USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1075 hydrogens (27 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= -0.995 X(o=-1,f=-1) USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= 0.58 USER MOD Set 2.2: A 81 THR OG1 : rot 84:sc= 0.0351 USER MOD Set 2.3: A 97 THR OG1 : rot -108:sc= -0.45 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00585) USER MOD Single : A 28 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.895 K(o=0.89,f=-5.7!) USER MOD Single : A 38 SER OG : rot -140:sc= -0.351 USER MOD Single : A 47 ASN : amide:sc=-0.000924 K(o=-0.00092,f=-0.94) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.314 USER MOD Single : A 54 SER OG : rot 180:sc= -0.651 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.557 USER MOD Single : A 59 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.38) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 67 SER OG : rot 106:sc= 1.29 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 44:sc= 1.16 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.751 USER MOD Single : A 80 ASN : amide:sc= -4.07! C(o=-4.1!,f=-4.6!) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -3.25! C(o=-3.2!,f=-7.3!) USER MOD Single : A 95 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00493) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.282 K(o=-0.28,f=-4.2!) USER MOD Single : A 109 ASN : amide:sc= -0.0436 X(o=-0.044,f=-0.19) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot -89:sc= 0.935 USER MOD Single : A 124 ASN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.4) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.7!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.58) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -3.119 13.438 7.641 1.00 54.33 N ATOM 2 CA GLY A 2 -3.635 14.161 8.789 1.00 54.11 C ATOM 3 C GLY A 2 -4.973 13.625 9.257 1.00 54.21 C ATOM 4 O GLY A 2 -5.038 12.592 9.922 1.00 11.40 O ATOM 0 HA2 GLY A 2 -2.916 14.100 9.606 1.00 54.11 H new ATOM 0 HA3 GLY A 2 -3.738 15.216 8.534 1.00 54.11 H new ATOM 8 N ALA A 3 -6.045 14.331 8.910 1.00 33.40 N ATOM 9 CA ALA A 3 -7.389 13.920 9.299 1.00 61.41 C ATOM 10 C ALA A 3 -7.872 12.748 8.451 1.00 63.22 C ATOM 11 O ALA A 3 -8.163 11.671 8.972 1.00 11.22 O ATOM 12 CB ALA A 3 -8.353 15.091 9.181 1.00 31.53 C ATOM 0 H ALA A 3 -6.009 15.190 8.361 1.00 33.40 H new ATOM 0 HA ALA A 3 -7.356 13.593 10.338 1.00 61.41 H new ATOM 0 HB1 ALA A 3 -9.353 14.770 9.474 1.00 31.53 H new ATOM 0 HB2 ALA A 3 -8.025 15.900 9.834 1.00 31.53 H new ATOM 0 HB3 ALA A 3 -8.373 15.443 8.150 1.00 31.53 H new ATOM 18 N ARG A 4 -7.954 12.964 7.142 1.00 3.12 N ATOM 19 CA ARG A 4 -8.403 11.926 6.223 1.00 32.24 C ATOM 20 C ARG A 4 -7.482 10.711 6.283 1.00 42.34 C ATOM 21 O ARG A 4 -6.309 10.790 5.917 1.00 13.25 O ATOM 22 CB ARG A 4 -8.457 12.469 4.793 1.00 33.05 C ATOM 23 CG ARG A 4 -8.931 11.448 3.772 1.00 40.21 C ATOM 24 CD ARG A 4 -8.028 11.422 2.550 1.00 42.13 C ATOM 25 NE ARG A 4 -7.899 12.741 1.935 1.00 32.03 N ATOM 26 CZ ARG A 4 -8.828 13.282 1.155 1.00 60.20 C ATOM 27 NH1 ARG A 4 -9.947 12.620 0.894 1.00 4.25 N ATOM 28 NH2 ARG A 4 -8.638 14.487 0.633 1.00 40.43 N ATOM 0 H ARG A 4 -7.715 13.849 6.694 1.00 3.12 H new ATOM 0 HA ARG A 4 -9.404 11.617 6.525 1.00 32.24 H new ATOM 0 HB2 ARG A 4 -9.121 13.333 4.766 1.00 33.05 H new ATOM 0 HB3 ARG A 4 -7.465 12.821 4.509 1.00 33.05 H new ATOM 0 HG2 ARG A 4 -8.955 10.459 4.229 1.00 40.21 H new ATOM 0 HG3 ARG A 4 -9.951 11.683 3.467 1.00 40.21 H new ATOM 0 HD2 ARG A 4 -7.041 11.058 2.836 1.00 42.13 H new ATOM 0 HD3 ARG A 4 -8.428 10.719 1.819 1.00 42.13 H new ATOM 0 HE ARG A 4 -7.049 13.276 2.114 1.00 32.03 H new ATOM 0 HH11 ARG A 4 -10.096 11.693 1.293 1.00 4.25 H new ATOM 0 HH12 ARG A 4 -10.659 13.038 0.295 1.00 4.25 H new ATOM 0 HH21 ARG A 4 -7.778 14.999 0.831 1.00 40.43 H new ATOM 0 HH22 ARG A 4 -9.352 14.902 0.034 1.00 40.43 H new ATOM 42 N ALA A 5 -8.021 9.588 6.746 1.00 34.23 N ATOM 43 CA ALA A 5 -7.249 8.357 6.853 1.00 62.23 C ATOM 44 C ALA A 5 -7.951 7.204 6.142 1.00 1.53 C ATOM 45 O ALA A 5 -8.931 7.410 5.427 1.00 54.31 O ATOM 46 CB ALA A 5 -7.008 8.009 8.314 1.00 11.43 C ATOM 0 H ALA A 5 -8.990 9.506 7.053 1.00 34.23 H new ATOM 0 HA ALA A 5 -6.287 8.518 6.366 1.00 62.23 H new ATOM 0 HB1 ALA A 5 -6.430 7.087 8.378 1.00 11.43 H new ATOM 0 HB2 ALA A 5 -6.456 8.817 8.794 1.00 11.43 H new ATOM 0 HB3 ALA A 5 -7.965 7.873 8.818 1.00 11.43 H new ATOM 52 N SER A 6 -7.443 5.993 6.345 1.00 72.32 N ATOM 53 CA SER A 6 -8.021 4.809 5.720 1.00 44.13 C ATOM 54 C SER A 6 -7.908 4.888 4.200 1.00 60.41 C ATOM 55 O SER A 6 -8.872 5.224 3.511 1.00 10.34 O ATOM 56 CB SER A 6 -9.487 4.654 6.127 1.00 2.05 C ATOM 57 OG SER A 6 -9.634 3.677 7.144 1.00 61.13 O ATOM 0 H SER A 6 -6.633 5.806 6.937 1.00 72.32 H new ATOM 0 HA SER A 6 -7.463 3.938 6.064 1.00 44.13 H new ATOM 0 HB2 SER A 6 -9.873 5.611 6.479 1.00 2.05 H new ATOM 0 HB3 SER A 6 -10.081 4.371 5.258 1.00 2.05 H new ATOM 0 HG SER A 6 -10.580 3.598 7.388 1.00 61.13 H new ATOM 63 N VAL A 7 -6.724 4.574 3.684 1.00 41.13 N ATOM 64 CA VAL A 7 -6.484 4.608 2.246 1.00 72.12 C ATOM 65 C VAL A 7 -6.944 3.315 1.581 1.00 3.22 C ATOM 66 O VAL A 7 -7.722 3.336 0.626 1.00 12.35 O ATOM 67 CB VAL A 7 -4.994 4.833 1.930 1.00 21.35 C ATOM 68 CG1 VAL A 7 -4.766 4.877 0.427 1.00 33.13 C ATOM 69 CG2 VAL A 7 -4.497 6.110 2.591 1.00 3.02 C ATOM 0 H VAL A 7 -5.916 4.293 4.240 1.00 41.13 H new ATOM 0 HA VAL A 7 -7.061 5.443 1.849 1.00 72.12 H new ATOM 0 HB VAL A 7 -4.425 3.996 2.334 1.00 21.35 H new ATOM 0 HG11 VAL A 7 -3.707 5.037 0.224 1.00 33.13 H new ATOM 0 HG12 VAL A 7 -5.082 3.933 -0.017 1.00 33.13 H new ATOM 0 HG13 VAL A 7 -5.345 5.693 -0.005 1.00 33.13 H new ATOM 0 HG21 VAL A 7 -3.442 6.254 2.357 1.00 3.02 H new ATOM 0 HG22 VAL A 7 -5.070 6.959 2.219 1.00 3.02 H new ATOM 0 HG23 VAL A 7 -4.622 6.033 3.671 1.00 3.02 H new ATOM 79 N LEU A 8 -6.457 2.189 2.092 1.00 35.42 N ATOM 80 CA LEU A 8 -6.818 0.884 1.550 1.00 74.23 C ATOM 81 C LEU A 8 -8.168 0.423 2.092 1.00 24.01 C ATOM 82 O LEU A 8 -8.636 0.915 3.118 1.00 72.42 O ATOM 83 CB LEU A 8 -5.740 -0.147 1.888 1.00 43.51 C ATOM 84 CG LEU A 8 -4.421 -0.014 1.126 1.00 14.20 C ATOM 85 CD1 LEU A 8 -3.335 -0.846 1.789 1.00 24.22 C ATOM 86 CD2 LEU A 8 -4.601 -0.429 -0.327 1.00 40.24 C ATOM 0 H LEU A 8 -5.811 2.154 2.881 1.00 35.42 H new ATOM 0 HA LEU A 8 -6.895 0.977 0.467 1.00 74.23 H new ATOM 0 HB2 LEU A 8 -5.528 -0.084 2.955 1.00 43.51 H new ATOM 0 HB3 LEU A 8 -6.145 -1.141 1.701 1.00 43.51 H new ATOM 0 HG LEU A 8 -4.114 1.032 1.149 1.00 14.20 H new ATOM 0 HD11 LEU A 8 -2.404 -0.739 1.233 1.00 24.22 H new ATOM 0 HD12 LEU A 8 -3.188 -0.503 2.813 1.00 24.22 H new ATOM 0 HD13 LEU A 8 -3.634 -1.894 1.797 1.00 24.22 H new ATOM 0 HD21 LEU A 8 -3.652 -0.328 -0.854 1.00 40.24 H new ATOM 0 HD22 LEU A 8 -4.932 -1.467 -0.371 1.00 40.24 H new ATOM 0 HD23 LEU A 8 -5.348 0.210 -0.798 1.00 40.24 H new ATOM 98 N SER A 9 -8.786 -0.527 1.397 1.00 63.44 N ATOM 99 CA SER A 9 -10.081 -1.054 1.808 1.00 54.24 C ATOM 100 C SER A 9 -9.919 -2.098 2.908 1.00 41.14 C ATOM 101 O SER A 9 -8.860 -2.208 3.523 1.00 32.51 O ATOM 102 CB SER A 9 -10.808 -1.668 0.610 1.00 55.34 C ATOM 103 OG SER A 9 -12.191 -1.359 0.640 1.00 52.02 O ATOM 0 H SER A 9 -8.410 -0.947 0.547 1.00 63.44 H new ATOM 0 HA SER A 9 -10.674 -0.228 2.200 1.00 54.24 H new ATOM 0 HB2 SER A 9 -10.369 -1.296 -0.316 1.00 55.34 H new ATOM 0 HB3 SER A 9 -10.674 -2.750 0.614 1.00 55.34 H new ATOM 0 HG SER A 9 -12.633 -1.761 -0.137 1.00 52.02 H new ATOM 109 N GLY A 10 -10.979 -2.864 3.149 1.00 61.10 N ATOM 110 CA GLY A 10 -10.934 -3.889 4.175 1.00 74.42 C ATOM 111 C GLY A 10 -10.557 -5.249 3.620 1.00 13.04 C ATOM 112 O GLY A 10 -9.682 -5.926 4.159 1.00 52.10 O ATOM 0 H GLY A 10 -11.867 -2.793 2.652 1.00 61.10 H new ATOM 0 HA2 GLY A 10 -10.214 -3.600 4.941 1.00 74.42 H new ATOM 0 HA3 GLY A 10 -11.907 -3.955 4.661 1.00 74.42 H new ATOM 116 N GLY A 11 -11.219 -5.651 2.540 1.00 53.13 N ATOM 117 CA GLY A 11 -10.936 -6.937 1.932 1.00 41.45 C ATOM 118 C GLY A 11 -9.592 -6.963 1.230 1.00 11.34 C ATOM 119 O GLY A 11 -9.004 -8.027 1.041 1.00 75.45 O ATOM 0 H GLY A 11 -11.947 -5.108 2.075 1.00 53.13 H new ATOM 0 HA2 GLY A 11 -10.957 -7.711 2.699 1.00 41.45 H new ATOM 0 HA3 GLY A 11 -11.721 -7.178 1.216 1.00 41.45 H new ATOM 123 N GLU A 12 -9.105 -5.788 0.843 1.00 11.32 N ATOM 124 CA GLU A 12 -7.823 -5.681 0.157 1.00 2.42 C ATOM 125 C GLU A 12 -6.672 -5.638 1.158 1.00 51.11 C ATOM 126 O GLU A 12 -5.639 -6.279 0.960 1.00 22.03 O ATOM 127 CB GLU A 12 -7.794 -4.431 -0.724 1.00 42.05 C ATOM 128 CG GLU A 12 -7.529 -4.726 -2.191 1.00 54.43 C ATOM 129 CD GLU A 12 -8.670 -4.287 -3.090 1.00 24.34 C ATOM 130 OE1 GLU A 12 -8.823 -3.066 -3.301 1.00 31.21 O ATOM 131 OE2 GLU A 12 -9.409 -5.166 -3.581 1.00 45.51 O ATOM 0 H GLU A 12 -9.579 -4.897 0.993 1.00 11.32 H new ATOM 0 HA GLU A 12 -7.702 -6.563 -0.472 1.00 2.42 H new ATOM 0 HB2 GLU A 12 -8.747 -3.911 -0.633 1.00 42.05 H new ATOM 0 HB3 GLU A 12 -7.025 -3.754 -0.354 1.00 42.05 H new ATOM 0 HG2 GLU A 12 -6.613 -4.221 -2.500 1.00 54.43 H new ATOM 0 HG3 GLU A 12 -7.362 -5.796 -2.318 1.00 54.43 H new ATOM 138 N LEU A 13 -6.858 -4.879 2.232 1.00 33.12 N ATOM 139 CA LEU A 13 -5.836 -4.751 3.264 1.00 31.54 C ATOM 140 C LEU A 13 -5.367 -6.123 3.739 1.00 33.45 C ATOM 141 O LEU A 13 -4.185 -6.323 4.019 1.00 33.34 O ATOM 142 CB LEU A 13 -6.376 -3.947 4.448 1.00 15.42 C ATOM 143 CG LEU A 13 -5.328 -3.305 5.358 1.00 23.44 C ATOM 144 CD1 LEU A 13 -5.970 -2.265 6.263 1.00 50.05 C ATOM 145 CD2 LEU A 13 -4.618 -4.367 6.185 1.00 31.52 C ATOM 0 H LEU A 13 -7.707 -4.343 2.411 1.00 33.12 H new ATOM 0 HA LEU A 13 -4.984 -4.225 2.833 1.00 31.54 H new ATOM 0 HB2 LEU A 13 -7.024 -3.160 4.062 1.00 15.42 H new ATOM 0 HB3 LEU A 13 -7.000 -4.605 5.053 1.00 15.42 H new ATOM 0 HG LEU A 13 -4.589 -2.805 4.732 1.00 23.44 H new ATOM 0 HD11 LEU A 13 -5.208 -1.820 6.903 1.00 50.05 H new ATOM 0 HD12 LEU A 13 -6.432 -1.488 5.654 1.00 50.05 H new ATOM 0 HD13 LEU A 13 -6.731 -2.741 6.882 1.00 50.05 H new ATOM 0 HD21 LEU A 13 -3.876 -3.892 6.827 1.00 31.52 H new ATOM 0 HD22 LEU A 13 -5.346 -4.895 6.801 1.00 31.52 H new ATOM 0 HD23 LEU A 13 -4.123 -5.075 5.520 1.00 31.52 H new ATOM 157 N ASP A 14 -6.301 -7.064 3.827 1.00 53.25 N ATOM 158 CA ASP A 14 -5.983 -8.418 4.264 1.00 2.04 C ATOM 159 C ASP A 14 -4.999 -9.082 3.307 1.00 61.11 C ATOM 160 O ASP A 14 -4.038 -9.723 3.732 1.00 32.14 O ATOM 161 CB ASP A 14 -7.259 -9.256 4.366 1.00 22.42 C ATOM 162 CG ASP A 14 -7.220 -10.230 5.528 1.00 72.44 C ATOM 163 OD1 ASP A 14 -6.401 -11.173 5.484 1.00 33.30 O ATOM 164 OD2 ASP A 14 -8.007 -10.050 6.479 1.00 10.51 O ATOM 0 H ASP A 14 -7.284 -6.914 3.601 1.00 53.25 H new ATOM 0 HA ASP A 14 -5.518 -8.356 5.248 1.00 2.04 H new ATOM 0 HB2 ASP A 14 -8.117 -8.594 4.479 1.00 22.42 H new ATOM 0 HB3 ASP A 14 -7.403 -9.808 3.437 1.00 22.42 H new ATOM 169 N LYS A 15 -5.244 -8.924 2.010 1.00 20.54 N ATOM 170 CA LYS A 15 -4.380 -9.508 0.991 1.00 33.34 C ATOM 171 C LYS A 15 -2.986 -8.891 1.042 1.00 51.41 C ATOM 172 O LYS A 15 -1.988 -9.569 0.797 1.00 11.43 O ATOM 173 CB LYS A 15 -4.989 -9.306 -0.398 1.00 64.11 C ATOM 174 CG LYS A 15 -5.853 -10.467 -0.859 1.00 33.23 C ATOM 175 CD LYS A 15 -6.190 -10.360 -2.336 1.00 61.42 C ATOM 176 CE LYS A 15 -7.682 -10.531 -2.582 1.00 63.24 C ATOM 177 NZ LYS A 15 -8.422 -9.252 -2.404 1.00 12.43 N ATOM 0 H LYS A 15 -6.034 -8.396 1.640 1.00 20.54 H new ATOM 0 HA LYS A 15 -4.293 -10.576 1.191 1.00 33.34 H new ATOM 0 HB2 LYS A 15 -5.590 -8.397 -0.393 1.00 64.11 H new ATOM 0 HB3 LYS A 15 -4.186 -9.153 -1.119 1.00 64.11 H new ATOM 0 HG2 LYS A 15 -5.332 -11.406 -0.671 1.00 33.23 H new ATOM 0 HG3 LYS A 15 -6.774 -10.491 -0.276 1.00 33.23 H new ATOM 0 HD2 LYS A 15 -5.867 -9.390 -2.715 1.00 61.42 H new ATOM 0 HD3 LYS A 15 -5.639 -11.119 -2.892 1.00 61.42 H new ATOM 0 HE2 LYS A 15 -7.843 -10.906 -3.593 1.00 63.24 H new ATOM 0 HE3 LYS A 15 -8.080 -11.279 -1.897 1.00 63.24 H new ATOM 0 HZ1 LYS A 15 -9.435 -9.410 -2.580 1.00 12.43 H new ATOM 0 HZ2 LYS A 15 -8.289 -8.906 -1.432 1.00 12.43 H new ATOM 0 HZ3 LYS A 15 -8.060 -8.545 -3.075 1.00 12.43 H new ATOM 191 N TRP A 16 -2.926 -7.604 1.362 1.00 44.44 N ATOM 192 CA TRP A 16 -1.653 -6.896 1.446 1.00 62.43 C ATOM 193 C TRP A 16 -0.710 -7.586 2.425 1.00 60.32 C ATOM 194 O TRP A 16 0.486 -7.713 2.164 1.00 4.22 O ATOM 195 CB TRP A 16 -1.879 -5.446 1.873 1.00 41.41 C ATOM 196 CG TRP A 16 -0.609 -4.713 2.187 1.00 34.22 C ATOM 197 CD1 TRP A 16 -0.059 -4.520 3.422 1.00 73.20 C ATOM 198 CD2 TRP A 16 0.267 -4.077 1.251 1.00 12.02 C ATOM 199 NE1 TRP A 16 1.107 -3.801 3.310 1.00 15.23 N ATOM 200 CE2 TRP A 16 1.329 -3.518 1.989 1.00 41.14 C ATOM 201 CE3 TRP A 16 0.259 -3.926 -0.138 1.00 53.35 C ATOM 202 CZ2 TRP A 16 2.369 -2.819 1.381 1.00 31.13 C ATOM 203 CZ3 TRP A 16 1.292 -3.232 -0.739 1.00 41.12 C ATOM 204 CH2 TRP A 16 2.336 -2.686 0.020 1.00 24.33 C ATOM 0 H TRP A 16 -3.743 -7.029 1.568 1.00 44.44 H new ATOM 0 HA TRP A 16 -1.193 -6.908 0.458 1.00 62.43 H new ATOM 0 HB2 TRP A 16 -2.407 -4.919 1.078 1.00 41.41 H new ATOM 0 HB3 TRP A 16 -2.526 -5.430 2.750 1.00 41.41 H new ATOM 0 HD1 TRP A 16 -0.478 -4.879 4.350 1.00 73.20 H new ATOM 0 HE1 TRP A 16 1.709 -3.523 4.085 1.00 15.23 H new ATOM 0 HE3 TRP A 16 -0.540 -4.344 -0.732 1.00 53.35 H new ATOM 0 HZ2 TRP A 16 3.174 -2.396 1.964 1.00 31.13 H new ATOM 0 HZ3 TRP A 16 1.295 -3.108 -1.812 1.00 41.12 H new ATOM 0 HH2 TRP A 16 3.130 -2.150 -0.479 1.00 24.33 H new ATOM 215 N GLU A 17 -1.257 -8.032 3.552 1.00 21.40 N ATOM 216 CA GLU A 17 -0.462 -8.709 4.571 1.00 71.14 C ATOM 217 C GLU A 17 -0.216 -10.166 4.188 1.00 25.14 C ATOM 218 O GLU A 17 0.615 -10.847 4.792 1.00 54.02 O ATOM 219 CB GLU A 17 -1.165 -8.639 5.927 1.00 5.44 C ATOM 220 CG GLU A 17 -0.874 -7.361 6.697 1.00 12.53 C ATOM 221 CD GLU A 17 -1.221 -7.474 8.169 1.00 63.21 C ATOM 222 OE1 GLU A 17 -1.731 -8.538 8.579 1.00 40.01 O ATOM 223 OE2 GLU A 17 -0.982 -6.498 8.911 1.00 24.12 O ATOM 0 H GLU A 17 -2.246 -7.937 3.782 1.00 21.40 H new ATOM 0 HA GLU A 17 0.500 -8.202 4.642 1.00 71.14 H new ATOM 0 HB2 GLU A 17 -2.241 -8.724 5.774 1.00 5.44 H new ATOM 0 HB3 GLU A 17 -0.860 -9.494 6.530 1.00 5.44 H new ATOM 0 HG2 GLU A 17 0.182 -7.112 6.595 1.00 12.53 H new ATOM 0 HG3 GLU A 17 -1.439 -6.539 6.257 1.00 12.53 H new ATOM 230 N LYS A 18 -0.944 -10.639 3.182 1.00 22.30 N ATOM 231 CA LYS A 18 -0.806 -12.014 2.717 1.00 23.14 C ATOM 232 C LYS A 18 0.298 -12.127 1.671 1.00 14.33 C ATOM 233 O LYS A 18 0.671 -13.227 1.265 1.00 65.42 O ATOM 234 CB LYS A 18 -2.130 -12.512 2.133 1.00 1.44 C ATOM 235 CG LYS A 18 -2.398 -13.983 2.401 1.00 14.53 C ATOM 236 CD LYS A 18 -3.888 -14.277 2.453 1.00 20.35 C ATOM 237 CE LYS A 18 -4.160 -15.773 2.487 1.00 61.43 C ATOM 238 NZ LYS A 18 -5.588 -16.085 2.204 1.00 50.35 N ATOM 0 H LYS A 18 -1.636 -10.090 2.673 1.00 22.30 H new ATOM 0 HA LYS A 18 -0.537 -12.635 3.572 1.00 23.14 H new ATOM 0 HB2 LYS A 18 -2.946 -11.921 2.549 1.00 1.44 H new ATOM 0 HB3 LYS A 18 -2.130 -12.342 1.056 1.00 1.44 H new ATOM 0 HG2 LYS A 18 -1.934 -14.586 1.621 1.00 14.53 H new ATOM 0 HG3 LYS A 18 -1.936 -14.272 3.345 1.00 14.53 H new ATOM 0 HD2 LYS A 18 -4.322 -13.807 3.336 1.00 20.35 H new ATOM 0 HD3 LYS A 18 -4.377 -13.837 1.584 1.00 20.35 H new ATOM 0 HE2 LYS A 18 -3.527 -16.274 1.754 1.00 61.43 H new ATOM 0 HE3 LYS A 18 -3.889 -16.169 3.466 1.00 61.43 H new ATOM 0 HZ1 LYS A 18 -5.731 -17.115 2.237 1.00 50.35 H new ATOM 0 HZ2 LYS A 18 -6.191 -15.629 2.918 1.00 50.35 H new ATOM 0 HZ3 LYS A 18 -5.840 -15.730 1.260 1.00 50.35 H new ATOM 252 N ILE A 19 0.816 -10.982 1.239 1.00 23.41 N ATOM 253 CA ILE A 19 1.880 -10.953 0.242 1.00 75.13 C ATOM 254 C ILE A 19 3.253 -10.946 0.903 1.00 62.40 C ATOM 255 O ILE A 19 3.488 -10.211 1.862 1.00 2.44 O ATOM 256 CB ILE A 19 1.757 -9.723 -0.675 1.00 43.52 C ATOM 257 CG1 ILE A 19 0.385 -9.697 -1.352 1.00 65.40 C ATOM 258 CG2 ILE A 19 2.867 -9.725 -1.715 1.00 63.44 C ATOM 259 CD1 ILE A 19 -0.178 -8.304 -1.525 1.00 43.12 C ATOM 0 H ILE A 19 0.517 -10.063 1.563 1.00 23.41 H new ATOM 0 HA ILE A 19 1.775 -11.856 -0.359 1.00 75.13 H new ATOM 0 HB ILE A 19 1.857 -8.824 -0.067 1.00 43.52 H new ATOM 0 HG12 ILE A 19 0.462 -10.173 -2.330 1.00 65.40 H new ATOM 0 HG13 ILE A 19 -0.313 -10.291 -0.763 1.00 65.40 H new ATOM 0 HG21 ILE A 19 2.767 -8.849 -2.356 1.00 63.44 H new ATOM 0 HG22 ILE A 19 3.835 -9.699 -1.214 1.00 63.44 H new ATOM 0 HG23 ILE A 19 2.796 -10.628 -2.321 1.00 63.44 H new ATOM 0 HD11 ILE A 19 -1.152 -8.363 -2.011 1.00 43.12 H new ATOM 0 HD12 ILE A 19 -0.288 -7.832 -0.549 1.00 43.12 H new ATOM 0 HD13 ILE A 19 0.499 -7.712 -2.140 1.00 43.12 H new ATOM 271 N ARG A 20 4.158 -11.770 0.383 1.00 4.35 N ATOM 272 CA ARG A 20 5.510 -11.858 0.922 1.00 30.54 C ATOM 273 C ARG A 20 6.425 -10.829 0.267 1.00 62.45 C ATOM 274 O ARG A 20 5.986 -10.028 -0.560 1.00 61.30 O ATOM 275 CB ARG A 20 6.074 -13.265 0.714 1.00 70.11 C ATOM 276 CG ARG A 20 5.921 -13.777 -0.710 1.00 24.54 C ATOM 277 CD ARG A 20 6.360 -15.229 -0.829 1.00 4.53 C ATOM 278 NE ARG A 20 5.571 -16.111 0.024 1.00 34.33 N ATOM 279 CZ ARG A 20 5.690 -17.434 0.025 1.00 61.43 C ATOM 280 NH1 ARG A 20 6.564 -18.023 -0.780 1.00 21.45 N ATOM 281 NH2 ARG A 20 4.934 -18.170 0.830 1.00 25.30 N ATOM 0 H ARG A 20 3.979 -12.386 -0.410 1.00 4.35 H new ATOM 0 HA ARG A 20 5.463 -11.647 1.990 1.00 30.54 H new ATOM 0 HB2 ARG A 20 7.131 -13.267 0.980 1.00 70.11 H new ATOM 0 HB3 ARG A 20 5.572 -13.953 1.395 1.00 70.11 H new ATOM 0 HG2 ARG A 20 4.881 -13.683 -1.022 1.00 24.54 H new ATOM 0 HG3 ARG A 20 6.513 -13.160 -1.386 1.00 24.54 H new ATOM 0 HD2 ARG A 20 6.269 -15.551 -1.866 1.00 4.53 H new ATOM 0 HD3 ARG A 20 7.413 -15.312 -0.561 1.00 4.53 H new ATOM 0 HE ARG A 20 4.890 -15.688 0.655 1.00 34.33 H new ATOM 0 HH11 ARG A 20 7.146 -17.460 -1.401 1.00 21.45 H new ATOM 0 HH12 ARG A 20 6.655 -19.039 -0.778 1.00 21.45 H new ATOM 0 HH21 ARG A 20 4.260 -17.720 1.449 1.00 25.30 H new ATOM 0 HH22 ARG A 20 5.027 -19.186 0.829 1.00 25.30 H new ATOM 295 N LEU A 21 7.700 -10.856 0.639 1.00 15.14 N ATOM 296 CA LEU A 21 8.678 -9.925 0.088 1.00 0.22 C ATOM 297 C LEU A 21 9.579 -10.620 -0.928 1.00 31.02 C ATOM 298 O LEU A 21 9.947 -10.037 -1.948 1.00 2.55 O ATOM 299 CB LEU A 21 9.526 -9.321 1.209 1.00 62.42 C ATOM 300 CG LEU A 21 8.754 -8.700 2.373 1.00 1.23 C ATOM 301 CD1 LEU A 21 9.709 -8.025 3.346 1.00 41.12 C ATOM 302 CD2 LEU A 21 7.723 -7.707 1.860 1.00 71.13 C ATOM 0 H LEU A 21 8.081 -11.513 1.320 1.00 15.14 H new ATOM 0 HA LEU A 21 8.136 -9.127 -0.420 1.00 0.22 H new ATOM 0 HB2 LEU A 21 10.177 -10.100 1.605 1.00 62.42 H new ATOM 0 HB3 LEU A 21 10.171 -8.556 0.777 1.00 62.42 H new ATOM 0 HG LEU A 21 8.230 -9.496 2.902 1.00 1.23 H new ATOM 0 HD11 LEU A 21 9.142 -7.588 4.168 1.00 41.12 H new ATOM 0 HD12 LEU A 21 10.409 -8.762 3.739 1.00 41.12 H new ATOM 0 HD13 LEU A 21 10.261 -7.240 2.829 1.00 41.12 H new ATOM 0 HD21 LEU A 21 7.183 -7.275 2.703 1.00 71.13 H new ATOM 0 HD22 LEU A 21 8.226 -6.914 1.306 1.00 71.13 H new ATOM 0 HD23 LEU A 21 7.020 -8.219 1.203 1.00 71.13 H new ATOM 314 N ARG A 22 9.928 -11.871 -0.644 1.00 71.24 N ATOM 315 CA ARG A 22 10.784 -12.646 -1.534 1.00 20.14 C ATOM 316 C ARG A 22 10.001 -13.779 -2.191 1.00 40.04 C ATOM 317 O ARG A 22 8.875 -14.093 -1.805 1.00 72.14 O ATOM 318 CB ARG A 22 11.975 -13.217 -0.761 1.00 13.21 C ATOM 319 CG ARG A 22 13.272 -12.460 -0.995 1.00 22.44 C ATOM 320 CD ARG A 22 14.454 -13.167 -0.350 1.00 73.45 C ATOM 321 NE ARG A 22 15.659 -13.076 -1.169 1.00 65.34 N ATOM 322 CZ ARG A 22 16.815 -13.644 -0.841 1.00 2.41 C ATOM 323 NH1 ARG A 22 16.921 -14.339 0.283 1.00 73.31 N ATOM 324 NH2 ARG A 22 17.868 -13.516 -1.638 1.00 44.15 N ATOM 0 H ARG A 22 9.631 -12.369 0.195 1.00 71.24 H new ATOM 0 HA ARG A 22 11.151 -11.980 -2.315 1.00 20.14 H new ATOM 0 HB2 ARG A 22 11.745 -13.206 0.304 1.00 13.21 H new ATOM 0 HB3 ARG A 22 12.116 -14.260 -1.046 1.00 13.21 H new ATOM 0 HG2 ARG A 22 13.447 -12.359 -2.066 1.00 22.44 H new ATOM 0 HG3 ARG A 22 13.184 -11.452 -0.590 1.00 22.44 H new ATOM 0 HD2 ARG A 22 14.648 -12.730 0.629 1.00 73.45 H new ATOM 0 HD3 ARG A 22 14.205 -14.216 -0.187 1.00 73.45 H new ATOM 0 HE ARG A 22 15.611 -12.548 -2.040 1.00 65.34 H new ATOM 0 HH11 ARG A 22 16.114 -14.439 0.899 1.00 73.31 H new ATOM 0 HH12 ARG A 22 17.810 -14.774 0.532 1.00 73.31 H new ATOM 0 HH21 ARG A 22 17.791 -12.981 -2.503 1.00 44.15 H new ATOM 0 HH22 ARG A 22 18.755 -13.952 -1.385 1.00 44.15 H new ATOM 338 N PRO A 23 10.609 -14.407 -3.208 1.00 42.31 N ATOM 339 CA PRO A 23 9.988 -15.513 -3.941 1.00 23.44 C ATOM 340 C PRO A 23 9.878 -16.779 -3.097 1.00 25.01 C ATOM 341 O PRO A 23 8.813 -17.387 -3.006 1.00 44.53 O ATOM 342 CB PRO A 23 10.939 -15.737 -5.120 1.00 21.33 C ATOM 343 CG PRO A 23 12.257 -15.232 -4.643 1.00 41.53 C ATOM 344 CD PRO A 23 11.952 -14.084 -3.721 1.00 33.41 C ATOM 0 HA PRO A 23 8.966 -15.281 -4.239 1.00 23.44 H new ATOM 0 HB2 PRO A 23 10.993 -16.792 -5.390 1.00 21.33 H new ATOM 0 HB3 PRO A 23 10.605 -15.197 -6.006 1.00 21.33 H new ATOM 0 HG2 PRO A 23 12.809 -16.014 -4.122 1.00 41.53 H new ATOM 0 HG3 PRO A 23 12.876 -14.907 -5.479 1.00 41.53 H new ATOM 0 HD2 PRO A 23 12.683 -14.010 -2.916 1.00 33.41 H new ATOM 0 HD3 PRO A 23 11.962 -13.131 -4.249 1.00 33.41 H new ATOM 352 N GLY A 24 10.990 -17.171 -2.480 1.00 12.14 N ATOM 353 CA GLY A 24 10.996 -18.361 -1.650 1.00 64.10 C ATOM 354 C GLY A 24 11.303 -18.054 -0.197 1.00 33.30 C ATOM 355 O GLY A 24 11.858 -18.888 0.516 1.00 23.13 O ATOM 0 H GLY A 24 11.885 -16.686 -2.541 1.00 12.14 H new ATOM 0 HA2 GLY A 24 10.025 -18.852 -1.717 1.00 64.10 H new ATOM 0 HA3 GLY A 24 11.736 -19.064 -2.034 1.00 64.10 H new ATOM 359 N GLY A 25 10.940 -16.853 0.242 1.00 53.44 N ATOM 360 CA GLY A 25 11.189 -16.459 1.616 1.00 42.45 C ATOM 361 C GLY A 25 9.966 -16.621 2.496 1.00 31.44 C ATOM 362 O GLY A 25 8.994 -17.270 2.109 1.00 32.22 O ATOM 0 H GLY A 25 10.478 -16.146 -0.330 1.00 53.44 H new ATOM 0 HA2 GLY A 25 12.005 -17.058 2.020 1.00 42.45 H new ATOM 0 HA3 GLY A 25 11.514 -15.419 1.639 1.00 42.45 H new ATOM 366 N LYS A 26 10.013 -16.033 3.686 1.00 10.41 N ATOM 367 CA LYS A 26 8.901 -16.114 4.626 1.00 24.33 C ATOM 368 C LYS A 26 8.458 -14.723 5.067 1.00 23.15 C ATOM 369 O LYS A 26 7.476 -14.575 5.795 1.00 70.30 O ATOM 370 CB LYS A 26 9.299 -16.947 5.847 1.00 50.34 C ATOM 371 CG LYS A 26 9.316 -18.443 5.584 1.00 11.25 C ATOM 372 CD LYS A 26 9.070 -19.235 6.858 1.00 50.31 C ATOM 373 CE LYS A 26 10.368 -19.517 7.598 1.00 4.51 C ATOM 374 NZ LYS A 26 10.745 -20.955 7.530 1.00 4.44 N ATOM 0 H LYS A 26 10.811 -15.494 4.023 1.00 10.41 H new ATOM 0 HA LYS A 26 8.065 -16.598 4.121 1.00 24.33 H new ATOM 0 HB2 LYS A 26 10.288 -16.634 6.183 1.00 50.34 H new ATOM 0 HB3 LYS A 26 8.605 -16.738 6.661 1.00 50.34 H new ATOM 0 HG2 LYS A 26 8.553 -18.693 4.846 1.00 11.25 H new ATOM 0 HG3 LYS A 26 10.278 -18.728 5.157 1.00 11.25 H new ATOM 0 HD2 LYS A 26 8.393 -18.680 7.507 1.00 50.31 H new ATOM 0 HD3 LYS A 26 8.578 -20.176 6.613 1.00 50.31 H new ATOM 0 HE2 LYS A 26 11.168 -18.912 7.172 1.00 4.51 H new ATOM 0 HE3 LYS A 26 10.263 -19.218 8.641 1.00 4.51 H new ATOM 0 HZ1 LYS A 26 11.635 -21.105 8.046 1.00 4.44 H new ATOM 0 HZ2 LYS A 26 9.994 -21.532 7.960 1.00 4.44 H new ATOM 0 HZ3 LYS A 26 10.870 -21.234 6.536 1.00 4.44 H new ATOM 388 N LYS A 27 9.188 -13.706 4.623 1.00 61.34 N ATOM 389 CA LYS A 27 8.870 -12.326 4.970 1.00 35.21 C ATOM 390 C LYS A 27 7.567 -11.886 4.310 1.00 34.42 C ATOM 391 O LYS A 27 7.362 -12.103 3.116 1.00 42.23 O ATOM 392 CB LYS A 27 10.008 -11.396 4.546 1.00 62.34 C ATOM 393 CG LYS A 27 10.514 -10.504 5.665 1.00 1.34 C ATOM 394 CD LYS A 27 11.642 -11.166 6.439 1.00 3.22 C ATOM 395 CE LYS A 27 12.997 -10.596 6.048 1.00 52.41 C ATOM 396 NZ LYS A 27 13.214 -9.238 6.621 1.00 73.32 N ATOM 0 H LYS A 27 10.005 -13.811 4.021 1.00 61.34 H new ATOM 0 HA LYS A 27 8.747 -12.269 6.052 1.00 35.21 H new ATOM 0 HB2 LYS A 27 10.836 -11.997 4.169 1.00 62.34 H new ATOM 0 HB3 LYS A 27 9.667 -10.771 3.721 1.00 62.34 H new ATOM 0 HG2 LYS A 27 10.863 -9.559 5.249 1.00 1.34 H new ATOM 0 HG3 LYS A 27 9.694 -10.270 6.344 1.00 1.34 H new ATOM 0 HD2 LYS A 27 11.482 -11.026 7.508 1.00 3.22 H new ATOM 0 HD3 LYS A 27 11.631 -12.240 6.253 1.00 3.22 H new ATOM 0 HE2 LYS A 27 13.785 -11.265 6.392 1.00 52.41 H new ATOM 0 HE3 LYS A 27 13.071 -10.548 4.962 1.00 52.41 H new ATOM 0 HZ1 LYS A 27 13.958 -8.749 6.083 1.00 73.32 H new ATOM 0 HZ2 LYS A 27 12.331 -8.692 6.564 1.00 73.32 H new ATOM 0 HZ3 LYS A 27 13.505 -9.323 7.616 1.00 73.32 H new ATOM 410 N GLN A 28 6.691 -11.267 5.094 1.00 34.12 N ATOM 411 CA GLN A 28 5.409 -10.797 4.584 1.00 15.45 C ATOM 412 C GLN A 28 5.349 -9.273 4.583 1.00 10.10 C ATOM 413 O GLN A 28 6.272 -8.605 5.052 1.00 72.41 O ATOM 414 CB GLN A 28 4.262 -11.362 5.426 1.00 43.13 C ATOM 415 CG GLN A 28 4.012 -12.843 5.195 1.00 42.14 C ATOM 416 CD GLN A 28 4.411 -13.694 6.384 1.00 32.22 C ATOM 417 OE1 GLN A 28 5.431 -13.444 7.027 1.00 61.44 O ATOM 418 NE2 GLN A 28 3.606 -14.707 6.684 1.00 52.11 N ATOM 0 H GLN A 28 6.846 -11.079 6.085 1.00 34.12 H new ATOM 0 HA GLN A 28 5.305 -11.148 3.557 1.00 15.45 H new ATOM 0 HB2 GLN A 28 4.482 -11.199 6.481 1.00 43.13 H new ATOM 0 HB3 GLN A 28 3.350 -10.808 5.201 1.00 43.13 H new ATOM 0 HG2 GLN A 28 2.955 -13.000 4.979 1.00 42.14 H new ATOM 0 HG3 GLN A 28 4.569 -13.169 4.316 1.00 42.14 H new ATOM 0 HE21 GLN A 28 2.771 -14.878 6.124 1.00 52.11 H new ATOM 0 HE22 GLN A 28 3.823 -15.314 7.474 1.00 52.11 H new ATOM 427 N TYR A 29 4.260 -8.728 4.052 1.00 24.12 N ATOM 428 CA TYR A 29 4.083 -7.283 3.986 1.00 13.52 C ATOM 429 C TYR A 29 3.250 -6.782 5.163 1.00 3.25 C ATOM 430 O TYR A 29 2.361 -7.479 5.652 1.00 65.00 O ATOM 431 CB TYR A 29 3.411 -6.889 2.669 1.00 34.30 C ATOM 432 CG TYR A 29 4.389 -6.615 1.549 1.00 34.33 C ATOM 433 CD1 TYR A 29 5.189 -5.479 1.562 1.00 70.33 C ATOM 434 CD2 TYR A 29 4.513 -7.492 0.479 1.00 72.15 C ATOM 435 CE1 TYR A 29 6.083 -5.225 0.540 1.00 3.41 C ATOM 436 CE2 TYR A 29 5.405 -7.246 -0.547 1.00 21.33 C ATOM 437 CZ TYR A 29 6.189 -6.111 -0.512 1.00 30.43 C ATOM 438 OH TYR A 29 7.078 -5.861 -1.531 1.00 65.41 O ATOM 0 H TYR A 29 3.487 -9.266 3.661 1.00 24.12 H new ATOM 0 HA TYR A 29 5.068 -6.820 4.037 1.00 13.52 H new ATOM 0 HB2 TYR A 29 2.735 -7.687 2.363 1.00 34.30 H new ATOM 0 HB3 TYR A 29 2.801 -6.000 2.833 1.00 34.30 H new ATOM 0 HD1 TYR A 29 5.111 -4.783 2.384 1.00 70.33 H new ATOM 0 HD2 TYR A 29 3.901 -8.382 0.449 1.00 72.15 H new ATOM 0 HE1 TYR A 29 6.696 -4.336 0.564 1.00 3.41 H new ATOM 0 HE2 TYR A 29 5.488 -7.938 -1.372 1.00 21.33 H new ATOM 0 HH TYR A 29 7.842 -5.357 -1.182 1.00 65.41 H new ATOM 448 N LYS A 30 3.546 -5.568 5.614 1.00 45.00 N ATOM 449 CA LYS A 30 2.827 -4.970 6.732 1.00 15.32 C ATOM 450 C LYS A 30 2.644 -3.469 6.523 1.00 23.41 C ATOM 451 O LYS A 30 3.267 -2.876 5.642 1.00 54.32 O ATOM 452 CB LYS A 30 3.575 -5.224 8.043 1.00 60.44 C ATOM 453 CG LYS A 30 2.674 -5.671 9.181 1.00 4.01 C ATOM 454 CD LYS A 30 3.135 -6.993 9.772 1.00 42.34 C ATOM 455 CE LYS A 30 2.912 -7.040 11.276 1.00 73.34 C ATOM 456 NZ LYS A 30 3.682 -8.141 11.916 1.00 21.43 N ATOM 0 H LYS A 30 4.280 -4.978 5.222 1.00 45.00 H new ATOM 0 HA LYS A 30 1.843 -5.435 6.786 1.00 15.32 H new ATOM 0 HB2 LYS A 30 4.338 -5.984 7.875 1.00 60.44 H new ATOM 0 HB3 LYS A 30 4.094 -4.312 8.338 1.00 60.44 H new ATOM 0 HG2 LYS A 30 2.663 -4.908 9.959 1.00 4.01 H new ATOM 0 HG3 LYS A 30 1.651 -5.771 8.818 1.00 4.01 H new ATOM 0 HD2 LYS A 30 2.595 -7.813 9.297 1.00 42.34 H new ATOM 0 HD3 LYS A 30 4.193 -7.140 9.555 1.00 42.34 H new ATOM 0 HE2 LYS A 30 3.206 -6.087 11.717 1.00 73.34 H new ATOM 0 HE3 LYS A 30 1.850 -7.172 11.482 1.00 73.34 H new ATOM 0 HZ1 LYS A 30 3.503 -8.140 12.941 1.00 21.43 H new ATOM 0 HZ2 LYS A 30 3.384 -9.053 11.514 1.00 21.43 H new ATOM 0 HZ3 LYS A 30 4.698 -8.001 11.742 1.00 21.43 H new ATOM 470 N LEU A 31 1.789 -2.863 7.338 1.00 23.42 N ATOM 471 CA LEU A 31 1.525 -1.431 7.243 1.00 24.41 C ATOM 472 C LEU A 31 2.824 -0.649 7.074 1.00 0.51 C ATOM 473 O LEU A 31 2.936 0.209 6.198 1.00 62.41 O ATOM 474 CB LEU A 31 0.783 -0.946 8.488 1.00 13.33 C ATOM 475 CG LEU A 31 -0.652 -0.463 8.269 1.00 61.32 C ATOM 476 CD1 LEU A 31 -0.674 0.742 7.341 1.00 64.52 C ATOM 477 CD2 LEU A 31 -1.512 -1.587 7.708 1.00 14.32 C ATOM 0 H LEU A 31 1.266 -3.340 8.072 1.00 23.42 H new ATOM 0 HA LEU A 31 0.901 -1.258 6.366 1.00 24.41 H new ATOM 0 HB2 LEU A 31 0.765 -1.758 9.215 1.00 13.33 H new ATOM 0 HB3 LEU A 31 1.355 -0.132 8.933 1.00 13.33 H new ATOM 0 HG LEU A 31 -1.065 -0.161 9.231 1.00 61.32 H new ATOM 0 HD11 LEU A 31 -1.703 1.072 7.197 1.00 64.52 H new ATOM 0 HD12 LEU A 31 -0.092 1.551 7.782 1.00 64.52 H new ATOM 0 HD13 LEU A 31 -0.243 0.468 6.378 1.00 64.52 H new ATOM 0 HD21 LEU A 31 -2.530 -1.226 7.558 1.00 14.32 H new ATOM 0 HD22 LEU A 31 -1.101 -1.919 6.755 1.00 14.32 H new ATOM 0 HD23 LEU A 31 -1.522 -2.422 8.409 1.00 14.32 H new ATOM 489 N LYS A 32 3.806 -0.952 7.917 1.00 14.13 N ATOM 490 CA LYS A 32 5.099 -0.281 7.860 1.00 14.33 C ATOM 491 C LYS A 32 5.482 0.040 6.420 1.00 42.15 C ATOM 492 O LYS A 32 5.942 1.142 6.119 1.00 71.10 O ATOM 493 CB LYS A 32 6.178 -1.154 8.505 1.00 12.50 C ATOM 494 CG LYS A 32 5.962 -1.391 9.990 1.00 13.30 C ATOM 495 CD LYS A 32 7.253 -1.224 10.775 1.00 53.43 C ATOM 496 CE LYS A 32 7.187 -1.941 12.114 1.00 14.20 C ATOM 497 NZ LYS A 32 7.485 -3.394 11.980 1.00 34.22 N ATOM 0 H LYS A 32 3.730 -1.659 8.648 1.00 14.13 H new ATOM 0 HA LYS A 32 5.020 0.655 8.413 1.00 14.33 H new ATOM 0 HB2 LYS A 32 6.209 -2.116 7.993 1.00 12.50 H new ATOM 0 HB3 LYS A 32 7.150 -0.683 8.358 1.00 12.50 H new ATOM 0 HG2 LYS A 32 5.214 -0.693 10.366 1.00 13.30 H new ATOM 0 HG3 LYS A 32 5.568 -2.395 10.146 1.00 13.30 H new ATOM 0 HD2 LYS A 32 8.087 -1.615 10.193 1.00 53.43 H new ATOM 0 HD3 LYS A 32 7.447 -0.164 10.938 1.00 53.43 H new ATOM 0 HE2 LYS A 32 7.897 -1.487 12.805 1.00 14.20 H new ATOM 0 HE3 LYS A 32 6.195 -1.812 12.547 1.00 14.20 H new ATOM 0 HZ1 LYS A 32 7.430 -3.847 12.914 1.00 34.22 H new ATOM 0 HZ2 LYS A 32 6.792 -3.833 11.341 1.00 34.22 H new ATOM 0 HZ3 LYS A 32 8.442 -3.518 11.591 1.00 34.22 H new ATOM 511 N HIS A 33 5.290 -0.930 5.531 1.00 64.23 N ATOM 512 CA HIS A 33 5.614 -0.750 4.120 1.00 52.11 C ATOM 513 C HIS A 33 4.646 0.229 3.461 1.00 21.21 C ATOM 514 O HIS A 33 5.132 1.129 2.775 1.00 2.42 O ATOM 515 CB HIS A 33 5.573 -2.093 3.390 1.00 72.14 C ATOM 516 CG HIS A 33 6.439 -3.143 4.017 1.00 15.31 C ATOM 517 ND1 HIS A 33 5.932 -4.253 4.656 1.00 21.33 N ATOM 518 CD2 HIS A 33 7.786 -3.245 4.101 1.00 60.45 C ATOM 519 CE1 HIS A 33 6.929 -4.994 5.106 1.00 42.52 C ATOM 520 NE2 HIS A 33 8.066 -4.404 4.781 1.00 35.30 N ATOM 0 H HIS A 33 4.912 -1.848 5.763 1.00 64.23 H new ATOM 0 HA HIS A 33 6.621 -0.339 4.054 1.00 52.11 H new ATOM 0 HB2 HIS A 33 4.544 -2.451 3.363 1.00 72.14 H new ATOM 0 HB3 HIS A 33 5.886 -1.945 2.357 1.00 72.14 H new ATOM 0 HD2 HIS A 33 8.507 -2.544 3.706 1.00 60.45 H new ATOM 0 HE1 HIS A 33 6.831 -5.923 5.647 1.00 42.52 H new ATOM 0 HE2 HIS A 33 8.999 -4.753 5.000 1.00 35.30 H new ATOM 528 N ILE A 34 3.338 0.084 3.644 1.00 10.12 N ATOM 529 CA ILE A 34 2.377 0.996 3.037 1.00 32.10 C ATOM 530 C ILE A 34 2.750 2.449 3.309 1.00 51.04 C ATOM 531 O ILE A 34 2.593 3.313 2.447 1.00 44.33 O ATOM 532 CB ILE A 34 0.950 0.737 3.556 1.00 12.43 C ATOM 533 CG1 ILE A 34 0.480 -0.660 3.146 1.00 1.00 C ATOM 534 CG2 ILE A 34 -0.005 1.799 3.032 1.00 60.14 C ATOM 535 CD1 ILE A 34 -0.841 -1.059 3.765 1.00 0.55 C ATOM 0 H ILE A 34 2.920 -0.656 4.208 1.00 10.12 H new ATOM 0 HA ILE A 34 2.403 0.813 1.963 1.00 32.10 H new ATOM 0 HB ILE A 34 0.960 0.791 4.645 1.00 12.43 H new ATOM 0 HG12 ILE A 34 0.390 -0.700 2.060 1.00 1.00 H new ATOM 0 HG13 ILE A 34 1.240 -1.388 3.430 1.00 1.00 H new ATOM 0 HG21 ILE A 34 -1.009 1.602 3.407 1.00 60.14 H new ATOM 0 HG22 ILE A 34 0.323 2.782 3.370 1.00 60.14 H new ATOM 0 HG23 ILE A 34 -0.014 1.775 1.942 1.00 60.14 H new ATOM 0 HD11 ILE A 34 -1.112 -2.060 3.430 1.00 0.55 H new ATOM 0 HD12 ILE A 34 -0.751 -1.052 4.851 1.00 0.55 H new ATOM 0 HD13 ILE A 34 -1.614 -0.353 3.460 1.00 0.55 H new ATOM 547 N VAL A 35 3.245 2.712 4.514 1.00 32.31 N ATOM 548 CA VAL A 35 3.643 4.060 4.901 1.00 53.53 C ATOM 549 C VAL A 35 5.004 4.420 4.316 1.00 51.34 C ATOM 550 O VAL A 35 5.180 5.494 3.741 1.00 32.31 O ATOM 551 CB VAL A 35 3.697 4.212 6.432 1.00 40.44 C ATOM 552 CG1 VAL A 35 4.190 5.601 6.814 1.00 73.42 C ATOM 553 CG2 VAL A 35 2.333 3.936 7.044 1.00 75.33 C ATOM 0 H VAL A 35 3.380 2.008 5.240 1.00 32.31 H new ATOM 0 HA VAL A 35 2.889 4.739 4.503 1.00 53.53 H new ATOM 0 HB VAL A 35 4.402 3.480 6.827 1.00 40.44 H new ATOM 0 HG11 VAL A 35 4.222 5.690 7.900 1.00 73.42 H new ATOM 0 HG12 VAL A 35 5.189 5.757 6.408 1.00 73.42 H new ATOM 0 HG13 VAL A 35 3.512 6.352 6.408 1.00 73.42 H new ATOM 0 HG21 VAL A 35 2.391 4.048 8.127 1.00 75.33 H new ATOM 0 HG22 VAL A 35 1.605 4.642 6.644 1.00 75.33 H new ATOM 0 HG23 VAL A 35 2.024 2.920 6.800 1.00 75.33 H new ATOM 563 N TRP A 36 5.964 3.514 4.465 1.00 31.05 N ATOM 564 CA TRP A 36 7.311 3.736 3.951 1.00 33.14 C ATOM 565 C TRP A 36 7.283 4.005 2.452 1.00 44.13 C ATOM 566 O TRP A 36 8.221 4.577 1.897 1.00 52.21 O ATOM 567 CB TRP A 36 8.197 2.525 4.249 1.00 2.42 C ATOM 568 CG TRP A 36 9.568 2.633 3.654 1.00 62.02 C ATOM 569 CD1 TRP A 36 10.700 3.081 4.274 1.00 13.02 C ATOM 570 CD2 TRP A 36 9.951 2.289 2.317 1.00 23.22 C ATOM 571 NE1 TRP A 36 11.762 3.035 3.405 1.00 3.31 N ATOM 572 CE2 TRP A 36 11.330 2.552 2.198 1.00 13.55 C ATOM 573 CE3 TRP A 36 9.265 1.782 1.212 1.00 60.23 C ATOM 574 CZ2 TRP A 36 12.031 2.326 1.017 1.00 61.01 C ATOM 575 CZ3 TRP A 36 9.962 1.559 0.039 1.00 32.44 C ATOM 576 CH2 TRP A 36 11.334 1.830 -0.051 1.00 32.45 C ATOM 0 H TRP A 36 5.835 2.619 4.937 1.00 31.05 H new ATOM 0 HA TRP A 36 7.725 4.612 4.450 1.00 33.14 H new ATOM 0 HB2 TRP A 36 8.285 2.405 5.329 1.00 2.42 H new ATOM 0 HB3 TRP A 36 7.713 1.626 3.867 1.00 2.42 H new ATOM 0 HD1 TRP A 36 10.752 3.421 5.298 1.00 13.02 H new ATOM 0 HE1 TRP A 36 12.718 3.315 3.623 1.00 3.31 H new ATOM 0 HE3 TRP A 36 8.208 1.568 1.272 1.00 60.23 H new ATOM 0 HZ2 TRP A 36 13.088 2.535 0.946 1.00 61.01 H new ATOM 0 HZ3 TRP A 36 9.440 1.169 -0.823 1.00 32.44 H new ATOM 0 HH2 TRP A 36 11.851 1.644 -0.981 1.00 32.45 H new ATOM 587 N ALA A 37 6.202 3.588 1.799 1.00 12.54 N ATOM 588 CA ALA A 37 6.052 3.787 0.363 1.00 2.55 C ATOM 589 C ALA A 37 5.398 5.131 0.060 1.00 40.12 C ATOM 590 O ALA A 37 5.919 5.922 -0.726 1.00 52.21 O ATOM 591 CB ALA A 37 5.240 2.654 -0.245 1.00 23.33 C ATOM 0 H ALA A 37 5.418 3.110 2.243 1.00 12.54 H new ATOM 0 HA ALA A 37 7.046 3.787 -0.084 1.00 2.55 H new ATOM 0 HB1 ALA A 37 5.136 2.816 -1.318 1.00 23.33 H new ATOM 0 HB2 ALA A 37 5.749 1.706 -0.069 1.00 23.33 H new ATOM 0 HB3 ALA A 37 4.252 2.627 0.215 1.00 23.33 H new ATOM 597 N SER A 38 4.254 5.382 0.688 1.00 25.12 N ATOM 598 CA SER A 38 3.527 6.629 0.482 1.00 22.34 C ATOM 599 C SER A 38 4.348 7.823 0.958 1.00 24.32 C ATOM 600 O SER A 38 4.266 8.913 0.392 1.00 60.04 O ATOM 601 CB SER A 38 2.187 6.591 1.220 1.00 72.42 C ATOM 602 OG SER A 38 1.738 7.898 1.529 1.00 32.15 O ATOM 0 H SER A 38 3.811 4.739 1.344 1.00 25.12 H new ATOM 0 HA SER A 38 3.343 6.740 -0.587 1.00 22.34 H new ATOM 0 HB2 SER A 38 1.444 6.084 0.605 1.00 72.42 H new ATOM 0 HB3 SER A 38 2.290 6.012 2.138 1.00 72.42 H new ATOM 0 HG SER A 38 1.342 7.904 2.425 1.00 32.15 H new ATOM 608 N ARG A 39 5.141 7.608 2.004 1.00 40.30 N ATOM 609 CA ARG A 39 5.977 8.667 2.558 1.00 21.54 C ATOM 610 C ARG A 39 7.157 8.966 1.638 1.00 60.41 C ATOM 611 O ARG A 39 7.904 9.916 1.862 1.00 42.34 O ATOM 612 CB ARG A 39 6.487 8.270 3.945 1.00 34.33 C ATOM 613 CG ARG A 39 7.288 9.361 4.634 1.00 23.03 C ATOM 614 CD ARG A 39 8.753 8.975 4.768 1.00 45.54 C ATOM 615 NE ARG A 39 9.510 9.958 5.540 1.00 31.42 N ATOM 616 CZ ARG A 39 9.866 11.147 5.070 1.00 71.01 C ATOM 617 NH1 ARG A 39 9.536 11.501 3.835 1.00 31.13 N ATOM 618 NH2 ARG A 39 10.553 11.985 5.835 1.00 40.44 N ATOM 0 H ARG A 39 5.222 6.712 2.484 1.00 40.30 H new ATOM 0 HA ARG A 39 5.369 9.567 2.645 1.00 21.54 H new ATOM 0 HB2 ARG A 39 5.637 8.004 4.573 1.00 34.33 H new ATOM 0 HB3 ARG A 39 7.107 7.378 3.853 1.00 34.33 H new ATOM 0 HG2 ARG A 39 7.205 10.288 4.067 1.00 23.03 H new ATOM 0 HG3 ARG A 39 6.869 9.553 5.622 1.00 23.03 H new ATOM 0 HD2 ARG A 39 8.828 8.000 5.249 1.00 45.54 H new ATOM 0 HD3 ARG A 39 9.194 8.876 3.776 1.00 45.54 H new ATOM 0 HE ARG A 39 9.780 9.717 6.494 1.00 31.42 H new ATOM 0 HH11 ARG A 39 9.008 10.859 3.244 1.00 31.13 H new ATOM 0 HH12 ARG A 39 9.811 12.415 3.476 1.00 31.13 H new ATOM 0 HH21 ARG A 39 10.808 11.716 6.785 1.00 40.44 H new ATOM 0 HH22 ARG A 39 10.826 12.899 5.473 1.00 40.44 H new ATOM 632 N GLU A 40 7.317 8.146 0.603 1.00 32.13 N ATOM 633 CA GLU A 40 8.406 8.322 -0.349 1.00 70.15 C ATOM 634 C GLU A 40 7.917 9.028 -1.611 1.00 1.40 C ATOM 635 O GLU A 40 8.649 9.807 -2.224 1.00 61.30 O ATOM 636 CB GLU A 40 9.018 6.968 -0.714 1.00 45.23 C ATOM 637 CG GLU A 40 10.411 7.072 -1.315 1.00 73.11 C ATOM 638 CD GLU A 40 11.484 6.519 -0.399 1.00 32.10 C ATOM 639 OE1 GLU A 40 11.269 6.509 0.831 1.00 53.45 O ATOM 640 OE2 GLU A 40 12.540 6.094 -0.913 1.00 22.00 O ATOM 0 H GLU A 40 6.706 7.354 0.403 1.00 32.13 H new ATOM 0 HA GLU A 40 9.169 8.942 0.122 1.00 70.15 H new ATOM 0 HB2 GLU A 40 9.063 6.346 0.180 1.00 45.23 H new ATOM 0 HB3 GLU A 40 8.363 6.461 -1.422 1.00 45.23 H new ATOM 0 HG2 GLU A 40 10.435 6.534 -2.263 1.00 73.11 H new ATOM 0 HG3 GLU A 40 10.630 8.117 -1.536 1.00 73.11 H new ATOM 647 N LEU A 41 6.675 8.750 -1.993 1.00 42.22 N ATOM 648 CA LEU A 41 6.088 9.357 -3.182 1.00 14.21 C ATOM 649 C LEU A 41 6.025 10.876 -3.044 1.00 70.14 C ATOM 650 O LEU A 41 6.296 11.606 -3.996 1.00 44.14 O ATOM 651 CB LEU A 41 4.684 8.799 -3.423 1.00 32.22 C ATOM 652 CG LEU A 41 4.615 7.403 -4.042 1.00 64.44 C ATOM 653 CD1 LEU A 41 3.169 6.971 -4.228 1.00 15.02 C ATOM 654 CD2 LEU A 41 5.358 7.372 -5.371 1.00 34.42 C ATOM 0 H LEU A 41 6.056 8.109 -1.497 1.00 42.22 H new ATOM 0 HA LEU A 41 6.722 9.113 -4.034 1.00 14.21 H new ATOM 0 HB2 LEU A 41 4.154 8.779 -2.471 1.00 32.22 H new ATOM 0 HB3 LEU A 41 4.147 9.490 -4.073 1.00 32.22 H new ATOM 0 HG LEU A 41 5.097 6.701 -3.362 1.00 64.44 H new ATOM 0 HD11 LEU A 41 3.141 5.975 -4.670 1.00 15.02 H new ATOM 0 HD12 LEU A 41 2.667 6.953 -3.261 1.00 15.02 H new ATOM 0 HD13 LEU A 41 2.661 7.675 -4.887 1.00 15.02 H new ATOM 0 HD21 LEU A 41 5.299 6.371 -5.798 1.00 34.42 H new ATOM 0 HD22 LEU A 41 4.905 8.087 -6.058 1.00 34.42 H new ATOM 0 HD23 LEU A 41 6.403 7.636 -5.210 1.00 34.42 H new ATOM 666 N GLU A 42 5.668 11.342 -1.851 1.00 45.44 N ATOM 667 CA GLU A 42 5.573 12.773 -1.590 1.00 1.41 C ATOM 668 C GLU A 42 6.855 13.490 -2.006 1.00 25.34 C ATOM 669 O GLU A 42 6.816 14.609 -2.516 1.00 3.31 O ATOM 670 CB GLU A 42 5.294 13.026 -0.107 1.00 50.12 C ATOM 671 CG GLU A 42 3.915 13.603 0.163 1.00 53.34 C ATOM 672 CD GLU A 42 3.969 15.032 0.669 1.00 35.42 C ATOM 673 OE1 GLU A 42 4.660 15.276 1.681 1.00 73.32 O ATOM 674 OE2 GLU A 42 3.321 15.905 0.055 1.00 40.13 O ATOM 0 H GLU A 42 5.440 10.750 -1.052 1.00 45.44 H new ATOM 0 HA GLU A 42 4.748 13.169 -2.181 1.00 1.41 H new ATOM 0 HB2 GLU A 42 5.400 12.089 0.439 1.00 50.12 H new ATOM 0 HB3 GLU A 42 6.048 13.709 0.284 1.00 50.12 H new ATOM 0 HG2 GLU A 42 3.325 13.568 -0.753 1.00 53.34 H new ATOM 0 HG3 GLU A 42 3.402 12.981 0.897 1.00 53.34 H new ATOM 681 N ARG A 43 7.990 12.835 -1.783 1.00 24.24 N ATOM 682 CA ARG A 43 9.284 13.409 -2.132 1.00 3.35 C ATOM 683 C ARG A 43 9.561 13.259 -3.625 1.00 61.43 C ATOM 684 O ARG A 43 10.318 14.034 -4.209 1.00 31.11 O ATOM 685 CB ARG A 43 10.399 12.739 -1.326 1.00 35.44 C ATOM 686 CG ARG A 43 11.268 13.719 -0.556 1.00 33.51 C ATOM 687 CD ARG A 43 12.506 13.040 0.009 1.00 51.12 C ATOM 688 NE ARG A 43 13.737 13.614 -0.527 1.00 64.40 N ATOM 689 CZ ARG A 43 14.230 14.785 -0.143 1.00 4.03 C ATOM 690 NH1 ARG A 43 13.601 15.503 0.777 1.00 4.11 N ATOM 691 NH2 ARG A 43 15.357 15.240 -0.677 1.00 2.20 N ATOM 0 H ARG A 43 8.040 11.907 -1.362 1.00 24.24 H new ATOM 0 HA ARG A 43 9.258 14.471 -1.889 1.00 3.35 H new ATOM 0 HB2 ARG A 43 9.955 12.032 -0.625 1.00 35.44 H new ATOM 0 HB3 ARG A 43 11.029 12.163 -2.003 1.00 35.44 H new ATOM 0 HG2 ARG A 43 11.567 14.536 -1.213 1.00 33.51 H new ATOM 0 HG3 ARG A 43 10.690 14.159 0.257 1.00 33.51 H new ATOM 0 HD2 ARG A 43 12.506 13.132 1.095 1.00 51.12 H new ATOM 0 HD3 ARG A 43 12.472 11.975 -0.221 1.00 51.12 H new ATOM 0 HE ARG A 43 14.246 13.086 -1.236 1.00 64.40 H new ATOM 0 HH11 ARG A 43 12.736 15.156 1.192 1.00 4.11 H new ATOM 0 HH12 ARG A 43 13.982 16.403 1.070 1.00 4.11 H new ATOM 0 HH21 ARG A 43 15.845 14.690 -1.383 1.00 2.20 H new ATOM 0 HH22 ARG A 43 15.735 16.140 -0.381 1.00 2.20 H new ATOM 705 N PHE A 44 8.941 12.255 -4.238 1.00 22.44 N ATOM 706 CA PHE A 44 9.122 12.000 -5.662 1.00 52.35 C ATOM 707 C PHE A 44 8.081 12.754 -6.485 1.00 51.44 C ATOM 708 O PHE A 44 7.696 12.318 -7.569 1.00 30.41 O ATOM 709 CB PHE A 44 9.027 10.501 -5.951 1.00 21.54 C ATOM 710 CG PHE A 44 10.318 9.766 -5.730 1.00 23.13 C ATOM 711 CD1 PHE A 44 11.394 9.956 -6.582 1.00 44.41 C ATOM 712 CD2 PHE A 44 10.456 8.884 -4.671 1.00 24.11 C ATOM 713 CE1 PHE A 44 12.583 9.281 -6.382 1.00 25.53 C ATOM 714 CE2 PHE A 44 11.643 8.205 -4.464 1.00 50.35 C ATOM 715 CZ PHE A 44 12.708 8.405 -5.321 1.00 22.11 C ATOM 0 H PHE A 44 8.309 11.605 -3.770 1.00 22.44 H new ATOM 0 HA PHE A 44 10.113 12.355 -5.946 1.00 52.35 H new ATOM 0 HB2 PHE A 44 8.256 10.065 -5.316 1.00 21.54 H new ATOM 0 HB3 PHE A 44 8.708 10.357 -6.983 1.00 21.54 H new ATOM 0 HD1 PHE A 44 11.302 10.640 -7.413 1.00 44.41 H new ATOM 0 HD2 PHE A 44 9.626 8.724 -3.998 1.00 24.11 H new ATOM 0 HE1 PHE A 44 13.414 9.438 -7.054 1.00 25.53 H new ATOM 0 HE2 PHE A 44 11.737 7.520 -3.634 1.00 50.35 H new ATOM 0 HZ PHE A 44 13.637 7.877 -5.162 1.00 22.11 H new ATOM 725 N ALA A 45 7.631 13.890 -5.961 1.00 14.04 N ATOM 726 CA ALA A 45 6.636 14.705 -6.647 1.00 52.40 C ATOM 727 C ALA A 45 5.375 13.900 -6.944 1.00 4.24 C ATOM 728 O ALA A 45 4.598 14.250 -7.832 1.00 5.11 O ATOM 729 CB ALA A 45 7.216 15.275 -7.933 1.00 62.53 C ATOM 0 H ALA A 45 7.940 14.266 -5.065 1.00 14.04 H new ATOM 0 HA ALA A 45 6.362 15.529 -5.988 1.00 52.40 H new ATOM 0 HB1 ALA A 45 6.462 15.881 -8.435 1.00 62.53 H new ATOM 0 HB2 ALA A 45 8.082 15.894 -7.699 1.00 62.53 H new ATOM 0 HB3 ALA A 45 7.520 14.459 -8.588 1.00 62.53 H new ATOM 735 N VAL A 46 5.178 12.821 -6.193 1.00 44.14 N ATOM 736 CA VAL A 46 4.011 11.966 -6.376 1.00 61.33 C ATOM 737 C VAL A 46 3.091 12.025 -5.162 1.00 64.33 C ATOM 738 O VAL A 46 3.536 11.864 -4.026 1.00 2.10 O ATOM 739 CB VAL A 46 4.421 10.503 -6.627 1.00 23.44 C ATOM 740 CG1 VAL A 46 3.198 9.599 -6.632 1.00 31.41 C ATOM 741 CG2 VAL A 46 5.190 10.380 -7.933 1.00 45.02 C ATOM 0 H VAL A 46 5.811 12.518 -5.453 1.00 44.14 H new ATOM 0 HA VAL A 46 3.478 12.340 -7.250 1.00 61.33 H new ATOM 0 HB VAL A 46 5.076 10.184 -5.816 1.00 23.44 H new ATOM 0 HG11 VAL A 46 3.507 8.569 -6.811 1.00 31.41 H new ATOM 0 HG12 VAL A 46 2.693 9.664 -5.668 1.00 31.41 H new ATOM 0 HG13 VAL A 46 2.515 9.915 -7.421 1.00 31.41 H new ATOM 0 HG21 VAL A 46 5.471 9.339 -8.093 1.00 45.02 H new ATOM 0 HG22 VAL A 46 4.562 10.717 -8.758 1.00 45.02 H new ATOM 0 HG23 VAL A 46 6.088 10.995 -7.886 1.00 45.02 H new ATOM 751 N ASN A 47 1.807 12.254 -5.411 1.00 11.32 N ATOM 752 CA ASN A 47 0.823 12.334 -4.337 1.00 11.52 C ATOM 753 C ASN A 47 0.576 10.960 -3.721 1.00 61.00 C ATOM 754 O ASN A 47 0.417 9.959 -4.420 1.00 61.03 O ATOM 755 CB ASN A 47 -0.492 12.913 -4.863 1.00 52.41 C ATOM 756 CG ASN A 47 -0.357 14.363 -5.288 1.00 64.13 C ATOM 757 OD1 ASN A 47 0.368 14.680 -6.231 1.00 24.40 O ATOM 758 ND2 ASN A 47 -1.057 15.251 -4.592 1.00 25.33 N ATOM 0 H ASN A 47 1.423 12.388 -6.346 1.00 11.32 H new ATOM 0 HA ASN A 47 1.219 12.993 -3.564 1.00 11.52 H new ATOM 0 HB2 ASN A 47 -0.834 12.319 -5.711 1.00 52.41 H new ATOM 0 HB3 ASN A 47 -1.256 12.834 -4.089 1.00 52.41 H new ATOM 0 HD21 ASN A 47 -1.007 16.241 -4.832 1.00 25.33 H new ATOM 0 HD22 ASN A 47 -1.645 14.943 -3.818 1.00 25.33 H new ATOM 765 N PRO A 48 0.544 10.909 -2.381 1.00 72.53 N ATOM 766 CA PRO A 48 0.317 9.664 -1.642 1.00 54.11 C ATOM 767 C PRO A 48 -1.112 9.152 -1.794 1.00 31.21 C ATOM 768 O PRO A 48 -1.453 8.077 -1.303 1.00 44.23 O ATOM 769 CB PRO A 48 0.591 10.058 -0.189 1.00 11.54 C ATOM 770 CG PRO A 48 0.328 11.524 -0.138 1.00 42.41 C ATOM 771 CD PRO A 48 0.727 12.062 -1.485 1.00 11.21 C ATOM 0 HA PRO A 48 0.950 8.854 -2.005 1.00 54.11 H new ATOM 0 HB2 PRO A 48 -0.059 9.515 0.498 1.00 11.54 H new ATOM 0 HB3 PRO A 48 1.618 9.830 0.096 1.00 11.54 H new ATOM 0 HG2 PRO A 48 -0.723 11.725 0.067 1.00 42.41 H new ATOM 0 HG3 PRO A 48 0.904 11.997 0.658 1.00 42.41 H new ATOM 0 HD2 PRO A 48 0.103 12.905 -1.782 1.00 11.21 H new ATOM 0 HD3 PRO A 48 1.759 12.413 -1.488 1.00 11.21 H new ATOM 779 N GLY A 49 -1.946 9.931 -2.478 1.00 44.10 N ATOM 780 CA GLY A 49 -3.328 9.539 -2.682 1.00 62.35 C ATOM 781 C GLY A 49 -3.502 8.630 -3.883 1.00 44.32 C ATOM 782 O GLY A 49 -4.429 7.822 -3.931 1.00 61.02 O ATOM 0 H GLY A 49 -1.689 10.826 -2.894 1.00 44.10 H new ATOM 0 HA2 GLY A 49 -3.694 9.031 -1.790 1.00 62.35 H new ATOM 0 HA3 GLY A 49 -3.940 10.431 -2.814 1.00 62.35 H new ATOM 786 N LEU A 50 -2.608 8.764 -4.858 1.00 42.12 N ATOM 787 CA LEU A 50 -2.667 7.948 -6.067 1.00 13.51 C ATOM 788 C LEU A 50 -2.598 6.464 -5.726 1.00 31.02 C ATOM 789 O LEU A 50 -3.184 5.629 -6.418 1.00 23.05 O ATOM 790 CB LEU A 50 -1.524 8.321 -7.012 1.00 54.05 C ATOM 791 CG LEU A 50 -1.363 9.810 -7.317 1.00 51.14 C ATOM 792 CD1 LEU A 50 -0.030 10.075 -7.999 1.00 2.32 C ATOM 793 CD2 LEU A 50 -2.513 10.305 -8.184 1.00 11.04 C ATOM 0 H LEU A 50 -1.835 9.429 -4.835 1.00 42.12 H new ATOM 0 HA LEU A 50 -3.618 8.143 -6.562 1.00 13.51 H new ATOM 0 HB2 LEU A 50 -0.591 7.956 -6.583 1.00 54.05 H new ATOM 0 HB3 LEU A 50 -1.671 7.792 -7.954 1.00 54.05 H new ATOM 0 HG LEU A 50 -1.382 10.357 -6.374 1.00 51.14 H new ATOM 0 HD11 LEU A 50 0.066 11.140 -8.208 1.00 2.32 H new ATOM 0 HD12 LEU A 50 0.783 9.759 -7.345 1.00 2.32 H new ATOM 0 HD13 LEU A 50 0.018 9.516 -8.934 1.00 2.32 H new ATOM 0 HD21 LEU A 50 -2.382 11.367 -8.391 1.00 11.04 H new ATOM 0 HD22 LEU A 50 -2.525 9.751 -9.123 1.00 11.04 H new ATOM 0 HD23 LEU A 50 -3.456 10.152 -7.660 1.00 11.04 H new ATOM 805 N LEU A 51 -1.881 6.140 -4.656 1.00 43.21 N ATOM 806 CA LEU A 51 -1.736 4.755 -4.221 1.00 53.54 C ATOM 807 C LEU A 51 -3.062 4.205 -3.707 1.00 42.03 C ATOM 808 O LEU A 51 -3.197 3.005 -3.471 1.00 20.32 O ATOM 809 CB LEU A 51 -0.669 4.651 -3.130 1.00 12.14 C ATOM 810 CG LEU A 51 0.768 4.938 -3.565 1.00 11.01 C ATOM 811 CD1 LEU A 51 1.723 4.779 -2.393 1.00 51.30 C ATOM 812 CD2 LEU A 51 1.170 4.023 -4.711 1.00 65.45 C ATOM 0 H LEU A 51 -1.390 6.818 -4.073 1.00 43.21 H new ATOM 0 HA LEU A 51 -1.426 4.160 -5.080 1.00 53.54 H new ATOM 0 HB2 LEU A 51 -0.929 5.342 -2.329 1.00 12.14 H new ATOM 0 HB3 LEU A 51 -0.706 3.646 -2.709 1.00 12.14 H new ATOM 0 HG LEU A 51 0.823 5.969 -3.913 1.00 11.01 H new ATOM 0 HD11 LEU A 51 2.741 4.987 -2.722 1.00 51.30 H new ATOM 0 HD12 LEU A 51 1.448 5.477 -1.602 1.00 51.30 H new ATOM 0 HD13 LEU A 51 1.666 3.759 -2.013 1.00 51.30 H new ATOM 0 HD21 LEU A 51 2.196 4.241 -5.008 1.00 65.45 H new ATOM 0 HD22 LEU A 51 1.098 2.984 -4.389 1.00 65.45 H new ATOM 0 HD23 LEU A 51 0.504 4.187 -5.558 1.00 65.45 H new ATOM 824 N GLU A 52 -4.039 5.091 -3.538 1.00 25.01 N ATOM 825 CA GLU A 52 -5.356 4.693 -3.053 1.00 25.20 C ATOM 826 C GLU A 52 -6.155 4.000 -4.154 1.00 4.22 C ATOM 827 O GLU A 52 -7.003 3.151 -3.881 1.00 71.20 O ATOM 828 CB GLU A 52 -6.124 5.911 -2.538 1.00 60.30 C ATOM 829 CG GLU A 52 -7.439 5.560 -1.863 1.00 54.23 C ATOM 830 CD GLU A 52 -7.949 6.672 -0.966 1.00 11.20 C ATOM 831 OE1 GLU A 52 -7.378 7.782 -1.014 1.00 60.23 O ATOM 832 OE2 GLU A 52 -8.918 6.432 -0.216 1.00 71.24 O ATOM 0 H GLU A 52 -3.944 6.088 -3.730 1.00 25.01 H new ATOM 0 HA GLU A 52 -5.216 3.989 -2.233 1.00 25.20 H new ATOM 0 HB2 GLU A 52 -5.496 6.454 -1.831 1.00 60.30 H new ATOM 0 HB3 GLU A 52 -6.322 6.585 -3.372 1.00 60.30 H new ATOM 0 HG2 GLU A 52 -8.187 5.341 -2.625 1.00 54.23 H new ATOM 0 HG3 GLU A 52 -7.310 4.653 -1.273 1.00 54.23 H new ATOM 839 N THR A 53 -5.877 4.371 -5.400 1.00 62.12 N ATOM 840 CA THR A 53 -6.570 3.789 -6.542 1.00 61.33 C ATOM 841 C THR A 53 -5.599 3.047 -7.455 1.00 2.50 C ATOM 842 O THR A 53 -4.467 3.487 -7.659 1.00 61.41 O ATOM 843 CB THR A 53 -7.306 4.866 -7.361 1.00 45.21 C ATOM 844 OG1 THR A 53 -6.434 5.399 -8.364 1.00 51.52 O ATOM 845 CG2 THR A 53 -7.799 5.988 -6.461 1.00 4.14 C ATOM 0 H THR A 53 -5.177 5.072 -5.643 1.00 62.12 H new ATOM 0 HA THR A 53 -7.300 3.084 -6.143 1.00 61.33 H new ATOM 0 HB THR A 53 -8.168 4.401 -7.839 1.00 45.21 H new ATOM 0 HG1 THR A 53 -6.910 6.082 -8.882 1.00 51.52 H new ATOM 0 HG21 THR A 53 -8.315 6.736 -7.062 1.00 4.14 H new ATOM 0 HG22 THR A 53 -8.485 5.583 -5.717 1.00 4.14 H new ATOM 0 HG23 THR A 53 -6.950 6.450 -5.957 1.00 4.14 H new ATOM 853 N SER A 54 -6.049 1.923 -8.001 1.00 62.40 N ATOM 854 CA SER A 54 -5.218 1.119 -8.890 1.00 10.12 C ATOM 855 C SER A 54 -4.722 1.951 -10.069 1.00 31.31 C ATOM 856 O SER A 54 -3.605 1.761 -10.548 1.00 4.22 O ATOM 857 CB SER A 54 -6.003 -0.092 -9.400 1.00 2.13 C ATOM 858 OG SER A 54 -5.212 -1.267 -9.356 1.00 22.24 O ATOM 0 H SER A 54 -6.984 1.548 -7.844 1.00 62.40 H new ATOM 0 HA SER A 54 -4.354 0.771 -8.324 1.00 10.12 H new ATOM 0 HB2 SER A 54 -6.899 -0.230 -8.795 1.00 2.13 H new ATOM 0 HB3 SER A 54 -6.334 0.089 -10.423 1.00 2.13 H new ATOM 0 HG SER A 54 -5.736 -2.027 -9.685 1.00 22.24 H new ATOM 864 N GLU A 55 -5.563 2.871 -10.532 1.00 61.12 N ATOM 865 CA GLU A 55 -5.210 3.730 -11.656 1.00 13.24 C ATOM 866 C GLU A 55 -4.006 4.603 -11.316 1.00 40.50 C ATOM 867 O GLU A 55 -3.135 4.833 -12.154 1.00 72.11 O ATOM 868 CB GLU A 55 -6.399 4.611 -12.045 1.00 3.32 C ATOM 869 CG GLU A 55 -6.813 4.467 -13.500 1.00 2.13 C ATOM 870 CD GLU A 55 -8.020 3.566 -13.677 1.00 1.34 C ATOM 871 OE1 GLU A 55 -8.092 2.531 -12.982 1.00 32.14 O ATOM 872 OE2 GLU A 55 -8.890 3.896 -14.509 1.00 33.23 O ATOM 0 H GLU A 55 -6.492 3.040 -10.147 1.00 61.12 H new ATOM 0 HA GLU A 55 -4.948 3.092 -12.500 1.00 13.24 H new ATOM 0 HB2 GLU A 55 -7.248 4.363 -11.408 1.00 3.32 H new ATOM 0 HB3 GLU A 55 -6.148 5.653 -11.849 1.00 3.32 H new ATOM 0 HG2 GLU A 55 -7.037 5.452 -13.909 1.00 2.13 H new ATOM 0 HG3 GLU A 55 -5.977 4.066 -14.074 1.00 2.13 H new ATOM 879 N GLY A 56 -3.964 5.088 -10.078 1.00 3.53 N ATOM 880 CA GLY A 56 -2.863 5.930 -9.648 1.00 53.35 C ATOM 881 C GLY A 56 -1.520 5.239 -9.772 1.00 40.01 C ATOM 882 O GLY A 56 -0.558 5.820 -10.276 1.00 50.55 O ATOM 0 H GLY A 56 -4.673 4.913 -9.366 1.00 3.53 H new ATOM 0 HA2 GLY A 56 -2.854 6.843 -10.243 1.00 53.35 H new ATOM 0 HA3 GLY A 56 -3.021 6.227 -8.611 1.00 53.35 H new ATOM 886 N CYS A 57 -1.453 3.995 -9.311 1.00 62.23 N ATOM 887 CA CYS A 57 -0.217 3.223 -9.371 1.00 23.14 C ATOM 888 C CYS A 57 0.266 3.079 -10.811 1.00 1.11 C ATOM 889 O CYS A 57 1.433 3.328 -11.113 1.00 1.14 O ATOM 890 CB CYS A 57 -0.423 1.842 -8.749 1.00 22.40 C ATOM 891 SG CYS A 57 0.041 1.740 -7.004 1.00 44.41 S ATOM 0 H CYS A 57 -2.240 3.500 -8.892 1.00 62.23 H new ATOM 0 HA CYS A 57 0.544 3.759 -8.804 1.00 23.14 H new ATOM 0 HB2 CYS A 57 -1.471 1.562 -8.852 1.00 22.40 H new ATOM 0 HB3 CYS A 57 0.159 1.112 -9.312 1.00 22.40 H new ATOM 0 HG CYS A 57 -0.172 0.534 -6.568 1.00 44.41 H new ATOM 897 N ARG A 58 -0.639 2.674 -11.695 1.00 53.10 N ATOM 898 CA ARG A 58 -0.306 2.494 -13.102 1.00 53.35 C ATOM 899 C ARG A 58 0.443 3.708 -13.643 1.00 41.31 C ATOM 900 O ARG A 58 1.333 3.577 -14.483 1.00 75.51 O ATOM 901 CB ARG A 58 -1.575 2.257 -13.924 1.00 1.31 C ATOM 902 CG ARG A 58 -1.489 1.049 -14.843 1.00 3.20 C ATOM 903 CD ARG A 58 -1.714 1.439 -16.296 1.00 23.34 C ATOM 904 NE ARG A 58 -3.134 1.523 -16.625 1.00 43.34 N ATOM 905 CZ ARG A 58 -3.929 0.464 -16.728 1.00 52.15 C ATOM 906 NH1 ARG A 58 -3.445 -0.754 -16.528 1.00 33.13 N ATOM 907 NH2 ARG A 58 -5.211 0.622 -17.033 1.00 2.22 N ATOM 0 H ARG A 58 -1.609 2.464 -11.461 1.00 53.10 H new ATOM 0 HA ARG A 58 0.341 1.621 -13.186 1.00 53.35 H new ATOM 0 HB2 ARG A 58 -2.418 2.127 -13.246 1.00 1.31 H new ATOM 0 HB3 ARG A 58 -1.781 3.144 -14.523 1.00 1.31 H new ATOM 0 HG2 ARG A 58 -0.511 0.579 -14.738 1.00 3.20 H new ATOM 0 HG3 ARG A 58 -2.232 0.309 -14.544 1.00 3.20 H new ATOM 0 HD2 ARG A 58 -1.239 2.400 -16.491 1.00 23.34 H new ATOM 0 HD3 ARG A 58 -1.234 0.708 -16.946 1.00 23.34 H new ATOM 0 HE ARG A 58 -3.538 2.446 -16.785 1.00 43.34 H new ATOM 0 HH11 ARG A 58 -2.460 -0.879 -16.294 1.00 33.13 H new ATOM 0 HH12 ARG A 58 -4.058 -1.566 -16.608 1.00 33.13 H new ATOM 0 HH21 ARG A 58 -5.587 1.557 -17.189 1.00 2.22 H new ATOM 0 HH22 ARG A 58 -5.821 -0.192 -17.112 1.00 2.22 H new ATOM 921 N GLN A 59 0.077 4.889 -13.155 1.00 53.43 N ATOM 922 CA GLN A 59 0.713 6.127 -13.591 1.00 63.45 C ATOM 923 C GLN A 59 2.048 6.331 -12.882 1.00 54.20 C ATOM 924 O GLN A 59 3.025 6.766 -13.491 1.00 61.21 O ATOM 925 CB GLN A 59 -0.207 7.319 -13.327 1.00 14.10 C ATOM 926 CG GLN A 59 -0.407 8.215 -14.539 1.00 62.45 C ATOM 927 CD GLN A 59 -1.537 7.743 -15.433 1.00 64.13 C ATOM 928 OE1 GLN A 59 -2.623 7.411 -14.958 1.00 20.32 O ATOM 929 NE2 GLN A 59 -1.286 7.711 -16.737 1.00 21.22 N ATOM 0 H GLN A 59 -0.657 5.015 -12.458 1.00 53.43 H new ATOM 0 HA GLN A 59 0.899 6.053 -14.662 1.00 63.45 H new ATOM 0 HB2 GLN A 59 -1.177 6.951 -12.994 1.00 14.10 H new ATOM 0 HB3 GLN A 59 0.206 7.912 -12.511 1.00 14.10 H new ATOM 0 HG2 GLN A 59 -0.614 9.232 -14.204 1.00 62.45 H new ATOM 0 HG3 GLN A 59 0.517 8.251 -15.116 1.00 62.45 H new ATOM 0 HE21 GLN A 59 -0.371 7.995 -17.087 1.00 21.22 H new ATOM 0 HE22 GLN A 59 -2.008 7.402 -17.388 1.00 21.22 H new ATOM 938 N ILE A 60 2.080 6.016 -11.592 1.00 14.44 N ATOM 939 CA ILE A 60 3.294 6.165 -10.799 1.00 42.43 C ATOM 940 C ILE A 60 4.389 5.225 -11.290 1.00 22.34 C ATOM 941 O ILE A 60 5.484 5.662 -11.649 1.00 62.53 O ATOM 942 CB ILE A 60 3.030 5.893 -9.307 1.00 73.10 C ATOM 943 CG1 ILE A 60 1.975 6.862 -8.768 1.00 31.20 C ATOM 944 CG2 ILE A 60 4.320 6.011 -8.511 1.00 4.24 C ATOM 945 CD1 ILE A 60 1.263 6.354 -7.534 1.00 71.54 C ATOM 0 H ILE A 60 1.279 5.656 -11.073 1.00 14.44 H new ATOM 0 HA ILE A 60 3.624 7.197 -10.918 1.00 42.43 H new ATOM 0 HB ILE A 60 2.651 4.877 -9.200 1.00 73.10 H new ATOM 0 HG12 ILE A 60 2.452 7.814 -8.536 1.00 31.20 H new ATOM 0 HG13 ILE A 60 1.239 7.056 -9.548 1.00 31.20 H new ATOM 0 HG21 ILE A 60 4.117 5.816 -7.458 1.00 4.24 H new ATOM 0 HG22 ILE A 60 5.044 5.285 -8.881 1.00 4.24 H new ATOM 0 HG23 ILE A 60 4.725 7.017 -8.622 1.00 4.24 H new ATOM 0 HD11 ILE A 60 0.530 7.092 -7.207 1.00 71.54 H new ATOM 0 HD12 ILE A 60 0.757 5.417 -7.766 1.00 71.54 H new ATOM 0 HD13 ILE A 60 1.989 6.187 -6.738 1.00 71.54 H new ATOM 957 N LEU A 61 4.087 3.931 -11.305 1.00 1.01 N ATOM 958 CA LEU A 61 5.045 2.927 -11.754 1.00 64.50 C ATOM 959 C LEU A 61 5.599 3.280 -13.131 1.00 60.10 C ATOM 960 O LEU A 61 6.700 2.867 -13.492 1.00 65.31 O ATOM 961 CB LEU A 61 4.386 1.547 -11.795 1.00 64.33 C ATOM 962 CG LEU A 61 4.024 0.936 -10.440 1.00 70.25 C ATOM 963 CD1 LEU A 61 2.802 0.040 -10.570 1.00 23.13 C ATOM 964 CD2 LEU A 61 5.202 0.155 -9.875 1.00 50.23 C ATOM 0 H LEU A 61 3.186 3.553 -11.011 1.00 1.01 H new ATOM 0 HA LEU A 61 5.872 2.907 -11.044 1.00 64.50 H new ATOM 0 HB2 LEU A 61 3.478 1.618 -12.394 1.00 64.33 H new ATOM 0 HB3 LEU A 61 5.057 0.861 -12.313 1.00 64.33 H new ATOM 0 HG LEU A 61 3.786 1.745 -9.749 1.00 70.25 H new ATOM 0 HD11 LEU A 61 2.558 -0.386 -9.597 1.00 23.13 H new ATOM 0 HD12 LEU A 61 1.957 0.627 -10.931 1.00 23.13 H new ATOM 0 HD13 LEU A 61 3.013 -0.763 -11.276 1.00 23.13 H new ATOM 0 HD21 LEU A 61 4.926 -0.272 -8.911 1.00 50.23 H new ATOM 0 HD22 LEU A 61 5.471 -0.646 -10.563 1.00 50.23 H new ATOM 0 HD23 LEU A 61 6.053 0.823 -9.745 1.00 50.23 H new ATOM 976 N GLY A 62 4.828 4.048 -13.894 1.00 3.02 N ATOM 977 CA GLY A 62 5.259 4.445 -15.222 1.00 1.13 C ATOM 978 C GLY A 62 6.437 5.399 -15.188 1.00 34.31 C ATOM 979 O GLY A 62 7.316 5.338 -16.046 1.00 3.22 O ATOM 0 H GLY A 62 3.913 4.403 -13.617 1.00 3.02 H new ATOM 0 HA2 GLY A 62 5.531 3.557 -15.793 1.00 1.13 H new ATOM 0 HA3 GLY A 62 4.427 4.918 -15.744 1.00 1.13 H new ATOM 983 N GLN A 63 6.453 6.282 -14.194 1.00 73.31 N ATOM 984 CA GLN A 63 7.530 7.253 -14.054 1.00 10.51 C ATOM 985 C GLN A 63 8.682 6.676 -13.238 1.00 11.30 C ATOM 986 O GLN A 63 9.733 7.303 -13.097 1.00 0.11 O ATOM 987 CB GLN A 63 7.010 8.531 -13.392 1.00 3.13 C ATOM 988 CG GLN A 63 6.718 9.651 -14.377 1.00 32.21 C ATOM 989 CD GLN A 63 7.972 10.372 -14.831 1.00 22.50 C ATOM 990 OE1 GLN A 63 8.722 9.869 -15.669 1.00 55.33 O ATOM 991 NE2 GLN A 63 8.207 11.556 -14.279 1.00 42.31 N ATOM 0 H GLN A 63 5.732 6.344 -13.475 1.00 73.31 H new ATOM 0 HA GLN A 63 7.900 7.493 -15.051 1.00 10.51 H new ATOM 0 HB2 GLN A 63 6.100 8.299 -12.838 1.00 3.13 H new ATOM 0 HB3 GLN A 63 7.745 8.879 -12.666 1.00 3.13 H new ATOM 0 HG2 GLN A 63 6.205 9.240 -15.247 1.00 32.21 H new ATOM 0 HG3 GLN A 63 6.039 10.368 -13.915 1.00 32.21 H new ATOM 0 HE21 GLN A 63 7.559 11.935 -13.589 1.00 42.31 H new ATOM 0 HE22 GLN A 63 9.036 12.087 -14.545 1.00 42.31 H new ATOM 1000 N LEU A 64 8.478 5.478 -12.701 1.00 50.15 N ATOM 1001 CA LEU A 64 9.499 4.815 -11.898 1.00 62.04 C ATOM 1002 C LEU A 64 10.154 3.680 -12.681 1.00 24.24 C ATOM 1003 O LEU A 64 11.339 3.398 -12.504 1.00 65.52 O ATOM 1004 CB LEU A 64 8.887 4.272 -10.606 1.00 62.43 C ATOM 1005 CG LEU A 64 9.001 5.176 -9.378 1.00 73.21 C ATOM 1006 CD1 LEU A 64 8.317 4.536 -8.180 1.00 10.40 C ATOM 1007 CD2 LEU A 64 10.461 5.471 -9.068 1.00 13.04 C ATOM 0 H LEU A 64 7.614 4.946 -12.807 1.00 50.15 H new ATOM 0 HA LEU A 64 10.265 5.550 -11.649 1.00 62.04 H new ATOM 0 HB2 LEU A 64 7.831 4.068 -10.785 1.00 62.43 H new ATOM 0 HB3 LEU A 64 9.362 3.318 -10.376 1.00 62.43 H new ATOM 0 HG LEU A 64 8.499 6.119 -9.595 1.00 73.21 H new ATOM 0 HD11 LEU A 64 8.408 5.193 -7.315 1.00 10.40 H new ATOM 0 HD12 LEU A 64 7.263 4.377 -8.405 1.00 10.40 H new ATOM 0 HD13 LEU A 64 8.790 3.579 -7.960 1.00 10.40 H new ATOM 0 HD21 LEU A 64 10.524 6.116 -8.191 1.00 13.04 H new ATOM 0 HD22 LEU A 64 10.987 4.537 -8.870 1.00 13.04 H new ATOM 0 HD23 LEU A 64 10.920 5.972 -9.920 1.00 13.04 H new ATOM 1019 N GLN A 65 9.376 3.037 -13.544 1.00 70.33 N ATOM 1020 CA GLN A 65 9.882 1.934 -14.353 1.00 60.14 C ATOM 1021 C GLN A 65 11.146 2.344 -15.102 1.00 71.45 C ATOM 1022 O GLN A 65 12.216 1.760 -14.930 1.00 15.22 O ATOM 1023 CB GLN A 65 8.814 1.470 -15.346 1.00 1.25 C ATOM 1024 CG GLN A 65 9.387 0.894 -16.631 1.00 2.42 C ATOM 1025 CD GLN A 65 8.355 0.136 -17.441 1.00 43.21 C ATOM 1026 OE1 GLN A 65 7.353 0.850 -17.940 1.00 65.11 O flip ATOM 1027 NE2 GLN A 65 8.457 -1.078 -17.619 1.00 12.15 N flip ATOM 0 H GLN A 65 8.393 3.260 -13.702 1.00 70.33 H new ATOM 0 HA GLN A 65 10.129 1.109 -13.684 1.00 60.14 H new ATOM 0 HB2 GLN A 65 8.188 0.717 -14.868 1.00 1.25 H new ATOM 0 HB3 GLN A 65 8.168 2.313 -15.592 1.00 1.25 H new ATOM 0 HG2 GLN A 65 9.796 1.703 -17.236 1.00 2.42 H new ATOM 0 HG3 GLN A 65 10.214 0.227 -16.389 1.00 2.42 H new ATOM 0 HE21 GLN A 65 9.244 -1.588 -17.217 1.00 12.15 H new ATOM 0 HE22 GLN A 65 7.755 -1.574 -18.168 1.00 12.15 H new ATOM 1036 N PRO A 66 11.022 3.372 -15.954 1.00 11.30 N ATOM 1037 CA PRO A 66 12.145 3.883 -16.747 1.00 34.14 C ATOM 1038 C PRO A 66 13.184 4.593 -15.888 1.00 2.23 C ATOM 1039 O PRO A 66 14.252 4.967 -16.371 1.00 45.41 O ATOM 1040 CB PRO A 66 11.479 4.872 -17.708 1.00 3.34 C ATOM 1041 CG PRO A 66 10.238 5.304 -17.007 1.00 1.33 C ATOM 1042 CD PRO A 66 9.777 4.115 -16.209 1.00 54.31 C ATOM 0 HA PRO A 66 12.689 3.082 -17.247 1.00 34.14 H new ATOM 0 HB2 PRO A 66 12.131 5.720 -17.918 1.00 3.34 H new ATOM 0 HB3 PRO A 66 11.250 4.402 -18.664 1.00 3.34 H new ATOM 0 HG2 PRO A 66 10.434 6.157 -16.358 1.00 1.33 H new ATOM 0 HG3 PRO A 66 9.475 5.615 -17.721 1.00 1.33 H new ATOM 0 HD2 PRO A 66 9.292 4.418 -15.281 1.00 54.31 H new ATOM 0 HD3 PRO A 66 9.057 3.514 -16.764 1.00 54.31 H new ATOM 1050 N SER A 67 12.865 4.776 -14.610 1.00 45.12 N ATOM 1051 CA SER A 67 13.771 5.445 -13.684 1.00 5.54 C ATOM 1052 C SER A 67 14.561 4.427 -12.866 1.00 10.43 C ATOM 1053 O SER A 67 15.545 4.770 -12.208 1.00 52.22 O ATOM 1054 CB SER A 67 12.990 6.370 -12.750 1.00 52.33 C ATOM 1055 OG SER A 67 12.359 7.412 -13.476 1.00 23.35 O ATOM 0 H SER A 67 11.986 4.470 -14.193 1.00 45.12 H new ATOM 0 HA SER A 67 14.473 6.040 -14.268 1.00 5.54 H new ATOM 0 HB2 SER A 67 12.240 5.795 -12.207 1.00 52.33 H new ATOM 0 HB3 SER A 67 13.664 6.796 -12.007 1.00 52.33 H new ATOM 0 HG SER A 67 11.397 7.233 -13.536 1.00 23.35 H new ATOM 1061 N LEU A 68 14.122 3.174 -12.911 1.00 44.13 N ATOM 1062 CA LEU A 68 14.787 2.104 -12.174 1.00 71.11 C ATOM 1063 C LEU A 68 16.277 2.066 -12.495 1.00 65.14 C ATOM 1064 O LEU A 68 17.074 1.539 -11.719 1.00 44.24 O ATOM 1065 CB LEU A 68 14.146 0.756 -12.508 1.00 25.44 C ATOM 1066 CG LEU A 68 12.798 0.470 -11.846 1.00 61.10 C ATOM 1067 CD1 LEU A 68 12.051 -0.617 -12.603 1.00 62.13 C ATOM 1068 CD2 LEU A 68 12.993 0.071 -10.390 1.00 61.40 C ATOM 0 H LEU A 68 13.309 2.874 -13.449 1.00 44.13 H new ATOM 0 HA LEU A 68 14.670 2.302 -11.108 1.00 71.11 H new ATOM 0 HB2 LEU A 68 14.017 0.696 -13.589 1.00 25.44 H new ATOM 0 HB3 LEU A 68 14.842 -0.034 -12.225 1.00 25.44 H new ATOM 0 HG LEU A 68 12.200 1.381 -11.876 1.00 61.10 H new ATOM 0 HD11 LEU A 68 11.094 -0.807 -12.117 1.00 62.13 H new ATOM 0 HD12 LEU A 68 11.879 -0.293 -13.629 1.00 62.13 H new ATOM 0 HD13 LEU A 68 12.644 -1.532 -12.606 1.00 62.13 H new ATOM 0 HD21 LEU A 68 12.023 -0.129 -9.934 1.00 61.40 H new ATOM 0 HD22 LEU A 68 13.610 -0.826 -10.338 1.00 61.40 H new ATOM 0 HD23 LEU A 68 13.486 0.882 -9.853 1.00 61.40 H new ATOM 1080 N GLN A 69 16.645 2.630 -13.642 1.00 24.13 N ATOM 1081 CA GLN A 69 18.040 2.661 -14.063 1.00 23.43 C ATOM 1082 C GLN A 69 18.739 3.911 -13.540 1.00 2.21 C ATOM 1083 O GLN A 69 19.884 3.854 -13.091 1.00 24.00 O ATOM 1084 CB GLN A 69 18.135 2.610 -15.589 1.00 61.14 C ATOM 1085 CG GLN A 69 19.505 2.191 -16.100 1.00 52.23 C ATOM 1086 CD GLN A 69 19.463 1.675 -17.524 1.00 63.34 C ATOM 1087 OE1 GLN A 69 19.620 0.478 -17.769 1.00 32.44 O ATOM 1088 NE2 GLN A 69 19.250 2.577 -18.475 1.00 62.24 N ATOM 0 H GLN A 69 15.997 3.071 -14.295 1.00 24.13 H new ATOM 0 HA GLN A 69 18.539 1.787 -13.645 1.00 23.43 H new ATOM 0 HB2 GLN A 69 17.387 1.914 -15.968 1.00 61.14 H new ATOM 0 HB3 GLN A 69 17.891 3.592 -15.993 1.00 61.14 H new ATOM 0 HG2 GLN A 69 20.185 3.041 -16.046 1.00 52.23 H new ATOM 0 HG3 GLN A 69 19.910 1.417 -15.449 1.00 52.23 H new ATOM 0 HE21 GLN A 69 19.125 3.559 -18.228 1.00 62.24 H new ATOM 0 HE22 GLN A 69 19.211 2.288 -19.452 1.00 62.24 H new ATOM 1097 N THR A 70 18.043 5.042 -13.601 1.00 34.21 N ATOM 1098 CA THR A 70 18.597 6.307 -13.135 1.00 35.31 C ATOM 1099 C THR A 70 18.652 6.355 -11.612 1.00 42.43 C ATOM 1100 O THR A 70 19.709 6.589 -11.028 1.00 20.22 O ATOM 1101 CB THR A 70 17.772 7.504 -13.645 1.00 21.20 C ATOM 1102 OG1 THR A 70 16.850 7.069 -14.651 1.00 13.53 O ATOM 1103 CG2 THR A 70 18.680 8.584 -14.214 1.00 75.13 C ATOM 0 H THR A 70 17.094 5.108 -13.969 1.00 34.21 H new ATOM 0 HA THR A 70 19.609 6.375 -13.535 1.00 35.31 H new ATOM 0 HB THR A 70 17.220 7.923 -12.803 1.00 21.20 H new ATOM 0 HG1 THR A 70 16.328 7.835 -14.969 1.00 13.53 H new ATOM 0 HG21 THR A 70 18.075 9.419 -14.568 1.00 75.13 H new ATOM 0 HG22 THR A 70 19.361 8.933 -13.438 1.00 75.13 H new ATOM 0 HG23 THR A 70 19.255 8.175 -15.045 1.00 75.13 H new ATOM 1111 N GLY A 71 17.507 6.132 -10.975 1.00 50.04 N ATOM 1112 CA GLY A 71 17.448 6.154 -9.525 1.00 30.31 C ATOM 1113 C GLY A 71 18.399 5.157 -8.892 1.00 15.13 C ATOM 1114 O GLY A 71 18.901 4.255 -9.562 1.00 71.03 O ATOM 0 H GLY A 71 16.619 5.936 -11.437 1.00 50.04 H new ATOM 0 HA2 GLY A 71 17.687 7.156 -9.170 1.00 30.31 H new ATOM 0 HA3 GLY A 71 16.430 5.936 -9.202 1.00 30.31 H new ATOM 1118 N SER A 72 18.646 5.319 -7.596 1.00 2.22 N ATOM 1119 CA SER A 72 19.547 4.430 -6.873 1.00 22.35 C ATOM 1120 C SER A 72 18.793 3.220 -6.327 1.00 42.21 C ATOM 1121 O SER A 72 17.661 2.952 -6.724 1.00 75.54 O ATOM 1122 CB SER A 72 20.227 5.180 -5.726 1.00 13.33 C ATOM 1123 OG SER A 72 19.317 5.428 -4.668 1.00 54.30 O ATOM 0 H SER A 72 18.235 6.058 -7.025 1.00 2.22 H new ATOM 0 HA SER A 72 20.308 4.079 -7.570 1.00 22.35 H new ATOM 0 HB2 SER A 72 21.070 4.597 -5.355 1.00 13.33 H new ATOM 0 HB3 SER A 72 20.629 6.124 -6.093 1.00 13.33 H new ATOM 0 HG SER A 72 19.776 5.907 -3.947 1.00 54.30 H new ATOM 1129 N GLU A 73 19.433 2.494 -5.417 1.00 12.15 N ATOM 1130 CA GLU A 73 18.824 1.312 -4.817 1.00 63.44 C ATOM 1131 C GLU A 73 17.461 1.647 -4.217 1.00 25.50 C ATOM 1132 O GLU A 73 16.511 0.876 -4.342 1.00 45.32 O ATOM 1133 CB GLU A 73 19.740 0.730 -3.738 1.00 42.30 C ATOM 1134 CG GLU A 73 20.666 -0.360 -4.250 1.00 23.41 C ATOM 1135 CD GLU A 73 21.928 -0.490 -3.420 1.00 4.12 C ATOM 1136 OE1 GLU A 73 22.744 0.456 -3.427 1.00 31.22 O ATOM 1137 OE2 GLU A 73 22.101 -1.538 -2.763 1.00 30.23 O ATOM 0 H GLU A 73 20.372 2.703 -5.079 1.00 12.15 H new ATOM 0 HA GLU A 73 18.683 0.569 -5.602 1.00 63.44 H new ATOM 0 HB2 GLU A 73 20.340 1.533 -3.310 1.00 42.30 H new ATOM 0 HB3 GLU A 73 19.127 0.326 -2.932 1.00 42.30 H new ATOM 0 HG2 GLU A 73 20.135 -1.312 -4.249 1.00 23.41 H new ATOM 0 HG3 GLU A 73 20.936 -0.146 -5.284 1.00 23.41 H new ATOM 1144 N GLU A 74 17.377 2.802 -3.564 1.00 24.11 N ATOM 1145 CA GLU A 74 16.132 3.238 -2.943 1.00 2.11 C ATOM 1146 C GLU A 74 14.980 3.193 -3.944 1.00 11.31 C ATOM 1147 O GLU A 74 13.858 2.822 -3.598 1.00 54.13 O ATOM 1148 CB GLU A 74 16.283 4.655 -2.387 1.00 3.25 C ATOM 1149 CG GLU A 74 17.294 4.760 -1.257 1.00 1.20 C ATOM 1150 CD GLU A 74 16.663 5.189 0.054 1.00 75.10 C ATOM 1151 OE1 GLU A 74 16.144 4.311 0.776 1.00 43.23 O ATOM 1152 OE2 GLU A 74 16.687 6.400 0.357 1.00 52.01 O ATOM 0 H GLU A 74 18.155 3.452 -3.452 1.00 24.11 H new ATOM 0 HA GLU A 74 15.906 2.556 -2.124 1.00 2.11 H new ATOM 0 HB2 GLU A 74 16.582 5.323 -3.194 1.00 3.25 H new ATOM 0 HB3 GLU A 74 15.313 5.001 -2.029 1.00 3.25 H new ATOM 0 HG2 GLU A 74 17.783 3.795 -1.122 1.00 1.20 H new ATOM 0 HG3 GLU A 74 18.069 5.475 -1.534 1.00 1.20 H new ATOM 1159 N LEU A 75 15.267 3.575 -5.183 1.00 74.13 N ATOM 1160 CA LEU A 75 14.255 3.579 -6.235 1.00 60.21 C ATOM 1161 C LEU A 75 13.774 2.163 -6.534 1.00 43.13 C ATOM 1162 O LEU A 75 12.644 1.961 -6.977 1.00 14.35 O ATOM 1163 CB LEU A 75 14.816 4.218 -7.507 1.00 1.12 C ATOM 1164 CG LEU A 75 13.803 4.931 -8.403 1.00 33.10 C ATOM 1165 CD1 LEU A 75 14.004 6.437 -8.342 1.00 10.30 C ATOM 1166 CD2 LEU A 75 13.916 4.433 -9.836 1.00 51.14 C ATOM 0 H LEU A 75 16.191 3.886 -5.484 1.00 74.13 H new ATOM 0 HA LEU A 75 13.405 4.165 -5.885 1.00 60.21 H new ATOM 0 HB2 LEU A 75 15.585 4.935 -7.220 1.00 1.12 H new ATOM 0 HB3 LEU A 75 15.307 3.441 -8.094 1.00 1.12 H new ATOM 0 HG LEU A 75 12.801 4.704 -8.039 1.00 33.10 H new ATOM 0 HD11 LEU A 75 13.274 6.928 -8.986 1.00 10.30 H new ATOM 0 HD12 LEU A 75 13.872 6.780 -7.316 1.00 10.30 H new ATOM 0 HD13 LEU A 75 15.010 6.684 -8.680 1.00 10.30 H new ATOM 0 HD21 LEU A 75 13.188 4.951 -10.460 1.00 51.14 H new ATOM 0 HD22 LEU A 75 14.920 4.629 -10.211 1.00 51.14 H new ATOM 0 HD23 LEU A 75 13.721 3.361 -9.865 1.00 51.14 H new ATOM 1178 N ARG A 76 14.639 1.185 -6.287 1.00 25.21 N ATOM 1179 CA ARG A 76 14.303 -0.213 -6.528 1.00 61.23 C ATOM 1180 C ARG A 76 13.355 -0.737 -5.453 1.00 61.12 C ATOM 1181 O ARG A 76 12.398 -1.453 -5.751 1.00 2.44 O ATOM 1182 CB ARG A 76 15.572 -1.067 -6.565 1.00 13.43 C ATOM 1183 CG ARG A 76 15.374 -2.424 -7.220 1.00 13.34 C ATOM 1184 CD ARG A 76 15.554 -3.556 -6.220 1.00 61.24 C ATOM 1185 NE ARG A 76 16.929 -4.045 -6.189 1.00 65.24 N ATOM 1186 CZ ARG A 76 17.454 -4.824 -7.128 1.00 71.24 C ATOM 1187 NH1 ARG A 76 16.722 -5.199 -8.168 1.00 62.33 N ATOM 1188 NH2 ARG A 76 18.714 -5.228 -7.030 1.00 41.04 N ATOM 0 H ARG A 76 15.579 1.335 -5.920 1.00 25.21 H new ATOM 0 HA ARG A 76 13.802 -0.279 -7.494 1.00 61.23 H new ATOM 0 HB2 ARG A 76 16.350 -0.524 -7.102 1.00 13.43 H new ATOM 0 HB3 ARG A 76 15.931 -1.214 -5.546 1.00 13.43 H new ATOM 0 HG2 ARG A 76 14.376 -2.477 -7.656 1.00 13.34 H new ATOM 0 HG3 ARG A 76 16.085 -2.542 -8.037 1.00 13.34 H new ATOM 0 HD2 ARG A 76 15.270 -3.210 -5.226 1.00 61.24 H new ATOM 0 HD3 ARG A 76 14.883 -4.376 -6.476 1.00 61.24 H new ATOM 0 HE ARG A 76 17.519 -3.773 -5.403 1.00 65.24 H new ATOM 0 HH11 ARG A 76 15.754 -4.889 -8.248 1.00 62.33 H new ATOM 0 HH12 ARG A 76 17.127 -5.797 -8.888 1.00 62.33 H new ATOM 0 HH21 ARG A 76 19.281 -4.940 -6.233 1.00 41.04 H new ATOM 0 HH22 ARG A 76 19.115 -5.826 -7.752 1.00 41.04 H new ATOM 1202 N SER A 77 13.629 -0.377 -4.204 1.00 32.44 N ATOM 1203 CA SER A 77 12.803 -0.815 -3.084 1.00 64.34 C ATOM 1204 C SER A 77 11.378 -0.289 -3.222 1.00 73.34 C ATOM 1205 O SER A 77 10.429 -0.897 -2.724 1.00 53.44 O ATOM 1206 CB SER A 77 13.409 -0.341 -1.761 1.00 74.31 C ATOM 1207 OG SER A 77 14.112 0.878 -1.930 1.00 34.32 O ATOM 0 H SER A 77 14.416 0.216 -3.941 1.00 32.44 H new ATOM 0 HA SER A 77 12.771 -1.905 -3.091 1.00 64.34 H new ATOM 0 HB2 SER A 77 12.619 -0.209 -1.022 1.00 74.31 H new ATOM 0 HB3 SER A 77 14.085 -1.103 -1.373 1.00 74.31 H new ATOM 0 HG SER A 77 13.581 1.488 -2.483 1.00 34.32 H new ATOM 1213 N LEU A 78 11.236 0.844 -3.901 1.00 14.33 N ATOM 1214 CA LEU A 78 9.926 1.454 -4.104 1.00 74.44 C ATOM 1215 C LEU A 78 9.129 0.691 -5.157 1.00 73.25 C ATOM 1216 O LEU A 78 8.033 0.201 -4.886 1.00 71.31 O ATOM 1217 CB LEU A 78 10.083 2.915 -4.528 1.00 13.45 C ATOM 1218 CG LEU A 78 9.712 3.962 -3.476 1.00 33.33 C ATOM 1219 CD1 LEU A 78 8.304 3.717 -2.952 1.00 44.03 C ATOM 1220 CD2 LEU A 78 10.717 3.949 -2.333 1.00 21.12 C ATOM 0 H LEU A 78 12.011 1.359 -4.320 1.00 14.33 H new ATOM 0 HA LEU A 78 9.382 1.412 -3.160 1.00 74.44 H new ATOM 0 HB2 LEU A 78 11.119 3.077 -4.824 1.00 13.45 H new ATOM 0 HB3 LEU A 78 9.469 3.084 -5.412 1.00 13.45 H new ATOM 0 HG LEU A 78 9.738 4.945 -3.945 1.00 33.33 H new ATOM 0 HD11 LEU A 78 8.057 4.471 -2.205 1.00 44.03 H new ATOM 0 HD12 LEU A 78 7.593 3.777 -3.776 1.00 44.03 H new ATOM 0 HD13 LEU A 78 8.251 2.727 -2.499 1.00 44.03 H new ATOM 0 HD21 LEU A 78 10.437 4.700 -1.594 1.00 21.12 H new ATOM 0 HD22 LEU A 78 10.723 2.964 -1.865 1.00 21.12 H new ATOM 0 HD23 LEU A 78 11.711 4.173 -2.720 1.00 21.12 H new ATOM 1232 N TYR A 79 9.687 0.593 -6.359 1.00 42.33 N ATOM 1233 CA TYR A 79 9.028 -0.109 -7.453 1.00 74.51 C ATOM 1234 C TYR A 79 8.516 -1.472 -6.996 1.00 32.21 C ATOM 1235 O TYR A 79 7.386 -1.855 -7.294 1.00 62.12 O ATOM 1236 CB TYR A 79 9.991 -0.283 -8.630 1.00 34.32 C ATOM 1237 CG TYR A 79 9.295 -0.475 -9.958 1.00 13.41 C ATOM 1238 CD1 TYR A 79 8.472 0.515 -10.483 1.00 21.41 C ATOM 1239 CD2 TYR A 79 9.460 -1.645 -10.688 1.00 33.33 C ATOM 1240 CE1 TYR A 79 7.834 0.343 -11.696 1.00 11.04 C ATOM 1241 CE2 TYR A 79 8.826 -1.825 -11.902 1.00 41.45 C ATOM 1242 CZ TYR A 79 8.014 -0.827 -12.403 1.00 22.35 C ATOM 1243 OH TYR A 79 7.381 -1.003 -13.612 1.00 14.24 O ATOM 0 H TYR A 79 10.595 0.991 -6.600 1.00 42.33 H new ATOM 0 HA TYR A 79 8.176 0.491 -7.774 1.00 74.51 H new ATOM 0 HB2 TYR A 79 10.638 0.592 -8.692 1.00 34.32 H new ATOM 0 HB3 TYR A 79 10.634 -1.142 -8.439 1.00 34.32 H new ATOM 0 HD1 TYR A 79 8.329 1.434 -9.933 1.00 21.41 H new ATOM 0 HD2 TYR A 79 10.095 -2.428 -10.300 1.00 33.33 H new ATOM 0 HE1 TYR A 79 7.197 1.122 -12.089 1.00 11.04 H new ATOM 0 HE2 TYR A 79 8.965 -2.741 -12.456 1.00 41.45 H new ATOM 0 HH TYR A 79 7.615 -1.881 -13.979 1.00 14.24 H new ATOM 1253 N ASN A 80 9.358 -2.200 -6.268 1.00 15.34 N ATOM 1254 CA ASN A 80 8.992 -3.520 -5.768 1.00 41.11 C ATOM 1255 C ASN A 80 7.687 -3.460 -4.979 1.00 62.14 C ATOM 1256 O ASN A 80 6.685 -4.058 -5.371 1.00 32.04 O ATOM 1257 CB ASN A 80 10.109 -4.081 -4.886 1.00 40.30 C ATOM 1258 CG ASN A 80 11.113 -4.900 -5.674 1.00 43.34 C ATOM 1259 OD1 ASN A 80 11.452 -4.561 -6.809 1.00 54.04 O ATOM 1260 ND2 ASN A 80 11.593 -5.983 -5.077 1.00 24.44 N ATOM 0 H ASN A 80 10.298 -1.898 -6.012 1.00 15.34 H new ATOM 0 HA ASN A 80 8.848 -4.179 -6.624 1.00 41.11 H new ATOM 0 HB2 ASN A 80 10.625 -3.258 -4.391 1.00 40.30 H new ATOM 0 HB3 ASN A 80 9.673 -4.701 -4.103 1.00 40.30 H new ATOM 0 HD21 ASN A 80 12.271 -6.573 -5.559 1.00 24.44 H new ATOM 0 HD22 ASN A 80 11.284 -6.226 -4.136 1.00 24.44 H new ATOM 1267 N THR A 81 7.708 -2.735 -3.865 1.00 41.34 N ATOM 1268 CA THR A 81 6.528 -2.597 -3.021 1.00 32.42 C ATOM 1269 C THR A 81 5.350 -2.037 -3.809 1.00 43.51 C ATOM 1270 O THR A 81 4.272 -2.631 -3.840 1.00 51.03 O ATOM 1271 CB THR A 81 6.805 -1.682 -1.813 1.00 72.04 C ATOM 1272 OG1 THR A 81 7.924 -2.178 -1.070 1.00 71.00 O ATOM 1273 CG2 THR A 81 5.585 -1.597 -0.908 1.00 20.31 C ATOM 0 H THR A 81 8.530 -2.234 -3.526 1.00 41.34 H new ATOM 0 HA THR A 81 6.279 -3.595 -2.662 1.00 32.42 H new ATOM 0 HB THR A 81 7.031 -0.683 -2.185 1.00 72.04 H new ATOM 0 HG1 THR A 81 8.755 -1.857 -1.477 1.00 71.00 H new ATOM 0 HG21 THR A 81 5.804 -0.946 -0.062 1.00 20.31 H new ATOM 0 HG22 THR A 81 4.743 -1.192 -1.469 1.00 20.31 H new ATOM 0 HG23 THR A 81 5.332 -2.593 -0.543 1.00 20.31 H new ATOM 1281 N ILE A 82 5.562 -0.890 -4.446 1.00 42.42 N ATOM 1282 CA ILE A 82 4.518 -0.250 -5.236 1.00 61.12 C ATOM 1283 C ILE A 82 3.818 -1.258 -6.140 1.00 53.12 C ATOM 1284 O ILE A 82 2.598 -1.220 -6.302 1.00 3.50 O ATOM 1285 CB ILE A 82 5.086 0.891 -6.101 1.00 73.02 C ATOM 1286 CG1 ILE A 82 5.639 2.007 -5.214 1.00 34.13 C ATOM 1287 CG2 ILE A 82 4.012 1.431 -7.034 1.00 45.32 C ATOM 1288 CD1 ILE A 82 6.478 3.016 -5.964 1.00 0.51 C ATOM 0 H ILE A 82 6.448 -0.385 -4.430 1.00 42.42 H new ATOM 0 HA ILE A 82 3.797 0.164 -4.531 1.00 61.12 H new ATOM 0 HB ILE A 82 5.902 0.497 -6.706 1.00 73.02 H new ATOM 0 HG12 ILE A 82 4.808 2.523 -4.733 1.00 34.13 H new ATOM 0 HG13 ILE A 82 6.241 1.564 -4.420 1.00 34.13 H new ATOM 0 HG21 ILE A 82 4.427 2.237 -7.639 1.00 45.32 H new ATOM 0 HG22 ILE A 82 3.661 0.631 -7.686 1.00 45.32 H new ATOM 0 HG23 ILE A 82 3.177 1.812 -6.446 1.00 45.32 H new ATOM 0 HD11 ILE A 82 6.836 3.778 -5.272 1.00 0.51 H new ATOM 0 HD12 ILE A 82 7.329 2.513 -6.422 1.00 0.51 H new ATOM 0 HD13 ILE A 82 5.874 3.486 -6.740 1.00 0.51 H new ATOM 1300 N ALA A 83 4.597 -2.162 -6.726 1.00 13.45 N ATOM 1301 CA ALA A 83 4.051 -3.183 -7.611 1.00 14.32 C ATOM 1302 C ALA A 83 3.038 -4.058 -6.880 1.00 34.05 C ATOM 1303 O ALA A 83 1.964 -4.355 -7.406 1.00 3.44 O ATOM 1304 CB ALA A 83 5.171 -4.038 -8.184 1.00 41.52 C ATOM 0 H ALA A 83 5.609 -2.208 -6.603 1.00 13.45 H new ATOM 0 HA ALA A 83 3.536 -2.681 -8.430 1.00 14.32 H new ATOM 0 HB1 ALA A 83 4.749 -4.797 -8.843 1.00 41.52 H new ATOM 0 HB2 ALA A 83 5.857 -3.407 -8.749 1.00 41.52 H new ATOM 0 HB3 ALA A 83 5.710 -4.524 -7.371 1.00 41.52 H new ATOM 1310 N VAL A 84 3.385 -4.468 -5.664 1.00 41.35 N ATOM 1311 CA VAL A 84 2.505 -5.309 -4.861 1.00 2.42 C ATOM 1312 C VAL A 84 1.141 -4.654 -4.673 1.00 32.34 C ATOM 1313 O VAL A 84 0.108 -5.323 -4.716 1.00 71.01 O ATOM 1314 CB VAL A 84 3.117 -5.602 -3.478 1.00 52.51 C ATOM 1315 CG1 VAL A 84 2.187 -6.482 -2.657 1.00 42.22 C ATOM 1316 CG2 VAL A 84 4.485 -6.251 -3.627 1.00 53.45 C ATOM 0 H VAL A 84 4.269 -4.231 -5.214 1.00 41.35 H new ATOM 0 HA VAL A 84 2.383 -6.247 -5.402 1.00 2.42 H new ATOM 0 HB VAL A 84 3.244 -4.657 -2.949 1.00 52.51 H new ATOM 0 HG11 VAL A 84 2.637 -6.678 -1.684 1.00 42.22 H new ATOM 0 HG12 VAL A 84 1.232 -5.974 -2.520 1.00 42.22 H new ATOM 0 HG13 VAL A 84 2.025 -7.425 -3.178 1.00 42.22 H new ATOM 0 HG21 VAL A 84 4.902 -6.451 -2.640 1.00 53.45 H new ATOM 0 HG22 VAL A 84 4.386 -7.188 -4.175 1.00 53.45 H new ATOM 0 HG23 VAL A 84 5.149 -5.580 -4.172 1.00 53.45 H new ATOM 1326 N LEU A 85 1.144 -3.342 -4.464 1.00 42.10 N ATOM 1327 CA LEU A 85 -0.093 -2.596 -4.269 1.00 53.50 C ATOM 1328 C LEU A 85 -0.967 -2.653 -5.519 1.00 45.32 C ATOM 1329 O LEU A 85 -2.138 -3.023 -5.453 1.00 34.12 O ATOM 1330 CB LEU A 85 0.216 -1.139 -3.916 1.00 22.50 C ATOM 1331 CG LEU A 85 -0.988 -0.203 -3.816 1.00 11.12 C ATOM 1332 CD1 LEU A 85 -1.981 -0.717 -2.786 1.00 72.34 C ATOM 1333 CD2 LEU A 85 -0.538 1.209 -3.466 1.00 23.22 C ATOM 0 H LEU A 85 1.990 -2.773 -4.425 1.00 42.10 H new ATOM 0 HA LEU A 85 -0.638 -3.056 -3.445 1.00 53.50 H new ATOM 0 HB2 LEU A 85 0.745 -1.121 -2.963 1.00 22.50 H new ATOM 0 HB3 LEU A 85 0.899 -0.741 -4.667 1.00 22.50 H new ATOM 0 HG LEU A 85 -1.484 -0.176 -4.786 1.00 11.12 H new ATOM 0 HD11 LEU A 85 -2.831 -0.037 -2.729 1.00 72.34 H new ATOM 0 HD12 LEU A 85 -2.328 -1.708 -3.078 1.00 72.34 H new ATOM 0 HD13 LEU A 85 -1.497 -0.775 -1.811 1.00 72.34 H new ATOM 0 HD21 LEU A 85 -1.408 1.862 -3.399 1.00 23.22 H new ATOM 0 HD22 LEU A 85 -0.018 1.198 -2.508 1.00 23.22 H new ATOM 0 HD23 LEU A 85 0.134 1.579 -4.240 1.00 23.22 H new ATOM 1345 N TYR A 86 -0.386 -2.285 -6.656 1.00 73.14 N ATOM 1346 CA TYR A 86 -1.111 -2.295 -7.921 1.00 12.51 C ATOM 1347 C TYR A 86 -1.880 -3.600 -8.099 1.00 75.23 C ATOM 1348 O TYR A 86 -3.072 -3.594 -8.410 1.00 43.34 O ATOM 1349 CB TYR A 86 -0.143 -2.097 -9.089 1.00 73.11 C ATOM 1350 CG TYR A 86 -0.777 -2.314 -10.444 1.00 41.24 C ATOM 1351 CD1 TYR A 86 -1.754 -1.448 -10.923 1.00 24.15 C ATOM 1352 CD2 TYR A 86 -0.399 -3.382 -11.248 1.00 31.13 C ATOM 1353 CE1 TYR A 86 -2.337 -1.643 -12.160 1.00 65.32 C ATOM 1354 CE2 TYR A 86 -0.975 -3.584 -12.487 1.00 11.10 C ATOM 1355 CZ TYR A 86 -1.944 -2.712 -12.938 1.00 51.30 C ATOM 1356 OH TYR A 86 -2.521 -2.908 -14.172 1.00 5.53 O ATOM 0 H TYR A 86 0.584 -1.977 -6.727 1.00 73.14 H new ATOM 0 HA TYR A 86 -1.826 -1.473 -7.907 1.00 12.51 H new ATOM 0 HB2 TYR A 86 0.264 -1.087 -9.045 1.00 73.11 H new ATOM 0 HB3 TYR A 86 0.696 -2.784 -8.975 1.00 73.11 H new ATOM 0 HD1 TYR A 86 -2.062 -0.609 -10.317 1.00 24.15 H new ATOM 0 HD2 TYR A 86 0.359 -4.067 -10.898 1.00 31.13 H new ATOM 0 HE1 TYR A 86 -3.096 -0.962 -12.516 1.00 65.32 H new ATOM 0 HE2 TYR A 86 -0.669 -4.420 -13.099 1.00 11.10 H new ATOM 0 HH TYR A 86 -2.132 -3.704 -14.592 1.00 5.53 H new ATOM 1366 N CYS A 87 -1.191 -4.717 -7.897 1.00 63.55 N ATOM 1367 CA CYS A 87 -1.808 -6.032 -8.036 1.00 4.43 C ATOM 1368 C CYS A 87 -2.883 -6.241 -6.974 1.00 74.44 C ATOM 1369 O CYS A 87 -3.854 -6.966 -7.194 1.00 22.51 O ATOM 1370 CB CYS A 87 -0.748 -7.129 -7.928 1.00 12.13 C ATOM 1371 SG CYS A 87 0.139 -7.452 -9.470 1.00 3.30 S ATOM 0 H CYS A 87 -0.205 -4.739 -7.636 1.00 63.55 H new ATOM 0 HA CYS A 87 -2.277 -6.085 -9.019 1.00 4.43 H new ATOM 0 HB2 CYS A 87 -0.028 -6.849 -7.159 1.00 12.13 H new ATOM 0 HB3 CYS A 87 -1.227 -8.051 -7.597 1.00 12.13 H new ATOM 0 HG CYS A 87 1.015 -8.393 -9.278 1.00 3.30 H new ATOM 1377 N VAL A 88 -2.704 -5.601 -5.823 1.00 70.50 N ATOM 1378 CA VAL A 88 -3.659 -5.718 -4.728 1.00 31.15 C ATOM 1379 C VAL A 88 -4.953 -4.975 -5.045 1.00 24.55 C ATOM 1380 O VAL A 88 -6.038 -5.402 -4.650 1.00 54.53 O ATOM 1381 CB VAL A 88 -3.074 -5.170 -3.412 1.00 53.43 C ATOM 1382 CG1 VAL A 88 -4.169 -5.003 -2.369 1.00 45.01 C ATOM 1383 CG2 VAL A 88 -1.972 -6.084 -2.898 1.00 44.53 C ATOM 0 H VAL A 88 -1.907 -4.996 -5.625 1.00 70.50 H new ATOM 0 HA VAL A 88 -3.874 -6.780 -4.607 1.00 31.15 H new ATOM 0 HB VAL A 88 -2.640 -4.190 -3.608 1.00 53.43 H new ATOM 0 HG11 VAL A 88 -3.737 -4.615 -1.447 1.00 45.01 H new ATOM 0 HG12 VAL A 88 -4.921 -4.306 -2.739 1.00 45.01 H new ATOM 0 HG13 VAL A 88 -4.635 -5.969 -2.173 1.00 45.01 H new ATOM 0 HG21 VAL A 88 -1.570 -5.682 -1.968 1.00 44.53 H new ATOM 0 HG22 VAL A 88 -2.379 -7.079 -2.717 1.00 44.53 H new ATOM 0 HG23 VAL A 88 -1.176 -6.147 -3.640 1.00 44.53 H new ATOM 1393 N HIS A 89 -4.829 -3.862 -5.759 1.00 20.13 N ATOM 1394 CA HIS A 89 -5.988 -3.059 -6.131 1.00 13.44 C ATOM 1395 C HIS A 89 -6.731 -3.689 -7.306 1.00 32.22 C ATOM 1396 O HIS A 89 -7.946 -3.505 -7.369 1.00 53.15 O ATOM 1397 CB HIS A 89 -5.557 -1.636 -6.491 1.00 30.35 C ATOM 1398 CG HIS A 89 -5.328 -0.760 -5.297 1.00 72.11 C ATOM 1399 ND1 HIS A 89 -6.216 -0.672 -4.246 1.00 73.42 N ATOM 1400 CD2 HIS A 89 -4.303 0.069 -4.990 1.00 73.54 C ATOM 1401 CE1 HIS A 89 -5.749 0.173 -3.346 1.00 4.34 C ATOM 1402 NE2 HIS A 89 -4.588 0.637 -3.774 1.00 25.13 N ATOM 0 H HIS A 89 -3.937 -3.495 -6.092 1.00 20.13 H new ATOM 0 HA HIS A 89 -6.661 -3.021 -5.275 1.00 13.44 H new ATOM 0 HB2 HIS A 89 -4.641 -1.681 -7.080 1.00 30.35 H new ATOM 0 HB3 HIS A 89 -6.321 -1.183 -7.123 1.00 30.35 H new ATOM 0 HD2 HIS A 89 -3.424 0.250 -5.591 1.00 73.54 H new ATOM 0 HE1 HIS A 89 -6.233 0.440 -2.418 1.00 4.34 H new ATOM 0 HE2 HIS A 89 -3.999 1.308 -3.281 1.00 25.13 H new ATOM 1411 N GLN A 90 -6.057 -4.401 -8.204 1.00 34.03 N ATOM 1412 CA GLN A 90 -6.724 -5.021 -9.342 1.00 53.14 C ATOM 1413 C GLN A 90 -7.276 -6.394 -8.969 1.00 2.32 C ATOM 1414 O GLN A 90 -7.510 -7.235 -9.836 1.00 34.20 O ATOM 1415 CB GLN A 90 -5.755 -5.150 -10.520 1.00 34.15 C ATOM 1416 CG GLN A 90 -6.394 -4.859 -11.868 1.00 11.42 C ATOM 1417 CD GLN A 90 -6.093 -5.927 -12.899 1.00 43.43 C ATOM 1418 OE1 GLN A 90 -6.759 -6.961 -12.952 1.00 23.31 O ATOM 1419 NE2 GLN A 90 -5.084 -5.682 -13.728 1.00 35.13 N ATOM 0 H GLN A 90 -5.051 -4.562 -8.165 1.00 34.03 H new ATOM 0 HA GLN A 90 -7.557 -4.382 -9.634 1.00 53.14 H new ATOM 0 HB2 GLN A 90 -4.919 -4.467 -10.369 1.00 34.15 H new ATOM 0 HB3 GLN A 90 -5.344 -6.159 -10.533 1.00 34.15 H new ATOM 0 HG2 GLN A 90 -7.473 -4.774 -11.743 1.00 11.42 H new ATOM 0 HG3 GLN A 90 -6.039 -3.896 -12.234 1.00 11.42 H new ATOM 0 HE21 GLN A 90 -4.559 -4.811 -13.649 1.00 35.13 H new ATOM 0 HE22 GLN A 90 -4.835 -6.365 -14.444 1.00 35.13 H new ATOM 1428 N ARG A 91 -7.479 -6.612 -7.674 1.00 43.41 N ATOM 1429 CA ARG A 91 -8.001 -7.883 -7.187 1.00 12.43 C ATOM 1430 C ARG A 91 -7.101 -9.039 -7.613 1.00 75.14 C ATOM 1431 O ARG A 91 -7.530 -10.193 -7.641 1.00 64.32 O ATOM 1432 CB ARG A 91 -9.422 -8.108 -7.707 1.00 2.22 C ATOM 1433 CG ARG A 91 -10.368 -8.681 -6.665 1.00 51.33 C ATOM 1434 CD ARG A 91 -11.813 -8.311 -6.961 1.00 13.30 C ATOM 1435 NE ARG A 91 -12.755 -9.229 -6.326 1.00 0.21 N ATOM 1436 CZ ARG A 91 -14.075 -9.106 -6.415 1.00 44.43 C ATOM 1437 NH1 ARG A 91 -14.605 -8.108 -7.110 1.00 32.45 N ATOM 1438 NH2 ARG A 91 -14.866 -9.981 -5.809 1.00 15.41 N ATOM 0 H ARG A 91 -7.290 -5.925 -6.944 1.00 43.41 H new ATOM 0 HA ARG A 91 -8.023 -7.845 -6.098 1.00 12.43 H new ATOM 0 HB2 ARG A 91 -9.822 -7.160 -8.067 1.00 2.22 H new ATOM 0 HB3 ARG A 91 -9.384 -8.783 -8.562 1.00 2.22 H new ATOM 0 HG2 ARG A 91 -10.267 -9.766 -6.638 1.00 51.33 H new ATOM 0 HG3 ARG A 91 -10.091 -8.311 -5.678 1.00 51.33 H new ATOM 0 HD2 ARG A 91 -12.006 -7.296 -6.613 1.00 13.30 H new ATOM 0 HD3 ARG A 91 -11.974 -8.315 -8.039 1.00 13.30 H new ATOM 0 HE ARG A 91 -12.379 -10.007 -5.784 1.00 0.21 H new ATOM 0 HH11 ARG A 91 -13.999 -7.434 -7.577 1.00 32.45 H new ATOM 0 HH12 ARG A 91 -15.619 -8.015 -7.177 1.00 32.45 H new ATOM 0 HH21 ARG A 91 -14.461 -10.749 -5.274 1.00 15.41 H new ATOM 0 HH22 ARG A 91 -15.879 -9.886 -5.878 1.00 15.41 H new ATOM 1452 N ILE A 92 -5.855 -8.721 -7.946 1.00 35.44 N ATOM 1453 CA ILE A 92 -4.897 -9.734 -8.370 1.00 60.13 C ATOM 1454 C ILE A 92 -4.093 -10.261 -7.186 1.00 42.13 C ATOM 1455 O ILE A 92 -3.457 -9.492 -6.465 1.00 20.54 O ATOM 1456 CB ILE A 92 -3.925 -9.181 -9.431 1.00 15.51 C ATOM 1457 CG1 ILE A 92 -4.687 -8.805 -10.704 1.00 52.30 C ATOM 1458 CG2 ILE A 92 -2.839 -10.201 -9.738 1.00 54.22 C ATOM 1459 CD1 ILE A 92 -3.828 -8.111 -11.738 1.00 62.11 C ATOM 0 H ILE A 92 -5.485 -7.770 -7.930 1.00 35.44 H new ATOM 0 HA ILE A 92 -5.473 -10.550 -8.807 1.00 60.13 H new ATOM 0 HB ILE A 92 -3.450 -8.283 -9.035 1.00 15.51 H new ATOM 0 HG12 ILE A 92 -5.113 -9.707 -11.143 1.00 52.30 H new ATOM 0 HG13 ILE A 92 -5.521 -8.155 -10.440 1.00 52.30 H new ATOM 0 HG21 ILE A 92 -2.161 -9.796 -10.489 1.00 54.22 H new ATOM 0 HG22 ILE A 92 -2.282 -10.424 -8.828 1.00 54.22 H new ATOM 0 HG23 ILE A 92 -3.295 -11.115 -10.117 1.00 54.22 H new ATOM 0 HD11 ILE A 92 -4.433 -7.874 -12.613 1.00 62.11 H new ATOM 0 HD12 ILE A 92 -3.423 -7.191 -11.316 1.00 62.11 H new ATOM 0 HD13 ILE A 92 -3.009 -8.768 -12.030 1.00 62.11 H new ATOM 1471 N ASP A 93 -4.124 -11.574 -6.995 1.00 25.20 N ATOM 1472 CA ASP A 93 -3.395 -12.206 -5.901 1.00 14.12 C ATOM 1473 C ASP A 93 -2.005 -12.639 -6.352 1.00 64.40 C ATOM 1474 O ASP A 93 -1.861 -13.546 -7.172 1.00 74.43 O ATOM 1475 CB ASP A 93 -4.172 -13.412 -5.371 1.00 13.41 C ATOM 1476 CG ASP A 93 -5.634 -13.094 -5.122 1.00 31.25 C ATOM 1477 OD1 ASP A 93 -5.971 -11.897 -5.012 1.00 3.23 O ATOM 1478 OD2 ASP A 93 -6.442 -14.043 -5.037 1.00 24.34 O ATOM 0 H ASP A 93 -4.646 -12.223 -7.584 1.00 25.20 H new ATOM 0 HA ASP A 93 -3.285 -11.474 -5.101 1.00 14.12 H new ATOM 0 HB2 ASP A 93 -4.098 -14.231 -6.086 1.00 13.41 H new ATOM 0 HB3 ASP A 93 -3.715 -13.756 -4.443 1.00 13.41 H new ATOM 1483 N VAL A 94 -0.981 -11.985 -5.812 1.00 61.51 N ATOM 1484 CA VAL A 94 0.399 -12.303 -6.160 1.00 31.13 C ATOM 1485 C VAL A 94 0.977 -13.348 -5.212 1.00 61.54 C ATOM 1486 O VAL A 94 0.410 -13.625 -4.155 1.00 0.45 O ATOM 1487 CB VAL A 94 1.289 -11.047 -6.126 1.00 60.55 C ATOM 1488 CG1 VAL A 94 0.750 -9.984 -7.071 1.00 32.41 C ATOM 1489 CG2 VAL A 94 1.396 -10.508 -4.709 1.00 12.31 C ATOM 0 H VAL A 94 -1.081 -11.232 -5.132 1.00 61.51 H new ATOM 0 HA VAL A 94 0.387 -12.703 -7.174 1.00 31.13 H new ATOM 0 HB VAL A 94 2.289 -11.323 -6.461 1.00 60.55 H new ATOM 0 HG11 VAL A 94 1.392 -9.104 -7.033 1.00 32.41 H new ATOM 0 HG12 VAL A 94 0.732 -10.376 -8.088 1.00 32.41 H new ATOM 0 HG13 VAL A 94 -0.261 -9.709 -6.770 1.00 32.41 H new ATOM 0 HG21 VAL A 94 2.029 -9.620 -4.704 1.00 12.31 H new ATOM 0 HG22 VAL A 94 0.403 -10.248 -4.343 1.00 12.31 H new ATOM 0 HG23 VAL A 94 1.833 -11.269 -4.062 1.00 12.31 H new ATOM 1499 N LYS A 95 2.109 -13.926 -5.598 1.00 41.33 N ATOM 1500 CA LYS A 95 2.767 -14.940 -4.783 1.00 43.11 C ATOM 1501 C LYS A 95 3.974 -14.355 -4.056 1.00 32.32 C ATOM 1502 O LYS A 95 4.435 -14.905 -3.056 1.00 33.44 O ATOM 1503 CB LYS A 95 3.207 -16.118 -5.655 1.00 33.41 C ATOM 1504 CG LYS A 95 2.051 -16.846 -6.321 1.00 22.13 C ATOM 1505 CD LYS A 95 2.501 -18.161 -6.935 1.00 33.41 C ATOM 1506 CE LYS A 95 2.545 -19.273 -5.899 1.00 24.44 C ATOM 1507 NZ LYS A 95 1.188 -19.806 -5.596 1.00 53.22 N ATOM 0 H LYS A 95 2.590 -13.709 -6.471 1.00 41.33 H new ATOM 0 HA LYS A 95 2.052 -15.292 -4.040 1.00 43.11 H new ATOM 0 HB2 LYS A 95 3.889 -15.755 -6.424 1.00 33.41 H new ATOM 0 HB3 LYS A 95 3.766 -16.825 -5.042 1.00 33.41 H new ATOM 0 HG2 LYS A 95 1.268 -17.035 -5.587 1.00 22.13 H new ATOM 0 HG3 LYS A 95 1.617 -16.212 -7.094 1.00 22.13 H new ATOM 0 HD2 LYS A 95 1.821 -18.439 -7.740 1.00 33.41 H new ATOM 0 HD3 LYS A 95 3.488 -18.037 -7.380 1.00 33.41 H new ATOM 0 HE2 LYS A 95 3.180 -20.082 -6.262 1.00 24.44 H new ATOM 0 HE3 LYS A 95 3.000 -18.897 -4.983 1.00 24.44 H new ATOM 0 HZ1 LYS A 95 1.160 -20.146 -4.613 1.00 53.22 H new ATOM 0 HZ2 LYS A 95 0.483 -19.052 -5.722 1.00 53.22 H new ATOM 0 HZ3 LYS A 95 0.972 -20.593 -6.241 1.00 53.22 H new ATOM 1521 N ASP A 96 4.479 -13.236 -4.563 1.00 24.22 N ATOM 1522 CA ASP A 96 5.631 -12.575 -3.960 1.00 71.33 C ATOM 1523 C ASP A 96 5.971 -11.289 -4.706 1.00 11.30 C ATOM 1524 O ASP A 96 5.387 -10.989 -5.748 1.00 54.30 O ATOM 1525 CB ASP A 96 6.839 -13.512 -3.956 1.00 3.02 C ATOM 1526 CG ASP A 96 6.872 -14.421 -5.169 1.00 74.05 C ATOM 1527 OD1 ASP A 96 7.057 -13.905 -6.292 1.00 72.51 O ATOM 1528 OD2 ASP A 96 6.713 -15.647 -4.997 1.00 21.24 O ATOM 0 H ASP A 96 4.109 -12.767 -5.390 1.00 24.22 H new ATOM 0 HA ASP A 96 5.376 -12.320 -2.931 1.00 71.33 H new ATOM 0 HB2 ASP A 96 7.754 -12.920 -3.924 1.00 3.02 H new ATOM 0 HB3 ASP A 96 6.821 -14.119 -3.051 1.00 3.02 H new ATOM 1533 N THR A 97 6.921 -10.531 -4.166 1.00 73.03 N ATOM 1534 CA THR A 97 7.337 -9.276 -4.779 1.00 64.13 C ATOM 1535 C THR A 97 7.908 -9.508 -6.174 1.00 51.25 C ATOM 1536 O THR A 97 8.147 -8.561 -6.924 1.00 5.33 O ATOM 1537 CB THR A 97 8.393 -8.555 -3.920 1.00 11.51 C ATOM 1538 OG1 THR A 97 7.933 -8.447 -2.568 1.00 13.33 O ATOM 1539 CG2 THR A 97 8.685 -7.168 -4.473 1.00 23.04 C ATOM 0 H THR A 97 7.416 -10.765 -3.306 1.00 73.03 H new ATOM 0 HA THR A 97 6.448 -8.650 -4.852 1.00 64.13 H new ATOM 0 HB THR A 97 9.312 -9.140 -3.946 1.00 11.51 H new ATOM 0 HG1 THR A 97 7.702 -7.514 -2.375 1.00 13.33 H new ATOM 0 HG21 THR A 97 9.433 -6.678 -3.850 1.00 23.04 H new ATOM 0 HG22 THR A 97 9.061 -7.255 -5.492 1.00 23.04 H new ATOM 0 HG23 THR A 97 7.770 -6.576 -4.473 1.00 23.04 H new ATOM 1547 N LYS A 98 8.122 -10.773 -6.517 1.00 63.34 N ATOM 1548 CA LYS A 98 8.662 -11.131 -7.824 1.00 2.31 C ATOM 1549 C LYS A 98 7.540 -11.362 -8.832 1.00 0.23 C ATOM 1550 O LYS A 98 7.476 -10.696 -9.865 1.00 2.21 O ATOM 1551 CB LYS A 98 9.529 -12.387 -7.714 1.00 0.04 C ATOM 1552 CG LYS A 98 10.296 -12.709 -8.984 1.00 62.44 C ATOM 1553 CD LYS A 98 11.304 -11.623 -9.318 1.00 65.12 C ATOM 1554 CE LYS A 98 12.188 -12.024 -10.489 1.00 41.54 C ATOM 1555 NZ LYS A 98 13.548 -12.434 -10.043 1.00 63.40 N ATOM 0 H LYS A 98 7.930 -11.568 -5.908 1.00 63.34 H new ATOM 0 HA LYS A 98 9.277 -10.302 -8.174 1.00 2.31 H new ATOM 0 HB2 LYS A 98 10.236 -12.259 -6.895 1.00 0.04 H new ATOM 0 HB3 LYS A 98 8.894 -13.235 -7.458 1.00 0.04 H new ATOM 0 HG2 LYS A 98 10.812 -13.662 -8.866 1.00 62.44 H new ATOM 0 HG3 LYS A 98 9.597 -12.825 -9.812 1.00 62.44 H new ATOM 0 HD2 LYS A 98 10.778 -10.699 -9.557 1.00 65.12 H new ATOM 0 HD3 LYS A 98 11.924 -11.420 -8.445 1.00 65.12 H new ATOM 0 HE2 LYS A 98 11.721 -12.846 -11.032 1.00 41.54 H new ATOM 0 HE3 LYS A 98 12.270 -11.189 -11.184 1.00 41.54 H new ATOM 0 HZ1 LYS A 98 14.119 -12.700 -10.870 1.00 63.40 H new ATOM 0 HZ2 LYS A 98 14.004 -11.642 -9.547 1.00 63.40 H new ATOM 0 HZ3 LYS A 98 13.472 -13.247 -9.399 1.00 63.40 H new ATOM 1569 N GLU A 99 6.659 -12.308 -8.524 1.00 34.14 N ATOM 1570 CA GLU A 99 5.539 -12.625 -9.403 1.00 3.33 C ATOM 1571 C GLU A 99 4.650 -11.402 -9.613 1.00 41.11 C ATOM 1572 O GLU A 99 3.930 -11.310 -10.606 1.00 15.32 O ATOM 1573 CB GLU A 99 4.715 -13.775 -8.822 1.00 3.15 C ATOM 1574 CG GLU A 99 5.436 -15.113 -8.847 1.00 15.51 C ATOM 1575 CD GLU A 99 5.261 -15.846 -10.163 1.00 51.31 C ATOM 1576 OE1 GLU A 99 4.523 -15.337 -11.032 1.00 2.33 O ATOM 1577 OE2 GLU A 99 5.862 -16.928 -10.323 1.00 23.23 O ATOM 0 H GLU A 99 6.699 -12.868 -7.673 1.00 34.14 H new ATOM 0 HA GLU A 99 5.943 -12.930 -10.369 1.00 3.33 H new ATOM 0 HB2 GLU A 99 4.447 -13.535 -7.793 1.00 3.15 H new ATOM 0 HB3 GLU A 99 3.784 -13.863 -9.382 1.00 3.15 H new ATOM 0 HG2 GLU A 99 6.498 -14.952 -8.663 1.00 15.51 H new ATOM 0 HG3 GLU A 99 5.063 -15.738 -8.035 1.00 15.51 H new ATOM 1584 N ALA A 100 4.706 -10.468 -8.669 1.00 71.20 N ATOM 1585 CA ALA A 100 3.907 -9.251 -8.751 1.00 21.44 C ATOM 1586 C ALA A 100 4.518 -8.258 -9.734 1.00 64.31 C ATOM 1587 O ALA A 100 3.840 -7.765 -10.636 1.00 43.10 O ATOM 1588 CB ALA A 100 3.769 -8.617 -7.375 1.00 30.42 C ATOM 0 H ALA A 100 5.296 -10.531 -7.839 1.00 71.20 H new ATOM 0 HA ALA A 100 2.916 -9.520 -9.116 1.00 21.44 H new ATOM 0 HB1 ALA A 100 3.170 -7.709 -7.451 1.00 30.42 H new ATOM 0 HB2 ALA A 100 3.281 -9.318 -6.699 1.00 30.42 H new ATOM 0 HB3 ALA A 100 4.757 -8.368 -6.988 1.00 30.42 H new ATOM 1594 N LEU A 101 5.802 -7.968 -9.553 1.00 52.32 N ATOM 1595 CA LEU A 101 6.505 -7.032 -10.425 1.00 20.54 C ATOM 1596 C LEU A 101 6.455 -7.498 -11.876 1.00 62.40 C ATOM 1597 O LEU A 101 6.191 -6.708 -12.783 1.00 62.31 O ATOM 1598 CB LEU A 101 7.959 -6.881 -9.975 1.00 54.31 C ATOM 1599 CG LEU A 101 8.209 -5.896 -8.833 1.00 45.42 C ATOM 1600 CD1 LEU A 101 9.477 -6.264 -8.078 1.00 42.10 C ATOM 1601 CD2 LEU A 101 8.298 -4.472 -9.367 1.00 31.44 C ATOM 0 H LEU A 101 6.377 -8.367 -8.811 1.00 52.32 H new ATOM 0 HA LEU A 101 6.007 -6.065 -10.357 1.00 20.54 H new ATOM 0 HB2 LEU A 101 8.328 -7.861 -9.671 1.00 54.31 H new ATOM 0 HB3 LEU A 101 8.554 -6.569 -10.834 1.00 54.31 H new ATOM 0 HG LEU A 101 7.369 -5.952 -8.140 1.00 45.42 H new ATOM 0 HD11 LEU A 101 9.638 -5.552 -7.269 1.00 42.10 H new ATOM 0 HD12 LEU A 101 9.376 -7.267 -7.664 1.00 42.10 H new ATOM 0 HD13 LEU A 101 10.327 -6.237 -8.760 1.00 42.10 H new ATOM 0 HD21 LEU A 101 8.476 -3.784 -8.541 1.00 31.44 H new ATOM 0 HD22 LEU A 101 9.119 -4.402 -10.081 1.00 31.44 H new ATOM 0 HD23 LEU A 101 7.363 -4.210 -9.862 1.00 31.44 H new ATOM 1613 N ASP A 102 6.709 -8.785 -12.089 1.00 2.12 N ATOM 1614 CA ASP A 102 6.690 -9.357 -13.430 1.00 53.52 C ATOM 1615 C ASP A 102 5.334 -9.139 -14.094 1.00 64.11 C ATOM 1616 O ASP A 102 5.258 -8.785 -15.271 1.00 55.14 O ATOM 1617 CB ASP A 102 7.011 -10.851 -13.375 1.00 33.31 C ATOM 1618 CG ASP A 102 8.485 -11.119 -13.140 1.00 15.30 C ATOM 1619 OD1 ASP A 102 9.314 -10.555 -13.883 1.00 25.24 O ATOM 1620 OD2 ASP A 102 8.807 -11.892 -12.213 1.00 65.34 O ATOM 0 H ASP A 102 6.931 -9.452 -11.350 1.00 2.12 H new ATOM 0 HA ASP A 102 7.451 -8.852 -14.025 1.00 53.52 H new ATOM 0 HB2 ASP A 102 6.429 -11.316 -12.579 1.00 33.31 H new ATOM 0 HB3 ASP A 102 6.704 -11.320 -14.310 1.00 33.31 H new ATOM 1625 N LYS A 103 4.267 -9.355 -13.333 1.00 2.30 N ATOM 1626 CA LYS A 103 2.913 -9.182 -13.847 1.00 72.42 C ATOM 1627 C LYS A 103 2.726 -7.784 -14.428 1.00 15.13 C ATOM 1628 O LYS A 103 1.889 -7.574 -15.307 1.00 42.02 O ATOM 1629 CB LYS A 103 1.890 -9.426 -12.736 1.00 55.31 C ATOM 1630 CG LYS A 103 1.588 -10.896 -12.497 1.00 45.13 C ATOM 1631 CD LYS A 103 0.260 -11.300 -13.112 1.00 61.33 C ATOM 1632 CE LYS A 103 0.250 -12.770 -13.501 1.00 34.51 C ATOM 1633 NZ LYS A 103 0.503 -12.962 -14.957 1.00 2.45 N ATOM 0 H LYS A 103 4.313 -9.650 -12.358 1.00 2.30 H new ATOM 0 HA LYS A 103 2.757 -9.910 -14.643 1.00 72.42 H new ATOM 0 HB2 LYS A 103 2.260 -8.985 -11.810 1.00 55.31 H new ATOM 0 HB3 LYS A 103 0.963 -8.910 -12.987 1.00 55.31 H new ATOM 0 HG2 LYS A 103 2.386 -11.506 -12.920 1.00 45.13 H new ATOM 0 HG3 LYS A 103 1.569 -11.095 -11.425 1.00 45.13 H new ATOM 0 HD2 LYS A 103 -0.545 -11.105 -12.403 1.00 61.33 H new ATOM 0 HD3 LYS A 103 0.065 -10.688 -13.993 1.00 61.33 H new ATOM 0 HE2 LYS A 103 1.009 -13.302 -12.928 1.00 34.51 H new ATOM 0 HE3 LYS A 103 -0.713 -13.208 -13.239 1.00 34.51 H new ATOM 0 HZ1 LYS A 103 0.488 -13.977 -15.181 1.00 2.45 H new ATOM 0 HZ2 LYS A 103 -0.235 -12.476 -15.505 1.00 2.45 H new ATOM 0 HZ3 LYS A 103 1.433 -12.567 -15.203 1.00 2.45 H new ATOM 1647 N ILE A 104 3.509 -6.832 -13.932 1.00 11.35 N ATOM 1648 CA ILE A 104 3.430 -5.455 -14.404 1.00 32.22 C ATOM 1649 C ILE A 104 4.401 -5.211 -15.553 1.00 64.31 C ATOM 1650 O ILE A 104 4.184 -4.334 -16.388 1.00 32.04 O ATOM 1651 CB ILE A 104 3.728 -4.454 -13.272 1.00 25.23 C ATOM 1652 CG1 ILE A 104 2.785 -4.690 -12.090 1.00 53.44 C ATOM 1653 CG2 ILE A 104 3.603 -3.026 -13.781 1.00 71.35 C ATOM 1654 CD1 ILE A 104 3.061 -3.789 -10.908 1.00 5.30 C ATOM 0 H ILE A 104 4.205 -6.989 -13.203 1.00 11.35 H new ATOM 0 HA ILE A 104 2.410 -5.300 -14.755 1.00 32.22 H new ATOM 0 HB ILE A 104 4.752 -4.609 -12.931 1.00 25.23 H new ATOM 0 HG12 ILE A 104 1.757 -4.539 -12.420 1.00 53.44 H new ATOM 0 HG13 ILE A 104 2.868 -5.729 -11.772 1.00 53.44 H new ATOM 0 HG21 ILE A 104 3.817 -2.330 -12.969 1.00 71.35 H new ATOM 0 HG22 ILE A 104 4.313 -2.866 -14.593 1.00 71.35 H new ATOM 0 HG23 ILE A 104 2.590 -2.857 -14.146 1.00 71.35 H new ATOM 0 HD11 ILE A 104 2.355 -4.012 -10.108 1.00 5.30 H new ATOM 0 HD12 ILE A 104 4.078 -3.957 -10.552 1.00 5.30 H new ATOM 0 HD13 ILE A 104 2.950 -2.748 -11.210 1.00 5.30 H new ATOM 1666 N GLU A 105 5.475 -5.996 -15.590 1.00 13.12 N ATOM 1667 CA GLU A 105 6.480 -5.865 -16.637 1.00 72.01 C ATOM 1668 C GLU A 105 6.020 -6.550 -17.921 1.00 31.43 C ATOM 1669 O GLU A 105 6.341 -6.107 -19.023 1.00 10.04 O ATOM 1670 CB GLU A 105 7.812 -6.462 -16.175 1.00 74.33 C ATOM 1671 CG GLU A 105 8.981 -6.114 -17.081 1.00 43.22 C ATOM 1672 CD GLU A 105 10.138 -7.085 -16.939 1.00 11.24 C ATOM 1673 OE1 GLU A 105 10.124 -7.888 -15.983 1.00 62.20 O ATOM 1674 OE2 GLU A 105 11.056 -7.040 -17.783 1.00 13.42 O ATOM 0 H GLU A 105 5.670 -6.728 -14.907 1.00 13.12 H new ATOM 0 HA GLU A 105 6.618 -4.803 -16.842 1.00 72.01 H new ATOM 0 HB2 GLU A 105 8.028 -6.110 -15.166 1.00 74.33 H new ATOM 0 HB3 GLU A 105 7.715 -7.546 -16.121 1.00 74.33 H new ATOM 0 HG2 GLU A 105 8.643 -6.106 -18.117 1.00 43.22 H new ATOM 0 HG3 GLU A 105 9.327 -5.106 -16.851 1.00 43.22 H new ATOM 1681 N GLU A 106 5.268 -7.636 -17.768 1.00 31.21 N ATOM 1682 CA GLU A 106 4.765 -8.383 -18.914 1.00 61.33 C ATOM 1683 C GLU A 106 3.582 -7.665 -19.557 1.00 5.11 C ATOM 1684 O GLU A 106 3.419 -7.685 -20.776 1.00 70.41 O ATOM 1685 CB GLU A 106 4.350 -9.794 -18.490 1.00 11.02 C ATOM 1686 CG GLU A 106 4.654 -10.858 -19.531 1.00 60.13 C ATOM 1687 CD GLU A 106 5.320 -12.083 -18.935 1.00 42.44 C ATOM 1688 OE1 GLU A 106 4.738 -12.684 -18.010 1.00 33.54 O ATOM 1689 OE2 GLU A 106 6.425 -12.440 -19.397 1.00 52.33 O ATOM 0 H GLU A 106 4.994 -8.017 -16.862 1.00 31.21 H new ATOM 0 HA GLU A 106 5.567 -8.453 -19.648 1.00 61.33 H new ATOM 0 HB2 GLU A 106 4.861 -10.050 -17.562 1.00 11.02 H new ATOM 0 HB3 GLU A 106 3.281 -9.801 -18.278 1.00 11.02 H new ATOM 0 HG2 GLU A 106 3.728 -11.155 -20.022 1.00 60.13 H new ATOM 0 HG3 GLU A 106 5.301 -10.435 -20.300 1.00 60.13 H new ATOM 1696 N GLU A 107 2.760 -7.032 -18.726 1.00 3.12 N ATOM 1697 CA GLU A 107 1.591 -6.308 -19.212 1.00 43.13 C ATOM 1698 C GLU A 107 2.006 -5.146 -20.110 1.00 62.00 C ATOM 1699 O GLU A 107 1.280 -4.770 -21.030 1.00 51.31 O ATOM 1700 CB GLU A 107 0.761 -5.788 -18.038 1.00 54.43 C ATOM 1701 CG GLU A 107 -0.489 -5.034 -18.463 1.00 12.02 C ATOM 1702 CD GLU A 107 -0.298 -3.530 -18.441 1.00 2.13 C ATOM 1703 OE1 GLU A 107 -0.258 -2.953 -17.334 1.00 15.11 O ATOM 1704 OE2 GLU A 107 -0.188 -2.930 -19.530 1.00 43.41 O ATOM 0 H GLU A 107 2.882 -7.006 -17.714 1.00 3.12 H new ATOM 0 HA GLU A 107 0.985 -6.999 -19.798 1.00 43.13 H new ATOM 0 HB2 GLU A 107 0.471 -6.629 -17.408 1.00 54.43 H new ATOM 0 HB3 GLU A 107 1.381 -5.132 -17.428 1.00 54.43 H new ATOM 0 HG2 GLU A 107 -0.773 -5.346 -19.468 1.00 12.02 H new ATOM 0 HG3 GLU A 107 -1.313 -5.302 -17.802 1.00 12.02 H new ATOM 1711 N GLN A 108 3.178 -4.582 -19.835 1.00 54.32 N ATOM 1712 CA GLN A 108 3.688 -3.462 -20.617 1.00 65.41 C ATOM 1713 C GLN A 108 4.161 -3.928 -21.991 1.00 1.03 C ATOM 1714 O GLN A 108 4.003 -3.220 -22.984 1.00 11.20 O ATOM 1715 CB GLN A 108 4.836 -2.776 -19.875 1.00 3.20 C ATOM 1716 CG GLN A 108 4.872 -1.269 -20.069 1.00 60.44 C ATOM 1717 CD GLN A 108 5.664 -0.857 -21.294 1.00 62.24 C ATOM 1718 OE1 GLN A 108 6.123 -1.702 -22.064 1.00 42.23 O ATOM 1719 NE2 GLN A 108 5.830 0.447 -21.482 1.00 54.20 N ATOM 0 H GLN A 108 3.791 -4.882 -19.077 1.00 54.32 H new ATOM 0 HA GLN A 108 2.876 -2.748 -20.755 1.00 65.41 H new ATOM 0 HB2 GLN A 108 4.752 -2.995 -18.811 1.00 3.20 H new ATOM 0 HB3 GLN A 108 5.781 -3.200 -20.214 1.00 3.20 H new ATOM 0 HG2 GLN A 108 3.853 -0.893 -20.157 1.00 60.44 H new ATOM 0 HG3 GLN A 108 5.308 -0.803 -19.185 1.00 60.44 H new ATOM 0 HE21 GLN A 108 5.433 1.113 -20.819 1.00 54.20 H new ATOM 0 HE22 GLN A 108 6.355 0.783 -22.289 1.00 54.20 H new ATOM 1728 N ASN A 109 4.743 -5.122 -22.037 1.00 51.43 N ATOM 1729 CA ASN A 109 5.239 -5.681 -23.289 1.00 51.12 C ATOM 1730 C ASN A 109 4.093 -5.935 -24.264 1.00 62.51 C ATOM 1731 O ASN A 109 4.283 -5.922 -25.481 1.00 2.51 O ATOM 1732 CB ASN A 109 5.997 -6.984 -23.024 1.00 40.33 C ATOM 1733 CG ASN A 109 7.478 -6.863 -23.327 1.00 34.33 C ATOM 1734 OD1 ASN A 109 8.103 -5.845 -23.027 1.00 34.54 O ATOM 1735 ND2 ASN A 109 8.047 -7.904 -23.923 1.00 51.13 N ATOM 0 H ASN A 109 4.883 -5.720 -21.223 1.00 51.43 H new ATOM 0 HA ASN A 109 5.919 -4.957 -23.737 1.00 51.12 H new ATOM 0 HB2 ASN A 109 5.865 -7.273 -21.981 1.00 40.33 H new ATOM 0 HB3 ASN A 109 5.568 -7.781 -23.632 1.00 40.33 H new ATOM 0 HD21 ASN A 109 9.041 -7.881 -24.151 1.00 51.13 H new ATOM 0 HD22 ASN A 109 7.490 -8.727 -24.153 1.00 51.13 H new ATOM 1742 N LYS A 110 2.902 -6.166 -23.722 1.00 42.23 N ATOM 1743 CA LYS A 110 1.725 -6.421 -24.542 1.00 73.12 C ATOM 1744 C LYS A 110 1.286 -5.156 -25.273 1.00 62.12 C ATOM 1745 O LYS A 110 0.847 -5.213 -26.422 1.00 43.34 O ATOM 1746 CB LYS A 110 0.577 -6.944 -23.674 1.00 65.45 C ATOM 1747 CG LYS A 110 0.182 -8.378 -23.988 1.00 0.40 C ATOM 1748 CD LYS A 110 -0.190 -9.141 -22.728 1.00 42.15 C ATOM 1749 CE LYS A 110 -1.553 -9.804 -22.862 1.00 12.13 C ATOM 1750 NZ LYS A 110 -2.662 -8.813 -22.783 1.00 64.53 N ATOM 0 H LYS A 110 2.727 -6.182 -22.717 1.00 42.23 H new ATOM 0 HA LYS A 110 1.987 -7.176 -25.283 1.00 73.12 H new ATOM 0 HB2 LYS A 110 0.866 -6.877 -22.625 1.00 65.45 H new ATOM 0 HB3 LYS A 110 -0.292 -6.299 -23.808 1.00 65.45 H new ATOM 0 HG2 LYS A 110 -0.661 -8.381 -24.679 1.00 0.40 H new ATOM 0 HG3 LYS A 110 1.008 -8.882 -24.490 1.00 0.40 H new ATOM 0 HD2 LYS A 110 0.566 -9.899 -22.523 1.00 42.15 H new ATOM 0 HD3 LYS A 110 -0.197 -8.460 -21.877 1.00 42.15 H new ATOM 0 HE2 LYS A 110 -1.607 -10.334 -23.813 1.00 12.13 H new ATOM 0 HE3 LYS A 110 -1.674 -10.548 -22.075 1.00 12.13 H new ATOM 0 HZ1 LYS A 110 -3.574 -9.304 -22.878 1.00 64.53 H new ATOM 0 HZ2 LYS A 110 -2.626 -8.324 -21.866 1.00 64.53 H new ATOM 0 HZ3 LYS A 110 -2.561 -8.118 -23.550 1.00 64.53 H new ATOM 1764 N SER A 111 1.410 -4.017 -24.601 1.00 41.40 N ATOM 1765 CA SER A 111 1.025 -2.738 -25.188 1.00 34.32 C ATOM 1766 C SER A 111 2.102 -2.231 -26.141 1.00 41.04 C ATOM 1767 O SER A 111 1.810 -1.523 -27.106 1.00 24.40 O ATOM 1768 CB SER A 111 0.774 -1.704 -24.087 1.00 65.25 C ATOM 1769 OG SER A 111 0.392 -0.456 -24.640 1.00 25.14 O ATOM 0 H SER A 111 1.774 -3.953 -23.650 1.00 41.40 H new ATOM 0 HA SER A 111 0.106 -2.888 -25.754 1.00 34.32 H new ATOM 0 HB2 SER A 111 -0.007 -2.063 -23.417 1.00 65.25 H new ATOM 0 HB3 SER A 111 1.676 -1.579 -23.488 1.00 65.25 H new ATOM 0 HG SER A 111 0.236 0.188 -23.918 1.00 25.14 H new ATOM 1775 N LYS A 112 3.348 -2.599 -25.866 1.00 3.45 N ATOM 1776 CA LYS A 112 4.471 -2.184 -26.699 1.00 14.23 C ATOM 1777 C LYS A 112 4.330 -2.733 -28.115 1.00 1.15 C ATOM 1778 O LYS A 112 4.700 -2.075 -29.087 1.00 63.11 O ATOM 1779 CB LYS A 112 5.790 -2.657 -26.085 1.00 20.50 C ATOM 1780 CG LYS A 112 7.002 -1.886 -26.577 1.00 52.12 C ATOM 1781 CD LYS A 112 7.732 -1.204 -25.432 1.00 43.33 C ATOM 1782 CE LYS A 112 8.888 -0.353 -25.936 1.00 4.33 C ATOM 1783 NZ LYS A 112 9.409 0.556 -24.878 1.00 3.00 N ATOM 0 H LYS A 112 3.606 -3.185 -25.072 1.00 3.45 H new ATOM 0 HA LYS A 112 4.471 -1.095 -26.749 1.00 14.23 H new ATOM 0 HB2 LYS A 112 5.729 -2.567 -25.000 1.00 20.50 H new ATOM 0 HB3 LYS A 112 5.927 -3.715 -26.310 1.00 20.50 H new ATOM 0 HG2 LYS A 112 7.683 -2.565 -27.090 1.00 52.12 H new ATOM 0 HG3 LYS A 112 6.688 -1.139 -27.306 1.00 52.12 H new ATOM 0 HD2 LYS A 112 7.034 -0.579 -24.875 1.00 43.33 H new ATOM 0 HD3 LYS A 112 8.108 -1.957 -24.739 1.00 43.33 H new ATOM 0 HE2 LYS A 112 9.691 -1.002 -26.286 1.00 4.33 H new ATOM 0 HE3 LYS A 112 8.559 0.236 -26.792 1.00 4.33 H new ATOM 0 HZ1 LYS A 112 10.196 1.119 -25.260 1.00 3.00 H new ATOM 0 HZ2 LYS A 112 8.649 1.192 -24.562 1.00 3.00 H new ATOM 0 HZ3 LYS A 112 9.746 -0.007 -24.072 1.00 3.00 H new ATOM 1797 N LYS A 113 3.791 -3.943 -28.224 1.00 3.24 N ATOM 1798 CA LYS A 113 3.598 -4.580 -29.521 1.00 21.11 C ATOM 1799 C LYS A 113 2.755 -3.702 -30.439 1.00 71.01 C ATOM 1800 O LYS A 113 2.951 -3.688 -31.654 1.00 50.35 O ATOM 1801 CB LYS A 113 2.929 -5.946 -29.347 1.00 54.31 C ATOM 1802 CG LYS A 113 3.064 -6.849 -30.560 1.00 63.04 C ATOM 1803 CD LYS A 113 1.756 -7.553 -30.880 1.00 11.32 C ATOM 1804 CE LYS A 113 1.595 -7.777 -32.375 1.00 20.31 C ATOM 1805 NZ LYS A 113 0.813 -6.686 -33.019 1.00 52.40 N ATOM 0 H LYS A 113 3.480 -4.502 -27.429 1.00 3.24 H new ATOM 0 HA LYS A 113 4.577 -4.718 -29.979 1.00 21.11 H new ATOM 0 HB2 LYS A 113 3.364 -6.446 -28.482 1.00 54.31 H new ATOM 0 HB3 LYS A 113 1.871 -5.798 -29.131 1.00 54.31 H new ATOM 0 HG2 LYS A 113 3.381 -6.259 -31.420 1.00 63.04 H new ATOM 0 HG3 LYS A 113 3.842 -7.590 -30.378 1.00 63.04 H new ATOM 0 HD2 LYS A 113 1.721 -8.511 -30.362 1.00 11.32 H new ATOM 0 HD3 LYS A 113 0.921 -6.959 -30.508 1.00 11.32 H new ATOM 0 HE2 LYS A 113 2.579 -7.842 -32.840 1.00 20.31 H new ATOM 0 HE3 LYS A 113 1.097 -8.731 -32.548 1.00 20.31 H new ATOM 0 HZ1 LYS A 113 0.726 -6.876 -34.038 1.00 52.40 H new ATOM 0 HZ2 LYS A 113 -0.135 -6.640 -32.593 1.00 52.40 H new ATOM 0 HZ3 LYS A 113 1.301 -5.779 -32.877 1.00 52.40 H new ATOM 1819 N LYS A 114 1.816 -2.969 -29.851 1.00 33.40 N ATOM 1820 CA LYS A 114 0.944 -2.085 -30.614 1.00 63.14 C ATOM 1821 C LYS A 114 1.494 -0.662 -30.633 1.00 54.12 C ATOM 1822 O LYS A 114 1.842 -0.135 -31.690 1.00 62.14 O ATOM 1823 CB LYS A 114 -0.467 -2.090 -30.022 1.00 70.35 C ATOM 1824 CG LYS A 114 -1.292 -3.300 -30.426 1.00 41.35 C ATOM 1825 CD LYS A 114 -1.164 -4.425 -29.414 1.00 63.31 C ATOM 1826 CE LYS A 114 -2.522 -5.000 -29.043 1.00 22.32 C ATOM 1827 NZ LYS A 114 -2.416 -6.029 -27.972 1.00 43.14 N ATOM 0 H LYS A 114 1.639 -2.970 -28.846 1.00 33.40 H new ATOM 0 HA LYS A 114 0.902 -2.454 -31.639 1.00 63.14 H new ATOM 0 HB2 LYS A 114 -0.396 -2.056 -28.935 1.00 70.35 H new ATOM 0 HB3 LYS A 114 -0.987 -1.185 -30.336 1.00 70.35 H new ATOM 0 HG2 LYS A 114 -2.339 -3.012 -30.521 1.00 41.35 H new ATOM 0 HG3 LYS A 114 -0.968 -3.652 -31.405 1.00 41.35 H new ATOM 0 HD2 LYS A 114 -0.534 -5.214 -29.824 1.00 63.31 H new ATOM 0 HD3 LYS A 114 -0.668 -4.054 -28.517 1.00 63.31 H new ATOM 0 HE2 LYS A 114 -3.178 -4.196 -28.710 1.00 22.32 H new ATOM 0 HE3 LYS A 114 -2.983 -5.442 -29.927 1.00 22.32 H new ATOM 0 HZ1 LYS A 114 -3.363 -6.396 -27.748 1.00 43.14 H new ATOM 0 HZ2 LYS A 114 -1.811 -6.809 -28.299 1.00 43.14 H new ATOM 0 HZ3 LYS A 114 -2.000 -5.602 -27.120 1.00 43.14 H new ATOM 1841 N ALA A 115 1.569 -0.046 -29.458 1.00 50.22 N ATOM 1842 CA ALA A 115 2.079 1.314 -29.340 1.00 41.34 C ATOM 1843 C ALA A 115 1.313 2.269 -30.250 1.00 31.22 C ATOM 1844 O ALA A 115 1.900 3.159 -30.866 1.00 33.54 O ATOM 1845 CB ALA A 115 3.565 1.350 -29.667 1.00 12.23 C ATOM 0 H ALA A 115 1.283 -0.467 -28.574 1.00 50.22 H new ATOM 0 HA ALA A 115 1.936 1.641 -28.310 1.00 41.34 H new ATOM 0 HB1 ALA A 115 3.933 2.372 -29.575 1.00 12.23 H new ATOM 0 HB2 ALA A 115 4.106 0.706 -28.974 1.00 12.23 H new ATOM 0 HB3 ALA A 115 3.722 0.998 -30.687 1.00 12.23 H new ATOM 1851 N GLN A 116 0.001 2.077 -30.329 1.00 53.45 N ATOM 1852 CA GLN A 116 -0.845 2.921 -31.166 1.00 2.51 C ATOM 1853 C GLN A 116 -1.499 4.024 -30.340 1.00 61.33 C ATOM 1854 O GLN A 116 -1.343 5.209 -30.636 1.00 35.42 O ATOM 1855 CB GLN A 116 -1.919 2.079 -31.856 1.00 64.32 C ATOM 1856 CG GLN A 116 -2.360 2.638 -33.199 1.00 64.42 C ATOM 1857 CD GLN A 116 -1.660 1.970 -34.367 1.00 74.43 C ATOM 1858 OE1 GLN A 116 -0.790 2.562 -35.006 1.00 15.03 O ATOM 1859 NE2 GLN A 116 -2.039 0.729 -34.653 1.00 43.14 N ATOM 0 H GLN A 116 -0.500 1.345 -29.825 1.00 53.45 H new ATOM 0 HA GLN A 116 -0.215 3.385 -31.925 1.00 2.51 H new ATOM 0 HB2 GLN A 116 -1.539 1.067 -32.000 1.00 64.32 H new ATOM 0 HB3 GLN A 116 -2.787 2.004 -31.201 1.00 64.32 H new ATOM 0 HG2 GLN A 116 -3.437 2.511 -33.305 1.00 64.42 H new ATOM 0 HG3 GLN A 116 -2.161 3.709 -33.225 1.00 64.42 H new ATOM 0 HE21 GLN A 116 -2.764 0.276 -34.097 1.00 43.14 H new ATOM 0 HE22 GLN A 116 -1.605 0.229 -35.429 1.00 43.14 H new ATOM 1868 N GLN A 117 -2.232 3.626 -29.305 1.00 72.04 N ATOM 1869 CA GLN A 117 -2.911 4.581 -28.438 1.00 31.15 C ATOM 1870 C GLN A 117 -1.911 5.532 -27.788 1.00 34.25 C ATOM 1871 O GLN A 117 -2.186 6.721 -27.624 1.00 32.40 O ATOM 1872 CB GLN A 117 -3.709 3.846 -27.359 1.00 44.15 C ATOM 1873 CG GLN A 117 -5.071 4.462 -27.084 1.00 43.21 C ATOM 1874 CD GLN A 117 -6.204 3.684 -27.722 1.00 50.54 C ATOM 1875 OE1 GLN A 117 -6.818 4.139 -28.689 1.00 2.13 O ATOM 1876 NE2 GLN A 117 -6.488 2.503 -27.186 1.00 62.35 N ATOM 0 H GLN A 117 -2.371 2.649 -29.047 1.00 72.04 H new ATOM 0 HA GLN A 117 -3.596 5.166 -29.051 1.00 31.15 H new ATOM 0 HB2 GLN A 117 -3.844 2.808 -27.662 1.00 44.15 H new ATOM 0 HB3 GLN A 117 -3.131 3.836 -26.435 1.00 44.15 H new ATOM 0 HG2 GLN A 117 -5.232 4.513 -26.007 1.00 43.21 H new ATOM 0 HG3 GLN A 117 -5.084 5.486 -27.457 1.00 43.21 H new ATOM 0 HE21 GLN A 117 -5.954 2.165 -26.386 1.00 62.35 H new ATOM 0 HE22 GLN A 117 -7.240 1.934 -27.575 1.00 62.35 H new ATOM 1885 N ALA A 118 -0.750 5.000 -27.418 1.00 74.23 N ATOM 1886 CA ALA A 118 0.291 5.802 -26.787 1.00 33.21 C ATOM 1887 C ALA A 118 0.716 6.956 -27.688 1.00 1.52 C ATOM 1888 O ALA A 118 1.071 8.033 -27.208 1.00 71.31 O ATOM 1889 CB ALA A 118 1.490 4.931 -26.440 1.00 15.24 C ATOM 0 H ALA A 118 -0.507 4.017 -27.544 1.00 74.23 H new ATOM 0 HA ALA A 118 -0.116 6.224 -25.868 1.00 33.21 H new ATOM 0 HB1 ALA A 118 2.260 5.542 -25.969 1.00 15.24 H new ATOM 0 HB2 ALA A 118 1.181 4.144 -25.752 1.00 15.24 H new ATOM 0 HB3 ALA A 118 1.889 4.482 -27.350 1.00 15.24 H new ATOM 1895 N ALA A 119 0.680 6.725 -28.997 1.00 13.04 N ATOM 1896 CA ALA A 119 1.060 7.746 -29.964 1.00 4.11 C ATOM 1897 C ALA A 119 0.163 8.973 -29.848 1.00 42.32 C ATOM 1898 O ALA A 119 0.581 10.091 -30.151 1.00 32.23 O ATOM 1899 CB ALA A 119 1.006 7.182 -31.375 1.00 52.03 C ATOM 0 H ALA A 119 0.391 5.839 -29.411 1.00 13.04 H new ATOM 0 HA ALA A 119 2.083 8.054 -29.747 1.00 4.11 H new ATOM 0 HB1 ALA A 119 1.292 7.956 -32.087 1.00 52.03 H new ATOM 0 HB2 ALA A 119 1.694 6.341 -31.457 1.00 52.03 H new ATOM 0 HB3 ALA A 119 -0.007 6.845 -31.593 1.00 52.03 H new ATOM 1905 N ALA A 120 -1.073 8.758 -29.409 1.00 62.21 N ATOM 1906 CA ALA A 120 -2.029 9.847 -29.253 1.00 41.13 C ATOM 1907 C ALA A 120 -1.740 10.654 -27.992 1.00 60.21 C ATOM 1908 O ALA A 120 -2.084 11.833 -27.905 1.00 43.53 O ATOM 1909 CB ALA A 120 -3.450 9.303 -29.220 1.00 24.34 C ATOM 0 H ALA A 120 -1.436 7.839 -29.155 1.00 62.21 H new ATOM 0 HA ALA A 120 -1.927 10.512 -30.110 1.00 41.13 H new ATOM 0 HB1 ALA A 120 -4.153 10.128 -29.103 1.00 24.34 H new ATOM 0 HB2 ALA A 120 -3.660 8.777 -30.151 1.00 24.34 H new ATOM 0 HB3 ALA A 120 -3.556 8.614 -28.382 1.00 24.34 H new ATOM 1915 N ASP A 121 -1.107 10.012 -27.016 1.00 25.01 N ATOM 1916 CA ASP A 121 -0.771 10.671 -25.759 1.00 31.43 C ATOM 1917 C ASP A 121 0.726 10.953 -25.676 1.00 61.05 C ATOM 1918 O ASP A 121 1.403 10.506 -24.751 1.00 11.32 O ATOM 1919 CB ASP A 121 -1.206 9.806 -24.575 1.00 3.15 C ATOM 1920 CG ASP A 121 -2.677 9.445 -24.631 1.00 23.43 C ATOM 1921 OD1 ASP A 121 -3.457 10.221 -25.219 1.00 41.24 O ATOM 1922 OD2 ASP A 121 -3.049 8.385 -24.084 1.00 63.12 O ATOM 0 H ASP A 121 -0.816 9.036 -27.071 1.00 25.01 H new ATOM 0 HA ASP A 121 -1.303 11.621 -25.721 1.00 31.43 H new ATOM 0 HB2 ASP A 121 -0.611 8.893 -24.558 1.00 3.15 H new ATOM 0 HB3 ASP A 121 -1.000 10.337 -23.646 1.00 3.15 H new ATOM 1927 N THR A 122 1.237 11.698 -26.652 1.00 72.13 N ATOM 1928 CA THR A 122 2.653 12.039 -26.691 1.00 44.13 C ATOM 1929 C THR A 122 2.902 13.426 -26.111 1.00 33.05 C ATOM 1930 O THR A 122 2.632 14.438 -26.757 1.00 20.04 O ATOM 1931 CB THR A 122 3.203 11.990 -28.129 1.00 11.23 C ATOM 1932 OG1 THR A 122 2.134 12.156 -29.068 1.00 24.21 O ATOM 1933 CG2 THR A 122 3.917 10.672 -28.392 1.00 54.51 C ATOM 0 H THR A 122 0.691 12.076 -27.426 1.00 72.13 H new ATOM 0 HA THR A 122 3.173 11.297 -26.085 1.00 44.13 H new ATOM 0 HB THR A 122 3.920 12.802 -28.248 1.00 11.23 H new ATOM 0 HG1 THR A 122 1.754 11.280 -29.290 1.00 24.21 H new ATOM 0 HG21 THR A 122 4.296 10.661 -29.414 1.00 54.51 H new ATOM 0 HG22 THR A 122 4.748 10.563 -27.695 1.00 54.51 H new ATOM 0 HG23 THR A 122 3.219 9.846 -28.256 1.00 54.51 H new ATOM 1941 N GLY A 123 3.418 13.467 -24.886 1.00 30.31 N ATOM 1942 CA GLY A 123 3.695 14.736 -24.239 1.00 51.43 C ATOM 1943 C GLY A 123 4.820 14.639 -23.228 1.00 40.24 C ATOM 1944 O GLY A 123 4.606 14.231 -22.088 1.00 14.01 O ATOM 0 H GLY A 123 3.649 12.644 -24.330 1.00 30.31 H new ATOM 0 HA2 GLY A 123 3.954 15.477 -24.995 1.00 51.43 H new ATOM 0 HA3 GLY A 123 2.793 15.091 -23.741 1.00 51.43 H new ATOM 1948 N ASN A 124 6.025 15.013 -23.649 1.00 14.31 N ATOM 1949 CA ASN A 124 7.189 14.965 -22.773 1.00 23.43 C ATOM 1950 C ASN A 124 7.589 16.366 -22.321 1.00 31.32 C ATOM 1951 O ASN A 124 7.076 17.362 -22.827 1.00 1.13 O ATOM 1952 CB ASN A 124 8.363 14.292 -23.487 1.00 2.11 C ATOM 1953 CG ASN A 124 8.124 12.814 -23.727 1.00 22.21 C ATOM 1954 OD1 ASN A 124 8.675 11.964 -23.026 1.00 41.21 O ATOM 1955 ND2 ASN A 124 7.300 12.501 -24.719 1.00 61.14 N ATOM 0 H ASN A 124 6.220 15.352 -24.591 1.00 14.31 H new ATOM 0 HA ASN A 124 6.925 14.381 -21.892 1.00 23.43 H new ATOM 0 HB2 ASN A 124 8.537 14.789 -24.442 1.00 2.11 H new ATOM 0 HB3 ASN A 124 9.267 14.419 -22.892 1.00 2.11 H new ATOM 0 HD21 ASN A 124 7.101 11.523 -24.927 1.00 61.14 H new ATOM 0 HD22 ASN A 124 6.866 13.239 -25.274 1.00 61.14 H new ATOM 1962 N ASN A 125 8.510 16.432 -21.365 1.00 0.55 N ATOM 1963 CA ASN A 125 8.979 17.712 -20.843 1.00 43.14 C ATOM 1964 C ASN A 125 10.464 17.647 -20.499 1.00 30.02 C ATOM 1965 O ASN A 125 10.936 18.348 -19.603 1.00 74.35 O ATOM 1966 CB ASN A 125 8.174 18.108 -19.605 1.00 21.02 C ATOM 1967 CG ASN A 125 8.596 17.337 -18.369 1.00 40.12 C ATOM 1968 OD1 ASN A 125 8.752 16.116 -18.410 1.00 2.25 O ATOM 1969 ND2 ASN A 125 8.782 18.048 -17.263 1.00 3.15 N ATOM 0 H ASN A 125 8.946 15.616 -20.936 1.00 0.55 H new ATOM 0 HA ASN A 125 8.836 18.466 -21.617 1.00 43.14 H new ATOM 0 HB2 ASN A 125 8.295 19.176 -19.423 1.00 21.02 H new ATOM 0 HB3 ASN A 125 7.114 17.935 -19.793 1.00 21.02 H new ATOM 0 HD21 ASN A 125 9.066 17.584 -16.400 1.00 3.15 H new ATOM 0 HD22 ASN A 125 8.641 19.058 -17.276 1.00 3.15 H new ATOM 1976 N SER A 126 11.196 16.800 -21.216 1.00 15.41 N ATOM 1977 CA SER A 126 12.627 16.640 -20.985 1.00 41.22 C ATOM 1978 C SER A 126 13.432 17.194 -22.157 1.00 74.20 C ATOM 1979 O SER A 126 13.560 16.545 -23.196 1.00 11.35 O ATOM 1980 CB SER A 126 12.968 15.165 -20.768 1.00 43.41 C ATOM 1981 OG SER A 126 12.813 14.800 -19.408 1.00 33.00 O ATOM 0 H SER A 126 10.821 16.214 -21.962 1.00 15.41 H new ATOM 0 HA SER A 126 12.891 17.202 -20.089 1.00 41.22 H new ATOM 0 HB2 SER A 126 12.323 14.544 -21.390 1.00 43.41 H new ATOM 0 HB3 SER A 126 13.994 14.976 -21.084 1.00 43.41 H new ATOM 0 HG SER A 126 13.035 13.852 -19.296 1.00 33.00 H new ATOM 1987 N GLN A 127 13.971 18.396 -21.981 1.00 64.20 N ATOM 1988 CA GLN A 127 14.762 19.037 -23.025 1.00 3.11 C ATOM 1989 C GLN A 127 15.557 20.211 -22.461 1.00 55.22 C ATOM 1990 O GLN A 127 15.227 21.371 -22.705 1.00 41.13 O ATOM 1991 CB GLN A 127 13.857 19.517 -24.160 1.00 11.30 C ATOM 1992 CG GLN A 127 12.615 20.251 -23.678 1.00 65.34 C ATOM 1993 CD GLN A 127 12.030 21.163 -24.738 1.00 12.10 C ATOM 1994 OE1 GLN A 127 12.558 21.268 -25.845 1.00 32.05 O ATOM 1995 NE2 GLN A 127 10.930 21.830 -24.403 1.00 64.34 N ATOM 0 H GLN A 127 13.875 18.945 -21.127 1.00 64.20 H new ATOM 0 HA GLN A 127 15.463 18.301 -23.417 1.00 3.11 H new ATOM 0 HB2 GLN A 127 14.427 20.176 -24.815 1.00 11.30 H new ATOM 0 HB3 GLN A 127 13.552 18.659 -24.759 1.00 11.30 H new ATOM 0 HG2 GLN A 127 11.862 19.524 -23.374 1.00 65.34 H new ATOM 0 HG3 GLN A 127 12.865 20.839 -22.795 1.00 65.34 H new ATOM 0 HE21 GLN A 127 10.526 21.713 -23.474 1.00 64.34 H new ATOM 0 HE22 GLN A 127 10.490 22.459 -25.075 1.00 64.34 H new ATOM 2004 N VAL A 128 16.605 19.901 -21.705 1.00 64.44 N ATOM 2005 CA VAL A 128 17.447 20.930 -21.107 1.00 44.21 C ATOM 2006 C VAL A 128 18.909 20.740 -21.498 1.00 72.13 C ATOM 2007 O VAL A 128 19.814 21.036 -20.718 1.00 3.32 O ATOM 2008 CB VAL A 128 17.334 20.927 -19.572 1.00 32.51 C ATOM 2009 CG1 VAL A 128 15.967 21.433 -19.136 1.00 72.54 C ATOM 2010 CG2 VAL A 128 17.595 19.533 -19.021 1.00 62.33 C ATOM 0 H VAL A 128 16.891 18.945 -21.492 1.00 64.44 H new ATOM 0 HA VAL A 128 17.093 21.888 -21.488 1.00 44.21 H new ATOM 0 HB VAL A 128 18.090 21.600 -19.169 1.00 32.51 H new ATOM 0 HG11 VAL A 128 15.906 21.424 -18.048 1.00 72.54 H new ATOM 0 HG12 VAL A 128 15.823 22.451 -19.499 1.00 72.54 H new ATOM 0 HG13 VAL A 128 15.192 20.788 -19.549 1.00 72.54 H new ATOM 0 HG21 VAL A 128 17.511 19.550 -17.934 1.00 62.33 H new ATOM 0 HG22 VAL A 128 16.863 18.837 -19.431 1.00 62.33 H new ATOM 0 HG23 VAL A 128 18.598 19.212 -19.302 1.00 62.33 H new ATOM 2020 N SER A 129 19.132 20.243 -22.710 1.00 43.23 N ATOM 2021 CA SER A 129 20.485 20.010 -23.205 1.00 35.33 C ATOM 2022 C SER A 129 20.849 21.019 -24.289 1.00 52.22 C ATOM 2023 O SER A 129 20.069 21.265 -25.208 1.00 54.44 O ATOM 2024 CB SER A 129 20.611 18.587 -23.752 1.00 3.14 C ATOM 2025 OG SER A 129 21.921 18.080 -23.556 1.00 11.10 O ATOM 0 H SER A 129 18.394 19.994 -23.368 1.00 43.23 H new ATOM 0 HA SER A 129 21.177 20.134 -22.372 1.00 35.33 H new ATOM 0 HB2 SER A 129 19.889 17.938 -23.257 1.00 3.14 H new ATOM 0 HB3 SER A 129 20.370 18.580 -24.815 1.00 3.14 H new ATOM 0 HG SER A 129 21.976 17.169 -23.912 1.00 11.10 H new ATOM 2031 N GLN A 130 22.039 21.599 -24.173 1.00 73.43 N ATOM 2032 CA GLN A 130 22.506 22.582 -25.144 1.00 11.12 C ATOM 2033 C GLN A 130 23.824 22.141 -25.773 1.00 5.42 C ATOM 2034 O GLN A 130 24.887 22.273 -25.166 1.00 12.21 O ATOM 2035 CB GLN A 130 22.676 23.947 -24.476 1.00 44.21 C ATOM 2036 CG GLN A 130 21.378 24.726 -24.345 1.00 54.44 C ATOM 2037 CD GLN A 130 20.909 24.841 -22.908 1.00 33.21 C ATOM 2038 OE1 GLN A 130 21.713 25.018 -21.993 1.00 11.41 O ATOM 2039 NE2 GLN A 130 19.601 24.739 -22.702 1.00 1.11 N ATOM 0 H GLN A 130 22.697 21.406 -23.418 1.00 73.43 H new ATOM 0 HA GLN A 130 21.758 22.662 -25.933 1.00 11.12 H new ATOM 0 HB2 GLN A 130 23.107 23.806 -23.485 1.00 44.21 H new ATOM 0 HB3 GLN A 130 23.388 24.538 -25.052 1.00 44.21 H new ATOM 0 HG2 GLN A 130 21.515 25.725 -24.760 1.00 54.44 H new ATOM 0 HG3 GLN A 130 20.604 24.238 -24.938 1.00 54.44 H new ATOM 0 HE21 GLN A 130 18.970 24.592 -23.490 1.00 1.11 H new ATOM 0 HE22 GLN A 130 19.227 24.807 -21.756 1.00 1.11 H new ATOM 2048 N ASN A 131 23.747 21.618 -26.992 1.00 14.14 N ATOM 2049 CA ASN A 131 24.934 21.158 -27.702 1.00 61.52 C ATOM 2050 C ASN A 131 25.120 21.926 -29.007 1.00 14.12 C ATOM 2051 O ASN A 131 26.152 22.561 -29.224 1.00 64.05 O ATOM 2052 CB ASN A 131 24.833 19.658 -27.991 1.00 33.03 C ATOM 2053 CG ASN A 131 25.209 18.811 -26.789 1.00 41.44 C ATOM 2054 OD1 ASN A 131 24.345 18.236 -26.128 1.00 24.24 O ATOM 2055 ND2 ASN A 131 26.503 18.734 -26.503 1.00 11.20 N ATOM 0 H ASN A 131 22.875 21.502 -27.509 1.00 14.14 H new ATOM 0 HA ASN A 131 25.800 21.342 -27.066 1.00 61.52 H new ATOM 0 HB2 ASN A 131 23.815 19.417 -28.297 1.00 33.03 H new ATOM 0 HB3 ASN A 131 25.485 19.407 -28.827 1.00 33.03 H new ATOM 0 HD21 ASN A 131 26.817 18.180 -25.706 1.00 11.20 H new ATOM 0 HD22 ASN A 131 27.183 19.228 -27.080 1.00 11.20 H new ATOM 2062 N TYR A 132 24.114 21.864 -29.872 1.00 14.23 N ATOM 2063 CA TYR A 132 24.165 22.553 -31.156 1.00 25.40 C ATOM 2064 C TYR A 132 23.835 24.033 -30.995 1.00 32.22 C ATOM 2065 O TYR A 132 23.996 24.601 -29.916 1.00 11.04 O ATOM 2066 CB TYR A 132 23.194 21.906 -32.145 1.00 32.14 C ATOM 2067 CG TYR A 132 23.329 22.431 -33.556 1.00 72.43 C ATOM 2068 CD1 TYR A 132 22.701 23.607 -33.945 1.00 55.14 C ATOM 2069 CD2 TYR A 132 24.084 21.748 -34.502 1.00 5.34 C ATOM 2070 CE1 TYR A 132 22.820 24.088 -35.234 1.00 15.31 C ATOM 2071 CE2 TYR A 132 24.212 22.224 -35.793 1.00 13.15 C ATOM 2072 CZ TYR A 132 23.577 23.394 -36.154 1.00 61.51 C ATOM 2073 OH TYR A 132 23.700 23.871 -37.439 1.00 2.40 O ATOM 0 H TYR A 132 23.253 21.343 -29.707 1.00 14.23 H new ATOM 0 HA TYR A 132 25.180 22.467 -31.545 1.00 25.40 H new ATOM 0 HB2 TYR A 132 23.358 20.828 -32.150 1.00 32.14 H new ATOM 0 HB3 TYR A 132 22.173 22.072 -31.801 1.00 32.14 H new ATOM 0 HD1 TYR A 132 22.109 24.155 -33.227 1.00 55.14 H new ATOM 0 HD2 TYR A 132 24.579 20.830 -34.223 1.00 5.34 H new ATOM 0 HE1 TYR A 132 22.323 25.003 -35.520 1.00 15.31 H new ATOM 0 HE2 TYR A 132 24.806 21.683 -36.515 1.00 13.15 H new ATOM 0 HH TYR A 132 24.268 23.265 -37.960 1.00 2.40 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 -1.832 13.507 7.318 1.00 44.33 C HETATM 2085 O1 MYR A 1 -1.016 14.172 7.955 1.00 45.31 O HETATM 2086 C2 MYR A 1 -1.341 12.736 6.092 1.00 62.42 C HETATM 2087 C3 MYR A 1 -0.784 11.326 6.400 1.00 22.33 C HETATM 2088 C4 MYR A 1 -1.777 10.214 6.014 1.00 40.51 C HETATM 2089 C5 MYR A 1 -1.208 9.278 4.932 1.00 75.55 C HETATM 2090 C6 MYR A 1 -2.307 8.724 4.004 1.00 12.33 C HETATM 2091 C7 MYR A 1 -1.744 8.262 2.646 1.00 10.25 C HETATM 2092 C8 MYR A 1 -1.332 6.778 2.662 1.00 13.02 C HETATM 2093 C9 MYR A 1 -1.344 6.155 1.254 1.00 71.43 C HETATM 2094 C10 MYR A 1 -1.279 4.614 1.295 1.00 1.12 C HETATM 2095 C11 MYR A 1 -1.080 3.950 -0.083 1.00 41.04 C HETATM 2096 C12 MYR A 1 -1.137 2.408 -0.060 1.00 1.24 C HETATM 2097 C13 MYR A 1 0.234 1.771 -0.348 1.00 33.10 C HETATM 2098 C14 MYR A 1 0.166 0.237 -0.329 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.168 -0.100 0.652 1.00 14.12 H new HETATM 0 H142 MYR A 1 -0.536 -0.106 -1.089 1.00 14.12 H new HETATM 0 H141 MYR A 1 1.154 -0.174 -0.537 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.594 2.107 -1.321 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.956 2.112 0.394 1.00 33.10 H new HETATM 0 H122 MYR A 1 -1.493 2.074 0.914 1.00 1.24 H new HETATM 0 H121 MYR A 1 -1.859 2.062 -0.799 1.00 1.24 H new HETATM 0 H112 MYR A 1 -1.845 4.320 -0.765 1.00 41.04 H new HETATM 0 H111 MYR A 1 -0.116 4.260 -0.487 1.00 41.04 H new HETATM 0 H102 MYR A 1 -0.462 4.314 1.951 1.00 1.12 H new HETATM 0 H101 MYR A 1 -2.200 4.235 1.738 1.00 1.12 H new HETATM 0 H92 MYR A 1 -2.248 6.464 0.730 1.00 71.43 H new HETATM 0 H91 MYR A 1 -0.498 6.537 0.683 1.00 71.43 H new HETATM 0 H82 MYR A 1 -0.334 6.685 3.090 1.00 13.02 H new HETATM 0 H81 MYR A 1 -2.010 6.222 3.309 1.00 13.02 H new HETATM 0 H72 MYR A 1 -2.494 8.421 1.871 1.00 10.25 H new HETATM 0 H71 MYR A 1 -0.881 8.874 2.385 1.00 10.25 H new HETATM 0 H62 MYR A 1 -2.805 7.887 4.493 1.00 12.33 H new HETATM 0 H61 MYR A 1 -3.063 9.492 3.840 1.00 12.33 H new HETATM 0 H52 MYR A 1 -0.471 9.818 4.337 1.00 75.55 H new HETATM 0 H51 MYR A 1 -0.686 8.449 5.409 1.00 75.55 H new HETATM 0 H42 MYR A 1 -2.030 9.631 6.900 1.00 40.51 H new HETATM 0 H41 MYR A 1 -2.702 10.664 5.653 1.00 40.51 H new HETATM 0 H32 MYR A 1 0.151 11.180 5.859 1.00 22.33 H new HETATM 0 H31 MYR A 1 -0.553 11.252 7.463 1.00 22.33 H new HETATM 0 H22 MYR A 1 -2.165 12.641 5.385 1.00 62.42 H new HETATM 0 H21 MYR A 1 -0.564 13.320 5.599 1.00 62.42 H new