USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= 0.221 K(o=1.4,f=-5.7!) USER MOD Set 1.2: A 51 THR OG1 : rot -69:sc= 1.2 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 161:sc= -1.68! (180deg=-2.07!) USER MOD Set 2.2: A 49 HIS : no HE2:sc= -3.6! C(o=-4.9!,f=-8.5!) USER MOD Set 2.3: A 50 SER OG : rot 91:sc= 0.328! USER MOD Set 3.1: A 32 THR OG1 : rot 138:sc= 0.975 USER MOD Set 3.2: A 34 GLN : amide:sc= 0.845 K(o=1.8,f=0.73) USER MOD Single : A 1 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.0051) USER MOD Single : A 1 HIS N :NH3+ -123:sc= 0.16 (180deg=-0.354) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 74:sc= 0.633 USER MOD Single : A 6 HIS : no HE2:sc= -0.0478 K(o=-0.048,f=-5.1!) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 0.966 (180deg=-0.796) USER MOD Single : A 21 ASN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 27 HIS : no HE2:sc= -2.54 K(o=-2.5,f=-5.2!) USER MOD Single : A 31 SER OG : rot 110:sc= 1.3 USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= -3.12! (180deg=-5.14!) USER MOD Single : A 42 SER OG : rot 76:sc= 0.469 USER MOD Single : A 44 THR OG1 : rot 180:sc=0.000188 USER MOD Single : A 45 GLN : amide:sc= -1.12! C(o=-1.1!,f=-9.8!) USER MOD Single : A 57 LYS NZ :NH3+ 142:sc= -1.61! (180deg=-6.85!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0273 F(o=-1.3!,f=-0.027) USER MOD Single : A 71 ASN : amide:sc= -2.79! X(o=-2.8!,f=-2.8) USER MOD Single : A 74 GLN : amide:sc= -5.87! C(o=-5.9!,f=-6.1!) USER MOD Single : A 75 TYR OH : rot -150:sc= 1.09 USER MOD Single : A 80 ASN : amide:sc= 0.605 K(o=0.61,f=-0.14) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.327 F(o=-1.5!,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 8.321 -2.570 -20.456 1.00 14.16 N ATOM 2 CA HIS A 1 7.173 -1.633 -20.308 1.00 13.53 C ATOM 3 C HIS A 1 7.574 -0.566 -19.292 1.00 12.83 C ATOM 4 O HIS A 1 8.597 -0.705 -18.653 1.00 13.20 O ATOM 5 CB HIS A 1 5.932 -2.387 -19.799 1.00 14.11 C ATOM 6 CG HIS A 1 5.480 -3.515 -20.730 1.00 15.06 C ATOM 7 ND1 HIS A 1 4.626 -4.423 -20.338 1.00 15.80 N ATOM 8 CD2 HIS A 1 5.793 -3.814 -22.033 1.00 15.59 C ATOM 9 CE1 HIS A 1 4.408 -5.256 -21.332 1.00 16.73 C ATOM 10 NE2 HIS A 1 5.123 -4.877 -22.361 1.00 16.61 N ATOM 0 H1 HIS A 1 8.612 -2.608 -21.454 1.00 14.16 H new ATOM 0 H2 HIS A 1 9.117 -2.238 -19.876 1.00 14.16 H new ATOM 0 H3 HIS A 1 8.037 -3.520 -20.142 1.00 14.16 H new ATOM 0 HA HIS A 1 6.930 -1.182 -21.270 1.00 13.53 H new ATOM 0 HB2 HIS A 1 6.147 -2.803 -18.815 1.00 14.11 H new ATOM 0 HB3 HIS A 1 5.112 -1.679 -19.674 1.00 14.11 H new ATOM 0 HD2 HIS A 1 6.472 -3.265 -22.669 1.00 15.59 H new ATOM 0 HE1 HIS A 1 3.749 -6.111 -21.304 1.00 16.73 H new ATOM 0 HE2 HIS A 1 5.149 -5.340 -23.270 1.00 16.61 H new ATOM 20 N HIS A 2 6.778 0.463 -19.193 1.00 12.19 N ATOM 21 CA HIS A 2 7.063 1.563 -18.224 1.00 11.95 C ATOM 22 C HIS A 2 5.895 1.613 -17.242 1.00 12.43 C ATOM 23 O HIS A 2 4.912 0.920 -17.437 1.00 13.64 O ATOM 24 CB HIS A 2 7.154 2.909 -18.960 1.00 11.31 C ATOM 25 CG HIS A 2 8.325 3.026 -19.941 1.00 11.31 C ATOM 26 ND1 HIS A 2 8.469 4.087 -20.686 1.00 11.24 N ATOM 27 CD2 HIS A 2 9.370 2.191 -20.245 1.00 11.78 C ATOM 28 CE1 HIS A 2 9.545 3.942 -21.428 1.00 11.68 C ATOM 29 NE2 HIS A 2 10.088 2.782 -21.153 1.00 11.95 N ATOM 0 H HIS A 2 5.932 0.591 -19.748 1.00 12.19 H new ATOM 0 HA HIS A 2 8.009 1.382 -17.713 1.00 11.95 H new ATOM 0 HB2 HIS A 2 6.224 3.073 -19.505 1.00 11.31 H new ATOM 0 HB3 HIS A 2 7.236 3.706 -18.221 1.00 11.31 H new ATOM 0 HD2 HIS A 2 9.561 1.221 -19.810 1.00 11.78 H new ATOM 0 HE1 HIS A 2 9.918 4.659 -22.144 1.00 11.68 H new ATOM 0 HE2 HIS A 2 10.934 2.405 -21.581 1.00 11.95 H new ATOM 37 N SER A 3 5.993 2.444 -16.248 1.00 11.91 N ATOM 38 CA SER A 3 4.880 2.527 -15.270 1.00 12.82 C ATOM 39 C SER A 3 3.910 3.625 -15.707 1.00 12.06 C ATOM 40 O SER A 3 3.750 4.609 -15.013 1.00 12.27 O ATOM 41 CB SER A 3 5.462 2.857 -13.893 1.00 13.41 C ATOM 42 OG SER A 3 6.151 4.092 -14.088 1.00 12.98 O ATOM 0 H SER A 3 6.785 3.062 -16.071 1.00 11.91 H new ATOM 0 HA SER A 3 4.345 1.579 -15.221 1.00 12.82 H new ATOM 0 HB2 SER A 3 4.678 2.953 -13.142 1.00 13.41 H new ATOM 0 HB3 SER A 3 6.138 2.074 -13.549 1.00 13.41 H new ATOM 0 HG SER A 3 5.500 4.820 -14.172 1.00 12.98 H new ATOM 48 N GLY A 4 3.314 3.449 -16.856 1.00 11.52 N ATOM 49 CA GLY A 4 2.347 4.477 -17.361 1.00 11.04 C ATOM 50 C GLY A 4 2.544 4.731 -18.859 1.00 9.82 C ATOM 51 O GLY A 4 3.629 4.521 -19.380 1.00 9.57 O ATOM 0 H GLY A 4 3.451 2.644 -17.467 1.00 11.52 H new ATOM 0 HA2 GLY A 4 1.326 4.142 -17.177 1.00 11.04 H new ATOM 0 HA3 GLY A 4 2.481 5.408 -16.810 1.00 11.04 H new ATOM 55 N GLU A 5 1.498 5.178 -19.517 1.00 9.54 N ATOM 56 CA GLU A 5 1.589 5.430 -20.994 1.00 8.82 C ATOM 57 C GLU A 5 0.935 6.769 -21.347 1.00 8.15 C ATOM 58 O GLU A 5 1.594 7.723 -21.722 1.00 8.01 O ATOM 59 CB GLU A 5 0.856 4.305 -21.780 1.00 9.77 C ATOM 60 CG GLU A 5 0.368 3.159 -20.862 1.00 10.69 C ATOM 61 CD GLU A 5 -0.565 3.663 -19.745 1.00 11.08 C ATOM 62 OE1 GLU A 5 -1.377 4.535 -20.022 1.00 11.64 O ATOM 63 OE2 GLU A 5 -0.393 3.150 -18.656 1.00 11.15 O ATOM 0 H GLU A 5 0.590 5.378 -19.098 1.00 9.54 H new ATOM 0 HA GLU A 5 2.644 5.448 -21.267 1.00 8.82 H new ATOM 0 HB2 GLU A 5 0.003 4.732 -22.307 1.00 9.77 H new ATOM 0 HB3 GLU A 5 1.527 3.899 -22.537 1.00 9.77 H new ATOM 0 HG2 GLU A 5 -0.156 2.414 -21.461 1.00 10.69 H new ATOM 0 HG3 GLU A 5 1.229 2.661 -20.416 1.00 10.69 H new ATOM 70 N HIS A 6 -0.365 6.758 -21.283 1.00 8.16 N ATOM 71 CA HIS A 6 -1.180 7.963 -21.582 1.00 8.04 C ATOM 72 C HIS A 6 -2.201 8.164 -20.462 1.00 7.49 C ATOM 73 O HIS A 6 -2.492 9.285 -20.096 1.00 7.57 O ATOM 74 CB HIS A 6 -1.909 7.782 -22.920 1.00 9.23 C ATOM 75 CG HIS A 6 -0.986 7.413 -24.088 1.00 9.86 C ATOM 76 ND1 HIS A 6 0.292 7.686 -24.067 1.00 9.79 N ATOM 77 CD2 HIS A 6 -1.236 6.812 -25.294 1.00 10.98 C ATOM 78 CE1 HIS A 6 0.826 7.282 -25.197 1.00 10.83 C ATOM 79 NE2 HIS A 6 -0.110 6.751 -25.939 1.00 11.49 N ATOM 0 H HIS A 6 -0.912 5.936 -21.027 1.00 8.16 H new ATOM 0 HA HIS A 6 -0.530 8.836 -21.650 1.00 8.04 H new ATOM 0 HB2 HIS A 6 -2.665 7.005 -22.808 1.00 9.23 H new ATOM 0 HB3 HIS A 6 -2.435 8.705 -23.163 1.00 9.23 H new ATOM 0 HD1 HIS A 6 0.791 8.138 -23.301 1.00 9.79 H new ATOM 0 HD2 HIS A 6 -2.193 6.455 -25.644 1.00 10.98 H new ATOM 0 HE1 HIS A 6 1.867 7.374 -25.468 1.00 10.83 H new ATOM 87 N PHE A 7 -2.730 7.082 -19.933 1.00 7.52 N ATOM 88 CA PHE A 7 -3.728 7.227 -18.827 1.00 7.59 C ATOM 89 C PHE A 7 -2.923 7.507 -17.558 1.00 6.31 C ATOM 90 O PHE A 7 -2.850 6.690 -16.656 1.00 6.45 O ATOM 91 CB PHE A 7 -4.539 5.928 -18.669 1.00 8.85 C ATOM 92 CG PHE A 7 -5.763 6.203 -17.779 1.00 10.14 C ATOM 93 CD1 PHE A 7 -5.680 6.101 -16.400 1.00 10.80 C ATOM 94 CD2 PHE A 7 -6.956 6.613 -18.346 1.00 11.06 C ATOM 95 CE1 PHE A 7 -6.768 6.406 -15.606 1.00 12.28 C ATOM 96 CE2 PHE A 7 -8.044 6.915 -17.553 1.00 12.49 C ATOM 97 CZ PHE A 7 -7.951 6.813 -16.183 1.00 13.07 C ATOM 0 H PHE A 7 -2.518 6.125 -20.214 1.00 7.52 H new ATOM 0 HA PHE A 7 -4.435 8.031 -19.033 1.00 7.59 H new ATOM 0 HB2 PHE A 7 -4.858 5.563 -19.645 1.00 8.85 H new ATOM 0 HB3 PHE A 7 -3.919 5.149 -18.225 1.00 8.85 H new ATOM 0 HD1 PHE A 7 -4.756 5.780 -15.942 1.00 10.80 H new ATOM 0 HD2 PHE A 7 -7.037 6.698 -19.420 1.00 11.06 H new ATOM 0 HE1 PHE A 7 -6.691 6.325 -14.532 1.00 12.28 H new ATOM 0 HE2 PHE A 7 -8.971 7.232 -18.008 1.00 12.49 H new ATOM 0 HZ PHE A 7 -8.803 7.051 -15.563 1.00 13.07 H new ATOM 107 N GLU A 8 -2.334 8.662 -17.536 1.00 5.68 N ATOM 108 CA GLU A 8 -1.484 9.044 -16.391 1.00 4.99 C ATOM 109 C GLU A 8 -2.253 9.945 -15.432 1.00 5.06 C ATOM 110 O GLU A 8 -3.465 9.987 -15.462 1.00 5.99 O ATOM 111 CB GLU A 8 -0.247 9.738 -16.978 1.00 5.18 C ATOM 112 CG GLU A 8 0.392 8.789 -18.017 1.00 5.29 C ATOM 113 CD GLU A 8 0.817 7.488 -17.328 1.00 5.18 C ATOM 114 OE1 GLU A 8 1.872 7.534 -16.738 1.00 5.28 O ATOM 115 OE2 GLU A 8 0.044 6.536 -17.394 1.00 5.79 O ATOM 0 H GLU A 8 -2.408 9.364 -18.272 1.00 5.68 H new ATOM 0 HA GLU A 8 -1.180 8.176 -15.806 1.00 4.99 H new ATOM 0 HB2 GLU A 8 -0.527 10.681 -17.447 1.00 5.18 H new ATOM 0 HB3 GLU A 8 0.467 9.974 -16.189 1.00 5.18 H new ATOM 0 HG2 GLU A 8 -0.319 8.575 -18.815 1.00 5.29 H new ATOM 0 HG3 GLU A 8 1.256 9.267 -18.479 1.00 5.29 H new ATOM 122 N GLY A 9 -1.552 10.633 -14.585 1.00 4.66 N ATOM 123 CA GLY A 9 -2.256 11.503 -13.610 1.00 5.04 C ATOM 124 C GLY A 9 -2.760 10.626 -12.467 1.00 4.85 C ATOM 125 O GLY A 9 -2.099 10.503 -11.460 1.00 5.04 O ATOM 0 H GLY A 9 -0.534 10.633 -14.524 1.00 4.66 H new ATOM 0 HA2 GLY A 9 -1.583 12.272 -13.231 1.00 5.04 H new ATOM 0 HA3 GLY A 9 -3.088 12.017 -14.091 1.00 5.04 H new ATOM 129 N GLU A 10 -3.857 9.944 -12.695 1.00 4.63 N ATOM 130 CA GLU A 10 -4.429 9.065 -11.626 1.00 4.61 C ATOM 131 C GLU A 10 -4.428 7.617 -12.095 1.00 4.19 C ATOM 132 O GLU A 10 -4.846 7.346 -13.200 1.00 4.54 O ATOM 133 CB GLU A 10 -5.868 9.504 -11.332 1.00 5.51 C ATOM 134 CG GLU A 10 -5.837 10.844 -10.586 1.00 6.73 C ATOM 135 CD GLU A 10 -5.187 10.631 -9.225 1.00 7.14 C ATOM 136 OE1 GLU A 10 -5.870 10.083 -8.388 1.00 7.58 O ATOM 137 OE2 GLU A 10 -4.027 10.987 -9.094 1.00 7.61 O ATOM 0 H GLU A 10 -4.379 9.958 -13.571 1.00 4.63 H new ATOM 0 HA GLU A 10 -3.824 9.150 -10.723 1.00 4.61 H new ATOM 0 HB2 GLU A 10 -6.429 9.603 -12.261 1.00 5.51 H new ATOM 0 HB3 GLU A 10 -6.377 8.750 -10.731 1.00 5.51 H new ATOM 0 HG2 GLU A 10 -5.278 11.583 -11.160 1.00 6.73 H new ATOM 0 HG3 GLU A 10 -6.848 11.233 -10.465 1.00 6.73 H new ATOM 144 N LYS A 11 -3.947 6.727 -11.256 1.00 3.59 N ATOM 145 CA LYS A 11 -3.904 5.278 -11.634 1.00 3.29 C ATOM 146 C LYS A 11 -4.311 4.416 -10.427 1.00 2.73 C ATOM 147 O LYS A 11 -4.393 4.933 -9.333 1.00 2.73 O ATOM 148 CB LYS A 11 -2.468 4.923 -12.066 1.00 3.15 C ATOM 149 CG LYS A 11 -2.016 5.875 -13.189 1.00 4.11 C ATOM 150 CD LYS A 11 -1.093 5.157 -14.189 1.00 4.10 C ATOM 151 CE LYS A 11 -1.939 4.379 -15.210 1.00 4.95 C ATOM 152 NZ LYS A 11 -1.336 4.466 -16.573 1.00 5.82 N ATOM 0 H LYS A 11 -3.583 6.942 -10.328 1.00 3.59 H new ATOM 0 HA LYS A 11 -4.596 5.087 -12.454 1.00 3.29 H new ATOM 0 HB2 LYS A 11 -1.792 5.001 -11.215 1.00 3.15 H new ATOM 0 HB3 LYS A 11 -2.426 3.890 -12.412 1.00 3.15 H new ATOM 0 HG2 LYS A 11 -2.889 6.266 -13.712 1.00 4.11 H new ATOM 0 HG3 LYS A 11 -1.494 6.729 -12.757 1.00 4.11 H new ATOM 0 HD2 LYS A 11 -0.463 5.883 -14.703 1.00 4.10 H new ATOM 0 HD3 LYS A 11 -0.427 4.475 -13.659 1.00 4.10 H new ATOM 0 HE2 LYS A 11 -2.014 3.335 -14.907 1.00 4.95 H new ATOM 0 HE3 LYS A 11 -2.953 4.779 -15.230 1.00 4.95 H new ATOM 0 HZ1 LYS A 11 -2.038 4.847 -17.239 1.00 5.82 H new ATOM 0 HZ2 LYS A 11 -0.507 5.093 -16.546 1.00 5.82 H new ATOM 0 HZ3 LYS A 11 -1.043 3.518 -16.884 1.00 5.82 H new ATOM 166 N VAL A 12 -4.545 3.134 -10.606 1.00 2.40 N ATOM 167 CA VAL A 12 -4.925 2.288 -9.411 1.00 1.94 C ATOM 168 C VAL A 12 -3.926 1.126 -9.244 1.00 1.67 C ATOM 169 O VAL A 12 -3.225 0.785 -10.169 1.00 2.02 O ATOM 170 CB VAL A 12 -6.364 1.754 -9.596 1.00 2.05 C ATOM 171 CG1 VAL A 12 -6.457 0.898 -10.864 1.00 2.37 C ATOM 172 CG2 VAL A 12 -6.799 0.917 -8.378 1.00 3.19 C ATOM 0 H VAL A 12 -4.493 2.643 -11.498 1.00 2.40 H new ATOM 0 HA VAL A 12 -4.889 2.897 -8.508 1.00 1.94 H new ATOM 0 HB VAL A 12 -7.030 2.611 -9.690 1.00 2.05 H new ATOM 0 HG11 VAL A 12 -7.476 0.529 -10.980 1.00 2.37 H new ATOM 0 HG12 VAL A 12 -6.188 1.502 -11.731 1.00 2.37 H new ATOM 0 HG13 VAL A 12 -5.773 0.053 -10.784 1.00 2.37 H new ATOM 0 HG21 VAL A 12 -7.815 0.552 -8.531 1.00 3.19 H new ATOM 0 HG22 VAL A 12 -6.123 0.070 -8.259 1.00 3.19 H new ATOM 0 HG23 VAL A 12 -6.767 1.536 -7.481 1.00 3.19 H new ATOM 182 N PHE A 13 -3.884 0.542 -8.062 1.00 1.48 N ATOM 183 CA PHE A 13 -2.941 -0.602 -7.790 1.00 1.32 C ATOM 184 C PHE A 13 -3.652 -1.696 -6.971 1.00 1.15 C ATOM 185 O PHE A 13 -4.657 -1.429 -6.343 1.00 1.42 O ATOM 186 CB PHE A 13 -1.766 -0.075 -6.946 1.00 1.67 C ATOM 187 CG PHE A 13 -0.439 -0.036 -7.717 1.00 1.05 C ATOM 188 CD1 PHE A 13 -0.354 0.480 -8.996 1.00 1.49 C ATOM 189 CD2 PHE A 13 0.717 -0.454 -7.094 1.00 1.71 C ATOM 190 CE1 PHE A 13 0.865 0.581 -9.634 1.00 1.85 C ATOM 191 CE2 PHE A 13 1.933 -0.348 -7.729 1.00 1.88 C ATOM 192 CZ PHE A 13 2.010 0.169 -8.998 1.00 1.70 C ATOM 0 H PHE A 13 -4.466 0.811 -7.269 1.00 1.48 H new ATOM 0 HA PHE A 13 -2.599 -1.015 -8.739 1.00 1.32 H new ATOM 0 HB2 PHE A 13 -2.003 0.928 -6.591 1.00 1.67 H new ATOM 0 HB3 PHE A 13 -1.649 -0.705 -6.064 1.00 1.67 H new ATOM 0 HD1 PHE A 13 -1.251 0.807 -9.501 1.00 1.49 H new ATOM 0 HD2 PHE A 13 0.668 -0.869 -6.098 1.00 1.71 H new ATOM 0 HE1 PHE A 13 0.919 0.984 -10.634 1.00 1.85 H new ATOM 0 HE2 PHE A 13 2.832 -0.673 -7.226 1.00 1.88 H new ATOM 0 HZ PHE A 13 2.966 0.251 -9.494 1.00 1.70 H new ATOM 202 N ARG A 14 -3.108 -2.897 -6.962 1.00 1.11 N ATOM 203 CA ARG A 14 -3.730 -4.000 -6.143 1.00 1.42 C ATOM 204 C ARG A 14 -2.654 -4.509 -5.157 1.00 1.32 C ATOM 205 O ARG A 14 -1.769 -5.267 -5.545 1.00 1.58 O ATOM 206 CB ARG A 14 -4.205 -5.154 -7.069 1.00 1.78 C ATOM 207 CG ARG A 14 -4.631 -6.372 -6.212 1.00 2.01 C ATOM 208 CD ARG A 14 -5.245 -7.491 -7.079 1.00 2.50 C ATOM 209 NE ARG A 14 -4.337 -7.822 -8.225 1.00 3.49 N ATOM 210 CZ ARG A 14 -3.379 -8.692 -8.057 1.00 4.70 C ATOM 211 NH1 ARG A 14 -2.407 -8.383 -7.246 1.00 5.43 N ATOM 212 NH2 ARG A 14 -3.419 -9.821 -8.704 1.00 5.84 N ATOM 0 H ARG A 14 -2.270 -3.160 -7.480 1.00 1.11 H new ATOM 0 HA ARG A 14 -4.600 -3.631 -5.600 1.00 1.42 H new ATOM 0 HB2 ARG A 14 -5.041 -4.819 -7.683 1.00 1.78 H new ATOM 0 HB3 ARG A 14 -3.403 -5.439 -7.750 1.00 1.78 H new ATOM 0 HG2 ARG A 14 -3.765 -6.760 -5.676 1.00 2.01 H new ATOM 0 HG3 ARG A 14 -5.355 -6.054 -5.462 1.00 2.01 H new ATOM 0 HD2 ARG A 14 -5.413 -8.380 -6.471 1.00 2.50 H new ATOM 0 HD3 ARG A 14 -6.217 -7.175 -7.457 1.00 2.50 H new ATOM 0 HE ARG A 14 -4.467 -7.370 -9.130 1.00 3.49 H new ATOM 0 HH11 ARG A 14 -2.411 -7.484 -6.765 1.00 5.43 H new ATOM 0 HH12 ARG A 14 -1.643 -9.041 -7.092 1.00 5.43 H new ATOM 0 HH21 ARG A 14 -4.195 -10.019 -9.336 1.00 5.84 H new ATOM 0 HH22 ARG A 14 -2.675 -10.507 -8.579 1.00 5.84 H new ATOM 226 N VAL A 15 -2.749 -4.081 -3.914 1.00 1.17 N ATOM 227 CA VAL A 15 -1.742 -4.502 -2.876 1.00 1.13 C ATOM 228 C VAL A 15 -2.329 -5.621 -2.014 1.00 0.99 C ATOM 229 O VAL A 15 -3.510 -5.592 -1.711 1.00 1.12 O ATOM 230 CB VAL A 15 -1.434 -3.276 -1.988 1.00 1.33 C ATOM 231 CG1 VAL A 15 -0.447 -3.648 -0.865 1.00 1.40 C ATOM 232 CG2 VAL A 15 -0.820 -2.163 -2.856 1.00 1.66 C ATOM 0 H VAL A 15 -3.481 -3.458 -3.573 1.00 1.17 H new ATOM 0 HA VAL A 15 -0.833 -4.866 -3.355 1.00 1.13 H new ATOM 0 HB VAL A 15 -2.363 -2.931 -1.535 1.00 1.33 H new ATOM 0 HG11 VAL A 15 -0.245 -2.769 -0.252 1.00 1.40 H new ATOM 0 HG12 VAL A 15 -0.881 -4.431 -0.244 1.00 1.40 H new ATOM 0 HG13 VAL A 15 0.484 -4.007 -1.303 1.00 1.40 H new ATOM 0 HG21 VAL A 15 -0.601 -1.295 -2.234 1.00 1.66 H new ATOM 0 HG22 VAL A 15 0.102 -2.524 -3.313 1.00 1.66 H new ATOM 0 HG23 VAL A 15 -1.525 -1.880 -3.637 1.00 1.66 H new ATOM 242 N ASN A 16 -1.522 -6.582 -1.617 1.00 0.88 N ATOM 243 CA ASN A 16 -2.081 -7.673 -0.760 1.00 0.81 C ATOM 244 C ASN A 16 -1.349 -7.703 0.582 1.00 0.89 C ATOM 245 O ASN A 16 -0.303 -7.089 0.733 1.00 1.55 O ATOM 246 CB ASN A 16 -1.926 -9.031 -1.455 1.00 0.89 C ATOM 247 CG ASN A 16 -3.050 -9.947 -0.969 1.00 1.62 C ATOM 248 OD1 ASN A 16 -4.208 -9.718 -1.257 1.00 2.20 O ATOM 249 ND2 ASN A 16 -2.771 -10.976 -0.228 1.00 2.98 N ATOM 0 H ASN A 16 -0.530 -6.656 -1.843 1.00 0.88 H new ATOM 0 HA ASN A 16 -3.141 -7.478 -0.595 1.00 0.81 H new ATOM 0 HB2 ASN A 16 -1.974 -8.912 -2.537 1.00 0.89 H new ATOM 0 HB3 ASN A 16 -0.954 -9.467 -1.225 1.00 0.89 H new ATOM 0 HD21 ASN A 16 -3.520 -11.582 0.106 1.00 2.98 H new ATOM 0 HD22 ASN A 16 -1.803 -11.178 0.020 1.00 2.98 H new ATOM 256 N VAL A 17 -1.915 -8.427 1.508 1.00 0.89 N ATOM 257 CA VAL A 17 -1.304 -8.528 2.857 1.00 1.04 C ATOM 258 C VAL A 17 -1.132 -9.997 3.249 1.00 1.23 C ATOM 259 O VAL A 17 -2.098 -10.755 3.227 1.00 1.55 O ATOM 260 CB VAL A 17 -2.250 -7.847 3.861 1.00 1.11 C ATOM 261 CG1 VAL A 17 -1.630 -7.852 5.258 1.00 1.71 C ATOM 262 CG2 VAL A 17 -2.496 -6.392 3.430 1.00 1.34 C ATOM 0 H VAL A 17 -2.779 -8.955 1.384 1.00 0.89 H new ATOM 0 HA VAL A 17 -0.326 -8.047 2.857 1.00 1.04 H new ATOM 0 HB VAL A 17 -3.192 -8.395 3.882 1.00 1.11 H new ATOM 0 HG11 VAL A 17 -2.309 -7.367 5.959 1.00 1.71 H new ATOM 0 HG12 VAL A 17 -1.455 -8.880 5.575 1.00 1.71 H new ATOM 0 HG13 VAL A 17 -0.683 -7.312 5.238 1.00 1.71 H new ATOM 0 HG21 VAL A 17 -3.166 -5.910 4.142 1.00 1.34 H new ATOM 0 HG22 VAL A 17 -1.548 -5.855 3.404 1.00 1.34 H new ATOM 0 HG23 VAL A 17 -2.949 -6.378 2.438 1.00 1.34 H new ATOM 272 N GLU A 18 0.064 -10.345 3.644 1.00 1.19 N ATOM 273 CA GLU A 18 0.351 -11.727 4.073 1.00 1.41 C ATOM 274 C GLU A 18 0.500 -11.750 5.590 1.00 1.52 C ATOM 275 O GLU A 18 -0.071 -12.605 6.257 1.00 1.70 O ATOM 276 CB GLU A 18 1.666 -12.172 3.442 1.00 1.62 C ATOM 277 CG GLU A 18 1.557 -12.167 1.911 1.00 2.08 C ATOM 278 CD GLU A 18 0.304 -12.925 1.464 1.00 2.14 C ATOM 279 OE1 GLU A 18 0.158 -14.059 1.904 1.00 2.55 O ATOM 280 OE2 GLU A 18 -0.441 -12.327 0.702 1.00 2.93 O ATOM 0 H GLU A 18 0.862 -9.711 3.685 1.00 1.19 H new ATOM 0 HA GLU A 18 -0.457 -12.392 3.766 1.00 1.41 H new ATOM 0 HB2 GLU A 18 2.471 -11.508 3.757 1.00 1.62 H new ATOM 0 HB3 GLU A 18 1.923 -13.172 3.791 1.00 1.62 H new ATOM 0 HG2 GLU A 18 1.519 -11.141 1.546 1.00 2.08 H new ATOM 0 HG3 GLU A 18 2.444 -12.628 1.475 1.00 2.08 H new ATOM 287 N ASP A 19 1.210 -10.768 6.088 1.00 1.46 N ATOM 288 CA ASP A 19 1.448 -10.694 7.561 1.00 1.68 C ATOM 289 C ASP A 19 1.088 -9.293 8.024 1.00 1.25 C ATOM 290 O ASP A 19 0.376 -8.578 7.345 1.00 1.08 O ATOM 291 CB ASP A 19 2.936 -10.955 7.870 1.00 2.20 C ATOM 292 CG ASP A 19 3.411 -12.245 7.196 1.00 2.84 C ATOM 293 OD1 ASP A 19 2.891 -13.284 7.567 1.00 3.39 O ATOM 294 OD2 ASP A 19 4.287 -12.116 6.361 1.00 4.09 O ATOM 0 H ASP A 19 1.633 -10.018 5.541 1.00 1.46 H new ATOM 0 HA ASP A 19 0.843 -11.443 8.072 1.00 1.68 H new ATOM 0 HB2 ASP A 19 3.537 -10.115 7.523 1.00 2.20 H new ATOM 0 HB3 ASP A 19 3.081 -11.027 8.948 1.00 2.20 H new ATOM 299 N GLU A 20 1.601 -8.917 9.160 1.00 1.31 N ATOM 300 CA GLU A 20 1.335 -7.574 9.686 1.00 1.05 C ATOM 301 C GLU A 20 2.230 -6.613 8.921 1.00 1.04 C ATOM 302 O GLU A 20 1.896 -5.467 8.723 1.00 1.02 O ATOM 303 CB GLU A 20 1.687 -7.570 11.174 1.00 1.22 C ATOM 304 CG GLU A 20 0.807 -8.575 11.942 1.00 1.76 C ATOM 305 CD GLU A 20 1.136 -10.003 11.496 1.00 3.64 C ATOM 306 OE1 GLU A 20 2.315 -10.319 11.511 1.00 4.78 O ATOM 307 OE2 GLU A 20 0.201 -10.672 11.115 1.00 4.60 O ATOM 0 H GLU A 20 2.200 -9.499 9.746 1.00 1.31 H new ATOM 0 HA GLU A 20 0.291 -7.281 9.570 1.00 1.05 H new ATOM 0 HB2 GLU A 20 2.739 -7.825 11.305 1.00 1.22 H new ATOM 0 HB3 GLU A 20 1.548 -6.569 11.583 1.00 1.22 H new ATOM 0 HG2 GLU A 20 0.973 -8.472 13.014 1.00 1.76 H new ATOM 0 HG3 GLU A 20 -0.247 -8.362 11.761 1.00 1.76 H new ATOM 314 N ASN A 21 3.387 -7.092 8.560 1.00 1.24 N ATOM 315 CA ASN A 21 4.348 -6.257 7.781 1.00 1.39 C ATOM 316 C ASN A 21 3.623 -5.503 6.663 1.00 1.24 C ATOM 317 O ASN A 21 3.616 -4.293 6.618 1.00 1.38 O ATOM 318 CB ASN A 21 5.400 -7.190 7.160 1.00 1.63 C ATOM 319 CG ASN A 21 6.244 -6.417 6.142 1.00 2.34 C ATOM 320 OD1 ASN A 21 7.094 -5.637 6.509 1.00 3.07 O ATOM 321 ND2 ASN A 21 6.026 -6.576 4.868 1.00 2.83 N ATOM 0 H ASN A 21 3.713 -8.035 8.773 1.00 1.24 H new ATOM 0 HA ASN A 21 4.816 -5.528 8.443 1.00 1.39 H new ATOM 0 HB2 ASN A 21 6.041 -7.601 7.940 1.00 1.63 H new ATOM 0 HB3 ASN A 21 4.910 -8.033 6.674 1.00 1.63 H new ATOM 0 HD21 ASN A 21 6.570 -6.045 4.187 1.00 2.83 H new ATOM 0 HD22 ASN A 21 5.312 -7.231 4.551 1.00 2.83 H new ATOM 328 N ASP A 22 2.962 -6.266 5.856 1.00 1.03 N ATOM 329 CA ASP A 22 2.226 -5.722 4.683 1.00 1.01 C ATOM 330 C ASP A 22 1.149 -4.691 5.062 1.00 1.23 C ATOM 331 O ASP A 22 0.601 -4.001 4.212 1.00 2.07 O ATOM 332 CB ASP A 22 1.660 -6.958 3.993 1.00 0.90 C ATOM 333 CG ASP A 22 2.811 -7.936 3.754 1.00 2.16 C ATOM 334 OD1 ASP A 22 3.836 -7.469 3.281 1.00 3.05 O ATOM 335 OD2 ASP A 22 2.616 -9.065 4.154 1.00 3.29 O ATOM 0 H ASP A 22 2.896 -7.279 5.959 1.00 1.03 H new ATOM 0 HA ASP A 22 2.879 -5.149 4.024 1.00 1.01 H new ATOM 0 HB2 ASP A 22 0.890 -7.420 4.611 1.00 0.90 H new ATOM 0 HB3 ASP A 22 1.190 -6.685 3.048 1.00 0.90 H new ATOM 340 N ILE A 23 0.857 -4.611 6.329 1.00 0.78 N ATOM 341 CA ILE A 23 -0.147 -3.610 6.820 1.00 0.91 C ATOM 342 C ILE A 23 0.635 -2.461 7.454 1.00 1.04 C ATOM 343 O ILE A 23 0.521 -1.308 7.066 1.00 1.20 O ATOM 344 CB ILE A 23 -1.041 -4.241 7.896 1.00 0.93 C ATOM 345 CG1 ILE A 23 -1.622 -5.545 7.356 1.00 0.93 C ATOM 346 CG2 ILE A 23 -2.168 -3.255 8.244 1.00 1.38 C ATOM 347 CD1 ILE A 23 -2.279 -6.335 8.487 1.00 1.01 C ATOM 0 H ILE A 23 1.270 -5.197 7.055 1.00 0.78 H new ATOM 0 HA ILE A 23 -0.773 -3.269 5.995 1.00 0.91 H new ATOM 0 HB ILE A 23 -0.464 -4.456 8.796 1.00 0.93 H new ATOM 0 HG12 ILE A 23 -2.355 -5.331 6.578 1.00 0.93 H new ATOM 0 HG13 ILE A 23 -0.833 -6.141 6.896 1.00 0.93 H new ATOM 0 HG21 ILE A 23 -2.811 -3.692 9.008 1.00 1.38 H new ATOM 0 HG22 ILE A 23 -1.737 -2.327 8.620 1.00 1.38 H new ATOM 0 HG23 ILE A 23 -2.757 -3.046 7.351 1.00 1.38 H new ATOM 0 HD11 ILE A 23 -2.690 -7.264 8.091 1.00 1.01 H new ATOM 0 HD12 ILE A 23 -1.536 -6.564 9.251 1.00 1.01 H new ATOM 0 HD13 ILE A 23 -3.080 -5.742 8.927 1.00 1.01 H new ATOM 359 N SER A 24 1.404 -2.820 8.443 1.00 1.07 N ATOM 360 CA SER A 24 2.255 -1.826 9.143 1.00 1.26 C ATOM 361 C SER A 24 2.910 -0.954 8.071 1.00 1.37 C ATOM 362 O SER A 24 2.883 0.251 8.149 1.00 1.58 O ATOM 363 CB SER A 24 3.295 -2.608 9.957 1.00 1.27 C ATOM 364 OG SER A 24 2.517 -3.608 10.628 1.00 1.52 O ATOM 0 H SER A 24 1.478 -3.773 8.799 1.00 1.07 H new ATOM 0 HA SER A 24 1.693 -1.183 9.821 1.00 1.26 H new ATOM 0 HB2 SER A 24 4.053 -3.055 9.314 1.00 1.27 H new ATOM 0 HB3 SER A 24 3.816 -1.964 10.665 1.00 1.27 H new ATOM 0 HG SER A 24 3.106 -4.165 11.179 1.00 1.52 H new ATOM 370 N GLU A 25 3.445 -1.608 7.078 1.00 1.32 N ATOM 371 CA GLU A 25 4.094 -0.883 5.949 1.00 1.46 C ATOM 372 C GLU A 25 3.165 0.209 5.410 1.00 1.54 C ATOM 373 O GLU A 25 3.581 1.341 5.226 1.00 1.53 O ATOM 374 CB GLU A 25 4.399 -1.908 4.851 1.00 1.71 C ATOM 375 CG GLU A 25 5.807 -2.492 5.060 1.00 1.79 C ATOM 376 CD GLU A 25 6.860 -1.536 4.483 1.00 3.05 C ATOM 377 OE1 GLU A 25 6.628 -1.070 3.381 1.00 4.30 O ATOM 378 OE2 GLU A 25 7.854 -1.348 5.158 1.00 3.55 O ATOM 0 H GLU A 25 3.461 -2.625 6.999 1.00 1.32 H new ATOM 0 HA GLU A 25 5.012 -0.402 6.287 1.00 1.46 H new ATOM 0 HB2 GLU A 25 3.657 -2.707 4.870 1.00 1.71 H new ATOM 0 HB3 GLU A 25 4.333 -1.435 3.871 1.00 1.71 H new ATOM 0 HG2 GLU A 25 5.990 -2.650 6.123 1.00 1.79 H new ATOM 0 HG3 GLU A 25 5.882 -3.465 4.575 1.00 1.79 H new ATOM 385 N LEU A 26 1.927 -0.136 5.163 1.00 1.68 N ATOM 386 CA LEU A 26 0.980 0.861 4.650 1.00 1.84 C ATOM 387 C LEU A 26 0.816 1.981 5.676 1.00 1.73 C ATOM 388 O LEU A 26 0.704 3.141 5.320 1.00 1.94 O ATOM 389 CB LEU A 26 -0.344 0.134 4.423 1.00 1.98 C ATOM 390 CG LEU A 26 -0.284 -0.766 3.175 1.00 0.96 C ATOM 391 CD1 LEU A 26 -1.613 -1.519 3.034 1.00 2.86 C ATOM 392 CD2 LEU A 26 -0.068 0.074 1.909 1.00 1.91 C ATOM 0 H LEU A 26 1.544 -1.071 5.299 1.00 1.68 H new ATOM 0 HA LEU A 26 1.330 1.311 3.721 1.00 1.84 H new ATOM 0 HB2 LEU A 26 -0.584 -0.470 5.298 1.00 1.98 H new ATOM 0 HB3 LEU A 26 -1.146 0.863 4.309 1.00 1.98 H new ATOM 0 HG LEU A 26 0.547 -1.462 3.291 1.00 0.96 H new ATOM 0 HD11 LEU A 26 -1.577 -2.158 2.152 1.00 2.86 H new ATOM 0 HD12 LEU A 26 -1.780 -2.132 3.920 1.00 2.86 H new ATOM 0 HD13 LEU A 26 -2.428 -0.803 2.930 1.00 2.86 H new ATOM 0 HD21 LEU A 26 -0.029 -0.582 1.039 1.00 1.91 H new ATOM 0 HD22 LEU A 26 -0.892 0.779 1.795 1.00 1.91 H new ATOM 0 HD23 LEU A 26 0.870 0.623 1.992 1.00 1.91 H new ATOM 404 N HIS A 27 0.806 1.598 6.928 1.00 1.46 N ATOM 405 CA HIS A 27 0.652 2.610 8.014 1.00 1.45 C ATOM 406 C HIS A 27 1.849 3.567 8.014 1.00 1.39 C ATOM 407 O HIS A 27 1.681 4.769 7.956 1.00 1.47 O ATOM 408 CB HIS A 27 0.570 1.892 9.371 1.00 1.40 C ATOM 409 CG HIS A 27 -0.691 1.049 9.560 1.00 1.10 C ATOM 410 ND1 HIS A 27 -1.188 0.855 10.746 1.00 2.03 N ATOM 411 CD2 HIS A 27 -1.486 0.359 8.685 1.00 1.41 C ATOM 412 CE1 HIS A 27 -2.247 0.084 10.646 1.00 2.22 C ATOM 413 NE2 HIS A 27 -2.421 -0.215 9.383 1.00 1.76 N ATOM 0 H HIS A 27 0.897 0.632 7.243 1.00 1.46 H new ATOM 0 HA HIS A 27 -0.260 3.182 7.844 1.00 1.45 H new ATOM 0 HB2 HIS A 27 1.443 1.249 9.482 1.00 1.40 H new ATOM 0 HB3 HIS A 27 0.619 2.636 10.166 1.00 1.40 H new ATOM 0 HD1 HIS A 27 -0.816 1.240 11.614 1.00 2.03 H new ATOM 0 HD2 HIS A 27 -1.360 0.302 7.614 1.00 1.41 H new ATOM 0 HE1 HIS A 27 -2.868 -0.247 11.465 1.00 2.22 H new ATOM 421 N GLU A 28 3.030 2.997 8.061 1.00 1.32 N ATOM 422 CA GLU A 28 4.286 3.730 8.073 1.00 1.35 C ATOM 423 C GLU A 28 4.298 4.874 7.039 1.00 1.46 C ATOM 424 O GLU A 28 4.729 5.980 7.316 1.00 1.68 O ATOM 425 CB GLU A 28 5.290 2.627 7.744 1.00 1.36 C ATOM 426 CG GLU A 28 5.407 1.572 8.875 1.00 3.27 C ATOM 427 CD GLU A 28 6.270 2.086 10.037 1.00 3.57 C ATOM 428 OE1 GLU A 28 5.788 2.992 10.693 1.00 4.40 O ATOM 429 OE2 GLU A 28 7.358 1.545 10.214 1.00 3.88 O ATOM 0 H GLU A 28 3.153 1.985 8.093 1.00 1.32 H new ATOM 0 HA GLU A 28 4.495 4.240 9.014 1.00 1.35 H new ATOM 0 HB2 GLU A 28 4.991 2.132 6.820 1.00 1.36 H new ATOM 0 HB3 GLU A 28 6.268 3.073 7.565 1.00 1.36 H new ATOM 0 HG2 GLU A 28 4.412 1.320 9.243 1.00 3.27 H new ATOM 0 HG3 GLU A 28 5.841 0.655 8.476 1.00 3.27 H new ATOM 436 N LEU A 29 3.794 4.576 5.871 1.00 1.48 N ATOM 437 CA LEU A 29 3.758 5.590 4.770 1.00 1.66 C ATOM 438 C LEU A 29 2.823 6.757 5.129 1.00 1.93 C ATOM 439 O LEU A 29 3.081 7.887 4.737 1.00 2.28 O ATOM 440 CB LEU A 29 3.284 4.871 3.486 1.00 1.70 C ATOM 441 CG LEU A 29 4.127 5.231 2.232 1.00 1.82 C ATOM 442 CD1 LEU A 29 3.906 6.682 1.801 1.00 1.99 C ATOM 443 CD2 LEU A 29 5.624 5.043 2.494 1.00 3.81 C ATOM 0 H LEU A 29 3.402 3.666 5.628 1.00 1.48 H new ATOM 0 HA LEU A 29 4.749 6.017 4.616 1.00 1.66 H new ATOM 0 HB2 LEU A 29 3.325 3.793 3.645 1.00 1.70 H new ATOM 0 HB3 LEU A 29 2.241 5.126 3.299 1.00 1.70 H new ATOM 0 HG LEU A 29 3.797 4.557 1.441 1.00 1.82 H new ATOM 0 HD11 LEU A 29 4.512 6.897 0.921 1.00 1.99 H new ATOM 0 HD12 LEU A 29 2.853 6.834 1.562 1.00 1.99 H new ATOM 0 HD13 LEU A 29 4.195 7.350 2.612 1.00 1.99 H new ATOM 0 HD21 LEU A 29 6.186 5.303 1.597 1.00 3.81 H new ATOM 0 HD22 LEU A 29 5.933 5.688 3.316 1.00 3.81 H new ATOM 0 HD23 LEU A 29 5.820 4.003 2.756 1.00 3.81 H new ATOM 455 N ALA A 30 1.748 6.475 5.842 1.00 1.92 N ATOM 456 CA ALA A 30 0.802 7.574 6.235 1.00 2.25 C ATOM 457 C ALA A 30 1.602 8.806 6.677 1.00 2.20 C ATOM 458 O ALA A 30 1.299 9.917 6.298 1.00 2.32 O ATOM 459 CB ALA A 30 -0.097 7.093 7.381 1.00 2.68 C ATOM 0 H ALA A 30 1.490 5.542 6.164 1.00 1.92 H new ATOM 0 HA ALA A 30 0.179 7.841 5.382 1.00 2.25 H new ATOM 0 HB1 ALA A 30 -0.783 7.891 7.665 1.00 2.68 H new ATOM 0 HB2 ALA A 30 -0.668 6.223 7.055 1.00 2.68 H new ATOM 0 HB3 ALA A 30 0.520 6.822 8.238 1.00 2.68 H new ATOM 465 N SER A 31 2.602 8.555 7.480 1.00 2.34 N ATOM 466 CA SER A 31 3.496 9.644 7.987 1.00 2.52 C ATOM 467 C SER A 31 3.741 10.727 6.930 1.00 2.32 C ATOM 468 O SER A 31 3.605 11.899 7.213 1.00 2.71 O ATOM 469 CB SER A 31 4.830 9.017 8.378 1.00 2.81 C ATOM 470 OG SER A 31 4.440 7.907 9.168 1.00 2.98 O ATOM 0 H SER A 31 2.844 7.622 7.814 1.00 2.34 H new ATOM 0 HA SER A 31 3.013 10.121 8.839 1.00 2.52 H new ATOM 0 HB2 SER A 31 5.403 8.709 7.504 1.00 2.81 H new ATOM 0 HB3 SER A 31 5.454 9.713 8.939 1.00 2.81 H new ATOM 0 HG SER A 31 4.622 7.077 8.679 1.00 2.98 H new ATOM 476 N THR A 32 4.122 10.309 5.749 1.00 2.03 N ATOM 477 CA THR A 32 4.384 11.296 4.658 1.00 2.24 C ATOM 478 C THR A 32 3.293 11.186 3.588 1.00 2.21 C ATOM 479 O THR A 32 3.311 11.892 2.600 1.00 2.52 O ATOM 480 CB THR A 32 5.765 10.995 4.053 1.00 2.50 C ATOM 481 OG1 THR A 32 5.762 9.600 3.763 1.00 2.47 O ATOM 482 CG2 THR A 32 6.882 11.174 5.090 1.00 2.99 C ATOM 0 H THR A 32 4.262 9.331 5.494 1.00 2.03 H new ATOM 0 HA THR A 32 4.372 12.311 5.054 1.00 2.24 H new ATOM 0 HB THR A 32 5.935 11.652 3.200 1.00 2.50 H new ATOM 0 HG1 THR A 32 6.184 9.446 2.892 1.00 2.47 H new ATOM 0 HG21 THR A 32 7.845 10.953 4.629 1.00 2.99 H new ATOM 0 HG22 THR A 32 6.880 12.202 5.453 1.00 2.99 H new ATOM 0 HG23 THR A 32 6.715 10.494 5.925 1.00 2.99 H new ATOM 490 N ARG A 33 2.346 10.318 3.854 1.00 2.49 N ATOM 491 CA ARG A 33 1.182 10.046 2.936 1.00 2.94 C ATOM 492 C ARG A 33 1.474 10.363 1.453 1.00 1.55 C ATOM 493 O ARG A 33 0.611 10.862 0.735 1.00 1.97 O ATOM 494 CB ARG A 33 -0.017 10.884 3.416 1.00 4.80 C ATOM 495 CG ARG A 33 -1.285 10.021 3.353 1.00 6.01 C ATOM 496 CD ARG A 33 -2.541 10.896 3.486 1.00 7.70 C ATOM 497 NE ARG A 33 -2.616 11.836 2.323 1.00 7.80 N ATOM 498 CZ ARG A 33 -3.061 11.395 1.184 1.00 7.95 C ATOM 499 NH1 ARG A 33 -2.216 10.854 0.372 1.00 7.86 N ATOM 500 NH2 ARG A 33 -4.327 11.493 0.919 1.00 8.63 N ATOM 0 H ARG A 33 2.329 9.760 4.708 1.00 2.49 H new ATOM 0 HA ARG A 33 0.972 8.977 2.981 1.00 2.94 H new ATOM 0 HB2 ARG A 33 0.151 11.233 4.435 1.00 4.80 H new ATOM 0 HB3 ARG A 33 -0.132 11.769 2.791 1.00 4.80 H new ATOM 0 HG2 ARG A 33 -1.314 9.475 2.410 1.00 6.01 H new ATOM 0 HG3 ARG A 33 -1.266 9.278 4.151 1.00 6.01 H new ATOM 0 HD2 ARG A 33 -3.432 10.270 3.520 1.00 7.70 H new ATOM 0 HD3 ARG A 33 -2.510 11.457 4.420 1.00 7.70 H new ATOM 0 HE ARG A 33 -2.322 12.808 2.423 1.00 7.80 H new ATOM 0 HH11 ARG A 33 -1.232 10.783 0.632 1.00 7.86 H new ATOM 0 HH12 ARG A 33 -2.532 10.498 -0.530 1.00 7.86 H new ATOM 0 HH21 ARG A 33 -4.960 11.912 1.600 1.00 8.63 H new ATOM 0 HH22 ARG A 33 -4.690 11.151 0.029 1.00 8.63 H new ATOM 514 N GLN A 34 2.661 9.997 1.018 1.00 1.85 N ATOM 515 CA GLN A 34 3.058 10.247 -0.408 1.00 2.76 C ATOM 516 C GLN A 34 2.151 9.472 -1.370 1.00 2.56 C ATOM 517 O GLN A 34 2.092 9.764 -2.548 1.00 2.74 O ATOM 518 CB GLN A 34 4.521 9.818 -0.592 1.00 4.41 C ATOM 519 CG GLN A 34 5.439 10.826 0.119 1.00 5.11 C ATOM 520 CD GLN A 34 6.825 10.210 0.331 1.00 6.78 C ATOM 521 OE1 GLN A 34 7.020 9.426 1.238 1.00 7.68 O ATOM 522 NE2 GLN A 34 7.807 10.521 -0.470 1.00 7.68 N ATOM 0 H GLN A 34 3.370 9.537 1.589 1.00 1.85 H new ATOM 0 HA GLN A 34 2.951 11.308 -0.634 1.00 2.76 H new ATOM 0 HB2 GLN A 34 4.673 8.819 -0.184 1.00 4.41 H new ATOM 0 HB3 GLN A 34 4.767 9.770 -1.653 1.00 4.41 H new ATOM 0 HG2 GLN A 34 5.523 11.736 -0.475 1.00 5.11 H new ATOM 0 HG3 GLN A 34 5.007 11.110 1.079 1.00 5.11 H new ATOM 0 HE21 GLN A 34 7.653 11.178 -1.234 1.00 7.68 H new ATOM 0 HE22 GLN A 34 8.729 10.107 -0.332 1.00 7.68 H new ATOM 531 N ILE A 35 1.472 8.505 -0.826 1.00 2.33 N ATOM 532 CA ILE A 35 0.536 7.669 -1.625 1.00 2.18 C ATOM 533 C ILE A 35 -0.870 7.910 -1.113 1.00 2.02 C ATOM 534 O ILE A 35 -1.068 8.702 -0.208 1.00 2.11 O ATOM 535 CB ILE A 35 0.869 6.178 -1.436 1.00 2.14 C ATOM 536 CG1 ILE A 35 0.858 5.787 0.059 1.00 2.06 C ATOM 537 CG2 ILE A 35 2.250 5.873 -2.000 1.00 2.71 C ATOM 538 CD1 ILE A 35 -0.545 5.368 0.511 1.00 1.92 C ATOM 0 H ILE A 35 1.527 8.253 0.161 1.00 2.33 H new ATOM 0 HA ILE A 35 0.623 7.931 -2.680 1.00 2.18 H new ATOM 0 HB ILE A 35 0.108 5.604 -1.964 1.00 2.14 H new ATOM 0 HG12 ILE A 35 1.557 4.968 0.229 1.00 2.06 H new ATOM 0 HG13 ILE A 35 1.201 6.629 0.661 1.00 2.06 H new ATOM 0 HG21 ILE A 35 2.475 4.816 -1.861 1.00 2.71 H new ATOM 0 HG22 ILE A 35 2.269 6.111 -3.064 1.00 2.71 H new ATOM 0 HG23 ILE A 35 2.996 6.474 -1.480 1.00 2.71 H new ATOM 0 HD11 ILE A 35 -0.522 5.098 1.567 1.00 1.92 H new ATOM 0 HD12 ILE A 35 -1.238 6.197 0.363 1.00 1.92 H new ATOM 0 HD13 ILE A 35 -0.875 4.510 -0.075 1.00 1.92 H new ATOM 550 N ASP A 36 -1.810 7.232 -1.700 1.00 2.03 N ATOM 551 CA ASP A 36 -3.211 7.371 -1.252 1.00 1.96 C ATOM 552 C ASP A 36 -3.856 5.989 -1.242 1.00 1.69 C ATOM 553 O ASP A 36 -3.288 5.026 -1.725 1.00 1.80 O ATOM 554 CB ASP A 36 -3.963 8.304 -2.199 1.00 2.12 C ATOM 555 CG ASP A 36 -4.462 9.505 -1.414 1.00 2.90 C ATOM 556 OD1 ASP A 36 -5.241 9.284 -0.518 1.00 3.87 O ATOM 557 OD2 ASP A 36 -4.015 10.588 -1.728 1.00 3.81 O ATOM 0 H ASP A 36 -1.664 6.585 -2.475 1.00 2.03 H new ATOM 0 HA ASP A 36 -3.247 7.797 -0.249 1.00 1.96 H new ATOM 0 HB2 ASP A 36 -3.308 8.628 -3.008 1.00 2.12 H new ATOM 0 HB3 ASP A 36 -4.801 7.779 -2.658 1.00 2.12 H new ATOM 562 N PHE A 37 -5.056 5.923 -0.750 1.00 1.47 N ATOM 563 CA PHE A 37 -5.771 4.609 -0.679 1.00 1.23 C ATOM 564 C PHE A 37 -7.145 4.733 -1.357 1.00 1.31 C ATOM 565 O PHE A 37 -7.422 5.745 -1.975 1.00 1.98 O ATOM 566 CB PHE A 37 -5.930 4.216 0.794 1.00 1.20 C ATOM 567 CG PHE A 37 -4.567 3.877 1.430 1.00 1.15 C ATOM 568 CD1 PHE A 37 -3.759 4.870 1.955 1.00 1.48 C ATOM 569 CD2 PHE A 37 -4.187 2.555 1.574 1.00 1.42 C ATOM 570 CE1 PHE A 37 -2.595 4.543 2.624 1.00 1.57 C ATOM 571 CE2 PHE A 37 -3.026 2.230 2.244 1.00 1.65 C ATOM 572 CZ PHE A 37 -2.228 3.221 2.766 1.00 1.51 C ATOM 0 H PHE A 37 -5.581 6.721 -0.391 1.00 1.47 H new ATOM 0 HA PHE A 37 -5.200 3.839 -1.198 1.00 1.23 H new ATOM 0 HB2 PHE A 37 -6.397 5.034 1.343 1.00 1.20 H new ATOM 0 HB3 PHE A 37 -6.596 3.357 0.874 1.00 1.20 H new ATOM 0 HD1 PHE A 37 -4.040 5.907 1.841 1.00 1.48 H new ATOM 0 HD2 PHE A 37 -4.804 1.772 1.159 1.00 1.42 H new ATOM 0 HE1 PHE A 37 -1.972 5.323 3.036 1.00 1.57 H new ATOM 0 HE2 PHE A 37 -2.743 1.194 2.359 1.00 1.65 H new ATOM 0 HZ PHE A 37 -1.317 2.965 3.286 1.00 1.51 H new ATOM 582 N TRP A 38 -7.965 3.719 -1.288 1.00 1.17 N ATOM 583 CA TRP A 38 -9.301 3.842 -1.952 1.00 1.31 C ATOM 584 C TRP A 38 -10.316 2.892 -1.319 1.00 1.22 C ATOM 585 O TRP A 38 -11.275 3.319 -0.700 1.00 1.52 O ATOM 586 CB TRP A 38 -9.133 3.512 -3.438 1.00 1.38 C ATOM 587 CG TRP A 38 -10.363 3.696 -4.334 1.00 1.55 C ATOM 588 CD1 TRP A 38 -11.659 3.872 -3.931 1.00 2.37 C ATOM 589 CD2 TRP A 38 -10.443 3.670 -5.705 1.00 1.84 C ATOM 590 NE1 TRP A 38 -12.445 3.943 -4.964 1.00 3.07 N ATOM 591 CE2 TRP A 38 -11.766 3.832 -6.083 1.00 2.69 C ATOM 592 CE3 TRP A 38 -9.445 3.484 -6.644 1.00 1.98 C ATOM 593 CZ2 TRP A 38 -12.123 3.804 -7.408 1.00 3.24 C ATOM 594 CZ3 TRP A 38 -9.820 3.456 -7.982 1.00 2.46 C ATOM 595 CH2 TRP A 38 -11.145 3.620 -8.361 1.00 2.96 C ATOM 0 H TRP A 38 -7.779 2.834 -0.816 1.00 1.17 H new ATOM 0 HA TRP A 38 -9.674 4.859 -1.828 1.00 1.31 H new ATOM 0 HB2 TRP A 38 -8.329 4.132 -3.834 1.00 1.38 H new ATOM 0 HB3 TRP A 38 -8.806 2.476 -3.520 1.00 1.38 H new ATOM 0 HD1 TRP A 38 -11.982 3.942 -2.903 1.00 2.37 H new ATOM 0 HE1 TRP A 38 -13.456 4.068 -4.912 1.00 3.07 H new ATOM 0 HE3 TRP A 38 -8.413 3.365 -6.349 1.00 1.98 H new ATOM 0 HZ2 TRP A 38 -13.156 3.924 -7.700 1.00 3.24 H new ATOM 0 HZ3 TRP A 38 -9.067 3.304 -8.741 1.00 2.46 H new ATOM 0 HH2 TRP A 38 -11.411 3.603 -9.408 1.00 2.96 H new ATOM 606 N LYS A 39 -10.081 1.617 -1.498 1.00 0.99 N ATOM 607 CA LYS A 39 -11.007 0.590 -0.931 1.00 1.12 C ATOM 608 C LYS A 39 -10.178 -0.416 -0.103 1.00 1.01 C ATOM 609 O LYS A 39 -9.782 -1.448 -0.609 1.00 1.55 O ATOM 610 CB LYS A 39 -11.741 -0.166 -2.064 1.00 1.46 C ATOM 611 CG LYS A 39 -11.840 0.678 -3.346 1.00 2.48 C ATOM 612 CD LYS A 39 -12.383 -0.229 -4.462 1.00 2.86 C ATOM 613 CE LYS A 39 -12.359 0.468 -5.832 1.00 4.10 C ATOM 614 NZ LYS A 39 -10.986 0.923 -6.195 1.00 4.51 N ATOM 0 H LYS A 39 -9.285 1.242 -2.014 1.00 0.99 H new ATOM 0 HA LYS A 39 -11.750 1.083 -0.304 1.00 1.12 H new ATOM 0 HB2 LYS A 39 -11.214 -1.095 -2.281 1.00 1.46 H new ATOM 0 HB3 LYS A 39 -12.742 -0.438 -1.730 1.00 1.46 H new ATOM 0 HG2 LYS A 39 -12.500 1.532 -3.192 1.00 2.48 H new ATOM 0 HG3 LYS A 39 -10.862 1.076 -3.618 1.00 2.48 H new ATOM 0 HD2 LYS A 39 -11.789 -1.142 -4.509 1.00 2.86 H new ATOM 0 HD3 LYS A 39 -13.404 -0.525 -4.224 1.00 2.86 H new ATOM 0 HE2 LYS A 39 -12.729 -0.217 -6.595 1.00 4.10 H new ATOM 0 HE3 LYS A 39 -13.034 1.324 -5.817 1.00 4.10 H new ATOM 0 HZ1 LYS A 39 -11.045 1.818 -6.722 1.00 4.51 H new ATOM 0 HZ2 LYS A 39 -10.428 1.067 -5.329 1.00 4.51 H new ATOM 0 HZ3 LYS A 39 -10.526 0.202 -6.787 1.00 4.51 H new ATOM 628 N PRO A 40 -9.884 -0.094 1.132 1.00 1.35 N ATOM 629 CA PRO A 40 -10.433 1.075 1.842 1.00 2.07 C ATOM 630 C PRO A 40 -9.608 2.336 1.588 1.00 2.54 C ATOM 631 O PRO A 40 -8.643 2.343 0.837 1.00 3.30 O ATOM 632 CB PRO A 40 -10.353 0.684 3.324 1.00 2.71 C ATOM 633 CG PRO A 40 -9.523 -0.619 3.413 1.00 2.41 C ATOM 634 CD PRO A 40 -9.045 -0.951 1.991 1.00 1.70 C ATOM 0 HA PRO A 40 -11.444 1.309 1.509 1.00 2.07 H new ATOM 0 HB2 PRO A 40 -9.885 1.478 3.906 1.00 2.71 H new ATOM 0 HB3 PRO A 40 -11.351 0.533 3.736 1.00 2.71 H new ATOM 0 HG2 PRO A 40 -8.674 -0.489 4.084 1.00 2.41 H new ATOM 0 HG3 PRO A 40 -10.126 -1.433 3.816 1.00 2.41 H new ATOM 0 HD2 PRO A 40 -7.985 -0.731 1.863 1.00 1.70 H new ATOM 0 HD3 PRO A 40 -9.182 -2.007 1.759 1.00 1.70 H new ATOM 642 N ASP A 41 -10.039 3.357 2.252 1.00 2.72 N ATOM 643 CA ASP A 41 -9.388 4.692 2.186 1.00 3.40 C ATOM 644 C ASP A 41 -8.503 4.826 3.431 1.00 2.72 C ATOM 645 O ASP A 41 -7.419 5.382 3.386 1.00 3.23 O ATOM 646 CB ASP A 41 -10.496 5.751 2.214 1.00 4.47 C ATOM 647 CG ASP A 41 -11.251 5.661 3.542 1.00 4.45 C ATOM 648 OD1 ASP A 41 -11.772 4.585 3.798 1.00 4.07 O ATOM 649 OD2 ASP A 41 -11.215 6.642 4.252 1.00 5.52 O ATOM 0 H ASP A 41 -10.852 3.324 2.867 1.00 2.72 H new ATOM 0 HA ASP A 41 -8.787 4.815 1.285 1.00 3.40 H new ATOM 0 HB2 ASP A 41 -10.067 6.746 2.094 1.00 4.47 H new ATOM 0 HB3 ASP A 41 -11.183 5.597 1.381 1.00 4.47 H new ATOM 654 N SER A 42 -9.023 4.293 4.512 1.00 2.10 N ATOM 655 CA SER A 42 -8.303 4.305 5.820 1.00 1.70 C ATOM 656 C SER A 42 -7.759 2.889 6.087 1.00 1.39 C ATOM 657 O SER A 42 -8.508 1.927 6.029 1.00 2.11 O ATOM 658 CB SER A 42 -9.303 4.694 6.919 1.00 1.91 C ATOM 659 OG SER A 42 -9.721 6.017 6.581 1.00 2.96 O ATOM 0 H SER A 42 -9.937 3.841 4.540 1.00 2.10 H new ATOM 0 HA SER A 42 -7.478 5.018 5.806 1.00 1.70 H new ATOM 0 HB2 SER A 42 -10.149 4.007 6.945 1.00 1.91 H new ATOM 0 HB3 SER A 42 -8.838 4.666 7.905 1.00 1.91 H new ATOM 0 HG SER A 42 -10.350 5.980 5.831 1.00 2.96 H new ATOM 665 N VAL A 43 -6.486 2.788 6.407 1.00 1.05 N ATOM 666 CA VAL A 43 -5.869 1.441 6.660 1.00 1.14 C ATOM 667 C VAL A 43 -5.786 1.186 8.177 1.00 1.11 C ATOM 668 O VAL A 43 -4.733 1.064 8.775 1.00 1.40 O ATOM 669 CB VAL A 43 -4.482 1.417 5.959 1.00 1.62 C ATOM 670 CG1 VAL A 43 -3.549 2.513 6.506 1.00 1.83 C ATOM 671 CG2 VAL A 43 -3.807 0.044 6.114 1.00 2.38 C ATOM 0 H VAL A 43 -5.849 3.579 6.504 1.00 1.05 H new ATOM 0 HA VAL A 43 -6.474 0.634 6.247 1.00 1.14 H new ATOM 0 HB VAL A 43 -4.660 1.610 4.901 1.00 1.62 H new ATOM 0 HG11 VAL A 43 -2.589 2.464 5.991 1.00 1.83 H new ATOM 0 HG12 VAL A 43 -4.000 3.491 6.340 1.00 1.83 H new ATOM 0 HG13 VAL A 43 -3.396 2.361 7.574 1.00 1.83 H new ATOM 0 HG21 VAL A 43 -2.839 0.056 5.614 1.00 2.38 H new ATOM 0 HG22 VAL A 43 -3.666 -0.175 7.172 1.00 2.38 H new ATOM 0 HG23 VAL A 43 -4.437 -0.724 5.666 1.00 2.38 H new ATOM 681 N THR A 44 -6.950 1.125 8.764 1.00 1.67 N ATOM 682 CA THR A 44 -7.046 0.884 10.235 1.00 1.81 C ATOM 683 C THR A 44 -7.875 -0.371 10.572 1.00 1.89 C ATOM 684 O THR A 44 -8.145 -0.627 11.729 1.00 2.41 O ATOM 685 CB THR A 44 -7.684 2.126 10.873 1.00 1.94 C ATOM 686 OG1 THR A 44 -8.844 2.397 10.090 1.00 2.08 O ATOM 687 CG2 THR A 44 -6.802 3.364 10.684 1.00 2.14 C ATOM 0 H THR A 44 -7.845 1.232 8.286 1.00 1.67 H new ATOM 0 HA THR A 44 -6.045 0.708 10.630 1.00 1.81 H new ATOM 0 HB THR A 44 -7.857 1.942 11.933 1.00 1.94 H new ATOM 0 HG1 THR A 44 -9.304 3.185 10.448 1.00 2.08 H new ATOM 0 HG21 THR A 44 -7.282 4.226 11.147 1.00 2.14 H new ATOM 0 HG22 THR A 44 -5.832 3.194 11.151 1.00 2.14 H new ATOM 0 HG23 THR A 44 -6.664 3.553 9.619 1.00 2.14 H new ATOM 695 N GLN A 45 -8.302 -1.098 9.569 1.00 1.93 N ATOM 696 CA GLN A 45 -9.105 -2.344 9.832 1.00 2.14 C ATOM 697 C GLN A 45 -8.674 -3.478 8.889 1.00 2.02 C ATOM 698 O GLN A 45 -9.392 -4.446 8.691 1.00 2.37 O ATOM 699 CB GLN A 45 -10.610 -2.037 9.659 1.00 2.53 C ATOM 700 CG GLN A 45 -10.998 -1.873 8.178 1.00 3.94 C ATOM 701 CD GLN A 45 -10.146 -0.786 7.525 1.00 4.35 C ATOM 702 OE1 GLN A 45 -9.039 -1.026 7.090 1.00 5.67 O ATOM 703 NE2 GLN A 45 -10.598 0.425 7.463 1.00 4.33 N ATOM 0 H GLN A 45 -8.134 -0.889 8.585 1.00 1.93 H new ATOM 0 HA GLN A 45 -8.923 -2.672 10.856 1.00 2.14 H new ATOM 0 HB2 GLN A 45 -11.197 -2.842 10.101 1.00 2.53 H new ATOM 0 HB3 GLN A 45 -10.859 -1.125 10.202 1.00 2.53 H new ATOM 0 HG2 GLN A 45 -10.860 -2.818 7.652 1.00 3.94 H new ATOM 0 HG3 GLN A 45 -12.054 -1.614 8.098 1.00 3.94 H new ATOM 0 HE21 GLN A 45 -11.527 0.642 7.825 1.00 4.33 H new ATOM 0 HE22 GLN A 45 -10.026 1.163 7.052 1.00 4.33 H new ATOM 712 N ILE A 46 -7.493 -3.353 8.355 1.00 1.69 N ATOM 713 CA ILE A 46 -7.000 -4.408 7.429 1.00 1.60 C ATOM 714 C ILE A 46 -6.145 -5.390 8.230 1.00 1.43 C ATOM 715 O ILE A 46 -5.360 -4.991 9.063 1.00 1.40 O ATOM 716 CB ILE A 46 -6.177 -3.741 6.294 1.00 1.51 C ATOM 717 CG1 ILE A 46 -7.065 -2.954 5.336 1.00 1.68 C ATOM 718 CG2 ILE A 46 -5.330 -4.774 5.523 1.00 1.70 C ATOM 719 CD1 ILE A 46 -8.068 -3.887 4.712 1.00 2.88 C ATOM 0 H ILE A 46 -6.854 -2.575 8.517 1.00 1.69 H new ATOM 0 HA ILE A 46 -7.829 -4.951 6.975 1.00 1.60 H new ATOM 0 HB ILE A 46 -5.497 -3.037 6.773 1.00 1.51 H new ATOM 0 HG12 ILE A 46 -7.578 -2.154 5.870 1.00 1.68 H new ATOM 0 HG13 ILE A 46 -6.458 -2.483 4.563 1.00 1.68 H new ATOM 0 HG21 ILE A 46 -4.768 -4.270 4.737 1.00 1.70 H new ATOM 0 HG22 ILE A 46 -4.637 -5.261 6.209 1.00 1.70 H new ATOM 0 HG23 ILE A 46 -5.986 -5.522 5.078 1.00 1.70 H new ATOM 0 HD11 ILE A 46 -8.706 -3.330 4.026 1.00 2.88 H new ATOM 0 HD12 ILE A 46 -7.544 -4.671 4.165 1.00 2.88 H new ATOM 0 HD13 ILE A 46 -8.681 -4.337 5.493 1.00 2.88 H new ATOM 731 N LYS A 47 -6.355 -6.652 7.969 1.00 1.48 N ATOM 732 CA LYS A 47 -5.591 -7.725 8.673 1.00 1.47 C ATOM 733 C LYS A 47 -4.820 -8.544 7.617 1.00 1.35 C ATOM 734 O LYS A 47 -4.993 -8.325 6.427 1.00 1.32 O ATOM 735 CB LYS A 47 -6.595 -8.616 9.437 1.00 1.82 C ATOM 736 CG LYS A 47 -7.741 -9.023 8.500 1.00 3.09 C ATOM 737 CD LYS A 47 -8.353 -10.363 8.947 1.00 4.69 C ATOM 738 CE LYS A 47 -9.071 -10.999 7.750 1.00 6.49 C ATOM 739 NZ LYS A 47 -8.081 -11.210 6.653 1.00 7.50 N ATOM 0 H LYS A 47 -7.034 -6.991 7.287 1.00 1.48 H new ATOM 0 HA LYS A 47 -4.879 -7.306 9.384 1.00 1.47 H new ATOM 0 HB2 LYS A 47 -6.091 -9.504 9.818 1.00 1.82 H new ATOM 0 HB3 LYS A 47 -6.990 -8.079 10.299 1.00 1.82 H new ATOM 0 HG2 LYS A 47 -8.508 -8.249 8.497 1.00 3.09 H new ATOM 0 HG3 LYS A 47 -7.370 -9.108 7.478 1.00 3.09 H new ATOM 0 HD2 LYS A 47 -7.574 -11.029 9.318 1.00 4.69 H new ATOM 0 HD3 LYS A 47 -9.053 -10.204 9.767 1.00 4.69 H new ATOM 0 HE2 LYS A 47 -9.521 -11.948 8.040 1.00 6.49 H new ATOM 0 HE3 LYS A 47 -9.881 -10.354 7.409 1.00 6.49 H new ATOM 0 HZ1 LYS A 47 -8.452 -11.911 5.980 1.00 7.50 H new ATOM 0 HZ2 LYS A 47 -7.914 -10.310 6.159 1.00 7.50 H new ATOM 0 HZ3 LYS A 47 -7.186 -11.556 7.055 1.00 7.50 H new ATOM 753 N PRO A 48 -3.982 -9.467 8.048 1.00 1.40 N ATOM 754 CA PRO A 48 -3.315 -10.418 7.115 1.00 1.42 C ATOM 755 C PRO A 48 -4.330 -11.190 6.263 1.00 1.49 C ATOM 756 O PRO A 48 -5.514 -11.118 6.512 1.00 1.54 O ATOM 757 CB PRO A 48 -2.509 -11.334 8.041 1.00 1.67 C ATOM 758 CG PRO A 48 -2.293 -10.518 9.327 1.00 1.75 C ATOM 759 CD PRO A 48 -3.519 -9.608 9.456 1.00 1.58 C ATOM 0 HA PRO A 48 -2.683 -9.916 6.383 1.00 1.42 H new ATOM 0 HB2 PRO A 48 -3.048 -12.259 8.247 1.00 1.67 H new ATOM 0 HB3 PRO A 48 -1.558 -11.614 7.588 1.00 1.67 H new ATOM 0 HG2 PRO A 48 -2.199 -11.172 10.194 1.00 1.75 H new ATOM 0 HG3 PRO A 48 -1.376 -9.932 9.269 1.00 1.75 H new ATOM 0 HD2 PRO A 48 -4.286 -10.052 10.090 1.00 1.58 H new ATOM 0 HD3 PRO A 48 -3.262 -8.644 9.895 1.00 1.58 H new ATOM 767 N HIS A 49 -3.843 -11.900 5.278 1.00 1.59 N ATOM 768 CA HIS A 49 -4.728 -12.700 4.361 1.00 1.76 C ATOM 769 C HIS A 49 -5.932 -11.862 3.895 1.00 1.68 C ATOM 770 O HIS A 49 -7.061 -12.328 3.803 1.00 1.90 O ATOM 771 CB HIS A 49 -5.156 -14.012 5.075 1.00 2.08 C ATOM 772 CG HIS A 49 -6.385 -13.965 6.003 1.00 1.49 C ATOM 773 ND1 HIS A 49 -7.595 -13.986 5.514 1.00 2.92 N ATOM 774 CD2 HIS A 49 -6.520 -14.040 7.366 1.00 1.93 C ATOM 775 CE1 HIS A 49 -8.457 -14.095 6.500 1.00 4.06 C ATOM 776 NE2 HIS A 49 -7.793 -14.119 7.629 1.00 3.33 N ATOM 0 H HIS A 49 -2.848 -11.964 5.062 1.00 1.59 H new ATOM 0 HA HIS A 49 -4.177 -12.972 3.461 1.00 1.76 H new ATOM 0 HB2 HIS A 49 -5.346 -14.763 4.308 1.00 2.08 H new ATOM 0 HB3 HIS A 49 -4.308 -14.364 5.662 1.00 2.08 H new ATOM 0 HD1 HIS A 49 -7.834 -13.927 4.524 1.00 2.92 H new ATOM 0 HD2 HIS A 49 -5.717 -14.035 8.089 1.00 1.93 H new ATOM 0 HE1 HIS A 49 -9.530 -14.155 6.397 1.00 4.06 H new ATOM 784 N SER A 50 -5.626 -10.631 3.563 1.00 1.49 N ATOM 785 CA SER A 50 -6.673 -9.687 3.078 1.00 1.52 C ATOM 786 C SER A 50 -6.143 -8.960 1.846 1.00 1.44 C ATOM 787 O SER A 50 -4.945 -8.939 1.601 1.00 2.05 O ATOM 788 CB SER A 50 -6.980 -8.646 4.157 1.00 1.55 C ATOM 789 OG SER A 50 -7.115 -9.403 5.349 1.00 2.69 O ATOM 0 H SER A 50 -4.685 -10.239 3.609 1.00 1.49 H new ATOM 0 HA SER A 50 -7.579 -10.245 2.840 1.00 1.52 H new ATOM 0 HB2 SER A 50 -6.178 -7.912 4.241 1.00 1.55 H new ATOM 0 HB3 SER A 50 -7.893 -8.096 3.930 1.00 1.55 H new ATOM 0 HG SER A 50 -6.246 -9.466 5.797 1.00 2.69 H new ATOM 795 N THR A 51 -7.033 -8.346 1.127 1.00 1.35 N ATOM 796 CA THR A 51 -6.612 -7.596 -0.084 1.00 1.33 C ATOM 797 C THR A 51 -7.181 -6.183 0.005 1.00 1.44 C ATOM 798 O THR A 51 -8.233 -5.990 0.587 1.00 1.66 O ATOM 799 CB THR A 51 -7.184 -8.306 -1.311 1.00 1.59 C ATOM 800 OG1 THR A 51 -6.951 -9.691 -1.075 1.00 2.61 O ATOM 801 CG2 THR A 51 -6.391 -7.979 -2.579 1.00 1.59 C ATOM 0 H THR A 51 -8.034 -8.330 1.324 1.00 1.35 H new ATOM 0 HA THR A 51 -5.526 -7.550 -0.159 1.00 1.33 H new ATOM 0 HB THR A 51 -8.225 -8.016 -1.449 1.00 1.59 H new ATOM 0 HG1 THR A 51 -5.990 -9.874 -1.125 1.00 2.61 H new ATOM 0 HG21 THR A 51 -6.830 -8.503 -3.428 1.00 1.59 H new ATOM 0 HG22 THR A 51 -6.422 -6.905 -2.761 1.00 1.59 H new ATOM 0 HG23 THR A 51 -5.356 -8.296 -2.453 1.00 1.59 H new ATOM 809 N VAL A 52 -6.486 -5.228 -0.543 1.00 1.43 N ATOM 810 CA VAL A 52 -7.000 -3.838 -0.500 1.00 1.64 C ATOM 811 C VAL A 52 -6.826 -3.193 -1.860 1.00 1.58 C ATOM 812 O VAL A 52 -6.007 -3.620 -2.658 1.00 1.73 O ATOM 813 CB VAL A 52 -6.220 -2.999 0.531 1.00 1.74 C ATOM 814 CG1 VAL A 52 -6.437 -3.554 1.942 1.00 3.10 C ATOM 815 CG2 VAL A 52 -4.721 -3.013 0.200 1.00 1.88 C ATOM 0 H VAL A 52 -5.590 -5.351 -1.015 1.00 1.43 H new ATOM 0 HA VAL A 52 -8.053 -3.873 -0.220 1.00 1.64 H new ATOM 0 HB VAL A 52 -6.588 -1.974 0.490 1.00 1.74 H new ATOM 0 HG11 VAL A 52 -5.880 -2.952 2.660 1.00 3.10 H new ATOM 0 HG12 VAL A 52 -7.499 -3.521 2.187 1.00 3.10 H new ATOM 0 HG13 VAL A 52 -6.087 -4.585 1.985 1.00 3.10 H new ATOM 0 HG21 VAL A 52 -4.180 -2.417 0.935 1.00 1.88 H new ATOM 0 HG22 VAL A 52 -4.353 -4.039 0.223 1.00 1.88 H new ATOM 0 HG23 VAL A 52 -4.564 -2.593 -0.794 1.00 1.88 H new ATOM 825 N ASP A 53 -7.580 -2.162 -2.057 1.00 1.44 N ATOM 826 CA ASP A 53 -7.503 -1.395 -3.314 1.00 1.46 C ATOM 827 C ASP A 53 -6.807 -0.095 -2.908 1.00 1.31 C ATOM 828 O ASP A 53 -7.367 0.750 -2.211 1.00 1.22 O ATOM 829 CB ASP A 53 -8.916 -1.129 -3.824 1.00 1.67 C ATOM 830 CG ASP A 53 -8.840 -0.353 -5.125 1.00 2.27 C ATOM 831 OD1 ASP A 53 -8.584 0.825 -5.017 1.00 3.60 O ATOM 832 OD2 ASP A 53 -9.130 -0.943 -6.149 1.00 2.93 O ATOM 0 H ASP A 53 -8.262 -1.811 -1.384 1.00 1.44 H new ATOM 0 HA ASP A 53 -6.969 -1.909 -4.113 1.00 1.46 H new ATOM 0 HB2 ASP A 53 -9.443 -2.071 -3.979 1.00 1.67 H new ATOM 0 HB3 ASP A 53 -9.483 -0.565 -3.083 1.00 1.67 H new ATOM 837 N PHE A 54 -5.587 -0.016 -3.344 1.00 1.58 N ATOM 838 CA PHE A 54 -4.699 1.129 -3.029 1.00 1.92 C ATOM 839 C PHE A 54 -4.768 2.150 -4.172 1.00 1.76 C ATOM 840 O PHE A 54 -4.961 1.772 -5.318 1.00 1.77 O ATOM 841 CB PHE A 54 -3.313 0.486 -2.885 1.00 2.61 C ATOM 842 CG PHE A 54 -2.242 1.460 -2.411 1.00 1.32 C ATOM 843 CD1 PHE A 54 -1.663 2.334 -3.304 1.00 1.23 C ATOM 844 CD2 PHE A 54 -1.742 1.374 -1.127 1.00 2.22 C ATOM 845 CE1 PHE A 54 -0.582 3.094 -2.930 1.00 1.92 C ATOM 846 CE2 PHE A 54 -0.662 2.135 -0.753 1.00 3.07 C ATOM 847 CZ PHE A 54 -0.078 2.990 -1.658 1.00 2.89 C ATOM 0 H PHE A 54 -5.152 -0.728 -3.930 1.00 1.58 H new ATOM 0 HA PHE A 54 -4.970 1.678 -2.127 1.00 1.92 H new ATOM 0 HB2 PHE A 54 -3.377 -0.344 -2.181 1.00 2.61 H new ATOM 0 HB3 PHE A 54 -3.013 0.067 -3.845 1.00 2.61 H new ATOM 0 HD1 PHE A 54 -2.061 2.422 -4.304 1.00 1.23 H new ATOM 0 HD2 PHE A 54 -2.202 0.706 -0.414 1.00 2.22 H new ATOM 0 HE1 PHE A 54 -0.129 3.773 -3.637 1.00 1.92 H new ATOM 0 HE2 PHE A 54 -0.271 2.062 0.251 1.00 3.07 H new ATOM 0 HZ PHE A 54 0.778 3.580 -1.367 1.00 2.89 H new ATOM 857 N ARG A 55 -4.523 3.404 -3.866 1.00 2.14 N ATOM 858 CA ARG A 55 -4.625 4.448 -4.933 1.00 2.34 C ATOM 859 C ARG A 55 -3.258 5.051 -5.260 1.00 2.30 C ATOM 860 O ARG A 55 -2.479 5.367 -4.372 1.00 2.67 O ATOM 861 CB ARG A 55 -5.589 5.525 -4.410 1.00 3.24 C ATOM 862 CG ARG A 55 -5.912 6.590 -5.473 1.00 3.23 C ATOM 863 CD ARG A 55 -4.722 7.533 -5.686 1.00 3.97 C ATOM 864 NE ARG A 55 -5.235 8.867 -6.115 1.00 4.28 N ATOM 865 CZ ARG A 55 -4.803 9.942 -5.540 1.00 5.42 C ATOM 866 NH1 ARG A 55 -4.874 10.035 -4.251 1.00 6.31 N ATOM 867 NH2 ARG A 55 -4.307 10.864 -6.290 1.00 6.08 N ATOM 0 H ARG A 55 -4.262 3.744 -2.940 1.00 2.14 H new ATOM 0 HA ARG A 55 -4.995 4.009 -5.860 1.00 2.34 H new ATOM 0 HB2 ARG A 55 -6.514 5.052 -4.081 1.00 3.24 H new ATOM 0 HB3 ARG A 55 -5.150 6.008 -3.537 1.00 3.24 H new ATOM 0 HG2 ARG A 55 -6.168 6.103 -6.414 1.00 3.23 H new ATOM 0 HG3 ARG A 55 -6.785 7.165 -5.164 1.00 3.23 H new ATOM 0 HD2 ARG A 55 -4.147 7.628 -4.765 1.00 3.97 H new ATOM 0 HD3 ARG A 55 -4.049 7.127 -6.441 1.00 3.97 H new ATOM 0 HE ARG A 55 -5.927 8.931 -6.862 1.00 4.28 H new ATOM 0 HH11 ARG A 55 -5.266 9.268 -3.705 1.00 6.31 H new ATOM 0 HH12 ARG A 55 -4.538 10.876 -3.781 1.00 6.31 H new ATOM 0 HH21 ARG A 55 -4.265 10.732 -7.301 1.00 6.08 H new ATOM 0 HH22 ARG A 55 -3.956 11.726 -5.873 1.00 6.08 H new ATOM 881 N VAL A 56 -2.996 5.166 -6.543 1.00 2.32 N ATOM 882 CA VAL A 56 -1.732 5.740 -7.012 1.00 2.57 C ATOM 883 C VAL A 56 -1.991 6.769 -8.126 1.00 2.05 C ATOM 884 O VAL A 56 -3.116 7.022 -8.520 1.00 2.77 O ATOM 885 CB VAL A 56 -0.877 4.594 -7.549 1.00 3.55 C ATOM 886 CG1 VAL A 56 -0.277 3.798 -6.382 1.00 4.84 C ATOM 887 CG2 VAL A 56 -1.718 3.663 -8.434 1.00 4.04 C ATOM 0 H VAL A 56 -3.631 4.874 -7.286 1.00 2.32 H new ATOM 0 HA VAL A 56 -1.223 6.252 -6.195 1.00 2.57 H new ATOM 0 HB VAL A 56 -0.072 5.015 -8.151 1.00 3.55 H new ATOM 0 HG11 VAL A 56 0.331 2.982 -6.773 1.00 4.84 H new ATOM 0 HG12 VAL A 56 0.345 4.456 -5.774 1.00 4.84 H new ATOM 0 HG13 VAL A 56 -1.080 3.390 -5.769 1.00 4.84 H new ATOM 0 HG21 VAL A 56 -1.092 2.853 -8.808 1.00 4.04 H new ATOM 0 HG22 VAL A 56 -2.538 3.248 -7.849 1.00 4.04 H new ATOM 0 HG23 VAL A 56 -2.122 4.227 -9.275 1.00 4.04 H new ATOM 897 N LYS A 57 -0.923 7.351 -8.578 1.00 1.73 N ATOM 898 CA LYS A 57 -0.975 8.362 -9.667 1.00 1.69 C ATOM 899 C LYS A 57 -0.001 7.903 -10.762 1.00 2.11 C ATOM 900 O LYS A 57 0.196 6.712 -10.946 1.00 3.32 O ATOM 901 CB LYS A 57 -0.547 9.725 -9.083 1.00 2.00 C ATOM 902 CG LYS A 57 0.862 9.624 -8.454 1.00 3.45 C ATOM 903 CD LYS A 57 1.348 11.007 -7.974 1.00 4.19 C ATOM 904 CE LYS A 57 2.217 11.684 -9.048 1.00 5.33 C ATOM 905 NZ LYS A 57 1.433 12.048 -10.266 1.00 5.27 N ATOM 0 H LYS A 57 0.016 7.163 -8.227 1.00 1.73 H new ATOM 0 HA LYS A 57 -1.976 8.463 -10.087 1.00 1.69 H new ATOM 0 HB2 LYS A 57 -0.548 10.481 -9.868 1.00 2.00 H new ATOM 0 HB3 LYS A 57 -1.266 10.047 -8.330 1.00 2.00 H new ATOM 0 HG2 LYS A 57 0.841 8.929 -7.614 1.00 3.45 H new ATOM 0 HG3 LYS A 57 1.563 9.220 -9.184 1.00 3.45 H new ATOM 0 HD2 LYS A 57 0.490 11.639 -7.743 1.00 4.19 H new ATOM 0 HD3 LYS A 57 1.920 10.897 -7.053 1.00 4.19 H new ATOM 0 HE2 LYS A 57 2.673 12.582 -8.630 1.00 5.33 H new ATOM 0 HE3 LYS A 57 3.030 11.015 -9.329 1.00 5.33 H new ATOM 0 HZ1 LYS A 57 1.766 12.962 -10.633 1.00 5.27 H new ATOM 0 HZ2 LYS A 57 1.562 11.316 -10.993 1.00 5.27 H new ATOM 0 HZ3 LYS A 57 0.425 12.120 -10.021 1.00 5.27 H new ATOM 919 N ALA A 58 0.542 8.843 -11.482 1.00 1.81 N ATOM 920 CA ALA A 58 1.544 8.519 -12.538 1.00 2.23 C ATOM 921 C ALA A 58 2.728 9.477 -12.381 1.00 2.41 C ATOM 922 O ALA A 58 2.827 10.135 -11.368 1.00 2.31 O ATOM 923 CB ALA A 58 0.914 8.724 -13.901 1.00 2.84 C ATOM 0 H ALA A 58 0.332 9.836 -11.383 1.00 1.81 H new ATOM 0 HA ALA A 58 1.876 7.485 -12.444 1.00 2.23 H new ATOM 0 HB1 ALA A 58 1.642 8.489 -14.677 1.00 2.84 H new ATOM 0 HB2 ALA A 58 0.049 8.069 -14.004 1.00 2.84 H new ATOM 0 HB3 ALA A 58 0.597 9.762 -14.003 1.00 2.84 H new ATOM 929 N GLU A 59 3.609 9.506 -13.350 1.00 3.91 N ATOM 930 CA GLU A 59 4.797 10.440 -13.301 1.00 4.47 C ATOM 931 C GLU A 59 5.873 10.042 -12.273 1.00 4.12 C ATOM 932 O GLU A 59 7.052 10.173 -12.556 1.00 4.73 O ATOM 933 CB GLU A 59 4.355 11.875 -12.956 1.00 4.86 C ATOM 934 CG GLU A 59 3.146 12.306 -13.803 1.00 5.77 C ATOM 935 CD GLU A 59 1.999 12.711 -12.873 1.00 5.18 C ATOM 936 OE1 GLU A 59 2.187 13.681 -12.162 1.00 5.02 O ATOM 937 OE2 GLU A 59 1.012 11.991 -12.867 1.00 5.60 O ATOM 0 H GLU A 59 3.563 8.921 -14.184 1.00 3.91 H new ATOM 0 HA GLU A 59 5.232 10.376 -14.299 1.00 4.47 H new ATOM 0 HB2 GLU A 59 4.100 11.935 -11.898 1.00 4.86 H new ATOM 0 HB3 GLU A 59 5.183 12.563 -13.124 1.00 4.86 H new ATOM 0 HG2 GLU A 59 3.418 13.141 -14.449 1.00 5.77 H new ATOM 0 HG3 GLU A 59 2.832 11.489 -14.453 1.00 5.77 H new ATOM 944 N ASP A 60 5.463 9.638 -11.096 1.00 3.40 N ATOM 945 CA ASP A 60 6.471 9.267 -10.061 1.00 3.36 C ATOM 946 C ASP A 60 6.469 7.773 -9.748 1.00 2.94 C ATOM 947 O ASP A 60 7.517 7.264 -9.440 1.00 3.72 O ATOM 948 CB ASP A 60 6.186 10.037 -8.757 1.00 3.63 C ATOM 949 CG ASP A 60 4.930 9.494 -8.055 1.00 3.74 C ATOM 950 OD1 ASP A 60 4.025 9.089 -8.768 1.00 4.67 O ATOM 951 OD2 ASP A 60 4.936 9.529 -6.836 1.00 3.96 O ATOM 0 H ASP A 60 4.487 9.550 -10.811 1.00 3.40 H new ATOM 0 HA ASP A 60 7.449 9.528 -10.466 1.00 3.36 H new ATOM 0 HB2 ASP A 60 7.043 9.956 -8.089 1.00 3.63 H new ATOM 0 HB3 ASP A 60 6.053 11.096 -8.978 1.00 3.63 H new ATOM 956 N ILE A 61 5.298 7.150 -9.802 1.00 1.92 N ATOM 957 CA ILE A 61 5.124 5.681 -9.488 1.00 1.59 C ATOM 958 C ILE A 61 6.417 5.030 -9.013 1.00 1.46 C ATOM 959 O ILE A 61 6.485 4.613 -7.880 1.00 1.59 O ATOM 960 CB ILE A 61 4.554 4.942 -10.717 1.00 1.85 C ATOM 961 CG1 ILE A 61 3.072 5.330 -10.875 1.00 2.22 C ATOM 962 CG2 ILE A 61 4.651 3.419 -10.491 1.00 2.21 C ATOM 963 CD1 ILE A 61 2.548 4.892 -12.245 1.00 2.92 C ATOM 0 H ILE A 61 4.429 7.618 -10.060 1.00 1.92 H new ATOM 0 HA ILE A 61 4.416 5.603 -8.663 1.00 1.59 H new ATOM 0 HB ILE A 61 5.117 5.214 -11.610 1.00 1.85 H new ATOM 0 HG12 ILE A 61 2.481 4.863 -10.087 1.00 2.22 H new ATOM 0 HG13 ILE A 61 2.958 6.408 -10.763 1.00 2.22 H new ATOM 0 HG21 ILE A 61 4.249 2.896 -11.359 1.00 2.21 H new ATOM 0 HG22 ILE A 61 5.695 3.138 -10.350 1.00 2.21 H new ATOM 0 HG23 ILE A 61 4.078 3.145 -9.605 1.00 2.21 H new ATOM 0 HD11 ILE A 61 1.499 5.174 -12.341 1.00 2.92 H new ATOM 0 HD12 ILE A 61 3.128 5.379 -13.029 1.00 2.92 H new ATOM 0 HD13 ILE A 61 2.644 3.811 -12.342 1.00 2.92 H new ATOM 975 N LEU A 62 7.377 4.917 -9.900 1.00 1.81 N ATOM 976 CA LEU A 62 8.705 4.326 -9.530 1.00 1.74 C ATOM 977 C LEU A 62 8.998 4.538 -8.029 1.00 1.42 C ATOM 978 O LEU A 62 9.361 3.615 -7.327 1.00 1.38 O ATOM 979 CB LEU A 62 9.793 5.016 -10.367 1.00 2.15 C ATOM 980 CG LEU A 62 9.568 4.779 -11.876 1.00 3.03 C ATOM 981 CD1 LEU A 62 10.586 5.609 -12.668 1.00 3.26 C ATOM 982 CD2 LEU A 62 9.771 3.297 -12.221 1.00 4.47 C ATOM 0 H LEU A 62 7.297 5.211 -10.873 1.00 1.81 H new ATOM 0 HA LEU A 62 8.691 3.254 -9.728 1.00 1.74 H new ATOM 0 HB2 LEU A 62 9.792 6.086 -10.160 1.00 2.15 H new ATOM 0 HB3 LEU A 62 10.773 4.637 -10.078 1.00 2.15 H new ATOM 0 HG LEU A 62 8.550 5.072 -12.131 1.00 3.03 H new ATOM 0 HD11 LEU A 62 10.435 5.448 -13.735 1.00 3.26 H new ATOM 0 HD12 LEU A 62 10.452 6.666 -12.438 1.00 3.26 H new ATOM 0 HD13 LEU A 62 11.596 5.304 -12.394 1.00 3.26 H new ATOM 0 HD21 LEU A 62 9.609 3.146 -13.288 1.00 4.47 H new ATOM 0 HD22 LEU A 62 10.787 2.999 -11.963 1.00 4.47 H new ATOM 0 HD23 LEU A 62 9.061 2.692 -11.657 1.00 4.47 H new ATOM 994 N ALA A 63 8.819 5.760 -7.581 1.00 1.57 N ATOM 995 CA ALA A 63 9.065 6.081 -6.142 1.00 1.55 C ATOM 996 C ALA A 63 8.203 5.197 -5.239 1.00 1.33 C ATOM 997 O ALA A 63 8.712 4.553 -4.353 1.00 1.57 O ATOM 998 CB ALA A 63 8.726 7.557 -5.888 1.00 1.99 C ATOM 0 H ALA A 63 8.513 6.547 -8.152 1.00 1.57 H new ATOM 0 HA ALA A 63 10.114 5.895 -5.913 1.00 1.55 H new ATOM 0 HB1 ALA A 63 8.904 7.796 -4.839 1.00 1.99 H new ATOM 0 HB2 ALA A 63 9.355 8.188 -6.516 1.00 1.99 H new ATOM 0 HB3 ALA A 63 7.678 7.736 -6.128 1.00 1.99 H new ATOM 1004 N VAL A 64 6.919 5.187 -5.467 1.00 1.11 N ATOM 1005 CA VAL A 64 6.021 4.335 -4.623 1.00 1.03 C ATOM 1006 C VAL A 64 6.456 2.876 -4.771 1.00 0.91 C ATOM 1007 O VAL A 64 6.589 2.163 -3.786 1.00 1.17 O ATOM 1008 CB VAL A 64 4.576 4.494 -5.115 1.00 0.99 C ATOM 1009 CG1 VAL A 64 3.648 3.671 -4.213 1.00 1.12 C ATOM 1010 CG2 VAL A 64 4.169 5.978 -5.077 1.00 1.33 C ATOM 0 H VAL A 64 6.451 5.726 -6.195 1.00 1.11 H new ATOM 0 HA VAL A 64 6.083 4.635 -3.577 1.00 1.03 H new ATOM 0 HB VAL A 64 4.497 4.138 -6.142 1.00 0.99 H new ATOM 0 HG11 VAL A 64 2.619 3.778 -4.555 1.00 1.12 H new ATOM 0 HG12 VAL A 64 3.937 2.621 -4.255 1.00 1.12 H new ATOM 0 HG13 VAL A 64 3.728 4.028 -3.186 1.00 1.12 H new ATOM 0 HG21 VAL A 64 3.142 6.083 -5.428 1.00 1.33 H new ATOM 0 HG22 VAL A 64 4.243 6.350 -4.055 1.00 1.33 H new ATOM 0 HG23 VAL A 64 4.833 6.554 -5.722 1.00 1.33 H new ATOM 1020 N GLU A 65 6.622 2.458 -6.006 1.00 0.74 N ATOM 1021 CA GLU A 65 7.064 1.053 -6.255 1.00 0.93 C ATOM 1022 C GLU A 65 8.198 0.698 -5.291 1.00 0.99 C ATOM 1023 O GLU A 65 8.125 -0.298 -4.600 1.00 1.15 O ATOM 1024 CB GLU A 65 7.530 0.898 -7.717 1.00 1.23 C ATOM 1025 CG GLU A 65 6.409 1.320 -8.677 1.00 1.43 C ATOM 1026 CD GLU A 65 5.137 0.579 -8.297 1.00 2.41 C ATOM 1027 OE1 GLU A 65 4.994 -0.539 -8.776 1.00 3.36 O ATOM 1028 OE2 GLU A 65 4.410 1.148 -7.501 1.00 3.52 O ATOM 0 H GLU A 65 6.472 3.024 -6.841 1.00 0.74 H new ATOM 0 HA GLU A 65 6.229 0.373 -6.086 1.00 0.93 H new ATOM 0 HB2 GLU A 65 8.417 1.508 -7.891 1.00 1.23 H new ATOM 0 HB3 GLU A 65 7.813 -0.137 -7.909 1.00 1.23 H new ATOM 0 HG2 GLU A 65 6.250 2.397 -8.622 1.00 1.43 H new ATOM 0 HG3 GLU A 65 6.687 1.091 -9.706 1.00 1.43 H new ATOM 1035 N ASP A 66 9.210 1.534 -5.250 1.00 0.98 N ATOM 1036 CA ASP A 66 10.354 1.275 -4.323 1.00 1.11 C ATOM 1037 C ASP A 66 9.839 0.803 -2.956 1.00 1.01 C ATOM 1038 O ASP A 66 10.249 -0.225 -2.450 1.00 1.18 O ATOM 1039 CB ASP A 66 11.139 2.577 -4.135 1.00 1.23 C ATOM 1040 CG ASP A 66 12.348 2.328 -3.233 1.00 1.85 C ATOM 1041 OD1 ASP A 66 13.346 1.880 -3.771 1.00 2.11 O ATOM 1042 OD2 ASP A 66 12.204 2.576 -2.046 1.00 2.88 O ATOM 0 H ASP A 66 9.291 2.379 -5.816 1.00 0.98 H new ATOM 0 HA ASP A 66 10.991 0.500 -4.749 1.00 1.11 H new ATOM 0 HB2 ASP A 66 11.468 2.957 -5.102 1.00 1.23 H new ATOM 0 HB3 ASP A 66 10.496 3.339 -3.695 1.00 1.23 H new ATOM 1047 N PHE A 67 8.927 1.571 -2.418 1.00 0.79 N ATOM 1048 CA PHE A 67 8.336 1.250 -1.082 1.00 0.81 C ATOM 1049 C PHE A 67 7.597 -0.099 -1.120 1.00 0.86 C ATOM 1050 O PHE A 67 7.800 -0.970 -0.290 1.00 1.04 O ATOM 1051 CB PHE A 67 7.357 2.382 -0.710 1.00 0.75 C ATOM 1052 CG PHE A 67 6.910 2.208 0.748 1.00 0.87 C ATOM 1053 CD1 PHE A 67 7.819 2.341 1.786 1.00 0.91 C ATOM 1054 CD2 PHE A 67 5.609 1.849 1.040 1.00 1.27 C ATOM 1055 CE1 PHE A 67 7.432 2.101 3.089 1.00 0.97 C ATOM 1056 CE2 PHE A 67 5.224 1.614 2.343 1.00 1.43 C ATOM 1057 CZ PHE A 67 6.136 1.738 3.365 1.00 1.15 C ATOM 0 H PHE A 67 8.561 2.418 -2.853 1.00 0.79 H new ATOM 0 HA PHE A 67 9.128 1.171 -0.337 1.00 0.81 H new ATOM 0 HB2 PHE A 67 7.837 3.352 -0.842 1.00 0.75 H new ATOM 0 HB3 PHE A 67 6.492 2.362 -1.372 1.00 0.75 H new ATOM 0 HD1 PHE A 67 8.837 2.634 1.574 1.00 0.91 H new ATOM 0 HD2 PHE A 67 4.888 1.752 0.242 1.00 1.27 H new ATOM 0 HE1 PHE A 67 8.148 2.199 3.892 1.00 0.97 H new ATOM 0 HE2 PHE A 67 4.205 1.332 2.561 1.00 1.43 H new ATOM 0 HZ PHE A 67 5.833 1.550 4.385 1.00 1.15 H new ATOM 1067 N LEU A 68 6.766 -0.253 -2.106 1.00 0.81 N ATOM 1068 CA LEU A 68 5.996 -1.531 -2.220 1.00 0.97 C ATOM 1069 C LEU A 68 6.907 -2.698 -2.621 1.00 1.06 C ATOM 1070 O LEU A 68 6.507 -3.850 -2.496 1.00 1.50 O ATOM 1071 CB LEU A 68 4.901 -1.381 -3.283 1.00 1.05 C ATOM 1072 CG LEU A 68 4.035 -0.146 -3.000 1.00 1.16 C ATOM 1073 CD1 LEU A 68 2.920 -0.077 -4.047 1.00 1.27 C ATOM 1074 CD2 LEU A 68 3.409 -0.248 -1.602 1.00 1.54 C ATOM 0 H LEU A 68 6.583 0.438 -2.834 1.00 0.81 H new ATOM 0 HA LEU A 68 5.558 -1.743 -1.245 1.00 0.97 H new ATOM 0 HB2 LEU A 68 5.355 -1.294 -4.270 1.00 1.05 H new ATOM 0 HB3 LEU A 68 4.276 -2.274 -3.297 1.00 1.05 H new ATOM 0 HG LEU A 68 4.655 0.749 -3.046 1.00 1.16 H new ATOM 0 HD11 LEU A 68 2.297 0.797 -3.857 1.00 1.27 H new ATOM 0 HD12 LEU A 68 3.359 -0.001 -5.042 1.00 1.27 H new ATOM 0 HD13 LEU A 68 2.309 -0.978 -3.988 1.00 1.27 H new ATOM 0 HD21 LEU A 68 2.797 0.634 -1.412 1.00 1.54 H new ATOM 0 HD22 LEU A 68 2.786 -1.141 -1.546 1.00 1.54 H new ATOM 0 HD23 LEU A 68 4.199 -0.309 -0.853 1.00 1.54 H new ATOM 1086 N GLU A 69 8.104 -2.366 -3.035 1.00 1.11 N ATOM 1087 CA GLU A 69 9.087 -3.394 -3.480 1.00 1.21 C ATOM 1088 C GLU A 69 10.156 -3.643 -2.416 1.00 1.28 C ATOM 1089 O GLU A 69 10.171 -4.691 -1.812 1.00 1.57 O ATOM 1090 CB GLU A 69 9.783 -2.880 -4.746 1.00 1.26 C ATOM 1091 CG GLU A 69 10.872 -3.876 -5.176 1.00 1.86 C ATOM 1092 CD GLU A 69 12.094 -3.098 -5.673 1.00 3.13 C ATOM 1093 OE1 GLU A 69 12.075 -2.778 -6.844 1.00 3.29 O ATOM 1094 OE2 GLU A 69 12.955 -2.840 -4.848 1.00 4.72 O ATOM 0 H GLU A 69 8.445 -1.406 -3.083 1.00 1.11 H new ATOM 0 HA GLU A 69 8.553 -4.327 -3.663 1.00 1.21 H new ATOM 0 HB2 GLU A 69 9.055 -2.753 -5.547 1.00 1.26 H new ATOM 0 HB3 GLU A 69 10.225 -1.901 -4.559 1.00 1.26 H new ATOM 0 HG2 GLU A 69 11.149 -4.516 -4.338 1.00 1.86 H new ATOM 0 HG3 GLU A 69 10.495 -4.528 -5.964 1.00 1.86 H new ATOM 1101 N GLN A 70 11.065 -2.703 -2.268 1.00 1.09 N ATOM 1102 CA GLN A 70 12.153 -2.851 -1.252 1.00 1.24 C ATOM 1103 C GLN A 70 11.638 -3.555 -0.008 1.00 1.37 C ATOM 1104 O GLN A 70 12.291 -4.421 0.533 1.00 1.64 O ATOM 1105 CB GLN A 70 12.693 -1.477 -0.851 1.00 1.26 C ATOM 1106 CG GLN A 70 13.586 -0.927 -1.965 1.00 1.64 C ATOM 1107 CD GLN A 70 14.676 -0.069 -1.326 1.00 2.40 C ATOM 1108 OE1 GLN A 70 14.612 1.215 -1.422 1.00 2.99 O flip ATOM 1109 NE2 GLN A 70 15.593 -0.565 -0.704 1.00 2.88 N flip ATOM 0 H GLN A 70 11.097 -1.839 -2.810 1.00 1.09 H new ATOM 0 HA GLN A 70 12.949 -3.446 -1.700 1.00 1.24 H new ATOM 0 HB2 GLN A 70 11.866 -0.792 -0.663 1.00 1.26 H new ATOM 0 HB3 GLN A 70 13.260 -1.555 0.077 1.00 1.26 H new ATOM 0 HG2 GLN A 70 14.030 -1.744 -2.534 1.00 1.64 H new ATOM 0 HG3 GLN A 70 12.998 -0.334 -2.665 1.00 1.64 H new ATOM 0 HE21 GLN A 70 15.661 -1.579 -0.617 1.00 2.88 H new ATOM 0 HE22 GLN A 70 16.296 0.032 -0.268 1.00 2.88 H new ATOM 1118 N ASN A 71 10.468 -3.151 0.400 1.00 1.35 N ATOM 1119 CA ASN A 71 9.842 -3.758 1.614 1.00 1.67 C ATOM 1120 C ASN A 71 9.067 -5.006 1.186 1.00 1.52 C ATOM 1121 O ASN A 71 8.974 -5.968 1.918 1.00 1.47 O ATOM 1122 CB ASN A 71 8.906 -2.727 2.249 1.00 1.76 C ATOM 1123 CG ASN A 71 9.557 -1.343 2.187 1.00 1.88 C ATOM 1124 OD1 ASN A 71 10.759 -1.194 2.277 1.00 2.80 O ATOM 1125 ND2 ASN A 71 8.815 -0.301 2.027 1.00 1.83 N ATOM 0 H ASN A 71 9.914 -2.425 -0.054 1.00 1.35 H new ATOM 0 HA ASN A 71 10.598 -4.043 2.346 1.00 1.67 H new ATOM 0 HB2 ASN A 71 7.951 -2.715 1.725 1.00 1.76 H new ATOM 0 HB3 ASN A 71 8.698 -2.997 3.284 1.00 1.76 H new ATOM 0 HD21 ASN A 71 9.240 0.625 1.978 1.00 1.83 H new ATOM 0 HD22 ASN A 71 7.803 -0.403 1.949 1.00 1.83 H new ATOM 1132 N GLU A 72 8.488 -4.905 0.016 1.00 2.04 N ATOM 1133 CA GLU A 72 7.723 -6.028 -0.610 1.00 1.96 C ATOM 1134 C GLU A 72 6.352 -6.246 0.029 1.00 1.84 C ATOM 1135 O GLU A 72 6.209 -7.031 0.943 1.00 2.19 O ATOM 1136 CB GLU A 72 8.570 -7.316 -0.538 1.00 2.08 C ATOM 1137 CG GLU A 72 8.601 -7.992 -1.919 1.00 2.60 C ATOM 1138 CD GLU A 72 7.313 -8.787 -2.146 1.00 3.91 C ATOM 1139 OE1 GLU A 72 6.252 -8.171 -2.124 1.00 5.32 O ATOM 1140 OE2 GLU A 72 7.460 -9.985 -2.300 1.00 4.15 O ATOM 0 H GLU A 72 8.516 -4.058 -0.552 1.00 2.04 H new ATOM 0 HA GLU A 72 7.531 -5.761 -1.649 1.00 1.96 H new ATOM 0 HB2 GLU A 72 9.584 -7.079 -0.215 1.00 2.08 H new ATOM 0 HB3 GLU A 72 8.151 -7.998 0.202 1.00 2.08 H new ATOM 0 HG2 GLU A 72 8.714 -7.239 -2.699 1.00 2.60 H new ATOM 0 HG3 GLU A 72 9.463 -8.655 -1.988 1.00 2.60 H new ATOM 1147 N LEU A 73 5.369 -5.529 -0.457 1.00 1.67 N ATOM 1148 CA LEU A 73 4.004 -5.681 0.072 1.00 1.64 C ATOM 1149 C LEU A 73 3.145 -6.397 -0.980 1.00 1.59 C ATOM 1150 O LEU A 73 2.148 -5.858 -1.444 1.00 2.68 O ATOM 1151 CB LEU A 73 3.437 -4.290 0.345 1.00 1.79 C ATOM 1152 CG LEU A 73 4.488 -3.345 0.953 1.00 1.44 C ATOM 1153 CD1 LEU A 73 3.775 -2.072 1.424 1.00 3.06 C ATOM 1154 CD2 LEU A 73 5.188 -3.987 2.158 1.00 1.58 C ATOM 0 H LEU A 73 5.468 -4.842 -1.204 1.00 1.67 H new ATOM 0 HA LEU A 73 4.008 -6.264 0.993 1.00 1.64 H new ATOM 0 HB2 LEU A 73 3.061 -3.863 -0.585 1.00 1.79 H new ATOM 0 HB3 LEU A 73 2.588 -4.372 1.024 1.00 1.79 H new ATOM 0 HG LEU A 73 5.240 -3.125 0.195 1.00 1.44 H new ATOM 0 HD11 LEU A 73 4.503 -1.387 1.859 1.00 3.06 H new ATOM 0 HD12 LEU A 73 3.288 -1.592 0.575 1.00 3.06 H new ATOM 0 HD13 LEU A 73 3.027 -2.330 2.173 1.00 3.06 H new ATOM 0 HD21 LEU A 73 5.924 -3.293 2.563 1.00 1.58 H new ATOM 0 HD22 LEU A 73 4.450 -4.222 2.925 1.00 1.58 H new ATOM 0 HD23 LEU A 73 5.688 -4.903 1.843 1.00 1.58 H new ATOM 1166 N GLN A 74 3.600 -7.578 -1.346 1.00 0.83 N ATOM 1167 CA GLN A 74 2.905 -8.455 -2.355 1.00 0.93 C ATOM 1168 C GLN A 74 1.822 -7.722 -3.151 1.00 1.00 C ATOM 1169 O GLN A 74 0.631 -7.919 -2.944 1.00 1.42 O ATOM 1170 CB GLN A 74 2.273 -9.652 -1.627 1.00 1.17 C ATOM 1171 CG GLN A 74 3.370 -10.524 -1.001 1.00 1.58 C ATOM 1172 CD GLN A 74 3.980 -9.771 0.174 1.00 2.53 C ATOM 1173 OE1 GLN A 74 3.321 -9.516 1.144 1.00 3.68 O ATOM 1174 NE2 GLN A 74 5.207 -9.353 0.109 1.00 3.65 N ATOM 0 H GLN A 74 4.457 -7.985 -0.972 1.00 0.83 H new ATOM 0 HA GLN A 74 3.660 -8.779 -3.071 1.00 0.93 H new ATOM 0 HB2 GLN A 74 1.592 -9.299 -0.853 1.00 1.17 H new ATOM 0 HB3 GLN A 74 1.682 -10.243 -2.327 1.00 1.17 H new ATOM 0 HG2 GLN A 74 2.953 -11.474 -0.666 1.00 1.58 H new ATOM 0 HG3 GLN A 74 4.137 -10.756 -1.740 1.00 1.58 H new ATOM 0 HE21 GLN A 74 5.775 -9.565 -0.711 1.00 3.65 H new ATOM 0 HE22 GLN A 74 5.603 -8.813 0.878 1.00 3.65 H new ATOM 1183 N TYR A 75 2.258 -6.878 -4.042 1.00 0.95 N ATOM 1184 CA TYR A 75 1.292 -6.126 -4.881 1.00 1.01 C ATOM 1185 C TYR A 75 1.615 -6.411 -6.341 1.00 1.17 C ATOM 1186 O TYR A 75 2.705 -6.869 -6.662 1.00 1.40 O ATOM 1187 CB TYR A 75 1.416 -4.620 -4.620 1.00 1.22 C ATOM 1188 CG TYR A 75 2.645 -4.076 -5.357 1.00 1.47 C ATOM 1189 CD1 TYR A 75 3.911 -4.316 -4.871 1.00 1.49 C ATOM 1190 CD2 TYR A 75 2.504 -3.408 -6.560 1.00 1.92 C ATOM 1191 CE1 TYR A 75 5.022 -3.898 -5.572 1.00 1.96 C ATOM 1192 CE2 TYR A 75 3.616 -2.994 -7.258 1.00 2.37 C ATOM 1193 CZ TYR A 75 4.879 -3.233 -6.769 1.00 2.41 C ATOM 1194 OH TYR A 75 5.978 -2.792 -7.457 1.00 3.02 O ATOM 0 H TYR A 75 3.241 -6.678 -4.224 1.00 0.95 H new ATOM 0 HA TYR A 75 0.275 -6.436 -4.640 1.00 1.01 H new ATOM 0 HB2 TYR A 75 0.517 -4.105 -4.960 1.00 1.22 H new ATOM 0 HB3 TYR A 75 1.506 -4.431 -3.550 1.00 1.22 H new ATOM 0 HD1 TYR A 75 4.035 -4.836 -3.933 1.00 1.49 H new ATOM 0 HD2 TYR A 75 1.518 -3.210 -6.953 1.00 1.92 H new ATOM 0 HE1 TYR A 75 6.009 -4.093 -5.180 1.00 1.96 H new ATOM 0 HE2 TYR A 75 3.495 -2.477 -8.198 1.00 2.37 H new ATOM 0 HH TYR A 75 5.745 -1.987 -7.965 1.00 3.02 H new ATOM 1204 N GLU A 76 0.666 -6.119 -7.193 1.00 1.42 N ATOM 1205 CA GLU A 76 0.865 -6.350 -8.650 1.00 1.91 C ATOM 1206 C GLU A 76 0.108 -5.257 -9.421 1.00 1.74 C ATOM 1207 O GLU A 76 -0.767 -4.598 -8.862 1.00 1.60 O ATOM 1208 CB GLU A 76 0.324 -7.745 -9.030 1.00 2.55 C ATOM 1209 CG GLU A 76 0.965 -8.826 -8.132 1.00 3.21 C ATOM 1210 CD GLU A 76 0.339 -10.190 -8.425 1.00 4.04 C ATOM 1211 OE1 GLU A 76 -0.859 -10.280 -8.213 1.00 3.76 O ATOM 1212 OE2 GLU A 76 1.081 -11.059 -8.838 1.00 5.50 O ATOM 0 H GLU A 76 -0.241 -5.729 -6.938 1.00 1.42 H new ATOM 0 HA GLU A 76 1.925 -6.310 -8.901 1.00 1.91 H new ATOM 0 HB2 GLU A 76 -0.760 -7.766 -8.920 1.00 2.55 H new ATOM 0 HB3 GLU A 76 0.542 -7.955 -10.077 1.00 2.55 H new ATOM 0 HG2 GLU A 76 2.040 -8.865 -8.307 1.00 3.21 H new ATOM 0 HG3 GLU A 76 0.822 -8.569 -7.082 1.00 3.21 H new ATOM 1219 N VAL A 77 0.430 -5.122 -10.682 1.00 1.98 N ATOM 1220 CA VAL A 77 -0.245 -4.086 -11.523 1.00 1.95 C ATOM 1221 C VAL A 77 -1.082 -4.792 -12.609 1.00 2.28 C ATOM 1222 O VAL A 77 -0.745 -4.777 -13.777 1.00 3.19 O ATOM 1223 CB VAL A 77 0.835 -3.169 -12.144 1.00 2.17 C ATOM 1224 CG1 VAL A 77 0.182 -1.944 -12.796 1.00 2.33 C ATOM 1225 CG2 VAL A 77 1.795 -2.680 -11.048 1.00 2.38 C ATOM 0 H VAL A 77 1.131 -5.684 -11.166 1.00 1.98 H new ATOM 0 HA VAL A 77 -0.915 -3.470 -10.923 1.00 1.95 H new ATOM 0 HB VAL A 77 1.379 -3.740 -12.896 1.00 2.17 H new ATOM 0 HG11 VAL A 77 0.954 -1.307 -13.229 1.00 2.33 H new ATOM 0 HG12 VAL A 77 -0.501 -2.270 -13.580 1.00 2.33 H new ATOM 0 HG13 VAL A 77 -0.371 -1.383 -12.043 1.00 2.33 H new ATOM 0 HG21 VAL A 77 2.554 -2.035 -11.490 1.00 2.38 H new ATOM 0 HG22 VAL A 77 1.236 -2.121 -10.297 1.00 2.38 H new ATOM 0 HG23 VAL A 77 2.277 -3.537 -10.578 1.00 2.38 H new ATOM 1235 N LEU A 78 -2.112 -5.470 -12.146 1.00 2.18 N ATOM 1236 CA LEU A 78 -3.065 -6.222 -13.053 1.00 2.61 C ATOM 1237 C LEU A 78 -3.044 -5.738 -14.511 1.00 2.79 C ATOM 1238 O LEU A 78 -2.762 -6.500 -15.413 1.00 3.60 O ATOM 1239 CB LEU A 78 -4.498 -6.047 -12.525 1.00 2.71 C ATOM 1240 CG LEU A 78 -4.698 -6.838 -11.229 1.00 3.17 C ATOM 1241 CD1 LEU A 78 -5.991 -6.361 -10.555 1.00 3.47 C ATOM 1242 CD2 LEU A 78 -4.840 -8.331 -11.559 1.00 4.11 C ATOM 0 H LEU A 78 -2.342 -5.538 -11.155 1.00 2.18 H new ATOM 0 HA LEU A 78 -2.739 -7.262 -13.045 1.00 2.61 H new ATOM 0 HB2 LEU A 78 -4.699 -4.991 -12.347 1.00 2.71 H new ATOM 0 HB3 LEU A 78 -5.212 -6.385 -13.277 1.00 2.71 H new ATOM 0 HG LEU A 78 -3.844 -6.684 -10.569 1.00 3.17 H new ATOM 0 HD11 LEU A 78 -6.146 -6.917 -9.630 1.00 3.47 H new ATOM 0 HD12 LEU A 78 -5.913 -5.297 -10.331 1.00 3.47 H new ATOM 0 HD13 LEU A 78 -6.834 -6.530 -11.225 1.00 3.47 H new ATOM 0 HD21 LEU A 78 -4.982 -8.895 -10.637 1.00 4.11 H new ATOM 0 HD22 LEU A 78 -5.700 -8.479 -12.212 1.00 4.11 H new ATOM 0 HD23 LEU A 78 -3.938 -8.680 -12.062 1.00 4.11 H new ATOM 1254 N ILE A 79 -3.403 -4.491 -14.681 1.00 3.09 N ATOM 1255 CA ILE A 79 -3.454 -3.843 -15.992 1.00 3.82 C ATOM 1256 C ILE A 79 -2.689 -2.537 -15.760 1.00 5.34 C ATOM 1257 O ILE A 79 -2.348 -2.222 -14.639 1.00 6.22 O ATOM 1258 CB ILE A 79 -4.937 -3.581 -16.362 1.00 4.79 C ATOM 1259 CG1 ILE A 79 -5.771 -4.880 -16.258 1.00 5.27 C ATOM 1260 CG2 ILE A 79 -5.062 -3.014 -17.786 1.00 5.45 C ATOM 1261 CD1 ILE A 79 -5.323 -5.917 -17.302 1.00 6.21 C ATOM 0 H ILE A 79 -3.674 -3.879 -13.911 1.00 3.09 H new ATOM 0 HA ILE A 79 -3.028 -4.427 -16.808 1.00 3.82 H new ATOM 0 HB ILE A 79 -5.322 -2.849 -15.652 1.00 4.79 H new ATOM 0 HG12 ILE A 79 -5.669 -5.301 -15.258 1.00 5.27 H new ATOM 0 HG13 ILE A 79 -6.827 -4.649 -16.401 1.00 5.27 H new ATOM 0 HG21 ILE A 79 -6.113 -2.840 -18.018 1.00 5.45 H new ATOM 0 HG22 ILE A 79 -4.516 -2.073 -17.852 1.00 5.45 H new ATOM 0 HG23 ILE A 79 -4.646 -3.726 -18.499 1.00 5.45 H new ATOM 0 HD11 ILE A 79 -5.928 -6.818 -17.203 1.00 6.21 H new ATOM 0 HD12 ILE A 79 -5.449 -5.504 -18.303 1.00 6.21 H new ATOM 0 HD13 ILE A 79 -4.274 -6.165 -17.141 1.00 6.21 H new ATOM 1273 N ASN A 80 -2.533 -1.791 -16.779 1.00 6.33 N ATOM 1274 CA ASN A 80 -1.769 -0.503 -16.681 1.00 8.24 C ATOM 1275 C ASN A 80 -2.728 0.687 -16.513 1.00 9.33 C ATOM 1276 O ASN A 80 -2.624 1.690 -17.201 1.00 10.59 O ATOM 1277 CB ASN A 80 -0.927 -0.340 -17.965 1.00 9.71 C ATOM 1278 CG ASN A 80 0.541 -0.070 -17.613 1.00 10.75 C ATOM 1279 OD1 ASN A 80 1.166 -0.792 -16.859 1.00 10.76 O ATOM 1280 ND2 ASN A 80 1.156 0.934 -18.157 1.00 12.00 N ATOM 0 H ASN A 80 -2.900 -2.001 -17.707 1.00 6.33 H new ATOM 0 HA ASN A 80 -1.117 -0.527 -15.808 1.00 8.24 H new ATOM 0 HB2 ASN A 80 -1.002 -1.242 -18.573 1.00 9.71 H new ATOM 0 HB3 ASN A 80 -1.321 0.481 -18.564 1.00 9.71 H new ATOM 0 HD21 ASN A 80 2.140 1.103 -17.949 1.00 12.00 H new ATOM 0 HD22 ASN A 80 0.655 1.555 -18.793 1.00 12.00 H new ATOM 1287 N ASN A 81 -3.603 0.555 -15.553 1.00 9.18 N ATOM 1288 CA ASN A 81 -4.594 1.630 -15.268 1.00 10.58 C ATOM 1289 C ASN A 81 -4.370 2.096 -13.832 1.00 11.23 C ATOM 1290 O ASN A 81 -4.319 1.231 -12.978 1.00 10.98 O ATOM 1291 CB ASN A 81 -6.024 1.081 -15.406 1.00 10.84 C ATOM 1292 CG ASN A 81 -7.073 2.198 -15.248 1.00 12.14 C ATOM 1293 OD1 ASN A 81 -6.712 3.415 -14.953 1.00 12.72 O flip ATOM 1294 ND2 ASN A 81 -8.253 1.966 -15.403 1.00 12.94 N flip ATOM 1295 OXT ASN A 81 -4.256 3.326 -13.645 1.00 12.35 O ATOM 0 H ASN A 81 -3.673 -0.263 -14.947 1.00 9.18 H new ATOM 0 HA ASN A 81 -4.469 2.454 -15.971 1.00 10.58 H new ATOM 0 HB2 ASN A 81 -6.140 0.606 -16.380 1.00 10.84 H new ATOM 0 HB3 ASN A 81 -6.194 0.311 -14.653 1.00 10.84 H new ATOM 0 HD21 ASN A 81 -8.561 1.022 -15.634 1.00 12.94 H new ATOM 0 HD22 ASN A 81 -8.938 2.715 -15.302 1.00 12.94 H new TER 1302 ASN A 81