USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 861 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.146 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.395 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 63:sc= 0.97 USER MOD Single : A 17 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.1) USER MOD Single : A 22 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-3.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 1.02 K(o=1,f=-7.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -151:sc= -6.83! (180deg=-11!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.17) USER MOD Single : A 72 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= -0.32 (180deg=-1.01) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 104:sc= 0.995 USER MOD Single : A 80 SER OG : rot 180:sc= -0.656 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0502 USER MOD Single : A 84 LYS NZ :NH3+ -149:sc= -0.37 (180deg=-2.07!) USER MOD Single : A 89 TYR OH : rot 43:sc= 0.888 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.195 USER MOD Single : A 96 LYS NZ :NH3+ -144:sc= -0.808 (180deg=-1.31) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.644 X(o=-0.64,f=-1) USER MOD Single : A 101 GLN : amide:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 103 SER OG : rot 29:sc= 0.901 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0627 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.169) USER MOD Single : A 113 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.256 29.418 -12.466 1.00 0.00 N ATOM 2 CA GLY A 1 6.393 29.984 -11.764 1.00 0.00 C ATOM 3 C GLY A 1 6.589 29.375 -10.390 1.00 0.00 C ATOM 4 O GLY A 1 7.628 28.777 -10.111 1.00 0.00 O ATOM 0 H1 GLY A 1 5.165 29.868 -13.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.397 28.395 -12.587 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.390 29.585 -11.916 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.295 29.832 -12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.255 31.061 -11.664 1.00 0.00 H new ATOM 8 N SER A 2 5.588 29.529 -9.529 1.00 0.00 N ATOM 9 CA SER A 2 5.657 28.994 -8.174 1.00 0.00 C ATOM 10 C SER A 2 4.593 27.922 -7.958 1.00 0.00 C ATOM 11 O SER A 2 3.407 28.154 -8.189 1.00 0.00 O ATOM 12 CB SER A 2 5.481 30.117 -7.150 1.00 0.00 C ATOM 13 OG SER A 2 4.288 30.844 -7.391 1.00 0.00 O ATOM 0 H SER A 2 4.720 30.019 -9.745 1.00 0.00 H new ATOM 0 HA SER A 2 6.638 28.539 -8.039 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.458 29.696 -6.145 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.337 30.791 -7.194 1.00 0.00 H new ATOM 0 HG SER A 2 3.579 30.227 -7.669 1.00 0.00 H new ATOM 19 N SER A 3 5.028 26.747 -7.514 1.00 0.00 N ATOM 20 CA SER A 3 4.114 25.636 -7.270 1.00 0.00 C ATOM 21 C SER A 3 4.574 24.808 -6.074 1.00 0.00 C ATOM 22 O SER A 3 5.770 24.613 -5.862 1.00 0.00 O ATOM 23 CB SER A 3 4.014 24.749 -8.512 1.00 0.00 C ATOM 24 OG SER A 3 3.584 25.493 -9.638 1.00 0.00 O ATOM 0 H SER A 3 6.007 26.539 -7.316 1.00 0.00 H new ATOM 0 HA SER A 3 3.130 26.048 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.984 24.298 -8.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.317 23.933 -8.324 1.00 0.00 H new ATOM 0 HG SER A 3 3.530 24.903 -10.419 1.00 0.00 H new ATOM 30 N GLY A 4 3.612 24.322 -5.295 1.00 0.00 N ATOM 31 CA GLY A 4 3.937 23.520 -4.130 1.00 0.00 C ATOM 32 C GLY A 4 2.751 23.336 -3.203 1.00 0.00 C ATOM 33 O GLY A 4 1.615 23.636 -3.572 1.00 0.00 O ATOM 0 H GLY A 4 2.615 24.469 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.296 22.543 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.752 23.994 -3.583 1.00 0.00 H new ATOM 37 N SER A 5 3.014 22.841 -1.998 1.00 0.00 N ATOM 38 CA SER A 5 1.958 22.613 -1.018 1.00 0.00 C ATOM 39 C SER A 5 1.792 23.825 -0.107 1.00 0.00 C ATOM 40 O SER A 5 2.749 24.283 0.517 1.00 0.00 O ATOM 41 CB SER A 5 2.270 21.371 -0.182 1.00 0.00 C ATOM 42 OG SER A 5 3.410 21.578 0.634 1.00 0.00 O ATOM 0 H SER A 5 3.949 22.590 -1.677 1.00 0.00 H new ATOM 0 HA SER A 5 1.024 22.455 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.412 21.125 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.440 20.519 -0.840 1.00 0.00 H new ATOM 0 HG SER A 5 3.555 22.540 0.755 1.00 0.00 H new ATOM 48 N SER A 6 0.568 24.340 -0.036 1.00 0.00 N ATOM 49 CA SER A 6 0.275 25.502 0.796 1.00 0.00 C ATOM 50 C SER A 6 1.032 25.428 2.118 1.00 0.00 C ATOM 51 O SER A 6 1.747 26.357 2.490 1.00 0.00 O ATOM 52 CB SER A 6 -1.228 25.600 1.060 1.00 0.00 C ATOM 53 OG SER A 6 -1.512 26.593 2.030 1.00 0.00 O ATOM 0 H SER A 6 -0.236 23.971 -0.544 1.00 0.00 H new ATOM 0 HA SER A 6 0.601 26.394 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.749 25.835 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.604 24.636 1.402 1.00 0.00 H new ATOM 0 HG SER A 6 -2.480 26.637 2.180 1.00 0.00 H new ATOM 59 N GLY A 7 0.868 24.313 2.825 1.00 0.00 N ATOM 60 CA GLY A 7 1.541 24.137 4.099 1.00 0.00 C ATOM 61 C GLY A 7 2.305 22.830 4.175 1.00 0.00 C ATOM 62 O GLY A 7 3.533 22.816 4.100 1.00 0.00 O ATOM 0 H GLY A 7 0.282 23.529 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.229 24.967 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.806 24.172 4.903 1.00 0.00 H new ATOM 66 N GLU A 8 1.575 21.729 4.327 1.00 0.00 N ATOM 67 CA GLU A 8 2.193 20.411 4.417 1.00 0.00 C ATOM 68 C GLU A 8 1.280 19.341 3.825 1.00 0.00 C ATOM 69 O GLU A 8 0.114 19.599 3.527 1.00 0.00 O ATOM 70 CB GLU A 8 2.516 20.072 5.873 1.00 0.00 C ATOM 71 CG GLU A 8 1.295 20.045 6.777 1.00 0.00 C ATOM 72 CD GLU A 8 1.451 19.082 7.939 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.089 17.898 7.780 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.935 19.513 9.006 1.00 0.00 O ATOM 0 H GLU A 8 0.557 21.724 4.390 1.00 0.00 H new ATOM 0 HA GLU A 8 3.119 20.433 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.007 19.100 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.227 20.803 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.111 21.048 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.420 19.763 6.191 1.00 0.00 H new ATOM 81 N VAL A 9 1.819 18.137 3.658 1.00 0.00 N ATOM 82 CA VAL A 9 1.054 17.027 3.103 1.00 0.00 C ATOM 83 C VAL A 9 0.262 16.308 4.189 1.00 0.00 C ATOM 84 O VAL A 9 0.798 15.977 5.247 1.00 0.00 O ATOM 85 CB VAL A 9 1.971 16.012 2.395 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.002 15.456 3.365 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.148 14.891 1.778 1.00 0.00 C ATOM 0 H VAL A 9 2.783 17.906 3.899 1.00 0.00 H new ATOM 0 HA VAL A 9 0.363 17.452 2.374 1.00 0.00 H new ATOM 0 HB VAL A 9 2.502 16.526 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.641 14.741 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.612 16.271 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.493 14.957 4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.812 14.183 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.589 14.377 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.453 15.308 1.049 1.00 0.00 H new ATOM 97 N ASP A 10 -1.017 16.069 3.921 1.00 0.00 N ATOM 98 CA ASP A 10 -1.884 15.388 4.875 1.00 0.00 C ATOM 99 C ASP A 10 -2.223 13.981 4.392 1.00 0.00 C ATOM 100 O ASP A 10 -2.615 13.769 3.245 1.00 0.00 O ATOM 101 CB ASP A 10 -3.169 16.189 5.092 1.00 0.00 C ATOM 102 CG ASP A 10 -3.750 15.988 6.478 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.070 16.342 7.464 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.884 15.477 6.577 1.00 0.00 O ATOM 0 H ASP A 10 -1.476 16.337 3.051 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.350 15.310 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.964 17.248 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.907 15.895 4.346 1.00 0.00 H new ATOM 109 N PRO A 11 -2.068 12.994 5.288 1.00 0.00 N ATOM 110 CA PRO A 11 -2.352 11.590 4.976 1.00 0.00 C ATOM 111 C PRO A 11 -3.843 11.326 4.797 1.00 0.00 C ATOM 112 O PRO A 11 -4.254 10.658 3.849 1.00 0.00 O ATOM 113 CB PRO A 11 -1.819 10.841 6.200 1.00 0.00 C ATOM 114 CG PRO A 11 -1.873 11.837 7.307 1.00 0.00 C ATOM 115 CD PRO A 11 -1.605 13.174 6.674 1.00 0.00 C ATOM 0 HA PRO A 11 -1.894 11.280 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.429 9.966 6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.801 10.487 6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.847 11.825 7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.130 11.611 8.072 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.148 13.973 7.178 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.547 13.433 6.714 1.00 0.00 H new ATOM 123 N ALA A 12 -4.647 11.854 5.713 1.00 0.00 N ATOM 124 CA ALA A 12 -6.093 11.677 5.654 1.00 0.00 C ATOM 125 C ALA A 12 -6.643 12.107 4.299 1.00 0.00 C ATOM 126 O ALA A 12 -7.706 11.651 3.875 1.00 0.00 O ATOM 127 CB ALA A 12 -6.766 12.459 6.772 1.00 0.00 C ATOM 0 H ALA A 12 -4.322 12.408 6.505 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.311 10.617 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.845 12.318 6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.403 12.102 7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.533 13.518 6.666 1.00 0.00 H new ATOM 133 N LYS A 13 -5.915 12.989 3.622 1.00 0.00 N ATOM 134 CA LYS A 13 -6.330 13.481 2.314 1.00 0.00 C ATOM 135 C LYS A 13 -5.720 12.639 1.197 1.00 0.00 C ATOM 136 O LYS A 13 -6.348 12.416 0.162 1.00 0.00 O ATOM 137 CB LYS A 13 -5.920 14.946 2.144 1.00 0.00 C ATOM 138 CG LYS A 13 -6.381 15.842 3.280 1.00 0.00 C ATOM 139 CD LYS A 13 -7.755 16.431 3.004 1.00 0.00 C ATOM 140 CE LYS A 13 -8.862 15.540 3.547 1.00 0.00 C ATOM 141 NZ LYS A 13 -10.136 15.721 2.798 1.00 0.00 N ATOM 0 H LYS A 13 -5.034 13.378 3.958 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.415 13.404 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.834 15.004 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.329 15.323 1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.409 15.270 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.661 16.648 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.826 17.419 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.887 16.563 1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.551 14.497 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.025 15.765 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.865 15.097 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.447 16.711 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.987 15.482 1.797 1.00 0.00 H new ATOM 155 N CYS A 14 -4.495 12.174 1.415 1.00 0.00 N ATOM 156 CA CYS A 14 -3.801 11.355 0.427 1.00 0.00 C ATOM 157 C CYS A 14 -4.712 10.252 -0.101 1.00 0.00 C ATOM 158 O CYS A 14 -5.672 9.855 0.559 1.00 0.00 O ATOM 159 CB CYS A 14 -2.539 10.743 1.037 1.00 0.00 C ATOM 160 SG CYS A 14 -1.173 11.911 1.234 1.00 0.00 S ATOM 0 H CYS A 14 -3.962 12.350 2.267 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.518 11.997 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.787 10.322 2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.208 9.917 0.408 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.520 12.848 2.066 1.00 0.00 H new ATOM 166 N VAL A 15 -4.405 9.762 -1.298 1.00 0.00 N ATOM 167 CA VAL A 15 -5.196 8.704 -1.917 1.00 0.00 C ATOM 168 C VAL A 15 -4.301 7.668 -2.587 1.00 0.00 C ATOM 169 O VAL A 15 -3.083 7.840 -2.662 1.00 0.00 O ATOM 170 CB VAL A 15 -6.175 9.274 -2.961 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.510 9.610 -2.314 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.577 10.498 -3.639 1.00 0.00 C ATOM 0 H VAL A 15 -3.615 10.080 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.764 8.226 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.350 8.515 -3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.188 10.011 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.942 8.708 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.358 10.352 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.282 10.888 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.371 11.264 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.649 10.220 -4.139 1.00 0.00 H new ATOM 182 N LEU A 16 -4.911 6.593 -3.073 1.00 0.00 N ATOM 183 CA LEU A 16 -4.169 5.528 -3.738 1.00 0.00 C ATOM 184 C LEU A 16 -4.737 5.255 -5.127 1.00 0.00 C ATOM 185 O LEU A 16 -5.917 5.493 -5.383 1.00 0.00 O ATOM 186 CB LEU A 16 -4.209 4.250 -2.898 1.00 0.00 C ATOM 187 CG LEU A 16 -3.825 4.402 -1.426 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.560 3.379 -0.574 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.320 4.263 -1.251 1.00 0.00 C ATOM 0 H LEU A 16 -5.917 6.436 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.134 5.852 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.216 3.837 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.541 3.519 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.119 5.398 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.274 3.503 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.635 3.526 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.298 2.374 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.064 4.374 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.002 3.280 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.814 5.035 -1.830 1.00 0.00 H new ATOM 201 N GLN A 17 -3.889 4.752 -6.019 1.00 0.00 N ATOM 202 CA GLN A 17 -4.307 4.445 -7.382 1.00 0.00 C ATOM 203 C GLN A 17 -3.993 2.995 -7.734 1.00 0.00 C ATOM 204 O GLN A 17 -3.207 2.337 -7.054 1.00 0.00 O ATOM 205 CB GLN A 17 -3.617 5.384 -8.373 1.00 0.00 C ATOM 206 CG GLN A 17 -4.239 6.770 -8.431 1.00 0.00 C ATOM 207 CD GLN A 17 -3.784 7.563 -9.641 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.759 8.244 -9.602 1.00 0.00 O ATOM 209 NE2 GLN A 17 -4.547 7.479 -10.725 1.00 0.00 N ATOM 0 H GLN A 17 -2.909 4.549 -5.822 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.385 4.590 -7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.566 5.478 -8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.650 4.938 -9.367 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.325 6.676 -8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.982 7.318 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.388 6.902 -10.713 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.292 7.991 -11.569 1.00 0.00 H new ATOM 218 N GLY A 18 -4.614 2.503 -8.802 1.00 0.00 N ATOM 219 CA GLY A 18 -4.388 1.133 -9.225 1.00 0.00 C ATOM 220 C GLY A 18 -5.657 0.305 -9.210 1.00 0.00 C ATOM 221 O GLY A 18 -6.510 0.481 -8.341 1.00 0.00 O ATOM 0 H GLY A 18 -5.269 3.028 -9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.969 1.131 -10.231 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.649 0.671 -8.571 1.00 0.00 H new ATOM 225 N GLU A 19 -5.783 -0.601 -10.176 1.00 0.00 N ATOM 226 CA GLU A 19 -6.959 -1.457 -10.271 1.00 0.00 C ATOM 227 C GLU A 19 -6.785 -2.717 -9.427 1.00 0.00 C ATOM 228 O GLU A 19 -5.662 -3.132 -9.138 1.00 0.00 O ATOM 229 CB GLU A 19 -7.224 -1.839 -11.729 1.00 0.00 C ATOM 230 CG GLU A 19 -7.607 -0.660 -12.607 1.00 0.00 C ATOM 231 CD GLU A 19 -8.913 -0.016 -12.182 1.00 0.00 C ATOM 232 OE1 GLU A 19 -9.726 -0.700 -11.527 1.00 0.00 O ATOM 233 OE2 GLU A 19 -9.121 1.172 -12.506 1.00 0.00 O ATOM 0 H GLU A 19 -5.085 -0.760 -10.903 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.814 -0.899 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.332 -2.312 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.022 -2.580 -11.762 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.812 0.085 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.691 -0.994 -13.641 1.00 0.00 H new ATOM 240 N ASP A 20 -7.902 -3.319 -9.036 1.00 0.00 N ATOM 241 CA ASP A 20 -7.874 -4.531 -8.226 1.00 0.00 C ATOM 242 C ASP A 20 -6.889 -4.389 -7.069 1.00 0.00 C ATOM 243 O ASP A 20 -6.132 -5.313 -6.767 1.00 0.00 O ATOM 244 CB ASP A 20 -7.497 -5.737 -9.087 1.00 0.00 C ATOM 245 CG ASP A 20 -6.332 -5.446 -10.014 1.00 0.00 C ATOM 246 OD1 ASP A 20 -6.561 -4.837 -11.079 1.00 0.00 O ATOM 247 OD2 ASP A 20 -5.193 -5.827 -9.673 1.00 0.00 O ATOM 0 H ASP A 20 -8.839 -2.988 -9.267 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.871 -4.686 -7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.242 -6.576 -8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.361 -6.042 -9.678 1.00 0.00 H new ATOM 252 N LEU A 21 -6.904 -3.227 -6.425 1.00 0.00 N ATOM 253 CA LEU A 21 -6.012 -2.963 -5.302 1.00 0.00 C ATOM 254 C LEU A 21 -6.290 -3.922 -4.149 1.00 0.00 C ATOM 255 O LEU A 21 -5.373 -4.345 -3.444 1.00 0.00 O ATOM 256 CB LEU A 21 -6.171 -1.518 -4.828 1.00 0.00 C ATOM 257 CG LEU A 21 -5.253 -0.489 -5.491 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.717 0.923 -5.172 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.813 -0.694 -5.045 1.00 0.00 C ATOM 0 H LEU A 21 -7.524 -2.453 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.987 -3.117 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.204 -1.214 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.999 -1.489 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.301 -0.629 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.052 1.641 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.732 1.065 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.699 1.077 -4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.174 0.046 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.748 -0.581 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.484 -1.694 -5.326 1.00 0.00 H new ATOM 271 N HIS A 22 -7.561 -4.263 -3.962 1.00 0.00 N ATOM 272 CA HIS A 22 -7.961 -5.174 -2.896 1.00 0.00 C ATOM 273 C HIS A 22 -7.945 -6.620 -3.383 1.00 0.00 C ATOM 274 O HIS A 22 -8.670 -7.468 -2.863 1.00 0.00 O ATOM 275 CB HIS A 22 -9.354 -4.812 -2.381 1.00 0.00 C ATOM 276 CG HIS A 22 -9.347 -3.738 -1.337 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.878 -3.911 -0.077 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.866 -2.474 -1.372 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.727 -2.797 0.618 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.115 -1.910 -0.145 1.00 0.00 N ATOM 0 H HIS A 22 -8.332 -3.922 -4.536 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.245 -5.076 -2.080 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.969 -4.487 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.823 -5.705 -1.968 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.377 -1.997 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.049 -2.639 1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.867 -0.960 0.132 1.00 0.00 H new ATOM 289 N ARG A 23 -7.115 -6.893 -4.385 1.00 0.00 N ATOM 290 CA ARG A 23 -7.007 -8.236 -4.943 1.00 0.00 C ATOM 291 C ARG A 23 -5.576 -8.527 -5.385 1.00 0.00 C ATOM 292 O ARG A 23 -5.003 -7.795 -6.191 1.00 0.00 O ATOM 293 CB ARG A 23 -7.961 -8.396 -6.129 1.00 0.00 C ATOM 294 CG ARG A 23 -8.428 -9.826 -6.346 1.00 0.00 C ATOM 295 CD ARG A 23 -7.440 -10.612 -7.194 1.00 0.00 C ATOM 296 NE ARG A 23 -7.536 -10.264 -8.609 1.00 0.00 N ATOM 297 CZ ARG A 23 -6.576 -10.512 -9.494 1.00 0.00 C ATOM 298 NH1 ARG A 23 -5.455 -11.107 -9.111 1.00 0.00 N ATOM 299 NH2 ARG A 23 -6.738 -10.165 -10.765 1.00 0.00 N ATOM 0 H ARG A 23 -6.508 -6.202 -4.827 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.281 -8.949 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.831 -7.758 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.465 -8.043 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.554 -10.319 -5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.404 -9.822 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.427 -10.420 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.624 -11.679 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.386 -9.805 -8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.328 -11.376 -8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.720 -11.296 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.600 -9.708 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.001 -10.356 -11.444 1.00 0.00 H new ATOM 313 N ALA A 24 -5.005 -9.602 -4.851 1.00 0.00 N ATOM 314 CA ALA A 24 -3.642 -9.991 -5.191 1.00 0.00 C ATOM 315 C ALA A 24 -3.570 -11.468 -5.565 1.00 0.00 C ATOM 316 O ALA A 24 -4.509 -12.226 -5.323 1.00 0.00 O ATOM 317 CB ALA A 24 -2.703 -9.693 -4.031 1.00 0.00 C ATOM 0 H ALA A 24 -5.465 -10.219 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.329 -9.407 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.689 -9.989 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.724 -8.626 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.023 -10.251 -3.151 1.00 0.00 H new ATOM 323 N ARG A 25 -2.450 -11.869 -6.158 1.00 0.00 N ATOM 324 CA ARG A 25 -2.257 -13.255 -6.568 1.00 0.00 C ATOM 325 C ARG A 25 -1.034 -13.859 -5.884 1.00 0.00 C ATOM 326 O ARG A 25 0.039 -13.258 -5.870 1.00 0.00 O ATOM 327 CB ARG A 25 -2.101 -13.342 -8.088 1.00 0.00 C ATOM 328 CG ARG A 25 -1.915 -14.761 -8.600 1.00 0.00 C ATOM 329 CD ARG A 25 -2.276 -14.873 -10.073 1.00 0.00 C ATOM 330 NE ARG A 25 -1.167 -14.481 -10.939 1.00 0.00 N ATOM 331 CZ ARG A 25 -1.113 -14.762 -12.236 1.00 0.00 C ATOM 332 NH1 ARG A 25 -2.100 -15.433 -12.814 1.00 0.00 N ATOM 333 NH2 ARG A 25 -0.071 -14.371 -12.958 1.00 0.00 N ATOM 0 H ARG A 25 -1.663 -11.254 -6.365 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.137 -13.823 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.981 -12.906 -8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.245 -12.740 -8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.880 -15.069 -8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.536 -15.443 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.567 -15.899 -10.298 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.141 -14.243 -10.283 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.392 -13.963 -10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.903 -15.735 -12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.056 -15.647 -13.810 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.690 -13.854 -12.517 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.031 -14.587 -13.954 1.00 0.00 H new ATOM 347 N GLU A 26 -1.206 -15.049 -5.319 1.00 0.00 N ATOM 348 CA GLU A 26 -0.117 -15.733 -4.632 1.00 0.00 C ATOM 349 C GLU A 26 1.173 -15.653 -5.444 1.00 0.00 C ATOM 350 O GLU A 26 1.208 -16.034 -6.615 1.00 0.00 O ATOM 351 CB GLU A 26 -0.483 -17.197 -4.378 1.00 0.00 C ATOM 352 CG GLU A 26 0.700 -18.058 -3.969 1.00 0.00 C ATOM 353 CD GLU A 26 0.283 -19.439 -3.503 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.733 -19.955 -4.015 1.00 0.00 O ATOM 355 OE2 GLU A 26 0.971 -20.004 -2.628 1.00 0.00 O ATOM 0 H GLU A 26 -2.089 -15.560 -5.323 1.00 0.00 H new ATOM 0 HA GLU A 26 0.044 -15.236 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.242 -17.243 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.929 -17.613 -5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.383 -18.154 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.248 -17.559 -3.170 1.00 0.00 H new ATOM 362 N LYS A 27 2.231 -15.155 -4.815 1.00 0.00 N ATOM 363 CA LYS A 27 3.524 -15.025 -5.476 1.00 0.00 C ATOM 364 C LYS A 27 3.433 -14.075 -6.667 1.00 0.00 C ATOM 365 O LYS A 27 3.980 -14.351 -7.734 1.00 0.00 O ATOM 366 CB LYS A 27 4.023 -16.395 -5.941 1.00 0.00 C ATOM 367 CG LYS A 27 4.760 -17.171 -4.863 1.00 0.00 C ATOM 368 CD LYS A 27 5.466 -18.389 -5.437 1.00 0.00 C ATOM 369 CE LYS A 27 6.692 -18.759 -4.617 1.00 0.00 C ATOM 370 NZ LYS A 27 7.396 -19.946 -5.177 1.00 0.00 N ATOM 0 H LYS A 27 2.219 -14.834 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 27 4.231 -14.612 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.173 -16.985 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.685 -16.260 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.489 -16.521 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.055 -17.487 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.776 -19.232 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.762 -18.188 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.377 -17.912 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.393 -18.965 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.226 -20.166 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.750 -20.761 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.704 -19.740 -6.149 1.00 0.00 H new ATOM 384 N GLN A 28 2.742 -12.957 -6.474 1.00 0.00 N ATOM 385 CA GLN A 28 2.581 -11.967 -7.532 1.00 0.00 C ATOM 386 C GLN A 28 3.088 -10.601 -7.081 1.00 0.00 C ATOM 387 O GLN A 28 3.071 -10.282 -5.892 1.00 0.00 O ATOM 388 CB GLN A 28 1.112 -11.867 -7.948 1.00 0.00 C ATOM 389 CG GLN A 28 0.879 -10.958 -9.144 1.00 0.00 C ATOM 390 CD GLN A 28 1.372 -11.563 -10.443 1.00 0.00 C ATOM 391 OE1 GLN A 28 0.946 -12.649 -10.837 1.00 0.00 O ATOM 392 NE2 GLN A 28 2.277 -10.862 -11.117 1.00 0.00 N ATOM 0 H GLN A 28 2.285 -12.714 -5.595 1.00 0.00 H new ATOM 0 HA GLN A 28 3.172 -12.289 -8.389 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.741 -12.865 -8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.528 -11.500 -7.104 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.186 -10.743 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.384 -10.007 -8.976 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.602 -9.966 -10.754 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.647 -11.220 -11.998 1.00 0.00 H new ATOM 401 N THR A 29 3.538 -9.796 -8.039 1.00 0.00 N ATOM 402 CA THR A 29 4.052 -8.465 -7.741 1.00 0.00 C ATOM 403 C THR A 29 2.982 -7.402 -7.960 1.00 0.00 C ATOM 404 O THR A 29 2.680 -7.036 -9.096 1.00 0.00 O ATOM 405 CB THR A 29 5.279 -8.129 -8.608 1.00 0.00 C ATOM 406 OG1 THR A 29 6.311 -9.098 -8.393 1.00 0.00 O ATOM 407 CG2 THR A 29 5.806 -6.739 -8.284 1.00 0.00 C ATOM 0 H THR A 29 3.557 -10.043 -9.028 1.00 0.00 H new ATOM 0 HA THR A 29 4.349 -8.468 -6.692 1.00 0.00 H new ATOM 0 HB THR A 29 4.974 -8.150 -9.654 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.087 -8.878 -8.949 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.673 -6.524 -8.909 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.028 -6.001 -8.477 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.096 -6.695 -7.234 1.00 0.00 H new ATOM 415 N ALA A 30 2.412 -6.908 -6.866 1.00 0.00 N ATOM 416 CA ALA A 30 1.377 -5.884 -6.939 1.00 0.00 C ATOM 417 C ALA A 30 1.954 -4.500 -6.663 1.00 0.00 C ATOM 418 O ALA A 30 2.492 -4.244 -5.586 1.00 0.00 O ATOM 419 CB ALA A 30 0.256 -6.195 -5.959 1.00 0.00 C ATOM 0 H ALA A 30 2.650 -7.200 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 30 0.971 -5.885 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.510 -5.422 -6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.183 -7.162 -6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.656 -6.224 -4.946 1.00 0.00 H new ATOM 425 N SER A 31 1.840 -3.610 -7.644 1.00 0.00 N ATOM 426 CA SER A 31 2.354 -2.252 -7.508 1.00 0.00 C ATOM 427 C SER A 31 1.246 -1.226 -7.724 1.00 0.00 C ATOM 428 O SER A 31 0.315 -1.455 -8.497 1.00 0.00 O ATOM 429 CB SER A 31 3.489 -2.012 -8.506 1.00 0.00 C ATOM 430 OG SER A 31 3.043 -2.196 -9.838 1.00 0.00 O ATOM 0 H SER A 31 1.396 -3.805 -8.541 1.00 0.00 H new ATOM 0 HA SER A 31 2.739 -2.136 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.876 -1.000 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.312 -2.695 -8.297 1.00 0.00 H new ATOM 0 HG SER A 31 3.786 -2.035 -10.457 1.00 0.00 H new ATOM 436 N PHE A 32 1.352 -0.095 -7.034 1.00 0.00 N ATOM 437 CA PHE A 32 0.359 0.966 -7.149 1.00 0.00 C ATOM 438 C PHE A 32 1.002 2.336 -6.953 1.00 0.00 C ATOM 439 O PHE A 32 2.143 2.441 -6.503 1.00 0.00 O ATOM 440 CB PHE A 32 -0.757 0.763 -6.122 1.00 0.00 C ATOM 441 CG PHE A 32 -0.251 0.477 -4.736 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.248 -0.774 -4.411 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.276 1.459 -3.759 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.714 -1.041 -3.138 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.189 1.198 -2.484 1.00 0.00 C ATOM 446 CZ PHE A 32 0.683 -0.053 -2.173 1.00 0.00 C ATOM 0 H PHE A 32 2.116 0.110 -6.390 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.067 0.923 -8.151 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.382 1.656 -6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.392 -0.061 -6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.273 -1.550 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.663 2.439 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.102 -2.020 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.166 1.972 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.045 -0.259 -1.176 1.00 0.00 H new ATOM 456 N THR A 33 0.261 3.385 -7.296 1.00 0.00 N ATOM 457 CA THR A 33 0.758 4.749 -7.161 1.00 0.00 C ATOM 458 C THR A 33 0.069 5.473 -6.010 1.00 0.00 C ATOM 459 O THR A 33 -1.148 5.383 -5.846 1.00 0.00 O ATOM 460 CB THR A 33 0.550 5.554 -8.458 1.00 0.00 C ATOM 461 OG1 THR A 33 1.259 4.937 -9.537 1.00 0.00 O ATOM 462 CG2 THR A 33 1.025 6.989 -8.286 1.00 0.00 C ATOM 0 H THR A 33 -0.686 3.316 -7.669 1.00 0.00 H new ATOM 0 HA THR A 33 1.826 4.678 -6.955 1.00 0.00 H new ATOM 0 HB THR A 33 -0.516 5.566 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.120 5.454 -10.358 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.868 7.538 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.462 7.465 -7.483 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.086 6.994 -8.037 1.00 0.00 H new ATOM 470 N LEU A 34 0.854 6.192 -5.216 1.00 0.00 N ATOM 471 CA LEU A 34 0.319 6.934 -4.079 1.00 0.00 C ATOM 472 C LEU A 34 0.413 8.438 -4.318 1.00 0.00 C ATOM 473 O LEU A 34 1.503 9.011 -4.313 1.00 0.00 O ATOM 474 CB LEU A 34 1.073 6.561 -2.801 1.00 0.00 C ATOM 475 CG LEU A 34 0.848 7.477 -1.598 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.546 7.272 -1.024 1.00 0.00 C ATOM 477 CD2 LEU A 34 1.906 7.228 -0.533 1.00 0.00 C ATOM 0 H LEU A 34 1.863 6.277 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.732 6.668 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.789 5.547 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.140 6.543 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 34 0.933 8.511 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.688 7.932 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.291 7.501 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.659 6.236 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.730 7.889 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.853 6.191 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.894 7.426 -0.948 1.00 0.00 H new ATOM 489 N LEU A 35 -0.736 9.072 -4.523 1.00 0.00 N ATOM 490 CA LEU A 35 -0.785 10.510 -4.761 1.00 0.00 C ATOM 491 C LEU A 35 -0.661 11.283 -3.452 1.00 0.00 C ATOM 492 O LEU A 35 -1.208 10.876 -2.425 1.00 0.00 O ATOM 493 CB LEU A 35 -2.088 10.886 -5.467 1.00 0.00 C ATOM 494 CG LEU A 35 -2.310 10.260 -6.845 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.793 10.220 -7.180 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.541 11.029 -7.910 1.00 0.00 C ATOM 0 H LEU A 35 -1.647 8.613 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 35 0.057 10.776 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.921 10.604 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.120 11.970 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.936 9.237 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.932 9.772 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.319 9.626 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.193 11.234 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.710 10.570 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.885 12.063 -7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.476 11.006 -7.678 1.00 0.00 H new ATOM 508 N CYS A 36 0.057 12.399 -3.495 1.00 0.00 N ATOM 509 CA CYS A 36 0.251 13.230 -2.313 1.00 0.00 C ATOM 510 C CYS A 36 -0.573 14.510 -2.406 1.00 0.00 C ATOM 511 O CYS A 36 -0.490 15.245 -3.390 1.00 0.00 O ATOM 512 CB CYS A 36 1.732 13.575 -2.143 1.00 0.00 C ATOM 513 SG CYS A 36 2.768 12.168 -1.676 1.00 0.00 S ATOM 0 H CYS A 36 0.515 12.750 -4.336 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.086 12.665 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.106 13.994 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.829 14.351 -1.384 1.00 0.00 H new ATOM 0 HG CYS A 36 4.002 12.558 -1.558 1.00 0.00 H new ATOM 519 N LYS A 37 -1.371 14.770 -1.376 1.00 0.00 N ATOM 520 CA LYS A 37 -2.213 15.960 -1.341 1.00 0.00 C ATOM 521 C LYS A 37 -1.948 16.777 -0.080 1.00 0.00 C ATOM 522 O LYS A 37 -1.293 16.305 0.850 1.00 0.00 O ATOM 523 CB LYS A 37 -3.691 15.567 -1.405 1.00 0.00 C ATOM 524 CG LYS A 37 -4.181 15.276 -2.813 1.00 0.00 C ATOM 525 CD LYS A 37 -4.009 13.809 -3.170 1.00 0.00 C ATOM 526 CE LYS A 37 -4.152 13.580 -4.667 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.541 13.836 -5.138 1.00 0.00 N ATOM 0 H LYS A 37 -1.452 14.172 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.968 16.573 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.852 14.686 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.291 16.371 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.232 15.551 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.632 15.892 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.028 13.466 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.751 13.214 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.461 14.232 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.871 12.554 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.596 13.669 -6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.198 13.196 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.801 14.822 -4.934 1.00 0.00 H new ATOM 541 N ASP A 38 -2.460 18.002 -0.055 1.00 0.00 N ATOM 542 CA ASP A 38 -2.281 18.883 1.093 1.00 0.00 C ATOM 543 C ASP A 38 -3.464 18.776 2.050 1.00 0.00 C ATOM 544 O ASP A 38 -4.380 17.983 1.834 1.00 0.00 O ATOM 545 CB ASP A 38 -2.112 20.331 0.630 1.00 0.00 C ATOM 546 CG ASP A 38 -3.440 21.043 0.462 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.468 20.353 0.302 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.450 22.292 0.493 1.00 0.00 O ATOM 0 H ASP A 38 -3.003 18.408 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.380 18.572 1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.502 20.872 1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.572 20.346 -0.317 1.00 0.00 H new ATOM 553 N ALA A 39 -3.437 19.580 3.108 1.00 0.00 N ATOM 554 CA ALA A 39 -4.508 19.576 4.097 1.00 0.00 C ATOM 555 C ALA A 39 -5.857 19.861 3.447 1.00 0.00 C ATOM 556 O ALA A 39 -6.887 19.347 3.882 1.00 0.00 O ATOM 557 CB ALA A 39 -4.221 20.597 5.189 1.00 0.00 C ATOM 0 H ALA A 39 -2.686 20.242 3.302 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.552 18.583 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.029 20.584 5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.281 20.349 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.148 21.591 4.748 1.00 0.00 H new ATOM 563 N ALA A 40 -5.844 20.682 2.402 1.00 0.00 N ATOM 564 CA ALA A 40 -7.067 21.033 1.691 1.00 0.00 C ATOM 565 C ALA A 40 -7.454 19.946 0.694 1.00 0.00 C ATOM 566 O ALA A 40 -8.408 20.100 -0.067 1.00 0.00 O ATOM 567 CB ALA A 40 -6.900 22.369 0.981 1.00 0.00 C ATOM 0 H ALA A 40 -5.000 21.116 2.029 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.871 21.121 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.821 22.619 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.679 23.145 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.080 22.301 0.266 1.00 0.00 H new ATOM 573 N GLY A 41 -6.706 18.847 0.704 1.00 0.00 N ATOM 574 CA GLY A 41 -6.986 17.751 -0.205 1.00 0.00 C ATOM 575 C GLY A 41 -6.790 18.137 -1.657 1.00 0.00 C ATOM 576 O GLY A 41 -7.472 17.620 -2.541 1.00 0.00 O ATOM 0 H GLY A 41 -5.911 18.696 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.336 16.909 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.012 17.414 -0.057 1.00 0.00 H new ATOM 580 N GLU A 42 -5.856 19.051 -1.904 1.00 0.00 N ATOM 581 CA GLU A 42 -5.574 19.507 -3.260 1.00 0.00 C ATOM 582 C GLU A 42 -4.182 19.068 -3.704 1.00 0.00 C ATOM 583 O GLU A 42 -3.298 18.844 -2.878 1.00 0.00 O ATOM 584 CB GLU A 42 -5.691 21.031 -3.343 1.00 0.00 C ATOM 585 CG GLU A 42 -4.549 21.767 -2.663 1.00 0.00 C ATOM 586 CD GLU A 42 -4.908 23.195 -2.302 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.115 23.490 -2.174 1.00 0.00 O ATOM 588 OE2 GLU A 42 -3.982 24.018 -2.148 1.00 0.00 O ATOM 0 H GLU A 42 -5.283 19.490 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.308 19.056 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.730 21.327 -4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.633 21.340 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.262 21.229 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.680 21.770 -3.322 1.00 0.00 H new ATOM 595 N ILE A 43 -3.997 18.947 -5.014 1.00 0.00 N ATOM 596 CA ILE A 43 -2.713 18.535 -5.569 1.00 0.00 C ATOM 597 C ILE A 43 -1.602 19.494 -5.155 1.00 0.00 C ATOM 598 O ILE A 43 -1.757 20.712 -5.241 1.00 0.00 O ATOM 599 CB ILE A 43 -2.763 18.456 -7.106 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.933 17.580 -7.556 1.00 0.00 C ATOM 601 CG2 ILE A 43 -1.449 17.917 -7.652 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.772 16.121 -7.190 1.00 0.00 C ATOM 0 H ILE A 43 -4.719 19.128 -5.711 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.500 17.543 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.913 19.460 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.852 17.959 -7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.045 17.665 -8.637 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.500 17.867 -8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.634 18.578 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.270 16.919 -7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.639 15.560 -7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.871 15.726 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.691 16.024 -6.107 1.00 0.00 H new ATOM 614 N MET A 44 -0.482 18.936 -4.709 1.00 0.00 N ATOM 615 CA MET A 44 0.657 19.743 -4.285 1.00 0.00 C ATOM 616 C MET A 44 1.806 19.627 -5.281 1.00 0.00 C ATOM 617 O MET A 44 2.512 20.599 -5.545 1.00 0.00 O ATOM 618 CB MET A 44 1.126 19.310 -2.894 1.00 0.00 C ATOM 619 CG MET A 44 1.374 17.815 -2.774 1.00 0.00 C ATOM 620 SD MET A 44 2.423 17.396 -1.369 1.00 0.00 S ATOM 621 CE MET A 44 1.390 17.928 -0.005 1.00 0.00 C ATOM 0 H MET A 44 -0.338 17.929 -4.632 1.00 0.00 H new ATOM 0 HA MET A 44 0.338 20.785 -4.245 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.044 19.843 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.378 19.606 -2.159 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.419 17.299 -2.676 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.839 17.453 -3.691 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.019 18.225 0.834 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.781 18.775 -0.319 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.741 17.108 0.301 1.00 0.00 H new ATOM 631 N GLY A 45 1.988 18.430 -5.831 1.00 0.00 N ATOM 632 CA GLY A 45 3.054 18.210 -6.791 1.00 0.00 C ATOM 633 C GLY A 45 4.425 18.494 -6.212 1.00 0.00 C ATOM 634 O GLY A 45 5.154 19.350 -6.714 1.00 0.00 O ATOM 0 H GLY A 45 1.417 17.609 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.017 17.178 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.892 18.846 -7.661 1.00 0.00 H new ATOM 638 N ARG A 46 4.777 17.776 -5.150 1.00 0.00 N ATOM 639 CA ARG A 46 6.069 17.958 -4.499 1.00 0.00 C ATOM 640 C ARG A 46 6.388 16.779 -3.585 1.00 0.00 C ATOM 641 O ARG A 46 5.504 16.238 -2.922 1.00 0.00 O ATOM 642 CB ARG A 46 6.080 19.259 -3.695 1.00 0.00 C ATOM 643 CG ARG A 46 5.156 19.238 -2.489 1.00 0.00 C ATOM 644 CD ARG A 46 5.873 18.734 -1.246 1.00 0.00 C ATOM 645 NE ARG A 46 6.970 19.615 -0.852 1.00 0.00 N ATOM 646 CZ ARG A 46 7.477 19.653 0.375 1.00 0.00 C ATOM 647 NH1 ARG A 46 6.991 18.863 1.322 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.475 20.481 0.656 1.00 0.00 N ATOM 0 H ARG A 46 4.186 17.063 -4.722 1.00 0.00 H new ATOM 0 HA ARG A 46 6.834 18.012 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.097 19.460 -3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.792 20.082 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.771 20.241 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.297 18.600 -2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.161 18.652 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.261 17.733 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 46 7.368 20.235 -1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.225 18.223 1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.383 18.895 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.853 21.089 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.864 20.510 1.599 1.00 0.00 H new ATOM 662 N GLY A 47 7.658 16.386 -3.554 1.00 0.00 N ATOM 663 CA GLY A 47 8.071 15.274 -2.719 1.00 0.00 C ATOM 664 C GLY A 47 8.574 15.724 -1.361 1.00 0.00 C ATOM 665 O GLY A 47 8.353 16.865 -0.956 1.00 0.00 O ATOM 0 H GLY A 47 8.408 16.819 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.231 14.593 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.857 14.714 -3.227 1.00 0.00 H new ATOM 669 N GLY A 48 9.252 14.825 -0.655 1.00 0.00 N ATOM 670 CA GLY A 48 9.776 15.154 0.658 1.00 0.00 C ATOM 671 C GLY A 48 8.867 14.687 1.778 1.00 0.00 C ATOM 672 O GLY A 48 8.573 15.443 2.704 1.00 0.00 O ATOM 0 H GLY A 48 9.448 13.874 -0.969 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.759 14.699 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.913 16.233 0.731 1.00 0.00 H new ATOM 676 N ASP A 49 8.421 13.439 1.694 1.00 0.00 N ATOM 677 CA ASP A 49 7.539 12.872 2.708 1.00 0.00 C ATOM 678 C ASP A 49 7.998 11.472 3.105 1.00 0.00 C ATOM 679 O ASP A 49 8.573 10.744 2.298 1.00 0.00 O ATOM 680 CB ASP A 49 6.100 12.824 2.194 1.00 0.00 C ATOM 681 CG ASP A 49 5.672 14.126 1.546 1.00 0.00 C ATOM 682 OD1 ASP A 49 6.184 15.188 1.956 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.825 14.083 0.629 1.00 0.00 O ATOM 0 H ASP A 49 8.655 12.800 0.934 1.00 0.00 H new ATOM 0 HA ASP A 49 7.580 13.512 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.002 12.013 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.429 12.596 3.022 1.00 0.00 H new ATOM 688 N ASN A 50 7.740 11.103 4.356 1.00 0.00 N ATOM 689 CA ASN A 50 8.127 9.791 4.861 1.00 0.00 C ATOM 690 C ASN A 50 6.975 8.799 4.738 1.00 0.00 C ATOM 691 O ASN A 50 6.062 8.785 5.563 1.00 0.00 O ATOM 692 CB ASN A 50 8.572 9.895 6.322 1.00 0.00 C ATOM 693 CG ASN A 50 10.049 10.211 6.455 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.886 9.310 6.505 1.00 0.00 O ATOM 695 ND2 ASN A 50 10.376 11.497 6.515 1.00 0.00 N ATOM 0 H ASN A 50 7.265 11.694 5.038 1.00 0.00 H new ATOM 0 HA ASN A 50 8.960 9.429 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.991 10.670 6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.357 8.956 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.354 11.771 6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.649 12.211 6.470 1.00 0.00 H new ATOM 702 N VAL A 51 7.026 7.968 3.701 1.00 0.00 N ATOM 703 CA VAL A 51 5.988 6.970 3.470 1.00 0.00 C ATOM 704 C VAL A 51 6.337 5.648 4.144 1.00 0.00 C ATOM 705 O VAL A 51 7.487 5.211 4.115 1.00 0.00 O ATOM 706 CB VAL A 51 5.770 6.726 1.965 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.736 5.632 1.746 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.351 8.013 1.272 1.00 0.00 C ATOM 0 H VAL A 51 7.775 7.966 3.008 1.00 0.00 H new ATOM 0 HA VAL A 51 5.068 7.363 3.903 1.00 0.00 H new ATOM 0 HB VAL A 51 6.712 6.395 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.595 5.473 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.082 4.707 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.789 5.931 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.201 7.822 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.421 8.376 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.130 8.765 1.399 1.00 0.00 H new ATOM 718 N GLN A 52 5.337 5.016 4.748 1.00 0.00 N ATOM 719 CA GLN A 52 5.539 3.743 5.429 1.00 0.00 C ATOM 720 C GLN A 52 4.613 2.670 4.865 1.00 0.00 C ATOM 721 O GLN A 52 3.406 2.879 4.742 1.00 0.00 O ATOM 722 CB GLN A 52 5.299 3.900 6.932 1.00 0.00 C ATOM 723 CG GLN A 52 6.260 4.869 7.603 1.00 0.00 C ATOM 724 CD GLN A 52 6.336 4.671 9.104 1.00 0.00 C ATOM 725 OE1 GLN A 52 5.338 4.348 9.750 1.00 0.00 O ATOM 726 NE2 GLN A 52 7.522 4.863 9.667 1.00 0.00 N ATOM 0 H GLN A 52 4.379 5.364 4.780 1.00 0.00 H new ATOM 0 HA GLN A 52 6.570 3.432 5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.277 4.243 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.387 2.924 7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.254 4.745 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.946 5.891 7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.322 5.130 9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.634 4.744 10.674 1.00 0.00 H new ATOM 735 N VAL A 53 5.186 1.521 4.522 1.00 0.00 N ATOM 736 CA VAL A 53 4.412 0.415 3.971 1.00 0.00 C ATOM 737 C VAL A 53 4.766 -0.899 4.658 1.00 0.00 C ATOM 738 O VAL A 53 5.925 -1.314 4.667 1.00 0.00 O ATOM 739 CB VAL A 53 4.644 0.268 2.455 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.928 -0.964 1.922 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.184 1.520 1.723 1.00 0.00 C ATOM 0 H VAL A 53 6.184 1.332 4.616 1.00 0.00 H new ATOM 0 HA VAL A 53 3.361 0.644 4.150 1.00 0.00 H new ATOM 0 HB VAL A 53 5.712 0.143 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.103 -1.051 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.309 -1.853 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.858 -0.872 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.355 1.400 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.121 1.678 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.746 2.381 2.086 1.00 0.00 H new ATOM 751 N ALA A 54 3.760 -1.551 5.231 1.00 0.00 N ATOM 752 CA ALA A 54 3.964 -2.820 5.918 1.00 0.00 C ATOM 753 C ALA A 54 2.786 -3.762 5.693 1.00 0.00 C ATOM 754 O ALA A 54 1.653 -3.456 6.066 1.00 0.00 O ATOM 755 CB ALA A 54 4.178 -2.586 7.406 1.00 0.00 C ATOM 0 H ALA A 54 2.795 -1.221 5.233 1.00 0.00 H new ATOM 0 HA ALA A 54 4.856 -3.290 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.329 -3.542 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.056 -1.957 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.303 -2.091 7.826 1.00 0.00 H new ATOM 761 N VAL A 55 3.060 -4.909 5.080 1.00 0.00 N ATOM 762 CA VAL A 55 2.022 -5.896 4.806 1.00 0.00 C ATOM 763 C VAL A 55 2.076 -7.043 5.809 1.00 0.00 C ATOM 764 O VAL A 55 3.139 -7.607 6.067 1.00 0.00 O ATOM 765 CB VAL A 55 2.154 -6.468 3.381 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.134 -7.572 3.153 1.00 0.00 C ATOM 767 CG2 VAL A 55 1.996 -5.363 2.348 1.00 0.00 C ATOM 0 H VAL A 55 3.992 -5.178 4.764 1.00 0.00 H new ATOM 0 HA VAL A 55 1.065 -5.383 4.897 1.00 0.00 H new ATOM 0 HB VAL A 55 3.150 -6.898 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.242 -7.964 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.299 -8.374 3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.129 -7.171 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.092 -5.784 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.014 -4.902 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.769 -4.609 2.500 1.00 0.00 H new ATOM 777 N VAL A 56 0.921 -7.384 6.372 1.00 0.00 N ATOM 778 CA VAL A 56 0.836 -8.465 7.346 1.00 0.00 C ATOM 779 C VAL A 56 -0.445 -9.272 7.161 1.00 0.00 C ATOM 780 O VAL A 56 -1.545 -8.726 7.077 1.00 0.00 O ATOM 781 CB VAL A 56 0.886 -7.927 8.788 1.00 0.00 C ATOM 782 CG1 VAL A 56 0.880 -9.074 9.787 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.109 -7.044 8.984 1.00 0.00 C ATOM 0 H VAL A 56 0.032 -6.927 6.170 1.00 0.00 H new ATOM 0 HA VAL A 56 1.697 -9.111 7.177 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.003 -7.321 8.963 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.916 -8.674 10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.029 -9.662 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.749 -9.709 9.617 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.129 -6.672 10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.011 -7.624 8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.064 -6.202 8.293 1.00 0.00 H new ATOM 793 N PRO A 57 -0.301 -10.604 7.096 1.00 0.00 N ATOM 794 CA PRO A 57 -1.436 -11.515 6.921 1.00 0.00 C ATOM 795 C PRO A 57 -2.328 -11.573 8.156 1.00 0.00 C ATOM 796 O PRO A 57 -1.844 -11.716 9.279 1.00 0.00 O ATOM 797 CB PRO A 57 -0.768 -12.871 6.679 1.00 0.00 C ATOM 798 CG PRO A 57 0.563 -12.760 7.337 1.00 0.00 C ATOM 799 CD PRO A 57 0.980 -11.323 7.189 1.00 0.00 C ATOM 0 HA PRO A 57 -2.093 -11.198 6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.355 -13.684 7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.667 -13.078 5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.503 -13.043 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.287 -13.427 6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.569 -10.986 8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.591 -11.172 6.299 1.00 0.00 H new ATOM 807 N LYS A 58 -3.635 -11.462 7.942 1.00 0.00 N ATOM 808 CA LYS A 58 -4.596 -11.504 9.038 1.00 0.00 C ATOM 809 C LYS A 58 -4.500 -12.824 9.796 1.00 0.00 C ATOM 810 O LYS A 58 -4.895 -12.912 10.959 1.00 0.00 O ATOM 811 CB LYS A 58 -6.018 -11.313 8.504 1.00 0.00 C ATOM 812 CG LYS A 58 -7.004 -10.835 9.555 1.00 0.00 C ATOM 813 CD LYS A 58 -8.331 -10.434 8.934 1.00 0.00 C ATOM 814 CE LYS A 58 -9.291 -9.884 9.977 1.00 0.00 C ATOM 815 NZ LYS A 58 -9.815 -10.955 10.869 1.00 0.00 N ATOM 0 H LYS A 58 -4.053 -11.342 7.019 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.360 -10.692 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.996 -10.594 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.371 -12.257 8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.168 -11.626 10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.581 -9.986 10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.161 -9.683 8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.780 -11.298 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.782 -9.129 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.123 -9.387 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.466 -10.539 11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.323 -11.663 10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.023 -11.412 11.365 1.00 0.00 H new ATOM 829 N ASP A 59 -3.972 -13.845 9.132 1.00 0.00 N ATOM 830 CA ASP A 59 -3.821 -15.160 9.744 1.00 0.00 C ATOM 831 C ASP A 59 -2.600 -15.197 10.659 1.00 0.00 C ATOM 832 O ASP A 59 -2.728 -15.276 11.880 1.00 0.00 O ATOM 833 CB ASP A 59 -3.699 -16.238 8.666 1.00 0.00 C ATOM 834 CG ASP A 59 -4.954 -16.361 7.826 1.00 0.00 C ATOM 835 OD1 ASP A 59 -5.181 -15.485 6.966 1.00 0.00 O ATOM 836 OD2 ASP A 59 -5.711 -17.334 8.029 1.00 0.00 O ATOM 0 H ASP A 59 -3.641 -13.788 8.169 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.709 -15.357 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.853 -16.006 8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.486 -17.197 9.138 1.00 0.00 H new ATOM 841 N LYS A 60 -1.416 -15.139 10.058 1.00 0.00 N ATOM 842 CA LYS A 60 -0.171 -15.165 10.817 1.00 0.00 C ATOM 843 C LYS A 60 0.182 -13.774 11.331 1.00 0.00 C ATOM 844 O LYS A 60 -0.154 -12.766 10.708 1.00 0.00 O ATOM 845 CB LYS A 60 0.968 -15.704 9.949 1.00 0.00 C ATOM 846 CG LYS A 60 0.780 -17.152 9.528 1.00 0.00 C ATOM 847 CD LYS A 60 1.338 -18.111 10.566 1.00 0.00 C ATOM 848 CE LYS A 60 0.848 -19.532 10.333 1.00 0.00 C ATOM 849 NZ LYS A 60 0.939 -20.360 11.567 1.00 0.00 N ATOM 0 H LYS A 60 -1.293 -15.074 9.048 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.311 -15.825 11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.058 -15.084 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.906 -15.613 10.497 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.281 -17.354 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.275 -17.321 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.427 -18.091 10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.043 -17.782 11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.186 -19.508 9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.438 -19.994 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.596 -21.321 11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.929 -20.405 11.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.356 -19.933 12.315 1.00 0.00 H new ATOM 863 N LYS A 61 0.863 -13.724 12.471 1.00 0.00 N ATOM 864 CA LYS A 61 1.265 -12.456 13.069 1.00 0.00 C ATOM 865 C LYS A 61 2.767 -12.236 12.918 1.00 0.00 C ATOM 866 O LYS A 61 3.242 -11.100 12.936 1.00 0.00 O ATOM 867 CB LYS A 61 0.880 -12.422 14.549 1.00 0.00 C ATOM 868 CG LYS A 61 1.776 -11.530 15.390 1.00 0.00 C ATOM 869 CD LYS A 61 1.040 -10.982 16.602 1.00 0.00 C ATOM 870 CE LYS A 61 1.665 -9.686 17.095 1.00 0.00 C ATOM 871 NZ LYS A 61 1.190 -8.510 16.315 1.00 0.00 N ATOM 0 H LYS A 61 1.148 -14.548 13.000 1.00 0.00 H new ATOM 0 HA LYS A 61 0.744 -11.654 12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.150 -12.077 14.640 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.913 -13.436 14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.648 -12.095 15.718 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.142 -10.703 14.781 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.005 -10.809 16.346 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.054 -11.722 17.403 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.424 -9.544 18.149 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.750 -9.756 17.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.639 -7.646 16.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.442 -8.633 15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.157 -8.428 16.405 1.00 0.00 H new ATOM 885 N ASP A 62 3.508 -13.328 12.769 1.00 0.00 N ATOM 886 CA ASP A 62 4.956 -13.253 12.612 1.00 0.00 C ATOM 887 C ASP A 62 5.344 -13.255 11.137 1.00 0.00 C ATOM 888 O ASP A 62 5.964 -12.311 10.647 1.00 0.00 O ATOM 889 CB ASP A 62 5.629 -14.424 13.331 1.00 0.00 C ATOM 890 CG ASP A 62 7.076 -14.135 13.680 1.00 0.00 C ATOM 891 OD1 ASP A 62 7.317 -13.227 14.502 1.00 0.00 O ATOM 892 OD2 ASP A 62 7.967 -14.816 13.130 1.00 0.00 O ATOM 0 H ASP A 62 3.130 -14.275 12.754 1.00 0.00 H new ATOM 0 HA ASP A 62 5.297 -12.318 13.057 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.077 -14.652 14.243 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.581 -15.311 12.699 1.00 0.00 H new ATOM 897 N SER A 63 4.977 -14.322 10.435 1.00 0.00 N ATOM 898 CA SER A 63 5.291 -14.449 9.017 1.00 0.00 C ATOM 899 C SER A 63 5.185 -13.099 8.314 1.00 0.00 C ATOM 900 O SER A 63 4.101 -12.640 7.956 1.00 0.00 O ATOM 901 CB SER A 63 4.351 -15.457 8.353 1.00 0.00 C ATOM 902 OG SER A 63 4.890 -15.929 7.130 1.00 0.00 O ATOM 0 H SER A 63 4.462 -15.111 10.825 1.00 0.00 H new ATOM 0 HA SER A 63 6.317 -14.806 8.928 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.179 -16.297 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.383 -14.991 8.171 1.00 0.00 H new ATOM 0 HG SER A 63 4.271 -16.573 6.727 1.00 0.00 H new ATOM 908 N PRO A 64 6.340 -12.447 8.111 1.00 0.00 N ATOM 909 CA PRO A 64 6.405 -11.140 7.449 1.00 0.00 C ATOM 910 C PRO A 64 6.079 -11.227 5.962 1.00 0.00 C ATOM 911 O PRO A 64 5.911 -12.317 5.415 1.00 0.00 O ATOM 912 CB PRO A 64 7.860 -10.712 7.653 1.00 0.00 C ATOM 913 CG PRO A 64 8.611 -11.988 7.820 1.00 0.00 C ATOM 914 CD PRO A 64 7.670 -12.935 8.511 1.00 0.00 C ATOM 0 HA PRO A 64 5.678 -10.439 7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.229 -10.144 6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.965 -10.073 8.530 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.925 -12.385 6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.514 -11.835 8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.832 -13.965 8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.798 -12.911 9.593 1.00 0.00 H new ATOM 922 N VAL A 65 5.991 -10.071 5.312 1.00 0.00 N ATOM 923 CA VAL A 65 5.686 -10.016 3.887 1.00 0.00 C ATOM 924 C VAL A 65 6.686 -9.136 3.145 1.00 0.00 C ATOM 925 O VAL A 65 6.833 -7.953 3.450 1.00 0.00 O ATOM 926 CB VAL A 65 4.263 -9.480 3.638 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.000 -9.339 2.147 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.231 -10.390 4.286 1.00 0.00 C ATOM 0 H VAL A 65 6.127 -9.160 5.750 1.00 0.00 H new ATOM 0 HA VAL A 65 5.753 -11.036 3.509 1.00 0.00 H new ATOM 0 HB VAL A 65 4.180 -8.493 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.990 -8.959 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.720 -8.644 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.101 -10.312 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.231 -9.997 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.312 -11.391 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.409 -10.435 5.360 1.00 0.00 H new ATOM 938 N ARG A 66 7.370 -9.723 2.169 1.00 0.00 N ATOM 939 CA ARG A 66 8.357 -8.993 1.382 1.00 0.00 C ATOM 940 C ARG A 66 7.732 -7.763 0.730 1.00 0.00 C ATOM 941 O ARG A 66 6.744 -7.868 0.002 1.00 0.00 O ATOM 942 CB ARG A 66 8.960 -9.901 0.310 1.00 0.00 C ATOM 943 CG ARG A 66 9.996 -10.875 0.848 1.00 0.00 C ATOM 944 CD ARG A 66 10.598 -11.719 -0.265 1.00 0.00 C ATOM 945 NE ARG A 66 11.681 -11.024 -0.955 1.00 0.00 N ATOM 946 CZ ARG A 66 12.930 -10.978 -0.503 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.251 -11.584 0.631 1.00 0.00 N ATOM 948 NH2 ARG A 66 13.860 -10.325 -1.188 1.00 0.00 N ATOM 0 H ARG A 66 7.259 -10.702 1.904 1.00 0.00 H new ATOM 0 HA ARG A 66 9.148 -8.663 2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.159 -10.464 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.421 -9.283 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.787 -10.323 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.534 -11.526 1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.975 -12.653 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.820 -11.981 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 66 11.467 -10.548 -1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.539 -12.088 1.160 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.210 -11.547 0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.616 -9.858 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.818 -10.290 -0.841 1.00 0.00 H new ATOM 962 N THR A 67 8.313 -6.598 0.996 1.00 0.00 N ATOM 963 CA THR A 67 7.812 -5.348 0.437 1.00 0.00 C ATOM 964 C THR A 67 8.949 -4.501 -0.122 1.00 0.00 C ATOM 965 O THR A 67 10.110 -4.685 0.244 1.00 0.00 O ATOM 966 CB THR A 67 7.046 -4.528 1.492 1.00 0.00 C ATOM 967 OG1 THR A 67 7.761 -4.537 2.733 1.00 0.00 O ATOM 968 CG2 THR A 67 5.648 -5.089 1.703 1.00 0.00 C ATOM 0 H THR A 67 9.132 -6.493 1.595 1.00 0.00 H new ATOM 0 HA THR A 67 7.130 -5.614 -0.371 1.00 0.00 H new ATOM 0 HB THR A 67 6.959 -3.503 1.130 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.268 -4.012 3.398 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.126 -4.494 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.096 -5.054 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.718 -6.122 2.045 1.00 0.00 H new ATOM 976 N MET A 68 8.608 -3.572 -1.009 1.00 0.00 N ATOM 977 CA MET A 68 9.602 -2.695 -1.616 1.00 0.00 C ATOM 978 C MET A 68 9.027 -1.301 -1.849 1.00 0.00 C ATOM 979 O MET A 68 7.938 -1.153 -2.405 1.00 0.00 O ATOM 980 CB MET A 68 10.093 -3.284 -2.940 1.00 0.00 C ATOM 981 CG MET A 68 11.527 -2.911 -3.277 1.00 0.00 C ATOM 982 SD MET A 68 12.051 -3.543 -4.882 1.00 0.00 S ATOM 983 CE MET A 68 13.739 -2.946 -4.947 1.00 0.00 C ATOM 0 H MET A 68 7.652 -3.407 -1.323 1.00 0.00 H new ATOM 0 HA MET A 68 10.444 -2.612 -0.929 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.009 -4.370 -2.898 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.440 -2.944 -3.744 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.628 -1.826 -3.268 1.00 0.00 H new ATOM 0 HG3 MET A 68 12.190 -3.299 -2.504 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.199 -3.258 -5.885 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.743 -1.858 -4.885 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.303 -3.359 -4.111 1.00 0.00 H new ATOM 993 N VAL A 69 9.765 -0.282 -1.420 1.00 0.00 N ATOM 994 CA VAL A 69 9.328 1.100 -1.583 1.00 0.00 C ATOM 995 C VAL A 69 10.353 1.911 -2.368 1.00 0.00 C ATOM 996 O VAL A 69 11.460 2.157 -1.891 1.00 0.00 O ATOM 997 CB VAL A 69 9.088 1.777 -0.220 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.377 1.826 0.586 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.517 3.173 -0.413 1.00 0.00 C ATOM 0 H VAL A 69 10.668 -0.387 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 69 8.390 1.073 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 69 8.362 1.186 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.188 2.307 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.740 0.812 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.128 2.394 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.353 3.637 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.218 3.776 -0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.569 3.108 -0.948 1.00 0.00 H new ATOM 1009 N GLN A 70 9.975 2.324 -3.573 1.00 0.00 N ATOM 1010 CA GLN A 70 10.862 3.108 -4.424 1.00 0.00 C ATOM 1011 C GLN A 70 10.571 4.599 -4.287 1.00 0.00 C ATOM 1012 O GLN A 70 9.584 5.101 -4.825 1.00 0.00 O ATOM 1013 CB GLN A 70 10.712 2.680 -5.885 1.00 0.00 C ATOM 1014 CG GLN A 70 11.935 2.980 -6.736 1.00 0.00 C ATOM 1015 CD GLN A 70 13.159 2.203 -6.293 1.00 0.00 C ATOM 1016 OE1 GLN A 70 13.168 0.972 -6.313 1.00 0.00 O ATOM 1017 NE2 GLN A 70 14.201 2.920 -5.889 1.00 0.00 N ATOM 0 H GLN A 70 9.061 2.129 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 70 11.887 2.925 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.508 1.610 -5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.847 3.185 -6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.716 2.743 -7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.151 4.047 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.150 3.939 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.053 2.452 -5.579 1.00 0.00 H new ATOM 1026 N ASP A 71 11.436 5.301 -3.562 1.00 0.00 N ATOM 1027 CA ASP A 71 11.272 6.735 -3.355 1.00 0.00 C ATOM 1028 C ASP A 71 11.572 7.507 -4.635 1.00 0.00 C ATOM 1029 O ASP A 71 12.583 7.267 -5.294 1.00 0.00 O ATOM 1030 CB ASP A 71 12.188 7.216 -2.228 1.00 0.00 C ATOM 1031 CG ASP A 71 13.565 6.586 -2.292 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.689 5.393 -1.943 1.00 0.00 O ATOM 1033 OD2 ASP A 71 14.520 7.286 -2.690 1.00 0.00 O ATOM 0 H ASP A 71 12.257 4.900 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 71 10.235 6.921 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.285 8.300 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.730 6.983 -1.267 1.00 0.00 H new ATOM 1038 N ASN A 72 10.686 8.435 -4.982 1.00 0.00 N ATOM 1039 CA ASN A 72 10.855 9.242 -6.185 1.00 0.00 C ATOM 1040 C ASN A 72 10.779 10.730 -5.857 1.00 0.00 C ATOM 1041 O ASN A 72 11.441 11.552 -6.491 1.00 0.00 O ATOM 1042 CB ASN A 72 9.788 8.881 -7.220 1.00 0.00 C ATOM 1043 CG ASN A 72 9.840 7.419 -7.619 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.716 7.002 -8.376 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.899 6.633 -7.109 1.00 0.00 N ATOM 0 H ASN A 72 9.844 8.647 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 72 11.840 9.030 -6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.802 9.110 -6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.921 9.502 -8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.883 5.640 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.192 7.022 -6.485 1.00 0.00 H new ATOM 1052 N LYS A 73 9.967 11.070 -4.862 1.00 0.00 N ATOM 1053 CA LYS A 73 9.804 12.458 -4.447 1.00 0.00 C ATOM 1054 C LYS A 73 9.429 13.341 -5.634 1.00 0.00 C ATOM 1055 O LYS A 73 9.769 14.523 -5.672 1.00 0.00 O ATOM 1056 CB LYS A 73 11.093 12.974 -3.802 1.00 0.00 C ATOM 1057 CG LYS A 73 11.442 12.277 -2.499 1.00 0.00 C ATOM 1058 CD LYS A 73 12.316 11.056 -2.736 1.00 0.00 C ATOM 1059 CE LYS A 73 13.794 11.414 -2.701 1.00 0.00 C ATOM 1060 NZ LYS A 73 14.251 12.006 -3.988 1.00 0.00 N ATOM 0 H LYS A 73 9.411 10.402 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 73 8.997 12.500 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.917 12.847 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.994 14.044 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.960 12.974 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.526 11.977 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.105 10.303 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.070 10.613 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.978 12.120 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.379 10.520 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.279 11.879 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.769 11.532 -4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.024 13.021 -4.003 1.00 0.00 H new ATOM 1074 N ASP A 74 8.724 12.759 -6.598 1.00 0.00 N ATOM 1075 CA ASP A 74 8.300 13.493 -7.784 1.00 0.00 C ATOM 1076 C ASP A 74 6.784 13.659 -7.808 1.00 0.00 C ATOM 1077 O ASP A 74 6.164 13.642 -8.870 1.00 0.00 O ATOM 1078 CB ASP A 74 8.766 12.772 -9.050 1.00 0.00 C ATOM 1079 CG ASP A 74 8.866 13.702 -10.243 1.00 0.00 C ATOM 1080 OD1 ASP A 74 9.757 14.577 -10.241 1.00 0.00 O ATOM 1081 OD2 ASP A 74 8.053 13.554 -11.179 1.00 0.00 O ATOM 0 H ASP A 74 8.434 11.781 -6.581 1.00 0.00 H new ATOM 0 HA ASP A 74 8.755 14.483 -7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.738 12.315 -8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.072 11.964 -9.280 1.00 0.00 H new ATOM 1086 N GLY A 75 6.193 13.819 -6.627 1.00 0.00 N ATOM 1087 CA GLY A 75 4.754 13.984 -6.534 1.00 0.00 C ATOM 1088 C GLY A 75 4.053 12.718 -6.083 1.00 0.00 C ATOM 1089 O GLY A 75 3.098 12.771 -5.308 1.00 0.00 O ATOM 0 H GLY A 75 6.685 13.837 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.528 14.789 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.363 14.286 -7.505 1.00 0.00 H new ATOM 1093 N THR A 76 4.526 11.576 -6.571 1.00 0.00 N ATOM 1094 CA THR A 76 3.936 10.291 -6.215 1.00 0.00 C ATOM 1095 C THR A 76 5.007 9.293 -5.790 1.00 0.00 C ATOM 1096 O THR A 76 6.202 9.581 -5.864 1.00 0.00 O ATOM 1097 CB THR A 76 3.134 9.697 -7.389 1.00 0.00 C ATOM 1098 OG1 THR A 76 3.950 9.647 -8.564 1.00 0.00 O ATOM 1099 CG2 THR A 76 1.888 10.524 -7.665 1.00 0.00 C ATOM 0 H THR A 76 5.316 11.514 -7.214 1.00 0.00 H new ATOM 0 HA THR A 76 3.261 10.474 -5.379 1.00 0.00 H new ATOM 0 HB THR A 76 2.828 8.687 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.434 9.267 -9.305 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.338 10.086 -8.498 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.255 10.536 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.177 11.544 -7.918 1.00 0.00 H new ATOM 1107 N TYR A 77 4.573 8.119 -5.346 1.00 0.00 N ATOM 1108 CA TYR A 77 5.495 7.079 -4.907 1.00 0.00 C ATOM 1109 C TYR A 77 5.197 5.756 -5.607 1.00 0.00 C ATOM 1110 O TYR A 77 4.129 5.577 -6.192 1.00 0.00 O ATOM 1111 CB TYR A 77 5.408 6.897 -3.391 1.00 0.00 C ATOM 1112 CG TYR A 77 6.166 7.947 -2.611 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.602 9.190 -2.352 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.447 7.697 -2.133 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.290 10.154 -1.640 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.142 8.654 -1.419 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.560 9.880 -1.176 1.00 0.00 C ATOM 1118 OH TYR A 77 8.250 10.836 -0.466 1.00 0.00 O ATOM 0 H TYR A 77 3.588 7.864 -5.281 1.00 0.00 H new ATOM 0 HA TYR A 77 6.506 7.390 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.361 6.919 -3.090 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.794 5.912 -3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.608 9.407 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.907 6.738 -2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.837 11.115 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.136 8.443 -1.053 1.00 0.00 H new ATOM 0 HH TYR A 77 8.238 10.608 0.487 1.00 0.00 H new ATOM 1128 N TYR A 78 6.150 4.833 -5.542 1.00 0.00 N ATOM 1129 CA TYR A 78 5.992 3.527 -6.171 1.00 0.00 C ATOM 1130 C TYR A 78 6.176 2.406 -5.152 1.00 0.00 C ATOM 1131 O TYR A 78 7.299 2.080 -4.766 1.00 0.00 O ATOM 1132 CB TYR A 78 6.997 3.362 -7.313 1.00 0.00 C ATOM 1133 CG TYR A 78 6.504 2.468 -8.428 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.256 2.667 -9.004 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.287 1.425 -8.906 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.801 1.852 -10.023 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.842 0.606 -9.926 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.598 0.824 -10.481 1.00 0.00 C ATOM 1139 OH TYR A 78 5.150 0.010 -11.495 1.00 0.00 O ATOM 0 H TYR A 78 7.039 4.965 -5.060 1.00 0.00 H new ATOM 0 HA TYR A 78 4.981 3.466 -6.574 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.233 4.344 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.925 2.952 -6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.630 3.473 -8.649 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.261 1.251 -8.473 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.827 2.019 -10.458 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.464 -0.200 -10.287 1.00 0.00 H new ATOM 0 HH TYR A 78 5.832 -0.663 -11.700 1.00 0.00 H new ATOM 1149 N ILE A 79 5.064 1.820 -4.720 1.00 0.00 N ATOM 1150 CA ILE A 79 5.101 0.735 -3.748 1.00 0.00 C ATOM 1151 C ILE A 79 4.803 -0.606 -4.409 1.00 0.00 C ATOM 1152 O ILE A 79 3.951 -0.699 -5.292 1.00 0.00 O ATOM 1153 CB ILE A 79 4.093 0.967 -2.607 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.366 2.307 -1.920 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.158 -0.173 -1.602 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.128 2.952 -1.339 1.00 0.00 C ATOM 0 H ILE A 79 4.127 2.079 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 79 6.109 0.717 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 79 3.089 0.995 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.095 2.156 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.818 2.990 -2.640 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.440 0.006 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.919 -1.112 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.162 -0.231 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.397 3.898 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.406 3.135 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.687 2.289 -0.595 1.00 0.00 H new ATOM 1168 N SER A 80 5.510 -1.644 -3.974 1.00 0.00 N ATOM 1169 CA SER A 80 5.323 -2.981 -4.525 1.00 0.00 C ATOM 1170 C SER A 80 5.462 -4.042 -3.437 1.00 0.00 C ATOM 1171 O SER A 80 6.291 -3.917 -2.535 1.00 0.00 O ATOM 1172 CB SER A 80 6.337 -3.243 -5.640 1.00 0.00 C ATOM 1173 OG SER A 80 6.036 -2.476 -6.794 1.00 0.00 O ATOM 0 H SER A 80 6.218 -1.585 -3.242 1.00 0.00 H new ATOM 0 HA SER A 80 4.316 -3.039 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.340 -2.999 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.337 -4.303 -5.894 1.00 0.00 H new ATOM 0 HG SER A 80 6.700 -2.660 -7.491 1.00 0.00 H new ATOM 1179 N TYR A 81 4.645 -5.085 -3.529 1.00 0.00 N ATOM 1180 CA TYR A 81 4.674 -6.166 -2.552 1.00 0.00 C ATOM 1181 C TYR A 81 4.432 -7.514 -3.224 1.00 0.00 C ATOM 1182 O TYR A 81 3.740 -7.601 -4.240 1.00 0.00 O ATOM 1183 CB TYR A 81 3.623 -5.929 -1.466 1.00 0.00 C ATOM 1184 CG TYR A 81 2.200 -6.052 -1.963 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.576 -7.291 -2.043 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.480 -4.930 -2.354 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.277 -7.409 -2.497 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.180 -5.038 -2.808 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.417 -6.279 -2.878 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.712 -6.391 -3.331 1.00 0.00 O ATOM 0 H TYR A 81 3.955 -5.205 -4.270 1.00 0.00 H new ATOM 0 HA TYR A 81 5.663 -6.181 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.780 -6.644 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.767 -4.934 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.116 -8.177 -1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.945 -3.957 -2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.193 -8.380 -2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.366 -4.155 -3.107 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.057 -5.502 -3.557 1.00 0.00 H new ATOM 1200 N THR A 82 5.006 -8.567 -2.649 1.00 0.00 N ATOM 1201 CA THR A 82 4.854 -9.911 -3.191 1.00 0.00 C ATOM 1202 C THR A 82 4.574 -10.921 -2.084 1.00 0.00 C ATOM 1203 O THR A 82 5.461 -11.305 -1.322 1.00 0.00 O ATOM 1204 CB THR A 82 6.111 -10.350 -3.965 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.462 -9.356 -4.934 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.881 -11.684 -4.659 1.00 0.00 C ATOM 0 H THR A 82 5.580 -8.514 -1.808 1.00 0.00 H new ATOM 0 HA THR A 82 4.007 -9.882 -3.876 1.00 0.00 H new ATOM 0 HB THR A 82 6.928 -10.466 -3.252 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.263 -9.642 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.782 -11.973 -5.199 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.643 -12.445 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.052 -11.591 -5.360 1.00 0.00 H new ATOM 1214 N PRO A 83 3.311 -11.365 -1.992 1.00 0.00 N ATOM 1215 CA PRO A 83 2.885 -12.338 -0.983 1.00 0.00 C ATOM 1216 C PRO A 83 3.458 -13.728 -1.239 1.00 0.00 C ATOM 1217 O PRO A 83 3.644 -14.132 -2.387 1.00 0.00 O ATOM 1218 CB PRO A 83 1.361 -12.354 -1.125 1.00 0.00 C ATOM 1219 CG PRO A 83 1.108 -11.925 -2.529 1.00 0.00 C ATOM 1220 CD PRO A 83 2.202 -10.950 -2.868 1.00 0.00 C ATOM 0 HA PRO A 83 3.231 -12.067 0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.956 -13.348 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.890 -11.677 -0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.123 -12.779 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.127 -11.459 -2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.479 -11.006 -3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.899 -9.921 -2.673 1.00 0.00 H new ATOM 1228 N LYS A 84 3.736 -14.456 -0.163 1.00 0.00 N ATOM 1229 CA LYS A 84 4.287 -15.802 -0.270 1.00 0.00 C ATOM 1230 C LYS A 84 3.174 -16.845 -0.287 1.00 0.00 C ATOM 1231 O LYS A 84 3.173 -17.750 -1.120 1.00 0.00 O ATOM 1232 CB LYS A 84 5.242 -16.078 0.893 1.00 0.00 C ATOM 1233 CG LYS A 84 6.597 -15.409 0.739 1.00 0.00 C ATOM 1234 CD LYS A 84 6.594 -14.005 1.319 1.00 0.00 C ATOM 1235 CE LYS A 84 6.900 -14.016 2.809 1.00 0.00 C ATOM 1236 NZ LYS A 84 5.737 -14.490 3.610 1.00 0.00 N ATOM 0 H LYS A 84 3.589 -14.136 0.794 1.00 0.00 H new ATOM 0 HA LYS A 84 4.838 -15.869 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.781 -15.737 1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.386 -17.154 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.359 -16.008 1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.865 -15.367 -0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.332 -13.394 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.622 -13.542 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.759 -14.660 2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.177 -13.012 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.743 -14.025 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.854 -14.256 3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.800 -15.520 3.738 1.00 0.00 H new ATOM 1250 N GLU A 85 2.229 -16.711 0.639 1.00 0.00 N ATOM 1251 CA GLU A 85 1.111 -17.642 0.728 1.00 0.00 C ATOM 1252 C GLU A 85 -0.217 -16.919 0.525 1.00 0.00 C ATOM 1253 O GLU A 85 -0.349 -15.723 0.788 1.00 0.00 O ATOM 1254 CB GLU A 85 1.116 -18.351 2.084 1.00 0.00 C ATOM 1255 CG GLU A 85 0.913 -17.413 3.262 1.00 0.00 C ATOM 1256 CD GLU A 85 0.478 -18.140 4.520 1.00 0.00 C ATOM 1257 OE1 GLU A 85 -0.739 -18.359 4.689 1.00 0.00 O ATOM 1258 OE2 GLU A 85 1.357 -18.492 5.334 1.00 0.00 O ATOM 0 H GLU A 85 2.216 -15.967 1.337 1.00 0.00 H new ATOM 0 HA GLU A 85 1.225 -18.384 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.330 -19.107 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.064 -18.875 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.842 -16.878 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.163 -16.666 3.001 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.227 -17.660 0.045 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.563 -17.112 -0.204 1.00 0.00 C ATOM 1267 C PRO A 86 -3.299 -16.768 1.086 1.00 0.00 C ATOM 1268 O PRO A 86 -2.971 -17.282 2.155 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.280 -18.245 -0.943 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.577 -19.484 -0.509 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.142 -19.092 -0.290 1.00 0.00 C ATOM 0 HA PRO A 86 -2.522 -16.178 -0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.338 -18.279 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.220 -18.113 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.017 -19.882 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.657 -20.264 -1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.687 -19.667 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.539 -19.261 -1.182 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.297 -15.896 0.979 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.064 -15.500 2.146 1.00 0.00 C ATOM 1281 C GLY A 87 -5.305 -14.004 2.200 1.00 0.00 C ATOM 1282 O GLY A 87 -4.922 -13.272 1.287 1.00 0.00 O ATOM 0 H GLY A 87 -4.588 -15.457 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.022 -16.019 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.537 -15.813 3.047 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.945 -13.548 3.273 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.237 -12.130 3.442 1.00 0.00 C ATOM 1288 C VAL A 88 -5.091 -11.412 4.147 1.00 0.00 C ATOM 1289 O VAL A 88 -4.603 -11.867 5.181 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.533 -11.917 4.247 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.441 -12.604 5.601 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.820 -10.432 4.412 1.00 0.00 C ATOM 0 H VAL A 88 -6.271 -14.140 4.037 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.364 -11.712 2.443 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.360 -12.365 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.366 -12.442 6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.287 -13.673 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.604 -12.189 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.739 -10.300 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.993 -9.958 4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.934 -9.972 3.430 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.667 -10.288 3.580 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.576 -9.508 4.153 1.00 0.00 C ATOM 1304 C TYR A 89 -4.045 -8.103 4.519 1.00 0.00 C ATOM 1305 O TYR A 89 -5.173 -7.712 4.214 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.408 -9.428 3.169 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.645 -10.726 3.027 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.174 -11.790 2.307 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.395 -10.887 3.613 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.481 -12.977 2.176 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.305 -12.071 3.485 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.242 -13.113 2.766 1.00 0.00 C ATOM 1313 OH TYR A 89 0.452 -14.294 2.636 1.00 0.00 O ATOM 0 H TYR A 89 -5.062 -9.897 2.725 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.243 -10.008 5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.787 -9.131 2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.722 -8.647 3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.143 -11.687 1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.036 -10.073 4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.907 -13.795 1.614 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.276 -12.180 3.946 1.00 0.00 H new ATOM 0 HH TYR A 89 0.384 -14.614 1.712 1.00 0.00 H new ATOM 1323 N THR A 90 -3.171 -7.347 5.176 1.00 0.00 N ATOM 1324 CA THR A 90 -3.494 -5.986 5.585 1.00 0.00 C ATOM 1325 C THR A 90 -2.373 -5.021 5.215 1.00 0.00 C ATOM 1326 O THR A 90 -1.289 -5.060 5.797 1.00 0.00 O ATOM 1327 CB THR A 90 -3.750 -5.901 7.101 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.511 -7.034 7.534 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.492 -4.620 7.454 1.00 0.00 C ATOM 0 H THR A 90 -2.234 -7.654 5.436 1.00 0.00 H new ATOM 0 HA THR A 90 -4.403 -5.703 5.055 1.00 0.00 H new ATOM 0 HB THR A 90 -2.786 -5.896 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.668 -6.973 8.499 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.661 -4.582 8.530 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.897 -3.759 7.150 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.450 -4.600 6.935 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.642 -4.154 4.244 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.657 -3.176 3.797 1.00 0.00 C ATOM 1339 C VAL A 91 -1.653 -1.948 4.700 1.00 0.00 C ATOM 1340 O VAL A 91 -2.572 -1.130 4.656 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.923 -2.732 2.347 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.850 -1.761 1.879 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.998 -3.941 1.426 1.00 0.00 C ATOM 0 H VAL A 91 -3.534 -4.109 3.752 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.683 -3.663 3.846 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.883 -2.217 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.056 -1.459 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.849 -0.881 2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.125 -2.246 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.187 -3.609 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.054 -4.485 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.807 -4.596 1.750 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.614 -1.825 5.518 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.490 -0.695 6.432 1.00 0.00 C ATOM 1355 C TRP A 92 0.177 0.491 5.745 1.00 0.00 C ATOM 1356 O TRP A 92 1.399 0.530 5.601 1.00 0.00 O ATOM 1357 CB TRP A 92 0.311 -1.100 7.671 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.476 -1.923 8.645 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.408 -2.877 8.348 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.402 -1.863 10.073 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.917 -3.413 9.505 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.316 -2.809 10.578 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.348 -1.105 10.976 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.498 -3.014 11.943 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.166 -1.308 12.330 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.750 -2.257 12.803 1.00 0.00 C ATOM 0 H TRP A 92 0.155 -2.494 5.567 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.493 -0.396 6.738 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.190 -1.663 7.358 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.670 -0.201 8.173 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.701 -3.167 7.350 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.628 -4.143 9.557 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.058 -0.373 10.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.204 -3.744 12.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.739 -0.726 13.036 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.868 -2.394 13.868 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.632 1.457 5.322 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.119 2.645 4.651 1.00 0.00 C ATOM 1379 C VAL A 93 -0.252 3.878 5.538 1.00 0.00 C ATOM 1380 O VAL A 93 -1.346 4.416 5.709 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.855 2.900 3.322 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.339 4.170 2.661 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.704 1.706 2.392 1.00 0.00 C ATOM 0 H VAL A 93 -1.646 1.440 5.432 1.00 0.00 H new ATOM 0 HA VAL A 93 0.936 2.462 4.445 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.916 3.034 3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.870 4.334 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.504 5.019 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.728 4.068 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.230 1.903 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.353 1.538 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.126 0.820 2.866 1.00 0.00 H new ATOM 1393 N CYS A 94 0.868 4.320 6.098 1.00 0.00 N ATOM 1394 CA CYS A 94 0.878 5.490 6.968 1.00 0.00 C ATOM 1395 C CYS A 94 2.039 6.416 6.622 1.00 0.00 C ATOM 1396 O CYS A 94 3.137 5.958 6.303 1.00 0.00 O ATOM 1397 CB CYS A 94 0.971 5.061 8.433 1.00 0.00 C ATOM 1398 SG CYS A 94 0.061 3.547 8.818 1.00 0.00 S ATOM 0 H CYS A 94 1.781 3.886 5.965 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.054 6.034 6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.020 4.918 8.693 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.595 5.868 9.061 1.00 0.00 H new ATOM 0 HG CYS A 94 0.202 3.265 10.079 1.00 0.00 H new ATOM 1404 N ILE A 95 1.789 7.719 6.685 1.00 0.00 N ATOM 1405 CA ILE A 95 2.814 8.709 6.378 1.00 0.00 C ATOM 1406 C ILE A 95 3.129 9.571 7.596 1.00 0.00 C ATOM 1407 O ILE A 95 2.239 10.188 8.181 1.00 0.00 O ATOM 1408 CB ILE A 95 2.384 9.622 5.214 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.220 8.806 3.931 1.00 0.00 C ATOM 1410 CG2 ILE A 95 3.399 10.738 5.014 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.253 9.421 2.943 1.00 0.00 C ATOM 0 H ILE A 95 0.886 8.114 6.946 1.00 0.00 H new ATOM 0 HA ILE A 95 3.708 8.158 6.086 1.00 0.00 H new ATOM 0 HB ILE A 95 1.422 10.072 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.194 8.695 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.876 7.804 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.082 11.375 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.470 11.333 5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.374 10.307 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.186 8.789 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.268 9.506 3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.607 10.411 2.656 1.00 0.00 H new ATOM 1423 N LYS A 96 4.403 9.609 7.973 1.00 0.00 N ATOM 1424 CA LYS A 96 4.838 10.398 9.119 1.00 0.00 C ATOM 1425 C LYS A 96 4.084 9.987 10.380 1.00 0.00 C ATOM 1426 O LYS A 96 3.635 10.837 11.149 1.00 0.00 O ATOM 1427 CB LYS A 96 4.627 11.889 8.849 1.00 0.00 C ATOM 1428 CG LYS A 96 5.543 12.448 7.773 1.00 0.00 C ATOM 1429 CD LYS A 96 5.690 13.955 7.894 1.00 0.00 C ATOM 1430 CE LYS A 96 4.402 14.672 7.521 1.00 0.00 C ATOM 1431 NZ LYS A 96 4.249 14.807 6.046 1.00 0.00 N ATOM 0 H LYS A 96 5.152 9.102 7.501 1.00 0.00 H new ATOM 0 HA LYS A 96 5.901 10.211 9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.591 12.053 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.786 12.443 9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.524 11.979 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.145 12.198 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.969 14.214 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.498 14.296 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.551 14.124 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.391 15.661 7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.798 15.718 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.185 14.766 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.657 14.032 5.686 1.00 0.00 H new ATOM 1445 N GLU A 97 3.950 8.681 10.585 1.00 0.00 N ATOM 1446 CA GLU A 97 3.250 8.159 11.754 1.00 0.00 C ATOM 1447 C GLU A 97 1.777 8.558 11.728 1.00 0.00 C ATOM 1448 O GLU A 97 1.208 8.932 12.754 1.00 0.00 O ATOM 1449 CB GLU A 97 3.906 8.670 13.038 1.00 0.00 C ATOM 1450 CG GLU A 97 5.360 8.252 13.187 1.00 0.00 C ATOM 1451 CD GLU A 97 6.165 9.229 14.022 1.00 0.00 C ATOM 1452 OE1 GLU A 97 6.252 10.412 13.632 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.707 8.810 15.066 1.00 0.00 O ATOM 0 H GLU A 97 4.316 7.965 9.958 1.00 0.00 H new ATOM 0 HA GLU A 97 3.314 7.071 11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.846 9.758 13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.342 8.303 13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.405 7.264 13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.812 8.165 12.199 1.00 0.00 H new ATOM 1460 N GLN A 98 1.168 8.476 10.550 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.237 8.830 10.391 1.00 0.00 C ATOM 1462 C GLN A 98 -0.899 7.965 9.322 1.00 0.00 C ATOM 1463 O GLN A 98 -0.312 7.701 8.272 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.375 10.309 10.025 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.085 11.251 11.181 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.345 12.703 10.830 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.391 13.257 11.169 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.608 13.328 10.148 1.00 0.00 N ATOM 0 H GLN A 98 1.625 8.168 9.692 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.740 8.650 11.341 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.304 10.536 9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.387 10.492 9.663 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.701 10.972 12.036 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.955 11.136 11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.459 12.830 9.888 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.489 14.306 9.884 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.123 7.527 9.597 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.865 6.692 8.659 1.00 0.00 C ATOM 1479 C HIS A 99 -3.510 7.542 7.568 1.00 0.00 C ATOM 1480 O HIS A 99 -4.028 8.626 7.837 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.936 5.887 9.396 1.00 0.00 C ATOM 1482 CG HIS A 99 -3.405 5.108 10.560 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -3.426 3.731 10.615 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -2.834 5.521 11.715 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -2.893 3.330 11.756 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -2.525 4.398 12.441 1.00 0.00 N ATOM 0 H HIS A 99 -2.622 7.736 10.462 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.163 6.003 8.190 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.712 6.567 9.748 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.409 5.200 8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.655 6.544 12.011 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.778 2.304 12.074 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.083 4.389 13.360 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.474 7.042 6.337 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.056 7.755 5.206 1.00 0.00 C ATOM 1497 C VAL A 100 -5.501 7.331 4.973 1.00 0.00 C ATOM 1498 O VAL A 100 -6.032 6.482 5.689 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.248 7.516 3.916 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.820 8.015 4.080 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.266 6.042 3.542 1.00 0.00 C ATOM 0 H VAL A 100 -3.048 6.147 6.098 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.028 8.816 5.453 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.714 8.079 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.265 7.838 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.831 9.083 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.340 7.482 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.691 5.891 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.826 5.456 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.295 5.720 3.380 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.132 7.926 3.966 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.518 7.609 3.639 1.00 0.00 C ATOM 1513 C GLN A 101 -7.653 6.158 3.191 1.00 0.00 C ATOM 1514 O GLN A 101 -6.692 5.552 2.718 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.032 8.545 2.544 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.461 8.253 2.116 1.00 0.00 C ATOM 1517 CD GLN A 101 -10.160 9.471 1.544 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -11.113 9.986 2.130 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -9.688 9.939 0.395 1.00 0.00 N ATOM 0 H GLN A 101 -5.706 8.630 3.363 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.119 7.749 4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.971 9.574 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.378 8.468 1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.458 7.458 1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.025 7.884 2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.896 9.481 -0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.117 10.757 -0.037 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.853 5.606 3.342 1.00 0.00 N ATOM 1529 CA GLY A 102 -9.091 4.230 2.948 1.00 0.00 C ATOM 1530 C GLY A 102 -7.938 3.315 3.311 1.00 0.00 C ATOM 1531 O GLY A 102 -7.489 2.515 2.490 1.00 0.00 O ATOM 0 H GLY A 102 -9.664 6.087 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.001 3.870 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.260 4.187 1.872 1.00 0.00 H new ATOM 1535 N SER A 103 -7.457 3.433 4.544 1.00 0.00 N ATOM 1536 CA SER A 103 -6.345 2.613 5.012 1.00 0.00 C ATOM 1537 C SER A 103 -6.298 2.582 6.537 1.00 0.00 C ATOM 1538 O SER A 103 -6.722 3.516 7.216 1.00 0.00 O ATOM 1539 CB SER A 103 -5.022 3.148 4.461 1.00 0.00 C ATOM 1540 OG SER A 103 -4.787 2.671 3.147 1.00 0.00 O ATOM 0 H SER A 103 -7.819 4.088 5.237 1.00 0.00 H new ATOM 0 HA SER A 103 -6.497 1.597 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.040 4.238 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.203 2.844 5.113 1.00 0.00 H new ATOM 0 HG SER A 103 -5.644 2.501 2.703 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.768 1.480 7.089 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.260 0.360 6.290 1.00 0.00 C ATOM 1548 C PRO A 104 -6.377 -0.407 5.592 1.00 0.00 C ATOM 1549 O PRO A 104 -7.530 -0.372 6.020 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.567 -0.528 7.326 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.247 -0.212 8.613 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.625 1.241 8.535 1.00 0.00 C ATOM 0 HA PRO A 104 -4.602 0.696 5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.668 -1.584 7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.500 -0.314 7.380 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.129 -0.838 8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.586 -0.399 9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.553 1.444 9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.858 1.880 8.974 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.027 -1.102 4.514 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.000 -1.878 3.755 1.00 0.00 C ATOM 1562 C PHE A 105 -6.559 -3.334 3.633 1.00 0.00 C ATOM 1563 O PHE A 105 -5.365 -3.633 3.606 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.193 -1.274 2.363 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.960 -1.335 1.507 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.595 -2.515 0.879 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.167 -0.213 1.330 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.461 -2.575 0.091 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.033 -0.267 0.542 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.679 -1.449 -0.077 1.00 0.00 C ATOM 0 H PHE A 105 -5.076 -1.143 4.147 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.949 -1.847 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.003 -1.799 1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.503 -0.234 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.204 -3.398 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.438 0.714 1.813 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.187 -3.501 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.424 0.615 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.792 -1.493 -0.692 1.00 0.00 H new ATOM 1580 N THR A 106 -7.532 -4.237 3.561 1.00 0.00 N ATOM 1581 CA THR A 106 -7.246 -5.661 3.444 1.00 0.00 C ATOM 1582 C THR A 106 -7.005 -6.056 1.991 1.00 0.00 C ATOM 1583 O THR A 106 -7.439 -5.365 1.069 1.00 0.00 O ATOM 1584 CB THR A 106 -8.396 -6.514 4.012 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.654 -5.893 3.724 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.245 -6.694 5.515 1.00 0.00 C ATOM 0 H THR A 106 -8.525 -4.007 3.582 1.00 0.00 H new ATOM 0 HA THR A 106 -6.343 -5.850 4.024 1.00 0.00 H new ATOM 0 HB THR A 106 -8.359 -7.496 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.380 -6.442 4.087 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.069 -7.300 5.893 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.300 -7.193 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.258 -5.719 6.001 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.310 -7.172 1.794 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.013 -7.660 0.452 1.00 0.00 C ATOM 1596 C VAL A 107 -6.363 -9.137 0.315 1.00 0.00 C ATOM 1597 O VAL A 107 -6.021 -9.951 1.173 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.526 -7.461 0.100 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.221 -8.042 -1.273 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.158 -5.987 0.158 1.00 0.00 C ATOM 0 H VAL A 107 -5.942 -7.755 2.546 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.624 -7.079 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.921 -7.992 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.167 -7.893 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.445 -9.109 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.832 -7.541 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.104 -5.865 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.768 -5.431 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.338 -5.606 1.163 1.00 0.00 H new ATOM 1610 N THR A 108 -7.049 -9.479 -0.772 1.00 0.00 N ATOM 1611 CA THR A 108 -7.447 -10.858 -1.023 1.00 0.00 C ATOM 1612 C THR A 108 -6.473 -11.547 -1.972 1.00 0.00 C ATOM 1613 O THR A 108 -6.516 -11.335 -3.183 1.00 0.00 O ATOM 1614 CB THR A 108 -8.866 -10.934 -1.617 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.793 -10.261 -0.759 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.298 -12.380 -1.804 1.00 0.00 C ATOM 0 H THR A 108 -7.340 -8.819 -1.493 1.00 0.00 H new ATOM 0 HA THR A 108 -7.436 -11.370 -0.061 1.00 0.00 H new ATOM 0 HB THR A 108 -8.854 -10.446 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.692 -10.312 -1.145 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.303 -12.408 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.607 -12.881 -2.482 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.294 -12.889 -0.840 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.596 -12.376 -1.413 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.612 -13.099 -2.210 1.00 0.00 C ATOM 1626 C VAL A 109 -5.111 -14.495 -2.564 1.00 0.00 C ATOM 1627 O VAL A 109 -5.509 -15.263 -1.689 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.268 -13.218 -1.469 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.270 -14.014 -2.297 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.718 -11.839 -1.138 1.00 0.00 C ATOM 0 H VAL A 109 -5.547 -12.563 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.463 -12.527 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.435 -13.752 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.326 -14.088 -1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.663 -15.014 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.105 -13.511 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.768 -11.942 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.565 -11.277 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.426 -11.308 -0.502 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.085 -14.817 -3.853 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.536 -16.122 -4.324 1.00 0.00 C ATOM 1642 C ARG A 110 -4.353 -17.065 -4.525 1.00 0.00 C ATOM 1643 O ARG A 110 -3.196 -16.657 -4.422 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.313 -15.975 -5.633 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.438 -14.956 -5.562 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.425 -15.135 -6.706 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.086 -16.436 -6.660 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.252 -16.689 -7.244 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.882 -15.734 -7.915 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.790 -17.898 -7.158 1.00 0.00 N ATOM 0 H ARG A 110 -4.757 -14.193 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.193 -16.547 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.622 -15.686 -6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.729 -16.944 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.960 -15.055 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.021 -13.949 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.175 -14.346 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.902 -15.028 -7.656 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.627 -17.192 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.471 -14.803 -7.983 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.777 -15.931 -8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.308 -18.635 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.685 -18.091 -7.607 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.652 -18.328 -4.811 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.614 -19.329 -5.024 1.00 0.00 C ATOM 1666 C ARG A 111 -3.149 -19.329 -6.477 1.00 0.00 C ATOM 1667 O ARG A 111 -3.956 -19.199 -7.399 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.130 -20.718 -4.643 1.00 0.00 C ATOM 1669 CG ARG A 111 -4.039 -21.014 -3.155 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.037 -22.083 -2.737 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.417 -21.958 -1.333 1.00 0.00 N ATOM 1672 CZ ARG A 111 -4.666 -22.392 -0.327 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -3.500 -22.974 -0.569 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -5.080 -22.242 0.925 1.00 0.00 N ATOM 0 H ARG A 111 -5.604 -18.682 -4.900 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.765 -19.077 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.169 -20.810 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.562 -21.470 -5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.029 -21.342 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.224 -20.101 -2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -5.928 -22.011 -3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.605 -23.069 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.308 -21.513 -1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -3.177 -23.090 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.925 -23.306 0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.976 -21.793 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.502 -22.576 1.697 1.00 0.00 H new ATOM 1688 N LYS A 112 -1.844 -19.475 -6.675 1.00 0.00 N ATOM 1689 CA LYS A 112 -1.270 -19.493 -8.016 1.00 0.00 C ATOM 1690 C LYS A 112 -1.310 -20.899 -8.606 1.00 0.00 C ATOM 1691 O LYS A 112 -1.664 -21.860 -7.923 1.00 0.00 O ATOM 1692 CB LYS A 112 0.173 -18.983 -7.982 1.00 0.00 C ATOM 1693 CG LYS A 112 1.124 -19.899 -7.231 1.00 0.00 C ATOM 1694 CD LYS A 112 1.757 -20.925 -8.157 1.00 0.00 C ATOM 1695 CE LYS A 112 2.496 -22.000 -7.375 1.00 0.00 C ATOM 1696 NZ LYS A 112 3.895 -21.597 -7.064 1.00 0.00 N ATOM 0 H LYS A 112 -1.163 -19.583 -5.924 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.866 -18.836 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.531 -18.861 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.190 -17.997 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.905 -19.305 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.585 -20.411 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.985 -21.387 -8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.449 -20.426 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.962 -22.205 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.504 -22.926 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.200 -22.054 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.522 -21.891 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.942 -20.564 -6.954 1.00 0.00 H new ATOM 1710 N HIS A 113 -0.943 -21.012 -9.879 1.00 0.00 N ATOM 1711 CA HIS A 113 -0.935 -22.301 -10.560 1.00 0.00 C ATOM 1712 C HIS A 113 0.417 -22.559 -11.220 1.00 0.00 C ATOM 1713 O HIS A 113 1.182 -21.627 -11.473 1.00 0.00 O ATOM 1714 CB HIS A 113 -2.046 -22.354 -11.609 1.00 0.00 C ATOM 1715 CG HIS A 113 -2.086 -23.641 -12.375 1.00 0.00 C ATOM 1716 ND1 HIS A 113 -1.043 -24.081 -13.162 1.00 0.00 N ATOM 1717 CD2 HIS A 113 -3.051 -24.586 -12.468 1.00 0.00 C ATOM 1718 CE1 HIS A 113 -1.366 -25.240 -13.709 1.00 0.00 C ATOM 1719 NE2 HIS A 113 -2.579 -25.568 -13.303 1.00 0.00 N ATOM 0 H HIS A 113 -0.648 -20.227 -10.459 1.00 0.00 H new ATOM 0 HA HIS A 113 -1.110 -23.078 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -3.007 -22.204 -11.117 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -1.914 -21.528 -12.308 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -4.013 -24.570 -11.977 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -0.744 -25.820 -14.375 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -3.084 -26.414 -13.567 1.00 0.00 H new TER 1728 HIS A 113