLU A 30 -8.156 -1.938 -4.519 1.00 0.00 O ATOM 489 CB GLU A 30 -9.337 -0.283 -6.578 1.00 0.00 C ATOM 490 CG GLU A 30 -9.479 0.491 -7.864 1.00 0.00 C ATOM 491 CD GLU A 30 -10.770 0.181 -8.589 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.016 -1.004 -8.897 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.553 1.121 -8.843 1.00 0.00 O ATOM 0 H GLU A 30 -6.953 -0.984 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.098 1.141 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.330 -1.350 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.208 -0.095 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.435 1.559 -7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.636 0.263 -8.516 1.00 0.00 H new ATOM 500 N VAL A 31 -7.870 -0.002 -3.433 1.00 0.00 N ATOM 501 CA VAL A 31 -7.835 -0.617 -2.122 1.00 0.00 C ATOM 502 C VAL A 31 -8.801 0.098 -1.191 1.00 0.00 C ATOM 503 O VAL A 31 -9.037 1.298 -1.330 1.00 0.00 O ATOM 504 CB VAL A 31 -6.410 -0.607 -1.514 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.429 -1.326 -2.429 1.00 0.00 C ATOM 506 CG2 VAL A 31 -5.939 0.815 -1.242 1.00 0.00 C ATOM 0 H VAL A 31 -7.749 1.011 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.136 -1.658 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.450 -1.138 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.435 -1.307 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.747 -2.360 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.402 -0.827 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.936 0.791 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.923 1.378 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.620 1.296 -0.540 1.00 0.00 H new ATOM 516 N ASP A 32 -9.386 -0.645 -0.276 1.00 0.00 N ATOM 517 CA ASP A 32 -10.302 -0.069 0.696 1.00 0.00 C ATOM 518 C ASP A 32 -9.517 0.763 1.708 1.00 0.00 C ATOM 519 O ASP A 32 -8.370 0.456 2.013 1.00 0.00 O ATOM 520 CB ASP A 32 -11.091 -1.190 1.388 1.00 0.00 C ATOM 521 CG ASP A 32 -12.080 -0.692 2.426 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.503 0.479 2.353 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.443 -1.484 3.326 1.00 0.00 O ATOM 0 H ASP A 32 -9.246 -1.651 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.013 0.587 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.629 -1.763 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.389 -1.873 1.867 1.00 0.00 H new ATOM 528 N ARG A 33 -10.116 1.827 2.220 1.00 0.00 N ATOM 529 CA ARG A 33 -9.440 2.665 3.204 1.00 0.00 C ATOM 530 C ARG A 33 -9.352 1.949 4.545 1.00 0.00 C ATOM 531 O ARG A 33 -8.510 2.267 5.386 1.00 0.00 O ATOM 532 CB ARG A 33 -10.139 4.014 3.361 1.00 0.00 C ATOM 533 CG ARG A 33 -11.653 3.945 3.258 1.00 0.00 C ATOM 534 CD ARG A 33 -12.274 5.305 3.511 1.00 0.00 C ATOM 535 NE ARG A 33 -11.641 6.361 2.718 1.00 0.00 N ATOM 536 CZ ARG A 33 -11.750 7.662 2.995 1.00 0.00 C ATOM 537 NH1 ARG A 33 -12.494 8.064 4.014 1.00 0.00 N ATOM 538 NH2 ARG A 33 -11.112 8.560 2.256 1.00 0.00 N ATOM 0 H ARG A 33 -11.059 2.130 1.975 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.429 2.854 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.871 4.440 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.765 4.696 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.938 3.589 2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.038 3.225 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.338 5.266 3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.190 5.549 4.570 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.085 6.087 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.985 7.379 4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.576 9.059 4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.535 8.257 1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.199 9.553 2.472 1.00 0.00 H new ATOM 552 N THR A 34 -10.224 0.975 4.737 1.00 0.00 N ATOM 553 CA THR A 34 -10.184 0.146 5.924 1.00 0.00 C ATOM 554 C THR A 34 -9.405 -1.142 5.661 1.00 0.00 C ATOM 555 O THR A 34 -9.456 -2.086 6.445 1.00 0.00 O ATOM 556 CB THR A 34 -11.605 -0.169 6.428 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.561 0.067 5.386 1.00 0.00 O ATOM 558 CG2 THR A 34 -11.947 0.694 7.632 1.00 0.00 C ATOM 0 H THR A 34 -10.970 0.740 4.082 1.00 0.00 H new ATOM 0 HA THR A 34 -9.667 0.704 6.704 1.00 0.00 H new ATOM 0 HB THR A 34 -11.639 -1.218 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.702 -0.759 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 34 -12.954 0.458 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.236 0.498 8.434 1.00 0.00 H new ATOM 0 HG23 THR A 34 -11.896 1.746 7.352 1.00 0.00 H new ATOM 566 N GLU A 35 -8.672 -1.158 4.553 1.00 0.00 N ATOM 567 CA GLU A 35 -7.800 -2.275 4.211 1.00 0.00 C ATOM 568 C GLU A 35 -6.621 -2.312 5.179 1.00 0.00 C ATOM 569 O GLU A 35 -6.217 -1.272 5.704 1.00 0.00 O ATOM 570 CB GLU A 35 -7.279 -2.101 2.782 1.00 0.00 C ATOM 571 CG GLU A 35 -6.783 -3.376 2.126 1.00 0.00 C ATOM 572 CD GLU A 35 -7.916 -4.258 1.650 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.604 -3.875 0.680 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.101 -5.350 2.216 1.00 0.00 O ATOM 0 H GLU A 35 -8.665 -0.401 3.870 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.361 -3.207 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.075 -1.680 2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.466 -1.375 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.144 -3.121 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.168 -3.930 2.835 1.00 0.00 H new ATOM 581 N THR A 36 -6.077 -3.494 5.419 1.00 0.00 N ATOM 582 CA THR A 36 -4.911 -3.626 6.279 1.00 0.00 C ATOM 583 C THR A 36 -3.632 -3.515 5.461 1.00 0.00 C ATOM 584 O THR A 36 -3.651 -3.699 4.242 1.00 0.00 O ATOM 585 CB THR A 36 -4.912 -4.967 7.034 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.036 -6.054 6.107 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.046 -5.022 8.044 1.00 0.00 C ATOM 0 H THR A 36 -6.422 -4.373 5.033 1.00 0.00 H new ATOM 0 HA THR A 36 -4.955 -2.817 7.008 1.00 0.00 H new ATOM 0 HB THR A 36 -3.967 -5.055 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.287 -6.674 6.228 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.024 -5.980 8.564 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.929 -4.214 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.999 -4.911 7.527 1.00 0.00 H new ATOM 595 N VAL A 37 -2.520 -3.229 6.126 1.00 0.00 N ATOM 596 CA VAL A 37 -1.232 -3.129 5.449 1.00 0.00 C ATOM 597 C VAL A 37 -0.840 -4.484 4.865 1.00 0.00 C ATOM 598 O VAL A 37 -0.237 -4.567 3.791 1.00 0.00 O ATOM 599 CB VAL A 37 -0.134 -2.629 6.409 1.00 0.00 C ATOM 600 CG1 VAL A 37 1.195 -2.458 5.686 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.560 -1.322 7.057 1.00 0.00 C ATOM 0 H VAL A 37 -2.483 -3.062 7.132 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.330 -2.404 4.641 1.00 0.00 H new ATOM 0 HB VAL A 37 0.005 -3.380 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.949 -2.104 6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.508 -3.415 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.081 -1.732 4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.223 -0.979 7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.728 -0.571 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.481 -1.478 7.619 1.00 0.00 H new ATOM 611 N SER A 38 -1.220 -5.545 5.565 1.00 0.00 N ATOM 612 CA SER A 38 -0.992 -6.899 5.095 1.00 0.00 C ATOM 613 C SER A 38 -1.730 -7.149 3.785 1.00 0.00 C ATOM 614 O SER A 38 -1.203 -7.792 2.876 1.00 0.00 O ATOM 615 CB SER A 38 -1.456 -7.895 6.152 1.00 0.00 C ATOM 616 OG SER A 38 -2.760 -7.577 6.618 1.00 0.00 O ATOM 0 H SER A 38 -1.691 -5.489 6.468 1.00 0.00 H new ATOM 0 HA SER A 38 0.075 -7.030 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.451 -8.902 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.757 -7.894 6.989 1.00 0.00 H new ATOM 0 HG SER A 38 -3.035 -8.232 7.294 1.00 0.00 H new ATOM 622 N SER A 39 -2.939 -6.611 3.684 1.00 0.00 N ATOM 623 CA SER A 39 -3.774 -6.826 2.521 1.00 0.00 C ATOM 624 C SER A 39 -3.324 -5.905 1.395 1.00 0.00 C ATOM 625 O SER A 39 -3.510 -6.204 0.214 1.00 0.00 O ATOM 626 CB SER A 39 -5.241 -6.582 2.887 1.00 0.00 C ATOM 627 OG SER A 39 -6.119 -6.979 1.848 1.00 0.00 O ATOM 0 H SER A 39 -3.360 -6.020 4.401 1.00 0.00 H new ATOM 0 HA SER A 39 -3.677 -7.856 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.484 -7.131 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.390 -5.524 3.103 1.00 0.00 H new ATOM 0 HG SER A 39 -7.036 -6.718 2.077 1.00 0.00 H new ATOM 633 N LEU A 40 -2.708 -4.791 1.774 1.00 0.00 N ATOM 634 CA LEU A 40 -2.162 -3.858 0.808 1.00 0.00 C ATOM 635 C LEU A 40 -0.997 -4.508 0.073 1.00 0.00 C ATOM 636 O LEU A 40 -0.972 -4.551 -1.156 1.00 0.00 O ATOM 637 CB LEU A 40 -1.692 -2.580 1.503 1.00 0.00 C ATOM 638 CG LEU A 40 -1.448 -1.406 0.565 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.744 -1.027 -0.120 1.00 0.00 C ATOM 640 CD2 LEU A 40 -0.869 -0.217 1.317 1.00 0.00 C ATOM 0 H LEU A 40 -2.576 -4.516 2.747 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.941 -3.595 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.437 -2.289 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.771 -2.794 2.045 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.720 -1.705 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.568 -0.186 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.115 -1.877 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.483 -0.744 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.705 0.607 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.566 0.096 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.079 -0.502 1.773 1.00 0.00 H new ATOM 652 N LYS A 41 -0.044 -5.037 0.842 1.00 0.00 N ATOM 653 CA LYS A 41 1.087 -5.757 0.268 1.00 0.00 C ATOM 654 C LYS A 41 0.605 -6.984 -0.494 1.00 0.00 C ATOM 655 O LYS A 41 1.162 -7.345 -1.528 1.00 0.00 O ATOM 656 CB LYS A 41 2.075 -6.196 1.351 1.00 0.00 C ATOM 657 CG LYS A 41 2.898 -5.073 1.958 1.00 0.00 C ATOM 658 CD LYS A 41 4.055 -5.642 2.765 1.00 0.00 C ATOM 659 CE LYS A 41 4.996 -4.566 3.272 1.00 0.00 C ATOM 660 NZ LYS A 41 6.314 -5.142 3.660 1.00 0.00 N ATOM 0 H LYS A 41 -0.035 -4.979 1.860 1.00 0.00 H new ATOM 0 HA LYS A 41 1.595 -5.076 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.521 -6.693 2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.754 -6.935 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.280 -4.426 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.268 -4.456 2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.661 -6.204 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.613 -6.346 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.140 -3.811 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.549 -4.063 4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.041 -4.399 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.255 -5.525 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.568 -5.905 3.000 1.00 0.00 H new ATOM 674 N ASP A 42 -0.432 -7.620 0.033 1.00 0.00 N ATOM 675 CA ASP A 42 -1.030 -8.790 -0.601 1.00 0.00 C ATOM 676 C ASP A 42 -1.510 -8.455 -2.010 1.00 0.00 C ATOM 677 O ASP A 42 -1.216 -9.176 -2.963 1.00 0.00 O ATOM 678 CB ASP A 42 -2.190 -9.310 0.250 1.00 0.00 C ATOM 679 CG ASP A 42 -2.937 -10.450 -0.404 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.403 -11.580 -0.435 1.00 0.00 O ATOM 681 OD2 ASP A 42 -4.074 -10.228 -0.868 1.00 0.00 O ATOM 0 H ASP A 42 -0.881 -7.343 0.906 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.272 -9.569 -0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.806 -9.641 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.884 -8.493 0.446 1.00 0.00 H new ATOM 686 N LYS A 43 -2.224 -7.346 -2.135 1.00 0.00 N ATOM 687 CA LYS A 43 -2.733 -6.899 -3.429 1.00 0.00 C ATOM 688 C LYS A 43 -1.598 -6.553 -4.387 1.00 0.00 C ATOM 689 O LYS A 43 -1.615 -6.962 -5.549 1.00 0.00 O ATOM 690 CB LYS A 43 -3.661 -5.701 -3.246 1.00 0.00 C ATOM 691 CG LYS A 43 -5.019 -6.082 -2.685 1.00 0.00 C ATOM 692 CD LYS A 43 -5.832 -4.861 -2.296 1.00 0.00 C ATOM 693 CE LYS A 43 -7.239 -5.246 -1.866 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.237 -6.246 -0.764 1.00 0.00 N ATOM 0 H LYS A 43 -2.466 -6.735 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.298 -7.721 -3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.188 -4.981 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.797 -5.204 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.568 -6.663 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.885 -6.722 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.333 -4.333 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.883 -4.172 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.775 -4.354 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.780 -5.651 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.187 -6.303 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.969 -7.177 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.554 -5.958 -0.035 1.00 0.00 H new ATOM 708 N ILE A 44 -0.614 -5.806 -3.901 1.00 0.00 N ATOM 709 CA ILE A 44 0.564 -5.479 -4.699 1.00 0.00 C ATOM 710 C ILE A 44 1.291 -6.750 -5.131 1.00 0.00 C ATOM 711 O ILE A 44 1.801 -6.826 -6.239 1.00 0.00 O ATOM 712 CB ILE A 44 1.530 -4.558 -3.923 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.797 -3.287 -3.483 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.739 -4.205 -4.778 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.643 -2.343 -2.655 1.00 0.00 C ATOM 0 H ILE A 44 -0.607 -5.415 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 44 0.222 -4.946 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 44 1.883 -5.088 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.443 -2.759 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.084 -3.569 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.407 -3.555 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.268 -5.117 -5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.409 -3.689 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.052 -1.468 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.976 -2.851 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.511 -2.029 -3.235 1.00 0.00 H new ATOM 727 N HIS A 45 1.309 -7.755 -4.264 1.00 0.00 N ATOM 728 CA HIS A 45 1.947 -9.028 -4.582 1.00 0.00 C ATOM 729 C HIS A 45 1.207 -9.752 -5.707 1.00 0.00 C ATOM 730 O HIS A 45 1.811 -10.500 -6.473 1.00 0.00 O ATOM 731 CB HIS A 45 2.011 -9.919 -3.340 1.00 0.00 C ATOM 732 CG HIS A 45 2.678 -11.238 -3.579 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.026 -11.363 -3.850 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.175 -12.495 -3.596 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.321 -12.641 -4.016 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.215 -13.345 -3.867 1.00 0.00 N ATOM 0 H HIS A 45 0.889 -7.714 -3.335 1.00 0.00 H new ATOM 0 HA HIS A 45 2.961 -8.816 -4.921 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.545 -9.390 -2.551 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.998 -10.094 -2.977 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.690 -10.591 -3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.146 -12.775 -3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.300 -13.041 -4.236 1.00 0.00 H new ATOM 745 N ILE A 46 -0.100 -9.543 -5.787 1.00 0.00 N ATOM 746 CA ILE A 46 -0.909 -10.150 -6.835 1.00 0.00 C ATOM 747 C ILE A 46 -0.645 -9.463 -8.172 1.00 0.00 C ATOM 748 O ILE A 46 -0.413 -10.120 -9.190 1.00 0.00 O ATOM 749 CB ILE A 46 -2.415 -10.060 -6.497 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.697 -10.786 -5.179 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.260 -10.649 -7.621 1.00 0.00 C ATOM 752 CD1 ILE A 46 -4.081 -10.536 -4.625 1.00 0.00 C ATOM 0 H ILE A 46 -0.624 -8.956 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.630 -11.201 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.684 -9.009 -6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.565 -11.857 -5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.959 -10.475 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.316 -10.574 -7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.074 -10.098 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.995 -11.697 -7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.204 -11.084 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.212 -9.470 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.827 -10.873 -5.344 1.00 0.00 H new ATOM 764 N VAL A 47 -0.666 -8.138 -8.145 1.00 0.00 N ATOM 765 CA VAL A 47 -0.443 -7.328 -9.336 1.00 0.00 C ATOM 766 C VAL A 47 1.014 -7.401 -9.792 1.00 0.00 C ATOM 767 O VAL A 47 1.306 -7.704 -10.951 1.00 0.00 O ATOM 768 CB VAL A 47 -0.813 -5.852 -9.070 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.439 -4.972 -10.253 1.00 0.00 C ATOM 770 CG2 VAL A 47 -2.296 -5.718 -8.747 1.00 0.00 C ATOM 0 H VAL A 47 -0.838 -7.594 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.082 -7.729 -10.123 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.242 -5.513 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.711 -3.939 -10.038 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.635 -5.036 -10.429 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.973 -5.310 -11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.535 -4.671 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.886 -6.083 -9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.529 -6.305 -7.859 1.00 0.00 H new ATOM 780 N GLU A 48 1.917 -7.140 -8.866 1.00 0.00 N ATOM 781 CA GLU A 48 3.331 -7.025 -9.170 1.00 0.00 C ATOM 782 C GLU A 48 4.051 -8.361 -9.025 1.00 0.00 C ATOM 783 O GLU A 48 3.420 -9.407 -8.879 1.00 0.00 O ATOM 784 CB GLU A 48 3.957 -5.977 -8.257 1.00 0.00 C ATOM 785 CG GLU A 48 3.594 -4.556 -8.640 1.00 0.00 C ATOM 786 CD GLU A 48 4.018 -4.216 -10.051 1.00 0.00 C ATOM 787 OE1 GLU A 48 5.225 -4.008 -10.277 1.00 0.00 O ATOM 788 OE2 GLU A 48 3.150 -4.165 -10.945 1.00 0.00 O ATOM 0 H GLU A 48 1.691 -7.002 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 48 3.437 -6.716 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.639 -6.162 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.041 -6.086 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.517 -4.420 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.066 -3.863 -7.944 1.00 0.00 H new ATOM 795 N ASN A 49 5.376 -8.317 -9.070 1.00 0.00 N ATOM 796 CA ASN A 49 6.191 -9.528 -9.029 1.00 0.00 C ATOM 797 C ASN A 49 7.159 -9.478 -7.845 1.00 0.00 C ATOM 798 O ASN A 49 8.158 -10.194 -7.799 1.00 0.00 O ATOM 799 CB ASN A 49 6.964 -9.665 -10.345 1.00 0.00 C ATOM 800 CG ASN A 49 7.665 -11.004 -10.494 1.00 0.00 C ATOM 801 OD1 ASN A 49 7.195 -12.029 -10.001 1.00 0.00 O ATOM 802 ND2 ASN A 49 8.801 -11.002 -11.172 1.00 0.00 N ATOM 0 H ASN A 49 5.913 -7.452 -9.135 1.00 0.00 H new ATOM 0 HA ASN A 49 5.542 -10.394 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.275 -9.529 -11.179 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.703 -8.867 -10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.319 -11.871 -11.301 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.158 -10.132 -11.566 1.00 0.00 H new ATOM 809 N THR A 50 6.847 -8.633 -6.878 1.00 0.00 N ATOM 810 CA THR A 50 7.707 -8.454 -5.727 1.00 0.00 C ATOM 811 C THR A 50 7.158 -9.196 -4.509 1.00 0.00 C ATOM 812 O THR A 50 5.962 -9.128 -4.203 1.00 0.00 O ATOM 813 CB THR A 50 7.875 -6.956 -5.402 1.00 0.00 C ATOM 814 OG1 THR A 50 8.184 -6.241 -6.603 1.00 0.00 O ATOM 815 CG2 THR A 50 8.987 -6.737 -4.385 1.00 0.00 C ATOM 0 H THR A 50 6.003 -8.060 -6.869 1.00 0.00 H new ATOM 0 HA THR A 50 8.683 -8.873 -5.973 1.00 0.00 H new ATOM 0 HB THR A 50 6.941 -6.590 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.967 -5.672 -6.452 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.083 -5.672 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.748 -7.269 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.927 -7.114 -4.787 1.00 0.00 H new ATOM 823 N PRO A 51 8.023 -9.968 -3.837 1.00 0.00 N ATOM 824 CA PRO A 51 7.699 -10.602 -2.558 1.00 0.00 C ATOM 825 C PRO A 51 7.278 -9.574 -1.513 1.00 0.00 C ATOM 826 O PRO A 51 7.873 -8.499 -1.411 1.00 0.00 O ATOM 827 CB PRO A 51 9.007 -11.273 -2.137 1.00 0.00 C ATOM 828 CG PRO A 51 9.786 -11.438 -3.396 1.00 0.00 C ATOM 829 CD PRO A 51 9.378 -10.304 -4.296 1.00 0.00 C ATOM 0 HA PRO A 51 6.865 -11.298 -2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.549 -10.661 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.820 -12.236 -1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.857 -11.410 -3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.573 -12.400 -3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.055 -9.455 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.384 -10.602 -5.344 1.00 0.00 H new ATOM 837 N ILE A 52 6.270 -9.927 -0.729 1.00 0.00 N ATOM 838 CA ILE A 52 5.671 -9.016 0.242 1.00 0.00 C ATOM 839 C ILE A 52 6.696 -8.476 1.243 1.00 0.00 C ATOM 840 O ILE A 52 6.646 -7.305 1.627 1.00 0.00 O ATOM 841 CB ILE A 52 4.510 -9.720 0.989 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.314 -9.881 0.047 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.109 -8.969 2.252 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.105 -10.520 0.693 1.00 0.00 C ATOM 0 H ILE A 52 5.842 -10.853 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 52 5.282 -8.162 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 52 4.855 -10.705 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.032 -8.901 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.617 -10.484 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.292 -9.496 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.963 -8.910 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.784 -7.962 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.301 -10.599 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.368 -11.515 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.774 -9.907 1.531 1.00 0.00 H new ATOM 856 N LYS A 53 7.644 -9.310 1.633 1.00 0.00 N ATOM 857 CA LYS A 53 8.604 -8.934 2.660 1.00 0.00 C ATOM 858 C LYS A 53 9.809 -8.172 2.099 1.00 0.00 C ATOM 859 O LYS A 53 10.604 -7.627 2.864 1.00 0.00 O ATOM 860 CB LYS A 53 9.054 -10.167 3.439 1.00 0.00 C ATOM 861 CG LYS A 53 7.943 -10.757 4.291 1.00 0.00 C ATOM 862 CD LYS A 53 8.428 -11.934 5.116 1.00 0.00 C ATOM 863 CE LYS A 53 7.354 -12.412 6.078 1.00 0.00 C ATOM 864 NZ LYS A 53 6.147 -12.915 5.369 1.00 0.00 N ATOM 0 H LYS A 53 7.771 -10.249 1.257 1.00 0.00 H new ATOM 0 HA LYS A 53 8.095 -8.248 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.412 -10.923 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.895 -9.901 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.546 -9.988 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.123 -11.077 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.716 -12.751 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.319 -11.647 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.759 -13.204 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.070 -11.593 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.492 -13.339 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.676 -12.126 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.428 -13.633 4.671 1.00 0.00 H new ATOM 878 N ARG A 54 9.949 -8.128 0.775 1.00 0.00 N ATOM 879 CA ARG A 54 11.045 -7.369 0.163 1.00 0.00 C ATOM 880 C ARG A 54 10.608 -5.948 -0.181 1.00 0.00 C ATOM 881 O ARG A 54 11.432 -5.031 -0.244 1.00 0.00 O ATOM 882 CB ARG A 54 11.590 -8.060 -1.095 1.00 0.00 C ATOM 883 CG ARG A 54 12.648 -9.117 -0.809 1.00 0.00 C ATOM 884 CD ARG A 54 12.034 -10.439 -0.385 1.00 0.00 C ATOM 885 NE ARG A 54 13.046 -11.422 0.004 1.00 0.00 N ATOM 886 CZ ARG A 54 13.555 -12.341 -0.818 1.00 0.00 C ATOM 887 NH1 ARG A 54 13.275 -12.312 -2.117 1.00 0.00 N ATOM 888 NH2 ARG A 54 14.386 -13.261 -0.344 1.00 0.00 N ATOM 0 H ARG A 54 9.331 -8.599 0.114 1.00 0.00 H new ATOM 0 HA ARG A 54 11.845 -7.326 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.762 -8.525 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.014 -7.305 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.257 -9.270 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.315 -8.759 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.355 -10.270 0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.438 -10.840 -1.205 1.00 0.00 H new ATOM 0 HE ARG A 54 13.384 -11.403 0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.667 -11.584 -2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.668 -13.018 -2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.633 -13.264 0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.777 -13.965 -0.969 1.00 0.00 H new ATOM 902 N MET A 55 9.314 -5.766 -0.403 1.00 0.00 N ATOM 903 CA MET A 55 8.784 -4.452 -0.749 1.00 0.00 C ATOM 904 C MET A 55 8.194 -3.767 0.477 1.00 0.00 C ATOM 905 O MET A 55 7.333 -4.320 1.163 1.00 0.00 O ATOM 906 CB MET A 55 7.737 -4.554 -1.865 1.00 0.00 C ATOM 907 CG MET A 55 6.583 -5.491 -1.564 1.00 0.00 C ATOM 908 SD MET A 55 5.461 -5.658 -2.964 1.00 0.00 S ATOM 909 CE MET A 55 4.225 -6.753 -2.282 1.00 0.00 C ATOM 0 H MET A 55 8.614 -6.506 -0.351 1.00 0.00 H new ATOM 0 HA MET A 55 9.612 -3.846 -1.117 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.338 -3.559 -2.063 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.230 -4.887 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.974 -6.472 -1.295 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.031 -5.120 -0.700 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.319 -6.701 -2.886 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.604 -7.775 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.997 -6.452 -1.260 1.00 0.00 H new ATOM 919 N GLN A 56 8.673 -2.568 0.755 1.00 0.00 N ATOM 920 CA GLN A 56 8.226 -1.809 1.912 1.00 0.00 C ATOM 921 C GLN A 56 7.350 -0.642 1.481 1.00 0.00 C ATOM 922 O GLN A 56 7.576 -0.045 0.430 1.00 0.00 O ATOM 923 CB GLN A 56 9.434 -1.309 2.698 1.00 0.00 C ATOM 924 CG GLN A 56 10.302 -2.433 3.235 1.00 0.00 C ATOM 925 CD GLN A 56 9.603 -3.263 4.290 1.00 0.00 C ATOM 926 OE1 GLN A 56 8.917 -4.237 3.983 1.00 0.00 O ATOM 927 NE2 GLN A 56 9.769 -2.879 5.540 1.00 0.00 N ATOM 0 H GLN A 56 9.378 -2.094 0.190 1.00 0.00 H new ATOM 0 HA GLN A 56 7.631 -2.460 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.037 -0.667 2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.090 -0.695 3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.602 -3.080 2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.214 -2.011 3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.346 -2.065 5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.320 -3.396 6.296 1.00 0.00 H new ATOM 936 N LEU A 57 6.364 -0.319 2.303 1.00 0.00 N ATOM 937 CA LEU A 57 5.395 0.712 1.971 1.00 0.00 C ATOM 938 C LEU A 57 5.628 1.955 2.817 1.00 0.00 C ATOM 939 O LEU A 57 5.742 1.871 4.042 1.00 0.00 O ATOM 940 CB LEU A 57 3.980 0.187 2.208 1.00 0.00 C ATOM 941 CG LEU A 57 3.643 -1.127 1.502 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.271 -1.620 1.925 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.707 -0.957 -0.007 1.00 0.00 C ATOM 0 H LEU A 57 6.214 -0.760 3.211 1.00 0.00 H new ATOM 0 HA LEU A 57 5.514 0.976 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.835 0.052 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.269 0.947 1.884 1.00 0.00 H new ATOM 0 HG LEU A 57 4.383 -1.873 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.047 -2.556 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.260 -1.784 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.520 -0.875 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.464 -1.903 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.991 -0.196 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.712 -0.649 -0.296 1.00 0.00 H new ATOM 955 N TYR A 58 5.714 3.102 2.161 1.00 0.00 N ATOM 956 CA TYR A 58 5.897 4.365 2.857 1.00 0.00 C ATOM 957 C TYR A 58 4.864 5.384 2.401 1.00 0.00 C ATOM 958 O TYR A 58 4.563 5.495 1.212 1.00 0.00 O ATOM 959 CB TYR A 58 7.313 4.903 2.632 1.00 0.00 C ATOM 960 CG TYR A 58 8.393 4.047 3.258 1.00 0.00 C ATOM 961 CD1 TYR A 58 8.883 2.924 2.607 1.00 0.00 C ATOM 962 CD2 TYR A 58 8.917 4.361 4.503 1.00 0.00 C ATOM 963 CE1 TYR A 58 9.863 2.136 3.179 1.00 0.00 C ATOM 964 CE2 TYR A 58 9.899 3.581 5.082 1.00 0.00 C ATOM 965 CZ TYR A 58 10.368 2.467 4.416 1.00 0.00 C ATOM 966 OH TYR A 58 11.341 1.677 4.990 1.00 0.00 O ATOM 0 H TYR A 58 5.660 3.184 1.146 1.00 0.00 H new ATOM 0 HA TYR A 58 5.759 4.189 3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.497 4.980 1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.379 5.912 3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.491 2.661 1.636 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.551 5.230 5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.231 1.264 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.298 3.842 6.051 1.00 0.00 H new ATOM 0 HH TYR A 58 11.192 1.626 5.957 1.00 0.00 H new ATOM 976 N TYR A 59 4.320 6.116 3.359 1.00 0.00 N ATOM 977 CA TYR A 59 3.301 7.117 3.088 1.00 0.00 C ATOM 978 C TYR A 59 3.717 8.462 3.668 1.00 0.00 C ATOM 979 O TYR A 59 3.726 8.642 4.885 1.00 0.00 O ATOM 980 CB TYR A 59 1.960 6.674 3.685 1.00 0.00 C ATOM 981 CG TYR A 59 0.865 7.711 3.590 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.318 8.057 2.365 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.373 8.337 4.730 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.689 8.995 2.275 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.634 9.279 4.647 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.160 9.605 3.416 1.00 0.00 C ATOM 987 OH TYR A 59 -2.172 10.534 3.319 1.00 0.00 O ATOM 0 H TYR A 59 4.571 6.034 4.344 1.00 0.00 H new ATOM 0 HA TYR A 59 3.189 7.223 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.631 5.767 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.110 6.415 4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.686 7.585 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.785 8.083 5.696 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.107 9.250 1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.006 9.757 5.541 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.882 10.312 3.957 1.00 0.00 H new ATOM 997 N SER A 60 4.086 9.388 2.787 1.00 0.00 N ATOM 998 CA SER A 60 4.485 10.738 3.186 1.00 0.00 C ATOM 999 C SER A 60 5.664 10.710 4.161 1.00 0.00 C ATOM 1000 O SER A 60 5.826 11.605 4.992 1.00 0.00 O ATOM 1001 CB SER A 60 3.288 11.473 3.796 1.00 0.00 C ATOM 1002 OG SER A 60 2.238 11.592 2.848 1.00 0.00 O ATOM 0 H SER A 60 4.117 9.227 1.780 1.00 0.00 H new ATOM 0 HA SER A 60 4.816 11.275 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.933 10.934 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.595 12.463 4.132 1.00 0.00 H new ATOM 0 HG SER A 60 1.481 12.063 3.256 1.00 0.00 H new ATOM 1008 N GLY A 61 6.503 9.689 4.035 1.00 0.00 N ATOM 1009 CA GLY A 61 7.647 9.553 4.914 1.00 0.00 C ATOM 1010 C GLY A 61 7.387 8.594 6.058 1.00 0.00 C ATOM 1011 O GLY A 61 8.314 8.162 6.740 1.00 0.00 O ATOM 0 H GLY A 61 6.410 8.951 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.504 9.204 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.911 10.531 5.316 1.00 0.00 H new ATOM 1015 N ILE A 62 6.122 8.264 6.267 1.00 0.00 N ATOM 1016 CA ILE A 62 5.738 7.345 7.328 1.00 0.00 C ATOM 1017 C ILE A 62 5.887 5.906 6.854 1.00 0.00 C ATOM 1018 O ILE A 62 5.370 5.536 5.798 1.00 0.00 O ATOM 1019 CB ILE A 62 4.280 7.583 7.775 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.081 9.043 8.189 1.00 0.00 C ATOM 1021 CG2 ILE A 62 3.911 6.646 8.920 1.00 0.00 C ATOM 1022 CD1 ILE A 62 2.644 9.398 8.512 1.00 0.00 C ATOM 0 H ILE A 62 5.342 8.620 5.715 1.00 0.00 H new ATOM 0 HA ILE A 62 6.397 7.525 8.177 1.00 0.00 H new ATOM 0 HB ILE A 62 3.621 7.370 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.701 9.251 9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.433 9.690 7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.880 6.829 9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.016 5.612 8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.574 6.827 9.766 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.584 10.448 8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.020 9.223 7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.293 8.778 9.337 1.00 0.00 H new ATOM 1034 N GLU A 63 6.601 5.106 7.627 1.00 0.00 N ATOM 1035 CA GLU A 63 6.813 3.709 7.292 1.00 0.00 C ATOM 1036 C GLU A 63 5.618 2.867 7.727 1.00 0.00 C ATOM 1037 O GLU A 63 5.267 2.832 8.906 1.00 0.00 O ATOM 1038 CB GLU A 63 8.091 3.205 7.962 1.00 0.00 C ATOM 1039 CG GLU A 63 8.389 1.740 7.704 1.00 0.00 C ATOM 1040 CD GLU A 63 9.741 1.326 8.243 1.00 0.00 C ATOM 1041 OE1 GLU A 63 9.906 1.271 9.478 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.646 1.037 7.431 1.00 0.00 O ATOM 0 H GLU A 63 7.046 5.403 8.496 1.00 0.00 H new ATOM 0 HA GLU A 63 6.919 3.618 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.932 3.803 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.012 3.365 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.614 1.127 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.353 1.547 6.632 1.00 0.00 H new ATOM 1049 N LEU A 64 4.991 2.198 6.770 1.00 0.00 N ATOM 1050 CA LEU A 64 3.853 1.340 7.065 1.00 0.00 C ATOM 1051 C LEU A 64 4.350 -0.026 7.511 1.00 0.00 C ATOM 1052 O LEU A 64 4.436 -0.961 6.710 1.00 0.00 O ATOM 1053 CB LEU A 64 2.938 1.200 5.841 1.00 0.00 C ATOM 1054 CG LEU A 64 2.538 2.516 5.160 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.580 2.256 4.008 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.918 3.479 6.162 1.00 0.00 C ATOM 0 H LEU A 64 5.251 2.233 5.784 1.00 0.00 H new ATOM 0 HA LEU A 64 3.271 1.794 7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.437 0.568 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.031 0.678 6.145 1.00 0.00 H new ATOM 0 HG LEU A 64 3.441 2.976 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.309 3.202 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.062 1.611 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.681 1.768 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.643 4.404 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.028 3.026 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.638 3.697 6.950 1.00 0.00 H new ATOM 1068 N ALA A 65 4.714 -0.121 8.780 1.00 0.00 N ATOM 1069 CA ALA A 65 5.313 -1.335 9.314 1.00 0.00 C ATOM 1070 C ALA A 65 4.287 -2.224 10.009 1.00 0.00 C ATOM 1071 O ALA A 65 4.439 -3.445 10.032 1.00 0.00 O ATOM 1072 CB ALA A 65 6.441 -0.985 10.273 1.00 0.00 C ATOM 0 H ALA A 65 4.605 0.630 9.461 1.00 0.00 H new ATOM 0 HA ALA A 65 5.715 -1.899 8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.882 -1.901 10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.204 -0.413 9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.047 -0.389 11.096 1.00 0.00 H new ATOM 1078 N ASP A 66 3.251 -1.615 10.577 1.00 0.00 N ATOM 1079 CA ASP A 66 2.243 -2.363 11.324 1.00 0.00 C ATOM 1080 C ASP A 66 1.349 -3.161 10.379 1.00 0.00 C ATOM 1081 O ASP A 66 0.507 -2.599 9.683 1.00 0.00 O ATOM 1082 CB ASP A 66 1.386 -1.429 12.187 1.00 0.00 C ATOM 1083 CG ASP A 66 2.187 -0.691 13.241 1.00 0.00 C ATOM 1084 OD1 ASP A 66 2.486 -1.292 14.297 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.513 0.496 13.024 1.00 0.00 O ATOM 0 H ASP A 66 3.087 -0.609 10.535 1.00 0.00 H new ATOM 0 HA ASP A 66 2.769 -3.055 11.981 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.889 -0.704 11.543 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.604 -2.011 12.675 1.00 0.00 H new ATOM 1090 N ASP A 67 1.542 -4.473 10.377 1.00 0.00 N ATOM 1091 CA ASP A 67 0.798 -5.388 9.509 1.00 0.00 C ATOM 1092 C ASP A 67 -0.691 -5.353 9.819 1.00 0.00 C ATOM 1093 O ASP A 67 -1.537 -5.363 8.922 1.00 0.00 O ATOM 1094 CB ASP A 67 1.318 -6.813 9.726 1.00 0.00 C ATOM 1095 CG ASP A 67 0.660 -7.847 8.834 1.00 0.00 C ATOM 1096 OD1 ASP A 67 -0.379 -8.413 9.238 1.00 0.00 O ATOM 1097 OD2 ASP A 67 1.197 -8.120 7.740 1.00 0.00 O ATOM 0 H ASP A 67 2.221 -4.939 10.979 1.00 0.00 H new ATOM 0 HA ASP A 67 0.943 -5.077 8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.394 -6.828 9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.161 -7.092 10.768 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.989 -5.296 11.107 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.353 -5.407 11.603 1.00 0.00 C ATOM 1104 C TYR A 68 -3.146 -4.114 11.410 1.00 0.00 C ATOM 1105 O TYR A 68 -4.370 -4.102 11.561 1.00 0.00 O ATOM 1106 CB TYR A 68 -2.327 -5.777 13.091 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.502 -4.820 13.930 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -0.141 -5.027 14.117 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -2.077 -3.698 14.512 1.00 0.00 C ATOM 1110 CE1 TYR A 68 0.621 -4.149 14.861 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -1.320 -2.811 15.254 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.028 -3.041 15.426 1.00 0.00 C ATOM 1113 OH TYR A 68 0.791 -2.154 16.151 1.00 0.00 O ATOM 0 H TYR A 68 -0.291 -5.171 11.840 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.852 -6.186 11.027 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.348 -5.796 13.472 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.926 -6.785 13.201 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.330 -5.891 13.672 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.134 -3.515 14.383 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.677 -4.330 15.000 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.783 -1.942 15.697 1.00 0.00 H new ATOM 0 HH TYR A 68 1.328 -1.608 15.539 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.452 -3.032 11.083 1.00 0.00 N ATOM 1124 CA ARG A 69 -3.081 -1.723 11.003 1.00 0.00 C ATOM 1125 C ARG A 69 -3.827 -1.522 9.698 1.00 0.00 C ATOM 1126 O ARG A 69 -3.526 -2.162 8.687 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.044 -0.621 11.161 1.00 0.00 C ATOM 1128 CG ARG A 69 -2.041 0.004 12.537 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.161 1.235 12.574 1.00 0.00 C ATOM 1130 NE ARG A 69 -1.345 2.007 13.800 1.00 0.00 N ATOM 1131 CZ ARG A 69 -0.463 2.892 14.259 1.00 0.00 C ATOM 1132 NH1 ARG A 69 0.728 3.006 13.682 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -0.755 3.626 15.323 1.00 0.00 N ATOM 0 H ARG A 69 -1.455 -3.036 10.869 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.803 -1.673 11.818 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.055 -1.030 10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.231 0.154 10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.059 0.272 12.820 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.687 -0.722 13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.116 0.936 12.488 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.384 1.865 11.713 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.200 1.859 14.336 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.968 2.415 12.886 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.403 3.685 14.035 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.655 3.513 15.789 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.080 4.304 15.675 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.797 -0.620 9.734 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.564 -0.264 8.554 1.00 0.00 C ATOM 1149 C ASN A 70 -4.986 1.005 7.936 1.00 0.00 C ATOM 1150 O ASN A 70 -4.412 1.836 8.640 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.042 -0.053 8.906 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.649 -1.236 9.643 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.617 -1.299 10.872 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.210 -2.179 8.904 1.00 0.00 N ATOM 0 H ASN A 70 -5.072 -0.118 10.578 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.501 -1.081 7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.140 0.841 9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.606 0.127 7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.635 -2.992 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.218 -2.093 7.888 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.142 1.155 6.628 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.540 2.271 5.895 1.00 0.00 C ATOM 1163 C LEU A 71 -4.983 3.630 6.435 1.00 0.00 C ATOM 1164 O LEU A 71 -4.158 4.516 6.665 1.00 0.00 O ATOM 1165 CB LEU A 71 -4.889 2.175 4.412 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.446 0.882 3.730 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -4.798 0.913 2.252 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -2.954 0.657 3.927 1.00 0.00 C ATOM 0 H LEU A 71 -5.683 0.516 6.046 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.461 2.196 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.969 2.276 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.434 3.018 3.891 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.978 0.049 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.475 -0.016 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.876 1.022 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.295 1.755 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.657 -0.269 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.400 1.491 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.734 0.587 4.992 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.283 3.786 6.645 1.00 0.00 N ATOM 1181 CA ASN A 72 -6.843 5.058 7.095 1.00 0.00 C ATOM 1182 C ASN A 72 -6.254 5.488 8.438 1.00 0.00 C ATOM 1183 O ASN A 72 -6.177 6.679 8.728 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.373 4.990 7.186 1.00 0.00 C ATOM 1185 CG ASN A 72 -8.868 4.153 8.352 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.055 4.658 9.459 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.095 2.873 8.110 1.00 0.00 N ATOM 0 H ASN A 72 -6.973 3.047 6.511 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.573 5.807 6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.770 6.001 7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.767 4.577 6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.438 2.266 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.927 2.493 7.179 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.825 4.518 9.249 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.279 4.811 10.574 1.00 0.00 C ATOM 1196 C GLU A 73 -3.977 5.602 10.472 1.00 0.00 C ATOM 1197 O GLU A 73 -3.573 6.274 11.423 1.00 0.00 O ATOM 1198 CB GLU A 73 -5.043 3.524 11.366 1.00 0.00 C ATOM 1199 CG GLU A 73 -6.274 2.641 11.464 1.00 0.00 C ATOM 1200 CD GLU A 73 -6.132 1.540 12.494 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -5.379 0.576 12.245 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -6.778 1.637 13.563 1.00 0.00 O ATOM 0 H GLU A 73 -5.845 3.526 9.011 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.014 5.419 11.102 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.237 2.960 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.709 3.781 12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.137 3.257 11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.473 2.196 10.489 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.323 5.517 9.317 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.105 6.280 9.072 1.00 0.00 C ATOM 1211 C TYR A 74 -2.446 7.669 8.554 1.00 0.00 C ATOM 1212 O TYR A 74 -1.598 8.561 8.527 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.212 5.566 8.058 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.682 4.233 8.532 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.411 4.166 9.386 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.262 3.043 8.112 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.911 2.950 9.810 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.769 1.824 8.533 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.317 1.784 9.379 1.00 0.00 C ATOM 1220 OH TYR A 74 0.811 0.574 9.799 1.00 0.00 O ATOM 0 H TYR A 74 -3.616 4.928 8.538 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.568 6.367 10.017 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.776 5.414 7.138 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.370 6.213 7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.878 5.079 9.724 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.112 3.072 7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.761 2.914 10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.232 0.907 8.201 1.00 0.00 H new ATOM 0 HH TYR A 74 1.496 0.265 9.171 1.00 0.00 H new ATOM 1230 N GLY A 75 -3.697 7.847 8.160 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.115 9.099 7.576 1.00 0.00 C ATOM 1232 C GLY A 75 -4.360 8.975 6.084 1.00 0.00 C ATOM 1233 O GLY A 75 -4.572 9.973 5.400 1.00 0.00 O ATOM 0 H GLY A 75 -4.431 7.143 8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.026 9.442 8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.352 9.856 7.757 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.331 7.748 5.579 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.528 7.507 4.158 1.00 0.00 C ATOM 1239 C ILE A 76 -5.995 7.683 3.785 1.00 0.00 C ATOM 1240 O ILE A 76 -6.851 6.884 4.174 1.00 0.00 O ATOM 1241 CB ILE A 76 -4.041 6.100 3.761 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.549 5.968 4.074 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -4.311 5.827 2.289 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.956 4.621 3.718 1.00 0.00 C ATOM 0 H ILE A 76 -4.173 6.906 6.133 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.936 8.239 3.609 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.592 5.359 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.006 6.745 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.395 6.150 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.958 4.828 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.382 5.894 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.787 6.564 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.896 4.612 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.470 3.838 4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.075 4.442 2.649 1.00 0.00 H new ATOM 1256 N THR A 77 -6.279 8.750 3.051 1.00 0.00 N ATOM 1257 CA THR A 77 -7.643 9.068 2.662 1.00 0.00 C ATOM 1258 C THR A 77 -7.941 8.623 1.231 1.00 0.00 C ATOM 1259 O THR A 77 -8.831 7.806 1.010 1.00 0.00 O ATOM 1260 CB THR A 77 -7.946 10.581 2.841 1.00 0.00 C ATOM 1261 OG1 THR A 77 -9.234 10.907 2.302 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.882 11.457 2.190 1.00 0.00 C ATOM 0 H THR A 77 -5.580 9.411 2.713 1.00 0.00 H new ATOM 0 HA THR A 77 -8.302 8.510 3.327 1.00 0.00 H new ATOM 0 HB THR A 77 -7.940 10.782 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.408 11.864 2.425 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.134 12.507 2.339 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.912 11.248 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.838 11.243 1.122 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.191 9.150 0.273 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.410 8.865 -1.142 1.00 0.00 C ATOM 1272 C GLU A 78 -6.337 9.558 -1.975 1.00 0.00 C ATOM 1273 O GLU A 78 -5.765 10.553 -1.531 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.802 9.343 -1.558 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.185 8.986 -2.980 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.637 9.280 -3.266 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.965 10.440 -3.592 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -11.462 8.348 -3.163 1.00 0.00 O ATOM 0 H GLU A 78 -6.414 9.786 0.452 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.347 7.790 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.538 8.915 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.851 10.426 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.558 9.545 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.988 7.928 -3.153 1.00 0.00 H new ATOM 1285 N PHE A 79 -6.050 9.010 -3.162 1.00 0.00 N ATOM 1286 CA PHE A 79 -5.028 9.562 -4.065 1.00 0.00 C ATOM 1287 C PHE A 79 -3.665 9.624 -3.386 1.00 0.00 C ATOM 1288 O PHE A 79 -2.784 10.388 -3.789 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.431 10.952 -4.567 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.475 10.925 -5.646 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -6.117 10.656 -6.957 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.805 11.167 -5.355 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -7.069 10.628 -7.957 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -8.763 11.140 -6.351 1.00 0.00 C ATOM 1295 CZ PHE A 79 -8.393 10.870 -7.654 1.00 0.00 C ATOM 0 H PHE A 79 -6.515 8.177 -3.523 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.954 8.892 -4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.804 11.538 -3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.545 11.464 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.082 10.466 -7.200 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.099 11.380 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.777 10.417 -8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.799 11.330 -6.111 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.139 10.848 -8.435 1.00 0.00 H new ATOM 1305 N SER A 80 -3.501 8.803 -2.361 1.00 0.00 N ATOM 1306 CA SER A 80 -2.262 8.735 -1.620 1.00 0.00 C ATOM 1307 C SER A 80 -1.189 8.054 -2.451 1.00 0.00 C ATOM 1308 O SER A 80 -1.410 6.976 -3.008 1.00 0.00 O ATOM 1309 CB SER A 80 -2.495 7.976 -0.319 1.00 0.00 C ATOM 1310 OG SER A 80 -3.252 6.800 -0.553 1.00 0.00 O ATOM 0 H SER A 80 -4.224 8.168 -2.024 1.00 0.00 H new ATOM 0 HA SER A 80 -1.921 9.744 -1.388 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.538 7.714 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.018 8.615 0.392 1.00 0.00 H new ATOM 0 HG SER A 80 -4.201 6.984 -0.390 1.00 0.00 H new ATOM 1316 N GLU A 81 -0.036 8.686 -2.537 1.00 0.00 N ATOM 1317 CA GLU A 81 1.056 8.158 -3.326 1.00 0.00 C ATOM 1318 C GLU A 81 1.950 7.291 -2.457 1.00 0.00 C ATOM 1319 O GLU A 81 2.840 7.786 -1.769 1.00 0.00 O ATOM 1320 CB GLU A 81 1.838 9.301 -3.968 1.00 0.00 C ATOM 1321 CG GLU A 81 1.030 10.052 -5.011 1.00 0.00 C ATOM 1322 CD GLU A 81 1.714 11.312 -5.494 1.00 0.00 C ATOM 1323 OE1 GLU A 81 2.563 11.221 -6.404 1.00 0.00 O ATOM 1324 OE2 GLU A 81 1.395 12.398 -4.968 1.00 0.00 O ATOM 0 H GLU A 81 0.168 9.569 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 81 0.658 7.534 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.158 9.997 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.741 8.903 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.846 9.396 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.058 10.311 -4.592 1.00 0.00 H new ATOM 1331 N ILE A 82 1.687 5.996 -2.478 1.00 0.00 N ATOM 1332 CA ILE A 82 2.403 5.059 -1.636 1.00 0.00 C ATOM 1333 C ILE A 82 3.737 4.720 -2.272 1.00 0.00 C ATOM 1334 O ILE A 82 3.791 4.144 -3.361 1.00 0.00 O ATOM 1335 CB ILE A 82 1.603 3.759 -1.414 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.178 4.075 -0.951 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.305 2.864 -0.402 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.109 4.930 0.299 1.00 0.00 C ATOM 0 H ILE A 82 0.978 5.569 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 82 2.553 5.534 -0.667 1.00 0.00 H new ATOM 0 HB ILE A 82 1.546 3.227 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.350 4.585 -1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.349 3.139 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.725 1.952 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.299 2.608 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.394 3.390 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.934 5.108 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.606 4.414 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.605 5.883 0.116 1.00 0.00 H new ATOM 1350 N VAL A 83 4.805 5.093 -1.597 1.00 0.00 N ATOM 1351 CA VAL A 83 6.140 4.872 -2.115 1.00 0.00 C ATOM 1352 C VAL A 83 6.628 3.490 -1.717 1.00 0.00 C ATOM 1353 O VAL A 83 6.698 3.167 -0.530 1.00 0.00 O ATOM 1354 CB VAL A 83 7.141 5.929 -1.611 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.443 5.838 -2.384 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.553 7.326 -1.715 1.00 0.00 C ATOM 0 H VAL A 83 4.774 5.552 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 83 6.083 4.954 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 83 7.348 5.728 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.139 6.592 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.877 4.847 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.250 6.010 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.279 8.054 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.310 7.542 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.648 7.386 -1.111 1.00 0.00 H new ATOM 1366 N VAL A 84 6.942 2.675 -2.708 1.00 0.00 N ATOM 1367 CA VAL A 84 7.389 1.321 -2.458 1.00 0.00 C ATOM 1368 C VAL A 84 8.905 1.228 -2.575 1.00 0.00 C ATOM 1369 O VAL A 84 9.469 1.287 -3.671 1.00 0.00 O ATOM 1370 CB VAL A 84 6.729 0.318 -3.426 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.187 -1.101 -3.127 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.212 0.413 -3.345 1.00 0.00 C ATOM 0 H VAL A 84 6.895 2.930 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 84 7.090 1.062 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 84 7.038 0.573 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.709 -1.792 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.269 -1.165 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.911 -1.365 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.765 -0.302 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.887 0.188 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.896 1.421 -3.612 1.00 0.00 H new ATOM 1382 N PHE A 85 9.556 1.116 -1.432 1.00 0.00 N ATOM 1383 CA PHE A 85 10.996 0.940 -1.382 1.00 0.00 C ATOM 1384 C PHE A 85 11.334 -0.540 -1.354 1.00 0.00 C ATOM 1385 O PHE A 85 10.865 -1.277 -0.484 1.00 0.00 O ATOM 1386 CB PHE A 85 11.587 1.637 -0.153 1.00 0.00 C ATOM 1387 CG PHE A 85 11.689 3.131 -0.283 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.814 3.711 -0.841 1.00 0.00 C ATOM 1389 CD2 PHE A 85 10.668 3.953 0.159 1.00 0.00 C ATOM 1390 CE1 PHE A 85 12.918 5.085 -0.955 1.00 0.00 C ATOM 1391 CE2 PHE A 85 10.766 5.327 0.048 1.00 0.00 C ATOM 1392 CZ PHE A 85 11.893 5.893 -0.510 1.00 0.00 C ATOM 0 H PHE A 85 9.105 1.144 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 85 11.431 1.392 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.973 1.400 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.580 1.231 0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.620 3.084 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.783 3.515 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.802 5.525 -1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.961 5.957 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.973 6.966 -0.598 1.00 0.00 H new ATOM 1402 N LEU A 86 12.135 -0.974 -2.310 1.00 0.00 N ATOM 1403 CA LEU A 86 12.520 -2.372 -2.400 1.00 0.00 C ATOM 1404 C LEU A 86 13.881 -2.572 -1.764 1.00 0.00 C ATOM 1405 O LEU A 86 14.859 -1.935 -2.151 1.00 0.00 O ATOM 1406 CB LEU A 86 12.537 -2.839 -3.857 1.00 0.00 C ATOM 1407 CG LEU A 86 11.261 -2.568 -4.657 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.363 -3.162 -6.052 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.043 -3.120 -3.939 1.00 0.00 C ATOM 0 H LEU A 86 12.532 -0.378 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 86 11.785 -2.971 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.371 -2.355 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.733 -3.911 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 86 11.147 -1.488 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.445 -2.957 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.208 -2.716 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.509 -4.240 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.149 -2.914 -4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.153 -4.197 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.951 -2.646 -2.962 1.00 0.00 H new ATOM 1421 N LYS A 87 13.930 -3.459 -0.788 1.00 0.00 N ATOM 1422 CA LYS A 87 15.113 -3.631 0.037 1.00 0.00 C ATOM 1423 C LYS A 87 16.024 -4.727 -0.500 1.00 0.00 C ATOM 1424 O LYS A 87 15.572 -5.841 -0.776 1.00 0.00 O ATOM 1425 CB LYS A 87 14.692 -3.949 1.475 1.00 0.00 C ATOM 1426 CG LYS A 87 14.300 -2.728 2.299 1.00 0.00 C ATOM 1427 CD LYS A 87 13.280 -1.846 1.600 1.00 0.00 C ATOM 1428 CE LYS A 87 13.022 -0.567 2.381 1.00 0.00 C ATOM 1429 NZ LYS A 87 14.259 0.236 2.559 1.00 0.00 N ATOM 0 H LYS A 87 13.156 -4.078 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 87 15.679 -2.699 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.850 -4.641 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.512 -4.463 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.894 -3.057 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.192 -2.141 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.636 -1.598 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.346 -2.394 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.274 0.031 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.608 -0.816 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.005 1.216 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.829 -0.170 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.810 0.225 1.677 1.00 0.00 H new ATOM 1443 N SER A 88 17.303 -4.380 -0.663 1.00 0.00 N ATOM 1444 CA SER A 88 18.342 -5.332 -1.062 1.00 0.00 C ATOM 1445 C SER A 88 18.023 -5.986 -2.404 1.00 0.00 C ATOM 1446 O SER A 88 18.198 -7.194 -2.582 1.00 0.00 O ATOM 1447 CB SER A 88 18.508 -6.393 0.026 1.00 0.00 C ATOM 1448 OG SER A 88 18.864 -5.799 1.267 1.00 0.00 O ATOM 0 H SER A 88 17.647 -3.430 -0.522 1.00 0.00 H new ATOM 0 HA SER A 88 19.278 -4.786 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.579 -6.951 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.275 -7.108 -0.272 1.00 0.00 H new ATOM 0 HG SER A 88 18.963 -6.497 1.947 1.00 0.00 H new ATOM 1454 N ILE A 89 17.571 -5.183 -3.353 1.00 0.00 N ATOM 1455 CA ILE A 89 17.201 -5.696 -4.664 1.00 0.00 C ATOM 1456 C ILE A 89 18.385 -5.707 -5.624 1.00 0.00 C ATOM 1457 O ILE A 89 19.070 -4.699 -5.809 1.00 0.00 O ATOM 1458 CB ILE A 89 16.047 -4.894 -5.294 1.00 0.00 C ATOM 1459 CG1 ILE A 89 16.328 -3.387 -5.212 1.00 0.00 C ATOM 1460 CG2 ILE A 89 14.737 -5.247 -4.614 1.00 0.00 C ATOM 1461 CD1 ILE A 89 15.308 -2.533 -5.933 1.00 0.00 C ATOM 0 H ILE A 89 17.451 -4.176 -3.242 1.00 0.00 H new ATOM 0 HA ILE A 89 16.868 -6.721 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 89 15.967 -5.158 -6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 89 16.360 -3.090 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 89 17.315 -3.188 -5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 89 13.927 -4.675 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 89 14.540 -6.312 -4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 89 14.802 -5.008 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 89 15.575 -1.481 -5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 89 15.291 -2.801 -6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.322 -2.701 -5.500 1.00 0.00 H new ATOM 1473 N ASN A 90 18.611 -6.858 -6.228 1.00 0.00 N ATOM 1474 CA ASN A 90 19.644 -7.021 -7.238 1.00 0.00 C ATOM 1475 C ASN A 90 19.048 -7.819 -8.390 1.00 0.00 C ATOM 1476 O ASN A 90 18.009 -8.456 -8.221 1.00 0.00 O ATOM 1477 CB ASN A 90 20.860 -7.751 -6.646 1.00 0.00 C ATOM 1478 CG ASN A 90 22.142 -7.529 -7.437 1.00 0.00 C ATOM 1479 OD1 ASN A 90 22.120 -7.255 -8.637 1.00 0.00 O ATOM 1480 ND2 ASN A 90 23.274 -7.653 -6.765 1.00 0.00 N ATOM 0 H ASN A 90 18.084 -7.709 -6.033 1.00 0.00 H new ATOM 0 HA ASN A 90 19.985 -6.048 -7.593 1.00 0.00 H new ATOM 0 HB2 ASN A 90 21.012 -7.415 -5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 90 20.648 -8.819 -6.604 1.00 0.00 H new ATOM 0 HD21 ASN A 90 24.167 -7.521 -7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 90 23.255 -7.881 -5.771 1.00 0.00 H new ATOM 1487 N ARG A 91 19.680 -7.773 -9.550 1.00 0.00 N ATOM 1488 CA ARG A 91 19.168 -8.478 -10.714 1.00 0.00 C ATOM 1489 C ARG A 91 19.181 -9.983 -10.490 1.00 0.00 C ATOM 1490 O ARG A 91 20.137 -10.539 -9.942 1.00 0.00 O ATOM 1491 CB ARG A 91 19.973 -8.132 -11.968 1.00 0.00 C ATOM 1492 CG ARG A 91 19.809 -6.693 -12.421 1.00 0.00 C ATOM 1493 CD ARG A 91 20.436 -6.460 -13.786 1.00 0.00 C ATOM 1494 NE ARG A 91 20.259 -5.082 -14.235 1.00 0.00 N ATOM 1495 CZ ARG A 91 20.069 -4.725 -15.509 1.00 0.00 C ATOM 1496 NH1 ARG A 91 20.031 -5.645 -16.470 1.00 0.00 N ATOM 1497 NH2 ARG A 91 19.918 -3.447 -15.820 1.00 0.00 N ATOM 0 H ARG A 91 20.545 -7.257 -9.712 1.00 0.00 H new ATOM 0 HA ARG A 91 18.138 -8.155 -10.863 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.028 -8.325 -11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 91 19.670 -8.795 -12.778 1.00 0.00 H new ATOM 0 HG2 ARG A 91 18.749 -6.442 -12.459 1.00 0.00 H new ATOM 0 HG3 ARG A 91 20.268 -6.027 -11.691 1.00 0.00 H new ATOM 0 HD2 ARG A 91 21.500 -6.694 -13.742 1.00 0.00 H new ATOM 0 HD3 ARG A 91 19.989 -7.139 -14.512 1.00 0.00 H new ATOM 0 HE ARG A 91 20.282 -4.344 -13.531 1.00 0.00 H new ATOM 0 HH11 ARG A 91 20.147 -6.631 -16.237 1.00 0.00 H new ATOM 0 HH12 ARG A 91 19.886 -5.364 -17.440 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.947 -2.737 -15.088 1.00 0.00 H new ATOM 0 HH22 ARG A 91 19.773 -3.172 -16.792 1.00 0.00 H new ATOM 1511 N ALA A 92 18.097 -10.624 -10.887 1.00 0.00 N ATOM 1512 CA ALA A 92 17.984 -12.068 -10.829 1.00 0.00 C ATOM 1513 C ALA A 92 17.756 -12.605 -12.235 1.00 0.00 C ATOM 1514 O ALA A 92 16.883 -13.446 -12.466 1.00 0.00 O ATOM 1515 CB ALA A 92 16.850 -12.475 -9.899 1.00 0.00 C ATOM 0 H ALA A 92 17.270 -10.157 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 92 18.906 -12.492 -10.431 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.778 -13.562 -9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 92 17.047 -12.094 -8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 92 15.911 -12.060 -10.267 1.00 0.00 H new ATOM 1521 N LYS A 93 18.566 -12.110 -13.163 1.00 0.00 N ATOM 1522 CA LYS A 93 18.422 -12.421 -14.578 1.00 0.00 C ATOM 1523 C LYS A 93 18.702 -13.894 -14.855 1.00 0.00 C ATOM 1524 O LYS A 93 17.941 -14.560 -15.561 1.00 0.00 O ATOM 1525 CB LYS A 93 19.375 -11.546 -15.400 1.00 0.00 C ATOM 1526 CG LYS A 93 19.512 -11.982 -16.850 1.00 0.00 C ATOM 1527 CD LYS A 93 20.673 -11.281 -17.533 1.00 0.00 C ATOM 1528 CE LYS A 93 21.095 -12.009 -18.800 1.00 0.00 C ATOM 1529 NZ LYS A 93 21.451 -13.428 -18.528 1.00 0.00 N ATOM 0 H LYS A 93 19.342 -11.481 -12.954 1.00 0.00 H new ATOM 0 HA LYS A 93 17.392 -12.214 -14.867 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.022 -10.515 -15.372 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.359 -11.558 -14.932 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.660 -13.061 -16.894 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.588 -11.764 -17.386 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.389 -10.258 -17.778 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.518 -11.222 -16.847 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.285 -11.970 -19.529 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.949 -11.499 -19.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.315 -13.676 -19.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.615 -13.555 -17.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.672 -14.046 -18.833 1.00 0.00 H new ATOM 1543 N ASP A 94 19.796 -14.391 -14.303 1.00 0.00 N ATOM 1544 CA ASP A 94 20.207 -15.769 -14.524 1.00 0.00 C ATOM 1545 C ASP A 94 20.932 -16.296 -13.300 1.00 0.00 C ATOM 1546 O ASP A 94 21.254 -15.483 -12.413 1.00 0.00 O ATOM 1547 CB ASP A 94 21.108 -15.886 -15.760 1.00 0.00 C ATOM 1548 CG ASP A 94 22.382 -15.070 -15.650 1.00 0.00 C ATOM 1549 OD1 ASP A 94 22.373 -13.886 -16.052 1.00 0.00 O ATOM 1550 OD2 ASP A 94 23.406 -15.611 -15.181 1.00 0.00 O ATOM 1551 OXT ASP A 94 21.160 -17.521 -13.222 1.00 0.00 O ATOM 0 H ASP A 94 20.419 -13.859 -13.696 1.00 0.00 H new ATOM 0 HA ASP A 94 19.313 -16.367 -14.699 1.00 0.00 H new ATOM 0 HB2 ASP A 94 21.367 -16.933 -15.915 1.00 0.00 H new ATOM 0 HB3 ASP A 94 20.551 -15.562 -16.639 1.00 0.00 H new TER 1556 ASP A 94