USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 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 47 LYS NZ :NH3+ -157:sc= 0.608! (180deg=-2.84) USER MOD Set 1.2: A 50 SER OG : rot 130:sc= -1.16! USER MOD Set 2.1: A 42 SER OG : rot -86:sc= 2.11 USER MOD Set 2.2: A 44 THR OG1 : rot 62:sc= -0.0815 USER MOD Set 3.1: A 1 HIS N :NH3+ -129:sc= -4.41! (180deg=-6.27!) USER MOD Set 3.2: A 2 HIS :FLIP no HD1:sc= -1.42 F(o=-7.2!,f=-5.7) USER MOD Set 3.3: A 3 SER OG : rot 122:sc= 0.12 USER MOD Single : A 1 HIS : no HD1:sc= -2.15! C(o=-2.2!,f=-6!) USER MOD Single : A 6 HIS : no HE2:sc= -0.338 K(o=-0.34,f=-5!) USER MOD Single : A 11 LYS NZ :NH3+ -125:sc= 1.58 (180deg=-1.75!) USER MOD Single : A 16 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.2) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.576 F(o=-1.7!,f=-0.58) USER MOD Single : A 24 SER OG : rot -106:sc= 0.425 USER MOD Single : A 27 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-2.1!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0052 USER MOD Single : A 32 THR OG1 : rot -176:sc= 0.233 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= -2.88 (180deg=-3.26!) USER MOD Single : A 45 GLN : amide:sc= 0.666 K(o=0.67,f=0) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.295 F(o=-0.83,f=-0.3) USER MOD Single : A 51 THR OG1 : rot -86:sc= -2.28! USER MOD Single : A 57 LYS NZ :NH3+ 138:sc= -2.39! (180deg=-3.69!) USER MOD Single : A 70 GLN : amide:sc= 1.14 K(o=1.1,f=-0.02) USER MOD Single : A 71 ASN :FLIP amide:sc= -3.56 F(o=-4.8!,f=-3.6) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot -18:sc= 0.942 USER MOD Single : A 80 ASN : amide:sc= 0.352 X(o=0.35,f=-0.075) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.498 F(o=-2.4!,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 8.607 14.441 -13.613 1.00 13.65 N ATOM 2 CA HIS A 1 9.204 15.653 -14.230 1.00 14.23 C ATOM 3 C HIS A 1 10.724 15.489 -14.358 1.00 14.23 C ATOM 4 O HIS A 1 11.239 15.507 -15.450 1.00 14.20 O ATOM 5 CB HIS A 1 8.873 16.892 -13.380 1.00 15.68 C ATOM 6 CG HIS A 1 9.275 16.751 -11.910 1.00 16.53 C ATOM 7 ND1 HIS A 1 10.476 17.064 -11.505 1.00 17.17 N ATOM 8 CD2 HIS A 1 8.609 16.260 -10.813 1.00 17.09 C ATOM 9 CE1 HIS A 1 10.578 16.780 -10.228 1.00 17.99 C ATOM 10 NE2 HIS A 1 9.436 16.291 -9.812 1.00 17.95 N ATOM 0 H1 HIS A 1 7.816 14.106 -14.200 1.00 13.65 H new ATOM 0 H2 HIS A 1 9.328 13.695 -13.546 1.00 13.65 H new ATOM 0 H3 HIS A 1 8.258 14.672 -12.661 1.00 13.65 H new ATOM 0 HA HIS A 1 8.783 15.786 -15.227 1.00 14.23 H new ATOM 0 HB2 HIS A 1 9.378 17.759 -13.805 1.00 15.68 H new ATOM 0 HB3 HIS A 1 7.802 17.087 -13.438 1.00 15.68 H new ATOM 0 HD2 HIS A 1 7.587 15.913 -10.788 1.00 17.09 H new ATOM 0 HE1 HIS A 1 11.459 16.925 -9.620 1.00 17.99 H new ATOM 0 HE2 HIS A 1 9.231 15.986 -8.861 1.00 17.95 H new ATOM 20 N HIS A 2 11.379 15.323 -13.229 1.00 14.55 N ATOM 21 CA HIS A 2 12.878 15.151 -13.166 1.00 14.94 C ATOM 22 C HIS A 2 13.591 15.114 -14.533 1.00 14.73 C ATOM 23 O HIS A 2 14.180 16.097 -14.933 1.00 15.57 O ATOM 24 CB HIS A 2 13.187 13.860 -12.387 1.00 14.79 C ATOM 25 CG HIS A 2 12.138 12.766 -12.585 1.00 14.08 C ATOM 26 ND1 HIS A 2 12.025 11.754 -13.504 1.00 14.18 N flip ATOM 27 CD2 HIS A 2 11.065 12.718 -11.841 1.00 13.65 C flip ATOM 28 CE1 HIS A 2 10.894 11.159 -13.285 1.00 13.91 C flip ATOM 29 NE2 HIS A 2 10.302 11.742 -12.275 1.00 13.57 N flip ATOM 0 H HIS A 2 10.924 15.298 -12.317 1.00 14.55 H new ATOM 0 HA HIS A 2 13.268 16.038 -12.666 1.00 14.94 H new ATOM 0 HB2 HIS A 2 14.160 13.481 -12.698 1.00 14.79 H new ATOM 0 HB3 HIS A 2 13.261 14.094 -11.325 1.00 14.79 H new ATOM 0 HD2 HIS A 2 10.843 13.371 -11.010 1.00 13.65 H new ATOM 0 HE1 HIS A 2 10.505 10.321 -13.844 1.00 13.91 H new ATOM 0 HE2 HIS A 2 9.395 11.481 -11.888 1.00 13.57 H new ATOM 37 N SER A 3 13.541 13.995 -15.207 1.00 13.93 N ATOM 38 CA SER A 3 14.227 13.894 -16.534 1.00 14.14 C ATOM 39 C SER A 3 13.297 13.325 -17.609 1.00 13.39 C ATOM 40 O SER A 3 12.933 14.005 -18.550 1.00 13.79 O ATOM 41 CB SER A 3 15.450 12.983 -16.360 1.00 14.66 C ATOM 42 OG SER A 3 14.924 11.800 -15.751 1.00 14.15 O ATOM 0 H SER A 3 13.059 13.150 -14.900 1.00 13.93 H new ATOM 0 HA SER A 3 14.525 14.889 -16.864 1.00 14.14 H new ATOM 0 HB2 SER A 3 15.921 12.762 -17.318 1.00 14.66 H new ATOM 0 HB3 SER A 3 16.208 13.450 -15.732 1.00 14.66 H new ATOM 0 HG SER A 3 15.122 11.025 -16.317 1.00 14.15 H new ATOM 48 N GLY A 4 12.975 12.069 -17.460 1.00 12.59 N ATOM 49 CA GLY A 4 12.073 11.399 -18.437 1.00 12.05 C ATOM 50 C GLY A 4 11.114 10.481 -17.687 1.00 11.01 C ATOM 51 O GLY A 4 11.461 9.952 -16.647 1.00 11.43 O ATOM 0 H GLY A 4 13.301 11.475 -16.698 1.00 12.59 H new ATOM 0 HA2 GLY A 4 11.514 12.144 -19.004 1.00 12.05 H new ATOM 0 HA3 GLY A 4 12.658 10.825 -19.155 1.00 12.05 H new ATOM 55 N GLU A 5 9.936 10.319 -18.226 1.00 9.94 N ATOM 56 CA GLU A 5 8.916 9.441 -17.577 1.00 9.10 C ATOM 57 C GLU A 5 8.208 8.622 -18.670 1.00 8.22 C ATOM 58 O GLU A 5 8.697 8.541 -19.789 1.00 8.36 O ATOM 59 CB GLU A 5 7.939 10.336 -16.784 1.00 9.05 C ATOM 60 CG GLU A 5 8.696 10.947 -15.580 1.00 9.99 C ATOM 61 CD GLU A 5 7.920 12.121 -14.980 1.00 10.37 C ATOM 62 OE1 GLU A 5 7.595 13.008 -15.751 1.00 10.45 O ATOM 63 OE2 GLU A 5 7.759 12.123 -13.767 1.00 11.02 O ATOM 0 H GLU A 5 9.633 10.760 -19.094 1.00 9.94 H new ATOM 0 HA GLU A 5 9.370 8.738 -16.878 1.00 9.10 H new ATOM 0 HB2 GLU A 5 7.545 11.126 -17.424 1.00 9.05 H new ATOM 0 HB3 GLU A 5 7.087 9.752 -16.438 1.00 9.05 H new ATOM 0 HG2 GLU A 5 8.852 10.183 -14.819 1.00 9.99 H new ATOM 0 HG3 GLU A 5 9.682 11.284 -15.900 1.00 9.99 H new ATOM 70 N HIS A 6 7.104 7.999 -18.343 1.00 7.70 N ATOM 71 CA HIS A 6 6.379 7.181 -19.372 1.00 7.26 C ATOM 72 C HIS A 6 4.895 7.562 -19.430 1.00 6.09 C ATOM 73 O HIS A 6 4.473 8.488 -18.770 1.00 6.19 O ATOM 74 CB HIS A 6 6.538 5.697 -19.015 1.00 8.22 C ATOM 75 CG HIS A 6 7.998 5.290 -18.799 1.00 9.47 C ATOM 76 ND1 HIS A 6 8.977 5.918 -19.398 1.00 10.08 N ATOM 77 CD2 HIS A 6 8.575 4.300 -18.045 1.00 10.54 C ATOM 78 CE1 HIS A 6 10.112 5.358 -19.049 1.00 11.33 C ATOM 79 NE2 HIS A 6 9.860 4.373 -18.225 1.00 11.57 N ATOM 0 H HIS A 6 6.674 8.018 -17.418 1.00 7.70 H new ATOM 0 HA HIS A 6 6.805 7.375 -20.356 1.00 7.26 H new ATOM 0 HB2 HIS A 6 5.969 5.483 -18.110 1.00 8.22 H new ATOM 0 HB3 HIS A 6 6.111 5.089 -19.812 1.00 8.22 H new ATOM 0 HD1 HIS A 6 8.875 6.711 -20.031 1.00 10.08 H new ATOM 0 HD2 HIS A 6 8.057 3.590 -17.417 1.00 10.54 H new ATOM 0 HE1 HIS A 6 11.092 5.660 -19.386 1.00 11.33 H new ATOM 87 N PHE A 7 4.132 6.822 -20.198 1.00 5.64 N ATOM 88 CA PHE A 7 2.674 7.137 -20.319 1.00 5.03 C ATOM 89 C PHE A 7 1.838 6.177 -19.471 1.00 4.30 C ATOM 90 O PHE A 7 0.628 6.291 -19.418 1.00 4.54 O ATOM 91 CB PHE A 7 2.245 7.020 -21.791 1.00 6.00 C ATOM 92 CG PHE A 7 2.697 5.669 -22.364 1.00 7.03 C ATOM 93 CD1 PHE A 7 3.959 5.527 -22.916 1.00 7.89 C ATOM 94 CD2 PHE A 7 1.859 4.568 -22.316 1.00 7.92 C ATOM 95 CE1 PHE A 7 4.374 4.305 -23.405 1.00 9.33 C ATOM 96 CE2 PHE A 7 2.275 3.347 -22.809 1.00 9.43 C ATOM 97 CZ PHE A 7 3.532 3.215 -23.353 1.00 10.03 C ATOM 0 H PHE A 7 4.452 6.021 -20.742 1.00 5.64 H new ATOM 0 HA PHE A 7 2.509 8.153 -19.961 1.00 5.03 H new ATOM 0 HB2 PHE A 7 1.162 7.114 -21.871 1.00 6.00 H new ATOM 0 HB3 PHE A 7 2.680 7.834 -22.371 1.00 6.00 H new ATOM 0 HD1 PHE A 7 4.623 6.378 -22.964 1.00 7.89 H new ATOM 0 HD2 PHE A 7 0.872 4.665 -21.889 1.00 7.92 H new ATOM 0 HE1 PHE A 7 5.362 4.202 -23.830 1.00 9.33 H new ATOM 0 HE2 PHE A 7 1.613 2.495 -22.768 1.00 9.43 H new ATOM 0 HZ PHE A 7 3.858 2.260 -23.738 1.00 10.03 H new ATOM 107 N GLU A 8 2.508 5.294 -18.780 1.00 4.21 N ATOM 108 CA GLU A 8 1.782 4.313 -17.922 1.00 4.25 C ATOM 109 C GLU A 8 1.630 4.939 -16.530 1.00 3.92 C ATOM 110 O GLU A 8 2.199 4.485 -15.549 1.00 5.06 O ATOM 111 CB GLU A 8 2.599 3.016 -17.849 1.00 5.36 C ATOM 112 CG GLU A 8 1.705 1.846 -17.412 1.00 6.38 C ATOM 113 CD GLU A 8 2.608 0.678 -16.996 1.00 7.24 C ATOM 114 OE1 GLU A 8 3.133 0.767 -15.888 1.00 7.34 O ATOM 115 OE2 GLU A 8 2.743 -0.220 -17.808 1.00 8.17 O ATOM 0 H GLU A 8 3.524 5.209 -18.772 1.00 4.21 H new ATOM 0 HA GLU A 8 0.798 4.077 -18.328 1.00 4.25 H new ATOM 0 HB2 GLU A 8 3.041 2.801 -18.822 1.00 5.36 H new ATOM 0 HB3 GLU A 8 3.422 3.136 -17.145 1.00 5.36 H new ATOM 0 HG2 GLU A 8 1.066 2.146 -16.582 1.00 6.38 H new ATOM 0 HG3 GLU A 8 1.047 1.546 -18.228 1.00 6.38 H new ATOM 122 N GLY A 9 0.858 5.992 -16.499 1.00 3.02 N ATOM 123 CA GLY A 9 0.615 6.728 -15.224 1.00 3.00 C ATOM 124 C GLY A 9 -0.771 6.404 -14.672 1.00 2.55 C ATOM 125 O GLY A 9 -0.918 6.183 -13.491 1.00 2.80 O ATOM 0 H GLY A 9 0.380 6.378 -17.313 1.00 3.02 H new ATOM 0 HA2 GLY A 9 1.376 6.459 -14.492 1.00 3.00 H new ATOM 0 HA3 GLY A 9 0.703 7.801 -15.395 1.00 3.00 H new ATOM 129 N GLU A 10 -1.748 6.343 -15.537 1.00 2.65 N ATOM 130 CA GLU A 10 -3.133 6.031 -15.072 1.00 2.94 C ATOM 131 C GLU A 10 -3.271 4.522 -14.817 1.00 2.72 C ATOM 132 O GLU A 10 -4.123 3.874 -15.392 1.00 3.09 O ATOM 133 CB GLU A 10 -4.129 6.455 -16.169 1.00 3.97 C ATOM 134 CG GLU A 10 -3.907 7.924 -16.578 1.00 4.54 C ATOM 135 CD GLU A 10 -4.357 8.860 -15.452 1.00 4.73 C ATOM 136 OE1 GLU A 10 -3.664 8.878 -14.449 1.00 4.77 O ATOM 137 OE2 GLU A 10 -5.377 9.494 -15.662 1.00 5.52 O ATOM 0 H GLU A 10 -1.649 6.495 -16.541 1.00 2.65 H new ATOM 0 HA GLU A 10 -3.339 6.569 -14.147 1.00 2.94 H new ATOM 0 HB2 GLU A 10 -4.013 5.810 -17.040 1.00 3.97 H new ATOM 0 HB3 GLU A 10 -5.150 6.324 -15.809 1.00 3.97 H new ATOM 0 HG2 GLU A 10 -2.853 8.092 -16.801 1.00 4.54 H new ATOM 0 HG3 GLU A 10 -4.465 8.144 -17.488 1.00 4.54 H new ATOM 144 N LYS A 11 -2.459 3.988 -13.937 1.00 2.37 N ATOM 145 CA LYS A 11 -2.548 2.518 -13.673 1.00 2.30 C ATOM 146 C LYS A 11 -3.253 2.249 -12.342 1.00 2.07 C ATOM 147 O LYS A 11 -3.463 3.145 -11.545 1.00 2.11 O ATOM 148 CB LYS A 11 -1.133 1.911 -13.640 1.00 2.32 C ATOM 149 CG LYS A 11 -0.268 2.676 -12.630 1.00 2.28 C ATOM 150 CD LYS A 11 1.067 1.953 -12.412 1.00 3.02 C ATOM 151 CE LYS A 11 2.089 2.379 -13.477 1.00 2.99 C ATOM 152 NZ LYS A 11 3.375 1.654 -13.265 1.00 4.00 N ATOM 0 H LYS A 11 -1.753 4.493 -13.401 1.00 2.37 H new ATOM 0 HA LYS A 11 -3.127 2.056 -14.473 1.00 2.30 H new ATOM 0 HB2 LYS A 11 -1.185 0.857 -13.365 1.00 2.32 H new ATOM 0 HB3 LYS A 11 -0.682 1.960 -14.631 1.00 2.32 H new ATOM 0 HG2 LYS A 11 -0.086 3.688 -12.991 1.00 2.28 H new ATOM 0 HG3 LYS A 11 -0.799 2.766 -11.682 1.00 2.28 H new ATOM 0 HD2 LYS A 11 1.452 2.180 -11.418 1.00 3.02 H new ATOM 0 HD3 LYS A 11 0.915 0.875 -12.456 1.00 3.02 H new ATOM 0 HE2 LYS A 11 1.701 2.165 -14.473 1.00 2.99 H new ATOM 0 HE3 LYS A 11 2.255 3.455 -13.424 1.00 2.99 H new ATOM 0 HZ1 LYS A 11 4.151 2.341 -13.179 1.00 4.00 H new ATOM 0 HZ2 LYS A 11 3.315 1.088 -12.394 1.00 4.00 H new ATOM 0 HZ3 LYS A 11 3.557 1.026 -14.074 1.00 4.00 H new ATOM 166 N VAL A 12 -3.610 1.009 -12.131 1.00 1.95 N ATOM 167 CA VAL A 12 -4.305 0.623 -10.861 1.00 1.75 C ATOM 168 C VAL A 12 -3.648 -0.642 -10.313 1.00 1.76 C ATOM 169 O VAL A 12 -3.105 -1.409 -11.085 1.00 2.08 O ATOM 170 CB VAL A 12 -5.787 0.316 -11.174 1.00 1.84 C ATOM 171 CG1 VAL A 12 -6.585 0.080 -9.881 1.00 2.17 C ATOM 172 CG2 VAL A 12 -6.409 1.488 -11.945 1.00 2.51 C ATOM 0 H VAL A 12 -3.451 0.242 -12.784 1.00 1.95 H new ATOM 0 HA VAL A 12 -4.237 1.432 -10.134 1.00 1.75 H new ATOM 0 HB VAL A 12 -5.826 -0.589 -11.780 1.00 1.84 H new ATOM 0 HG11 VAL A 12 -7.625 -0.134 -10.129 1.00 2.17 H new ATOM 0 HG12 VAL A 12 -6.160 -0.765 -9.340 1.00 2.17 H new ATOM 0 HG13 VAL A 12 -6.537 0.972 -9.256 1.00 2.17 H new ATOM 0 HG21 VAL A 12 -7.454 1.266 -12.163 1.00 2.51 H new ATOM 0 HG22 VAL A 12 -6.348 2.394 -11.341 1.00 2.51 H new ATOM 0 HG23 VAL A 12 -5.867 1.638 -12.879 1.00 2.51 H new ATOM 182 N PHE A 13 -3.679 -0.830 -9.020 1.00 1.69 N ATOM 183 CA PHE A 13 -3.094 -2.081 -8.444 1.00 1.84 C ATOM 184 C PHE A 13 -3.446 -2.215 -6.964 1.00 1.16 C ATOM 185 O PHE A 13 -4.015 -1.309 -6.373 1.00 1.04 O ATOM 186 CB PHE A 13 -1.567 -2.158 -8.656 1.00 2.60 C ATOM 187 CG PHE A 13 -0.793 -0.871 -8.331 1.00 1.54 C ATOM 188 CD1 PHE A 13 -1.321 0.179 -7.589 1.00 2.07 C ATOM 189 CD2 PHE A 13 0.517 -0.794 -8.754 1.00 1.36 C ATOM 190 CE1 PHE A 13 -0.534 1.276 -7.282 1.00 2.65 C ATOM 191 CE2 PHE A 13 1.294 0.293 -8.450 1.00 1.45 C ATOM 192 CZ PHE A 13 0.779 1.327 -7.715 1.00 2.31 C ATOM 0 H PHE A 13 -4.079 -0.181 -8.343 1.00 1.69 H new ATOM 0 HA PHE A 13 -3.536 -2.920 -8.981 1.00 1.84 H new ATOM 0 HB2 PHE A 13 -1.172 -2.966 -8.040 1.00 2.60 H new ATOM 0 HB3 PHE A 13 -1.374 -2.426 -9.695 1.00 2.60 H new ATOM 0 HD1 PHE A 13 -2.346 0.139 -7.252 1.00 2.07 H new ATOM 0 HD2 PHE A 13 0.937 -1.603 -9.334 1.00 1.36 H new ATOM 0 HE1 PHE A 13 -0.945 2.091 -6.705 1.00 2.65 H new ATOM 0 HE2 PHE A 13 2.318 0.334 -8.792 1.00 1.45 H new ATOM 0 HZ PHE A 13 1.396 2.180 -7.474 1.00 2.31 H new ATOM 202 N ARG A 14 -3.115 -3.346 -6.393 1.00 0.99 N ATOM 203 CA ARG A 14 -3.434 -3.586 -4.971 1.00 0.79 C ATOM 204 C ARG A 14 -2.240 -4.114 -4.162 1.00 0.79 C ATOM 205 O ARG A 14 -1.272 -4.600 -4.720 1.00 1.06 O ATOM 206 CB ARG A 14 -4.504 -4.663 -4.947 1.00 1.22 C ATOM 207 CG ARG A 14 -5.690 -4.277 -5.831 1.00 1.66 C ATOM 208 CD ARG A 14 -6.820 -5.264 -5.533 1.00 1.74 C ATOM 209 NE ARG A 14 -6.400 -6.646 -5.906 1.00 1.92 N ATOM 210 CZ ARG A 14 -6.309 -7.553 -4.983 1.00 3.20 C ATOM 211 NH1 ARG A 14 -7.128 -7.487 -3.975 1.00 4.64 N ATOM 212 NH2 ARG A 14 -5.398 -8.461 -5.100 1.00 4.00 N ATOM 0 H ARG A 14 -2.634 -4.113 -6.863 1.00 0.99 H new ATOM 0 HA ARG A 14 -3.741 -2.640 -4.525 1.00 0.79 H new ATOM 0 HB2 ARG A 14 -4.082 -5.607 -5.291 1.00 1.22 H new ATOM 0 HB3 ARG A 14 -4.845 -4.820 -3.923 1.00 1.22 H new ATOM 0 HG2 ARG A 14 -6.008 -3.255 -5.623 1.00 1.66 H new ATOM 0 HG3 ARG A 14 -5.413 -4.317 -6.884 1.00 1.66 H new ATOM 0 HD2 ARG A 14 -7.078 -5.226 -4.475 1.00 1.74 H new ATOM 0 HD3 ARG A 14 -7.715 -4.984 -6.089 1.00 1.74 H new ATOM 0 HE ARG A 14 -6.187 -6.875 -6.877 1.00 1.92 H new ATOM 0 HH11 ARG A 14 -7.817 -6.737 -3.926 1.00 4.64 H new ATOM 0 HH12 ARG A 14 -7.081 -8.186 -3.233 1.00 4.64 H new ATOM 0 HH21 ARG A 14 -4.771 -8.454 -5.904 1.00 4.00 H new ATOM 0 HH22 ARG A 14 -5.306 -9.185 -4.388 1.00 4.00 H new ATOM 226 N VAL A 15 -2.382 -4.062 -2.862 1.00 0.72 N ATOM 227 CA VAL A 15 -1.331 -4.590 -1.936 1.00 0.76 C ATOM 228 C VAL A 15 -1.993 -5.763 -1.207 1.00 0.73 C ATOM 229 O VAL A 15 -3.202 -5.742 -1.017 1.00 0.86 O ATOM 230 CB VAL A 15 -0.918 -3.517 -0.908 1.00 0.87 C ATOM 231 CG1 VAL A 15 0.251 -4.038 -0.058 1.00 1.24 C ATOM 232 CG2 VAL A 15 -0.487 -2.233 -1.629 1.00 1.09 C ATOM 0 H VAL A 15 -3.198 -3.668 -2.393 1.00 0.72 H new ATOM 0 HA VAL A 15 -0.433 -4.883 -2.479 1.00 0.76 H new ATOM 0 HB VAL A 15 -1.771 -3.299 -0.265 1.00 0.87 H new ATOM 0 HG11 VAL A 15 0.541 -3.278 0.667 1.00 1.24 H new ATOM 0 HG12 VAL A 15 -0.056 -4.942 0.467 1.00 1.24 H new ATOM 0 HG13 VAL A 15 1.099 -4.264 -0.705 1.00 1.24 H new ATOM 0 HG21 VAL A 15 -0.198 -1.482 -0.894 1.00 1.09 H new ATOM 0 HG22 VAL A 15 0.360 -2.448 -2.280 1.00 1.09 H new ATOM 0 HG23 VAL A 15 -1.317 -1.855 -2.226 1.00 1.09 H new ATOM 242 N ASN A 16 -1.235 -6.744 -0.802 1.00 0.80 N ATOM 243 CA ASN A 16 -1.870 -7.897 -0.106 1.00 0.79 C ATOM 244 C ASN A 16 -1.496 -7.889 1.361 1.00 0.79 C ATOM 245 O ASN A 16 -0.337 -7.937 1.698 1.00 1.30 O ATOM 246 CB ASN A 16 -1.394 -9.209 -0.728 1.00 0.97 C ATOM 247 CG ASN A 16 -2.085 -10.373 -0.019 1.00 2.33 C ATOM 248 OD1 ASN A 16 -3.135 -10.811 -0.430 1.00 2.61 O ATOM 249 ND2 ASN A 16 -1.552 -10.877 1.046 1.00 3.97 N ATOM 0 H ASN A 16 -0.223 -6.798 -0.920 1.00 0.80 H new ATOM 0 HA ASN A 16 -2.952 -7.810 -0.210 1.00 0.79 H new ATOM 0 HB2 ASN A 16 -1.624 -9.226 -1.793 1.00 0.97 H new ATOM 0 HB3 ASN A 16 -0.312 -9.300 -0.634 1.00 0.97 H new ATOM 0 HD21 ASN A 16 -2.017 -11.641 1.536 1.00 3.97 H new ATOM 0 HD22 ASN A 16 -0.667 -10.510 1.396 1.00 3.97 H new ATOM 256 N VAL A 17 -2.489 -7.931 2.181 1.00 0.74 N ATOM 257 CA VAL A 17 -2.233 -7.911 3.628 1.00 0.88 C ATOM 258 C VAL A 17 -2.364 -9.345 4.112 1.00 0.96 C ATOM 259 O VAL A 17 -3.444 -9.802 4.438 1.00 1.16 O ATOM 260 CB VAL A 17 -3.266 -6.992 4.285 1.00 0.95 C ATOM 261 CG1 VAL A 17 -2.903 -6.812 5.750 1.00 1.40 C ATOM 262 CG2 VAL A 17 -3.237 -5.623 3.588 1.00 1.38 C ATOM 0 H VAL A 17 -3.471 -7.979 1.910 1.00 0.74 H new ATOM 0 HA VAL A 17 -1.242 -7.533 3.879 1.00 0.88 H new ATOM 0 HB VAL A 17 -4.261 -7.428 4.199 1.00 0.95 H new ATOM 0 HG11 VAL A 17 -3.633 -6.159 6.228 1.00 1.40 H new ATOM 0 HG12 VAL A 17 -2.904 -7.782 6.247 1.00 1.40 H new ATOM 0 HG13 VAL A 17 -1.911 -6.366 5.827 1.00 1.40 H new ATOM 0 HG21 VAL A 17 -3.971 -4.963 4.051 1.00 1.38 H new ATOM 0 HG22 VAL A 17 -2.243 -5.186 3.686 1.00 1.38 H new ATOM 0 HG23 VAL A 17 -3.476 -5.747 2.532 1.00 1.38 H new ATOM 272 N GLU A 18 -1.254 -10.022 4.117 1.00 0.96 N ATOM 273 CA GLU A 18 -1.246 -11.448 4.547 1.00 1.08 C ATOM 274 C GLU A 18 -0.989 -11.518 6.048 1.00 0.88 C ATOM 275 O GLU A 18 -1.701 -12.190 6.765 1.00 0.96 O ATOM 276 CB GLU A 18 -0.133 -12.188 3.781 1.00 1.39 C ATOM 277 CG GLU A 18 -0.373 -13.711 3.820 1.00 2.51 C ATOM 278 CD GLU A 18 -1.736 -14.067 3.198 1.00 3.14 C ATOM 279 OE1 GLU A 18 -2.101 -13.381 2.253 1.00 3.07 O ATOM 280 OE2 GLU A 18 -2.322 -15.017 3.688 1.00 4.67 O ATOM 0 H GLU A 18 -0.346 -9.649 3.841 1.00 0.96 H new ATOM 0 HA GLU A 18 -2.207 -11.916 4.331 1.00 1.08 H new ATOM 0 HB2 GLU A 18 -0.105 -11.845 2.747 1.00 1.39 H new ATOM 0 HB3 GLU A 18 0.837 -11.955 4.221 1.00 1.39 H new ATOM 0 HG2 GLU A 18 0.423 -14.223 3.279 1.00 2.51 H new ATOM 0 HG3 GLU A 18 -0.336 -14.063 4.851 1.00 2.51 H new ATOM 287 N ASP A 19 -0.011 -10.785 6.495 1.00 0.81 N ATOM 288 CA ASP A 19 0.330 -10.784 7.948 1.00 0.93 C ATOM 289 C ASP A 19 0.397 -9.366 8.444 1.00 0.80 C ATOM 290 O ASP A 19 0.273 -8.405 7.701 1.00 0.90 O ATOM 291 CB ASP A 19 1.686 -11.498 8.164 1.00 1.26 C ATOM 292 CG ASP A 19 2.400 -11.207 9.485 1.00 1.86 C ATOM 293 OD1 ASP A 19 1.866 -11.637 10.499 1.00 3.05 O ATOM 294 OD2 ASP A 19 3.448 -10.592 9.405 1.00 2.65 O ATOM 0 H ASP A 19 0.572 -10.182 5.915 1.00 0.81 H new ATOM 0 HA ASP A 19 -0.438 -11.318 8.507 1.00 0.93 H new ATOM 0 HB2 ASP A 19 1.522 -12.573 8.093 1.00 1.26 H new ATOM 0 HB3 ASP A 19 2.352 -11.222 7.347 1.00 1.26 H new ATOM 299 N GLU A 20 0.632 -9.309 9.700 1.00 0.89 N ATOM 300 CA GLU A 20 0.739 -8.003 10.392 1.00 0.89 C ATOM 301 C GLU A 20 1.880 -7.213 9.768 1.00 0.82 C ATOM 302 O GLU A 20 1.737 -6.047 9.459 1.00 0.80 O ATOM 303 CB GLU A 20 1.026 -8.241 11.875 1.00 1.01 C ATOM 304 CG GLU A 20 1.169 -6.887 12.590 1.00 1.91 C ATOM 305 CD GLU A 20 -0.159 -6.106 12.557 1.00 2.60 C ATOM 306 OE1 GLU A 20 -1.189 -6.756 12.602 1.00 2.84 O ATOM 307 OE2 GLU A 20 -0.072 -4.891 12.504 1.00 3.91 O ATOM 0 H GLU A 20 0.759 -10.124 10.300 1.00 0.89 H new ATOM 0 HA GLU A 20 -0.192 -7.446 10.292 1.00 0.89 H new ATOM 0 HB2 GLU A 20 0.219 -8.819 12.325 1.00 1.01 H new ATOM 0 HB3 GLU A 20 1.939 -8.825 11.991 1.00 1.01 H new ATOM 0 HG2 GLU A 20 1.476 -7.047 13.624 1.00 1.91 H new ATOM 0 HG3 GLU A 20 1.953 -6.300 12.112 1.00 1.91 H new ATOM 314 N ASN A 21 2.992 -7.880 9.604 1.00 0.93 N ATOM 315 CA ASN A 21 4.192 -7.212 9.005 1.00 0.96 C ATOM 316 C ASN A 21 3.779 -6.366 7.793 1.00 0.85 C ATOM 317 O ASN A 21 4.180 -5.223 7.662 1.00 0.83 O ATOM 318 CB ASN A 21 5.193 -8.293 8.576 1.00 1.15 C ATOM 319 CG ASN A 21 6.565 -7.698 8.221 1.00 1.55 C ATOM 320 OD1 ASN A 21 6.698 -6.428 7.985 1.00 2.03 O flip ATOM 321 ND2 ASN A 21 7.546 -8.408 8.147 1.00 2.45 N flip ATOM 0 H ASN A 21 3.124 -8.859 9.858 1.00 0.93 H new ATOM 0 HA ASN A 21 4.651 -6.553 9.742 1.00 0.96 H new ATOM 0 HB2 ASN A 21 5.310 -9.019 9.381 1.00 1.15 H new ATOM 0 HB3 ASN A 21 4.798 -8.832 7.715 1.00 1.15 H new ATOM 0 HD21 ASN A 21 7.466 -9.409 8.328 1.00 2.45 H new ATOM 0 HD22 ASN A 21 8.451 -8.004 7.904 1.00 2.45 H new ATOM 328 N ASP A 22 2.967 -6.942 6.943 1.00 0.86 N ATOM 329 CA ASP A 22 2.526 -6.190 5.734 1.00 0.81 C ATOM 330 C ASP A 22 1.759 -4.951 6.167 1.00 0.77 C ATOM 331 O ASP A 22 1.947 -3.896 5.612 1.00 0.88 O ATOM 332 CB ASP A 22 1.608 -7.075 4.876 1.00 0.81 C ATOM 333 CG ASP A 22 1.183 -6.312 3.619 1.00 1.76 C ATOM 334 OD1 ASP A 22 0.184 -5.628 3.710 1.00 3.17 O ATOM 335 OD2 ASP A 22 1.901 -6.440 2.645 1.00 2.46 O ATOM 0 H ASP A 22 2.596 -7.888 7.033 1.00 0.86 H new ATOM 0 HA ASP A 22 3.401 -5.902 5.151 1.00 0.81 H new ATOM 0 HB2 ASP A 22 2.127 -7.992 4.598 1.00 0.81 H new ATOM 0 HB3 ASP A 22 0.729 -7.368 5.450 1.00 0.81 H new ATOM 340 N ILE A 23 0.920 -5.104 7.150 1.00 0.71 N ATOM 341 CA ILE A 23 0.122 -3.925 7.620 1.00 0.71 C ATOM 342 C ILE A 23 1.072 -2.846 8.145 1.00 0.72 C ATOM 343 O ILE A 23 0.923 -1.667 7.848 1.00 0.88 O ATOM 344 CB ILE A 23 -0.843 -4.376 8.731 1.00 0.74 C ATOM 345 CG1 ILE A 23 -1.636 -5.585 8.228 1.00 0.90 C ATOM 346 CG2 ILE A 23 -1.823 -3.235 9.045 1.00 0.93 C ATOM 347 CD1 ILE A 23 -2.482 -6.187 9.344 1.00 0.98 C ATOM 0 H ILE A 23 0.749 -5.978 7.647 1.00 0.71 H new ATOM 0 HA ILE A 23 -0.457 -3.513 6.793 1.00 0.71 H new ATOM 0 HB ILE A 23 -0.282 -4.637 9.628 1.00 0.74 H new ATOM 0 HG12 ILE A 23 -2.279 -5.284 7.401 1.00 0.90 H new ATOM 0 HG13 ILE A 23 -0.950 -6.338 7.840 1.00 0.90 H new ATOM 0 HG21 ILE A 23 -2.509 -3.550 9.832 1.00 0.93 H new ATOM 0 HG22 ILE A 23 -1.267 -2.359 9.378 1.00 0.93 H new ATOM 0 HG23 ILE A 23 -2.390 -2.985 8.148 1.00 0.93 H new ATOM 0 HD11 ILE A 23 -3.035 -7.044 8.959 1.00 0.98 H new ATOM 0 HD12 ILE A 23 -1.834 -6.509 10.159 1.00 0.98 H new ATOM 0 HD13 ILE A 23 -3.183 -5.439 9.713 1.00 0.98 H new ATOM 359 N SER A 24 2.020 -3.290 8.922 1.00 0.68 N ATOM 360 CA SER A 24 3.034 -2.368 9.507 1.00 0.74 C ATOM 361 C SER A 24 3.820 -1.674 8.387 1.00 0.73 C ATOM 362 O SER A 24 3.747 -0.471 8.211 1.00 0.94 O ATOM 363 CB SER A 24 3.972 -3.217 10.378 1.00 0.83 C ATOM 364 OG SER A 24 5.081 -2.375 10.653 1.00 2.38 O ATOM 0 H SER A 24 2.137 -4.270 9.181 1.00 0.68 H new ATOM 0 HA SER A 24 2.557 -1.592 10.106 1.00 0.74 H new ATOM 0 HB2 SER A 24 3.479 -3.533 11.297 1.00 0.83 H new ATOM 0 HB3 SER A 24 4.283 -4.122 9.856 1.00 0.83 H new ATOM 0 HG SER A 24 5.851 -2.665 10.121 1.00 2.38 H new ATOM 370 N GLU A 25 4.576 -2.453 7.676 1.00 0.76 N ATOM 371 CA GLU A 25 5.380 -1.904 6.556 1.00 0.84 C ATOM 372 C GLU A 25 4.495 -1.121 5.588 1.00 0.89 C ATOM 373 O GLU A 25 4.816 -0.004 5.259 1.00 0.95 O ATOM 374 CB GLU A 25 6.072 -3.093 5.879 1.00 1.14 C ATOM 375 CG GLU A 25 7.445 -3.359 6.552 1.00 1.43 C ATOM 376 CD GLU A 25 7.349 -3.258 8.089 1.00 2.83 C ATOM 377 OE1 GLU A 25 6.474 -3.912 8.644 1.00 4.12 O ATOM 378 OE2 GLU A 25 8.162 -2.541 8.637 1.00 3.66 O ATOM 0 H GLU A 25 4.673 -3.458 7.824 1.00 0.76 H new ATOM 0 HA GLU A 25 6.128 -1.197 6.914 1.00 0.84 H new ATOM 0 HB2 GLU A 25 5.443 -3.980 5.952 1.00 1.14 H new ATOM 0 HB3 GLU A 25 6.211 -2.888 4.818 1.00 1.14 H new ATOM 0 HG2 GLU A 25 7.803 -4.350 6.273 1.00 1.43 H new ATOM 0 HG3 GLU A 25 8.177 -2.641 6.184 1.00 1.43 H new ATOM 385 N LEU A 26 3.385 -1.675 5.169 1.00 0.98 N ATOM 386 CA LEU A 26 2.517 -0.922 4.237 1.00 1.12 C ATOM 387 C LEU A 26 2.132 0.411 4.889 1.00 1.05 C ATOM 388 O LEU A 26 2.283 1.451 4.279 1.00 1.21 O ATOM 389 CB LEU A 26 1.273 -1.778 3.952 1.00 1.23 C ATOM 390 CG LEU A 26 0.185 -0.940 3.297 1.00 1.02 C ATOM 391 CD1 LEU A 26 0.648 -0.410 1.929 1.00 1.75 C ATOM 392 CD2 LEU A 26 -1.077 -1.801 3.131 1.00 2.00 C ATOM 0 H LEU A 26 3.053 -2.603 5.432 1.00 0.98 H new ATOM 0 HA LEU A 26 3.029 -0.710 3.298 1.00 1.12 H new ATOM 0 HB2 LEU A 26 1.539 -2.611 3.301 1.00 1.23 H new ATOM 0 HB3 LEU A 26 0.899 -2.207 4.882 1.00 1.23 H new ATOM 0 HG LEU A 26 -0.033 -0.081 3.932 1.00 1.02 H new ATOM 0 HD11 LEU A 26 -0.147 0.186 1.481 1.00 1.75 H new ATOM 0 HD12 LEU A 26 1.535 0.209 2.060 1.00 1.75 H new ATOM 0 HD13 LEU A 26 0.885 -1.249 1.275 1.00 1.75 H new ATOM 0 HD21 LEU A 26 -1.863 -1.208 2.662 1.00 2.00 H new ATOM 0 HD22 LEU A 26 -0.849 -2.663 2.504 1.00 2.00 H new ATOM 0 HD23 LEU A 26 -1.415 -2.143 4.109 1.00 2.00 H new ATOM 404 N HIS A 27 1.657 0.334 6.112 1.00 0.91 N ATOM 405 CA HIS A 27 1.233 1.566 6.868 1.00 0.98 C ATOM 406 C HIS A 27 2.113 2.767 6.528 1.00 1.06 C ATOM 407 O HIS A 27 1.621 3.766 6.044 1.00 1.46 O ATOM 408 CB HIS A 27 1.321 1.299 8.379 1.00 0.91 C ATOM 409 CG HIS A 27 -0.029 1.258 9.089 1.00 0.80 C ATOM 410 ND1 HIS A 27 -0.386 2.197 9.917 1.00 1.30 N ATOM 411 CD2 HIS A 27 -1.046 0.345 9.070 1.00 1.15 C ATOM 412 CE1 HIS A 27 -1.567 1.900 10.409 1.00 1.35 C ATOM 413 NE2 HIS A 27 -1.964 0.767 9.887 1.00 1.08 N ATOM 0 H HIS A 27 1.543 -0.539 6.627 1.00 0.91 H new ATOM 0 HA HIS A 27 0.208 1.796 6.578 1.00 0.98 H new ATOM 0 HB2 HIS A 27 1.832 0.349 8.539 1.00 0.91 H new ATOM 0 HB3 HIS A 27 1.936 2.073 8.838 1.00 0.91 H new ATOM 0 HD2 HIS A 27 -1.080 -0.561 8.483 1.00 1.15 H new ATOM 0 HE1 HIS A 27 -2.118 2.492 11.125 1.00 1.35 H new ATOM 0 HE2 HIS A 27 -2.846 0.295 10.088 1.00 1.08 H new ATOM 421 N GLU A 28 3.377 2.637 6.828 1.00 0.84 N ATOM 422 CA GLU A 28 4.359 3.727 6.558 1.00 1.00 C ATOM 423 C GLU A 28 4.035 4.477 5.251 1.00 1.15 C ATOM 424 O GLU A 28 4.110 5.694 5.182 1.00 1.43 O ATOM 425 CB GLU A 28 5.754 3.083 6.511 1.00 0.90 C ATOM 426 CG GLU A 28 6.820 4.189 6.469 1.00 1.84 C ATOM 427 CD GLU A 28 6.825 4.988 7.789 1.00 2.76 C ATOM 428 OE1 GLU A 28 6.297 4.463 8.763 1.00 3.17 O ATOM 429 OE2 GLU A 28 7.372 6.075 7.754 1.00 3.96 O ATOM 0 H GLU A 28 3.779 1.804 7.258 1.00 0.84 H new ATOM 0 HA GLU A 28 4.315 4.477 7.347 1.00 1.00 H new ATOM 0 HB2 GLU A 28 5.905 2.449 7.385 1.00 0.90 H new ATOM 0 HB3 GLU A 28 5.843 2.442 5.634 1.00 0.90 H new ATOM 0 HG2 GLU A 28 7.803 3.748 6.300 1.00 1.84 H new ATOM 0 HG3 GLU A 28 6.624 4.859 5.632 1.00 1.84 H new ATOM 436 N LEU A 29 3.731 3.724 4.227 1.00 1.06 N ATOM 437 CA LEU A 29 3.382 4.342 2.912 1.00 1.28 C ATOM 438 C LEU A 29 2.500 5.582 3.121 1.00 1.26 C ATOM 439 O LEU A 29 2.787 6.635 2.579 1.00 1.61 O ATOM 440 CB LEU A 29 2.652 3.292 2.055 1.00 1.47 C ATOM 441 CG LEU A 29 2.134 3.881 0.724 1.00 1.91 C ATOM 442 CD1 LEU A 29 3.214 4.726 0.028 1.00 2.01 C ATOM 443 CD2 LEU A 29 1.744 2.718 -0.202 1.00 2.75 C ATOM 0 H LEU A 29 3.709 2.704 4.244 1.00 1.06 H new ATOM 0 HA LEU A 29 4.289 4.663 2.400 1.00 1.28 H new ATOM 0 HB2 LEU A 29 3.328 2.464 1.845 1.00 1.47 H new ATOM 0 HB3 LEU A 29 1.814 2.884 2.620 1.00 1.47 H new ATOM 0 HG LEU A 29 1.279 4.523 0.935 1.00 1.91 H new ATOM 0 HD11 LEU A 29 2.818 5.126 -0.905 1.00 2.01 H new ATOM 0 HD12 LEU A 29 3.508 5.549 0.679 1.00 2.01 H new ATOM 0 HD13 LEU A 29 4.083 4.103 -0.184 1.00 2.01 H new ATOM 0 HD21 LEU A 29 1.375 3.114 -1.148 1.00 2.75 H new ATOM 0 HD22 LEU A 29 2.617 2.091 -0.386 1.00 2.75 H new ATOM 0 HD23 LEU A 29 0.963 2.123 0.271 1.00 2.75 H new ATOM 455 N ALA A 30 1.504 5.468 3.959 1.00 1.12 N ATOM 456 CA ALA A 30 0.600 6.638 4.185 1.00 1.34 C ATOM 457 C ALA A 30 1.235 7.655 5.150 1.00 1.29 C ATOM 458 O ALA A 30 0.560 8.289 5.940 1.00 1.56 O ATOM 459 CB ALA A 30 -0.717 6.115 4.763 1.00 1.74 C ATOM 0 H ALA A 30 1.277 4.628 4.491 1.00 1.12 H new ATOM 0 HA ALA A 30 0.427 7.151 3.239 1.00 1.34 H new ATOM 0 HB1 ALA A 30 -1.395 6.950 4.937 1.00 1.74 H new ATOM 0 HB2 ALA A 30 -1.172 5.419 4.059 1.00 1.74 H new ATOM 0 HB3 ALA A 30 -0.523 5.603 5.705 1.00 1.74 H new ATOM 465 N SER A 31 2.525 7.757 5.100 1.00 1.85 N ATOM 466 CA SER A 31 3.241 8.730 5.977 1.00 2.04 C ATOM 467 C SER A 31 4.437 9.287 5.213 1.00 2.25 C ATOM 468 O SER A 31 4.673 10.481 5.172 1.00 2.78 O ATOM 469 CB SER A 31 3.724 8.029 7.257 1.00 2.22 C ATOM 470 OG SER A 31 2.532 7.639 7.942 1.00 2.48 O ATOM 0 H SER A 31 3.126 7.207 4.486 1.00 1.85 H new ATOM 0 HA SER A 31 2.566 9.539 6.256 1.00 2.04 H new ATOM 0 HB2 SER A 31 4.344 7.164 7.022 1.00 2.22 H new ATOM 0 HB3 SER A 31 4.329 8.699 7.869 1.00 2.22 H new ATOM 0 HG SER A 31 2.769 7.180 8.775 1.00 2.48 H new ATOM 476 N THR A 32 5.130 8.391 4.564 1.00 2.25 N ATOM 477 CA THR A 32 6.345 8.795 3.796 1.00 2.89 C ATOM 478 C THR A 32 6.014 9.247 2.344 1.00 3.02 C ATOM 479 O THR A 32 6.824 9.896 1.707 1.00 3.68 O ATOM 480 CB THR A 32 7.307 7.590 3.859 1.00 3.15 C ATOM 481 OG1 THR A 32 8.514 7.958 3.194 1.00 3.79 O ATOM 482 CG2 THR A 32 6.763 6.393 3.090 1.00 4.17 C ATOM 0 H THR A 32 4.908 7.396 4.532 1.00 2.25 H new ATOM 0 HA THR A 32 6.812 9.677 4.234 1.00 2.89 H new ATOM 0 HB THR A 32 7.446 7.328 4.908 1.00 3.15 H new ATOM 0 HG1 THR A 32 9.120 7.188 3.165 1.00 3.79 H new ATOM 0 HG21 THR A 32 7.469 5.565 3.158 1.00 4.17 H new ATOM 0 HG22 THR A 32 5.807 6.090 3.517 1.00 4.17 H new ATOM 0 HG23 THR A 32 6.624 6.665 2.044 1.00 4.17 H new ATOM 490 N ARG A 33 4.852 8.907 1.827 1.00 2.78 N ATOM 491 CA ARG A 33 4.507 9.350 0.426 1.00 3.21 C ATOM 492 C ARG A 33 3.174 10.102 0.406 1.00 2.08 C ATOM 493 O ARG A 33 2.456 10.109 1.380 1.00 2.30 O ATOM 494 CB ARG A 33 4.394 8.129 -0.495 1.00 4.51 C ATOM 495 CG ARG A 33 5.734 7.453 -0.607 1.00 6.07 C ATOM 496 CD ARG A 33 6.480 8.160 -1.734 1.00 7.64 C ATOM 497 NE ARG A 33 7.934 8.107 -1.515 1.00 9.08 N ATOM 498 CZ ARG A 33 8.444 7.543 -0.452 1.00 9.91 C ATOM 499 NH1 ARG A 33 8.485 8.250 0.641 1.00 10.23 N ATOM 500 NH2 ARG A 33 8.820 6.292 -0.508 1.00 10.80 N ATOM 0 H ARG A 33 4.138 8.353 2.301 1.00 2.78 H new ATOM 0 HA ARG A 33 5.300 10.012 0.078 1.00 3.21 H new ATOM 0 HB2 ARG A 33 3.655 7.431 -0.101 1.00 4.51 H new ATOM 0 HB3 ARG A 33 4.047 8.436 -1.482 1.00 4.51 H new ATOM 0 HG2 ARG A 33 6.286 7.527 0.330 1.00 6.07 H new ATOM 0 HG3 ARG A 33 5.617 6.392 -0.825 1.00 6.07 H new ATOM 0 HD2 ARG A 33 6.234 7.692 -2.687 1.00 7.64 H new ATOM 0 HD3 ARG A 33 6.155 9.199 -1.795 1.00 7.64 H new ATOM 0 HE ARG A 33 8.558 8.520 -2.208 1.00 9.08 H new ATOM 0 HH11 ARG A 33 8.127 9.205 0.644 1.00 10.23 H new ATOM 0 HH12 ARG A 33 8.875 7.849 1.494 1.00 10.23 H new ATOM 0 HH21 ARG A 33 8.714 5.766 -1.375 1.00 10.80 H new ATOM 0 HH22 ARG A 33 9.219 5.842 0.316 1.00 10.80 H new ATOM 514 N GLN A 34 2.867 10.697 -0.721 1.00 2.19 N ATOM 515 CA GLN A 34 1.584 11.457 -0.851 1.00 2.18 C ATOM 516 C GLN A 34 0.747 10.762 -1.933 1.00 1.95 C ATOM 517 O GLN A 34 0.511 11.276 -3.015 1.00 2.09 O ATOM 518 CB GLN A 34 1.909 12.915 -1.227 1.00 3.42 C ATOM 519 CG GLN A 34 0.764 13.838 -0.785 1.00 4.07 C ATOM 520 CD GLN A 34 1.231 15.295 -0.863 1.00 5.19 C ATOM 521 OE1 GLN A 34 1.629 15.772 -1.900 1.00 6.06 O ATOM 522 NE2 GLN A 34 1.205 16.036 0.204 1.00 5.94 N ATOM 0 H GLN A 34 3.450 10.689 -1.558 1.00 2.19 H new ATOM 0 HA GLN A 34 1.019 11.472 0.081 1.00 2.18 H new ATOM 0 HB2 GLN A 34 2.840 13.223 -0.751 1.00 3.42 H new ATOM 0 HB3 GLN A 34 2.059 12.997 -2.304 1.00 3.42 H new ATOM 0 HG2 GLN A 34 -0.107 13.688 -1.424 1.00 4.07 H new ATOM 0 HG3 GLN A 34 0.458 13.596 0.233 1.00 4.07 H new ATOM 0 HE21 GLN A 34 0.872 15.648 1.086 1.00 5.94 H new ATOM 0 HE22 GLN A 34 1.518 17.006 0.159 1.00 5.94 H new ATOM 531 N ILE A 35 0.328 9.574 -1.595 1.00 1.74 N ATOM 532 CA ILE A 35 -0.484 8.754 -2.545 1.00 1.58 C ATOM 533 C ILE A 35 -1.973 8.807 -2.185 1.00 1.55 C ATOM 534 O ILE A 35 -2.372 9.532 -1.293 1.00 1.88 O ATOM 535 CB ILE A 35 -0.004 7.296 -2.466 1.00 1.48 C ATOM 536 CG1 ILE A 35 -0.241 6.739 -1.048 1.00 1.36 C ATOM 537 CG2 ILE A 35 1.497 7.244 -2.762 1.00 1.92 C ATOM 538 CD1 ILE A 35 -0.704 5.283 -1.146 1.00 1.55 C ATOM 0 H ILE A 35 0.513 9.131 -0.695 1.00 1.74 H new ATOM 0 HA ILE A 35 -0.357 9.153 -3.551 1.00 1.58 H new ATOM 0 HB ILE A 35 -0.558 6.701 -3.192 1.00 1.48 H new ATOM 0 HG12 ILE A 35 0.676 6.802 -0.462 1.00 1.36 H new ATOM 0 HG13 ILE A 35 -0.991 7.337 -0.531 1.00 1.36 H new ATOM 0 HG21 ILE A 35 1.843 6.212 -2.707 1.00 1.92 H new ATOM 0 HG22 ILE A 35 1.685 7.637 -3.761 1.00 1.92 H new ATOM 0 HG23 ILE A 35 2.034 7.846 -2.029 1.00 1.92 H new ATOM 0 HD11 ILE A 35 -0.872 4.887 -0.145 1.00 1.55 H new ATOM 0 HD12 ILE A 35 -1.632 5.234 -1.716 1.00 1.55 H new ATOM 0 HD13 ILE A 35 0.062 4.691 -1.647 1.00 1.55 H new ATOM 550 N ASP A 36 -2.757 8.051 -2.903 1.00 1.43 N ATOM 551 CA ASP A 36 -4.220 8.012 -2.632 1.00 1.48 C ATOM 552 C ASP A 36 -4.610 6.580 -2.260 1.00 1.20 C ATOM 553 O ASP A 36 -3.807 5.675 -2.379 1.00 1.21 O ATOM 554 CB ASP A 36 -4.968 8.417 -3.906 1.00 1.87 C ATOM 555 CG ASP A 36 -4.647 7.415 -5.019 1.00 3.32 C ATOM 556 OD1 ASP A 36 -3.647 7.639 -5.685 1.00 4.44 O ATOM 557 OD2 ASP A 36 -5.414 6.477 -5.127 1.00 4.12 O ATOM 0 H ASP A 36 -2.444 7.456 -3.670 1.00 1.43 H new ATOM 0 HA ASP A 36 -4.473 8.693 -1.819 1.00 1.48 H new ATOM 0 HB2 ASP A 36 -6.042 8.440 -3.720 1.00 1.87 H new ATOM 0 HB3 ASP A 36 -4.675 9.422 -4.210 1.00 1.87 H new ATOM 562 N PHE A 37 -5.835 6.403 -1.833 1.00 1.33 N ATOM 563 CA PHE A 37 -6.317 5.030 -1.473 1.00 1.12 C ATOM 564 C PHE A 37 -7.691 4.797 -2.110 1.00 1.18 C ATOM 565 O PHE A 37 -8.410 5.746 -2.382 1.00 1.66 O ATOM 566 CB PHE A 37 -6.413 4.887 0.054 1.00 1.28 C ATOM 567 CG PHE A 37 -5.010 4.663 0.645 1.00 1.18 C ATOM 568 CD1 PHE A 37 -4.505 3.379 0.778 1.00 1.17 C ATOM 569 CD2 PHE A 37 -4.235 5.732 1.058 1.00 1.70 C ATOM 570 CE1 PHE A 37 -3.252 3.169 1.320 1.00 1.32 C ATOM 571 CE2 PHE A 37 -2.980 5.521 1.599 1.00 1.76 C ATOM 572 CZ PHE A 37 -2.488 4.240 1.730 1.00 1.40 C ATOM 0 H PHE A 37 -6.523 7.147 -1.717 1.00 1.33 H new ATOM 0 HA PHE A 37 -5.612 4.288 -1.847 1.00 1.12 H new ATOM 0 HB2 PHE A 37 -6.861 5.783 0.485 1.00 1.28 H new ATOM 0 HB3 PHE A 37 -7.063 4.051 0.310 1.00 1.28 H new ATOM 0 HD1 PHE A 37 -5.097 2.535 0.455 1.00 1.17 H new ATOM 0 HD2 PHE A 37 -4.613 6.739 0.957 1.00 1.70 H new ATOM 0 HE1 PHE A 37 -2.870 2.164 1.423 1.00 1.32 H new ATOM 0 HE2 PHE A 37 -2.384 6.362 1.920 1.00 1.76 H new ATOM 0 HZ PHE A 37 -1.508 4.076 2.152 1.00 1.40 H new ATOM 582 N TRP A 38 -8.016 3.555 -2.369 1.00 0.97 N ATOM 583 CA TRP A 38 -9.346 3.237 -2.988 1.00 1.10 C ATOM 584 C TRP A 38 -10.120 2.301 -2.057 1.00 1.01 C ATOM 585 O TRP A 38 -11.234 2.591 -1.677 1.00 1.15 O ATOM 586 CB TRP A 38 -9.134 2.550 -4.347 1.00 1.23 C ATOM 587 CG TRP A 38 -10.171 2.857 -5.434 1.00 1.63 C ATOM 588 CD1 TRP A 38 -11.499 3.145 -5.257 1.00 2.52 C ATOM 589 CD2 TRP A 38 -9.996 2.903 -6.794 1.00 1.92 C ATOM 590 NE1 TRP A 38 -12.071 3.354 -6.413 1.00 3.16 N ATOM 591 CE2 TRP A 38 -11.202 3.222 -7.395 1.00 2.77 C ATOM 592 CE3 TRP A 38 -8.859 2.670 -7.542 1.00 2.06 C ATOM 593 CZ2 TRP A 38 -11.295 3.319 -8.759 1.00 3.29 C ATOM 594 CZ3 TRP A 38 -8.968 2.769 -8.923 1.00 2.65 C ATOM 595 CH2 TRP A 38 -10.172 3.094 -9.523 1.00 3.10 C ATOM 0 H TRP A 38 -7.422 2.748 -2.180 1.00 0.97 H new ATOM 0 HA TRP A 38 -9.910 4.158 -3.137 1.00 1.10 H new ATOM 0 HB2 TRP A 38 -8.151 2.832 -4.723 1.00 1.23 H new ATOM 0 HB3 TRP A 38 -9.116 1.472 -4.186 1.00 1.23 H new ATOM 0 HD1 TRP A 38 -12.000 3.192 -4.301 1.00 2.52 H new ATOM 0 HE1 TRP A 38 -13.056 3.588 -6.538 1.00 3.16 H new ATOM 0 HE3 TRP A 38 -7.920 2.420 -7.071 1.00 2.06 H new ATOM 0 HZ2 TRP A 38 -12.236 3.568 -9.228 1.00 3.29 H new ATOM 0 HZ3 TRP A 38 -8.099 2.589 -9.539 1.00 2.65 H new ATOM 0 HH2 TRP A 38 -10.231 3.172 -10.599 1.00 3.10 H new ATOM 606 N LYS A 39 -9.514 1.178 -1.745 1.00 0.95 N ATOM 607 CA LYS A 39 -10.156 0.178 -0.820 1.00 1.05 C ATOM 608 C LYS A 39 -9.115 -0.241 0.228 1.00 1.15 C ATOM 609 O LYS A 39 -7.936 -0.189 -0.054 1.00 1.47 O ATOM 610 CB LYS A 39 -10.603 -1.070 -1.612 1.00 1.28 C ATOM 611 CG LYS A 39 -11.498 -0.644 -2.784 1.00 1.80 C ATOM 612 CD LYS A 39 -12.425 -1.795 -3.229 1.00 2.26 C ATOM 613 CE LYS A 39 -11.664 -2.877 -4.018 1.00 3.16 C ATOM 614 NZ LYS A 39 -10.856 -3.767 -3.127 1.00 4.34 N ATOM 0 H LYS A 39 -8.594 0.907 -2.093 1.00 0.95 H new ATOM 0 HA LYS A 39 -11.029 0.625 -0.344 1.00 1.05 H new ATOM 0 HB2 LYS A 39 -9.731 -1.608 -1.984 1.00 1.28 H new ATOM 0 HB3 LYS A 39 -11.144 -1.753 -0.958 1.00 1.28 H new ATOM 0 HG2 LYS A 39 -12.099 0.217 -2.491 1.00 1.80 H new ATOM 0 HG3 LYS A 39 -10.877 -0.329 -3.623 1.00 1.80 H new ATOM 0 HD2 LYS A 39 -12.890 -2.246 -2.352 1.00 2.26 H new ATOM 0 HD3 LYS A 39 -13.229 -1.395 -3.846 1.00 2.26 H new ATOM 0 HE2 LYS A 39 -12.376 -3.480 -4.582 1.00 3.16 H new ATOM 0 HE3 LYS A 39 -11.006 -2.399 -4.744 1.00 3.16 H new ATOM 0 HZ1 LYS A 39 -10.486 -4.567 -3.679 1.00 4.34 H new ATOM 0 HZ2 LYS A 39 -10.063 -3.228 -2.724 1.00 4.34 H new ATOM 0 HZ3 LYS A 39 -11.457 -4.126 -2.358 1.00 4.34 H new ATOM 628 N PRO A 40 -9.547 -0.690 1.393 1.00 1.15 N ATOM 629 CA PRO A 40 -10.968 -0.933 1.738 1.00 1.35 C ATOM 630 C PRO A 40 -11.602 0.329 2.330 1.00 1.80 C ATOM 631 O PRO A 40 -12.409 0.971 1.695 1.00 2.90 O ATOM 632 CB PRO A 40 -10.896 -2.065 2.773 1.00 1.95 C ATOM 633 CG PRO A 40 -9.445 -2.084 3.328 1.00 1.84 C ATOM 634 CD PRO A 40 -8.615 -1.115 2.463 1.00 1.83 C ATOM 0 HA PRO A 40 -11.583 -1.194 0.877 1.00 1.35 H new ATOM 0 HB2 PRO A 40 -11.614 -1.899 3.576 1.00 1.95 H new ATOM 0 HB3 PRO A 40 -11.146 -3.022 2.315 1.00 1.95 H new ATOM 0 HG2 PRO A 40 -9.429 -1.777 4.374 1.00 1.84 H new ATOM 0 HG3 PRO A 40 -9.029 -3.091 3.285 1.00 1.84 H new ATOM 0 HD2 PRO A 40 -8.263 -0.264 3.046 1.00 1.83 H new ATOM 0 HD3 PRO A 40 -7.733 -1.605 2.051 1.00 1.83 H new ATOM 642 N ASP A 41 -11.218 0.652 3.526 1.00 1.89 N ATOM 643 CA ASP A 41 -11.765 1.875 4.192 1.00 2.67 C ATOM 644 C ASP A 41 -10.594 2.823 4.407 1.00 2.05 C ATOM 645 O ASP A 41 -10.437 3.807 3.707 1.00 2.42 O ATOM 646 CB ASP A 41 -12.411 1.480 5.540 1.00 3.87 C ATOM 647 CG ASP A 41 -12.537 2.704 6.458 1.00 3.88 C ATOM 648 OD1 ASP A 41 -13.470 3.452 6.236 1.00 4.46 O ATOM 649 OD2 ASP A 41 -11.681 2.817 7.333 1.00 4.28 O ATOM 0 H ASP A 41 -10.545 0.123 4.081 1.00 1.89 H new ATOM 0 HA ASP A 41 -12.532 2.356 3.585 1.00 2.67 H new ATOM 0 HB2 ASP A 41 -13.396 1.047 5.364 1.00 3.87 H new ATOM 0 HB3 ASP A 41 -11.808 0.714 6.027 1.00 3.87 H new ATOM 654 N SER A 42 -9.777 2.454 5.350 1.00 1.69 N ATOM 655 CA SER A 42 -8.572 3.249 5.677 1.00 1.45 C ATOM 656 C SER A 42 -7.363 2.312 5.699 1.00 1.34 C ATOM 657 O SER A 42 -7.484 1.125 5.440 1.00 2.10 O ATOM 658 CB SER A 42 -8.766 3.884 7.063 1.00 1.75 C ATOM 659 OG SER A 42 -8.946 2.775 7.950 1.00 2.98 O ATOM 0 H SER A 42 -9.900 1.616 5.918 1.00 1.69 H new ATOM 0 HA SER A 42 -8.412 4.033 4.937 1.00 1.45 H new ATOM 0 HB2 SER A 42 -7.901 4.483 7.349 1.00 1.75 H new ATOM 0 HB3 SER A 42 -9.631 4.547 7.077 1.00 1.75 H new ATOM 0 HG SER A 42 -9.892 2.518 7.965 1.00 2.98 H new ATOM 665 N VAL A 43 -6.232 2.864 6.019 1.00 1.04 N ATOM 666 CA VAL A 43 -4.986 2.047 6.113 1.00 1.07 C ATOM 667 C VAL A 43 -4.671 1.959 7.609 1.00 1.29 C ATOM 668 O VAL A 43 -3.550 1.818 8.038 1.00 2.07 O ATOM 669 CB VAL A 43 -3.872 2.753 5.301 1.00 1.46 C ATOM 670 CG1 VAL A 43 -3.582 4.144 5.890 1.00 1.90 C ATOM 671 CG2 VAL A 43 -2.582 1.913 5.297 1.00 1.81 C ATOM 0 H VAL A 43 -6.111 3.856 6.222 1.00 1.04 H new ATOM 0 HA VAL A 43 -5.082 1.043 5.699 1.00 1.07 H new ATOM 0 HB VAL A 43 -4.221 2.863 4.274 1.00 1.46 H new ATOM 0 HG11 VAL A 43 -2.797 4.629 5.309 1.00 1.90 H new ATOM 0 HG12 VAL A 43 -4.487 4.750 5.854 1.00 1.90 H new ATOM 0 HG13 VAL A 43 -3.256 4.040 6.925 1.00 1.90 H new ATOM 0 HG21 VAL A 43 -1.814 2.429 4.721 1.00 1.81 H new ATOM 0 HG22 VAL A 43 -2.235 1.774 6.321 1.00 1.81 H new ATOM 0 HG23 VAL A 43 -2.782 0.941 4.846 1.00 1.81 H new ATOM 681 N THR A 44 -5.732 2.061 8.364 1.00 1.17 N ATOM 682 CA THR A 44 -5.649 1.995 9.847 1.00 1.42 C ATOM 683 C THR A 44 -6.498 0.812 10.309 1.00 1.39 C ATOM 684 O THR A 44 -6.052 -0.015 11.082 1.00 1.88 O ATOM 685 CB THR A 44 -6.170 3.322 10.425 1.00 1.77 C ATOM 686 OG1 THR A 44 -6.931 3.927 9.382 1.00 1.91 O ATOM 687 CG2 THR A 44 -5.023 4.309 10.649 1.00 2.16 C ATOM 0 H THR A 44 -6.677 2.191 8.002 1.00 1.17 H new ATOM 0 HA THR A 44 -4.625 1.852 10.191 1.00 1.42 H new ATOM 0 HB THR A 44 -6.706 3.122 11.353 1.00 1.77 H new ATOM 0 HG1 THR A 44 -7.687 3.348 9.151 1.00 1.91 H new ATOM 0 HG21 THR A 44 -5.418 5.239 11.058 1.00 2.16 H new ATOM 0 HG22 THR A 44 -4.306 3.880 11.349 1.00 2.16 H new ATOM 0 HG23 THR A 44 -4.527 4.512 9.700 1.00 2.16 H new ATOM 695 N GLN A 45 -7.690 0.723 9.773 1.00 1.30 N ATOM 696 CA GLN A 45 -8.584 -0.411 10.140 1.00 1.50 C ATOM 697 C GLN A 45 -8.271 -1.544 9.153 1.00 1.34 C ATOM 698 O GLN A 45 -9.140 -2.025 8.452 1.00 1.69 O ATOM 699 CB GLN A 45 -10.067 -0.002 10.003 1.00 1.89 C ATOM 700 CG GLN A 45 -10.355 1.302 10.763 1.00 2.67 C ATOM 701 CD GLN A 45 -11.875 1.498 10.899 1.00 3.23 C ATOM 702 OE1 GLN A 45 -12.496 0.979 11.803 1.00 4.00 O ATOM 703 NE2 GLN A 45 -12.515 2.213 10.018 1.00 3.78 N ATOM 0 H GLN A 45 -8.079 1.384 9.101 1.00 1.30 H new ATOM 0 HA GLN A 45 -8.419 -0.715 11.174 1.00 1.50 H new ATOM 0 HB2 GLN A 45 -10.316 0.125 8.950 1.00 1.89 H new ATOM 0 HB3 GLN A 45 -10.704 -0.799 10.387 1.00 1.89 H new ATOM 0 HG2 GLN A 45 -9.893 1.269 11.750 1.00 2.67 H new ATOM 0 HG3 GLN A 45 -9.915 2.147 10.234 1.00 2.67 H new ATOM 0 HE21 GLN A 45 -12.006 2.655 9.253 1.00 3.78 H new ATOM 0 HE22 GLN A 45 -13.525 2.331 10.093 1.00 3.78 H new ATOM 712 N ILE A 46 -7.018 -1.923 9.106 1.00 1.17 N ATOM 713 CA ILE A 46 -6.602 -3.012 8.172 1.00 1.09 C ATOM 714 C ILE A 46 -6.261 -4.282 8.964 1.00 0.99 C ATOM 715 O ILE A 46 -5.673 -4.226 10.024 1.00 1.04 O ATOM 716 CB ILE A 46 -5.372 -2.537 7.357 1.00 1.16 C ATOM 717 CG1 ILE A 46 -5.752 -1.445 6.366 1.00 1.67 C ATOM 718 CG2 ILE A 46 -4.709 -3.733 6.641 1.00 1.04 C ATOM 719 CD1 ILE A 46 -6.520 -2.056 5.224 1.00 1.63 C ATOM 0 H ILE A 46 -6.268 -1.526 9.672 1.00 1.17 H new ATOM 0 HA ILE A 46 -7.420 -3.243 7.489 1.00 1.09 H new ATOM 0 HB ILE A 46 -4.649 -2.108 8.051 1.00 1.16 H new ATOM 0 HG12 ILE A 46 -6.356 -0.684 6.860 1.00 1.67 H new ATOM 0 HG13 ILE A 46 -4.856 -0.949 5.993 1.00 1.67 H new ATOM 0 HG21 ILE A 46 -3.847 -3.384 6.073 1.00 1.04 H new ATOM 0 HG22 ILE A 46 -4.384 -4.465 7.380 1.00 1.04 H new ATOM 0 HG23 ILE A 46 -5.427 -4.195 5.964 1.00 1.04 H new ATOM 0 HD11 ILE A 46 -6.794 -1.277 4.512 1.00 1.63 H new ATOM 0 HD12 ILE A 46 -5.900 -2.801 4.726 1.00 1.63 H new ATOM 0 HD13 ILE A 46 -7.423 -2.532 5.606 1.00 1.63 H new ATOM 731 N LYS A 47 -6.645 -5.402 8.402 1.00 0.96 N ATOM 732 CA LYS A 47 -6.381 -6.726 9.055 1.00 0.98 C ATOM 733 C LYS A 47 -5.677 -7.670 8.066 1.00 0.82 C ATOM 734 O LYS A 47 -5.782 -7.482 6.865 1.00 0.86 O ATOM 735 CB LYS A 47 -7.708 -7.378 9.520 1.00 1.29 C ATOM 736 CG LYS A 47 -8.953 -6.607 9.025 1.00 2.61 C ATOM 737 CD LYS A 47 -9.183 -6.743 7.500 1.00 4.43 C ATOM 738 CE LYS A 47 -9.463 -8.199 7.099 1.00 5.70 C ATOM 739 NZ LYS A 47 -8.219 -8.888 6.660 1.00 6.46 N ATOM 0 H LYS A 47 -7.135 -5.458 7.509 1.00 0.96 H new ATOM 0 HA LYS A 47 -5.742 -6.557 9.922 1.00 0.98 H new ATOM 0 HB2 LYS A 47 -7.752 -8.404 9.155 1.00 1.29 H new ATOM 0 HB3 LYS A 47 -7.723 -7.426 10.609 1.00 1.29 H new ATOM 0 HG2 LYS A 47 -9.833 -6.972 9.553 1.00 2.61 H new ATOM 0 HG3 LYS A 47 -8.844 -5.552 9.278 1.00 2.61 H new ATOM 0 HD2 LYS A 47 -10.022 -6.115 7.200 1.00 4.43 H new ATOM 0 HD3 LYS A 47 -8.305 -6.380 6.965 1.00 4.43 H new ATOM 0 HE2 LYS A 47 -9.899 -8.734 7.943 1.00 5.70 H new ATOM 0 HE3 LYS A 47 -10.197 -8.222 6.294 1.00 5.70 H new ATOM 0 HZ1 LYS A 47 -8.465 -9.692 6.048 1.00 6.46 H new ATOM 0 HZ2 LYS A 47 -7.621 -8.221 6.132 1.00 6.46 H new ATOM 0 HZ3 LYS A 47 -7.701 -9.233 7.493 1.00 6.46 H new ATOM 753 N PRO A 48 -5.019 -8.694 8.584 1.00 0.82 N ATOM 754 CA PRO A 48 -4.441 -9.774 7.740 1.00 0.80 C ATOM 755 C PRO A 48 -5.548 -10.568 7.038 1.00 0.96 C ATOM 756 O PRO A 48 -6.640 -10.667 7.562 1.00 1.25 O ATOM 757 CB PRO A 48 -3.671 -10.661 8.731 1.00 0.86 C ATOM 758 CG PRO A 48 -3.535 -9.847 10.035 1.00 0.93 C ATOM 759 CD PRO A 48 -4.696 -8.843 10.031 1.00 0.97 C ATOM 0 HA PRO A 48 -3.800 -9.386 6.948 1.00 0.80 H new ATOM 0 HB2 PRO A 48 -4.204 -11.595 8.911 1.00 0.86 H new ATOM 0 HB3 PRO A 48 -2.691 -10.925 8.334 1.00 0.86 H new ATOM 0 HG2 PRO A 48 -3.585 -10.498 10.908 1.00 0.93 H new ATOM 0 HG3 PRO A 48 -2.575 -9.333 10.075 1.00 0.93 H new ATOM 0 HD2 PRO A 48 -5.550 -9.214 10.597 1.00 0.97 H new ATOM 0 HD3 PRO A 48 -4.406 -7.892 10.478 1.00 0.97 H new ATOM 767 N HIS A 49 -5.243 -11.097 5.875 1.00 1.05 N ATOM 768 CA HIS A 49 -6.239 -11.904 5.084 1.00 1.37 C ATOM 769 C HIS A 49 -7.194 -10.944 4.352 1.00 1.23 C ATOM 770 O HIS A 49 -8.362 -10.799 4.713 1.00 1.57 O ATOM 771 CB HIS A 49 -7.014 -12.883 5.998 1.00 1.71 C ATOM 772 CG HIS A 49 -6.111 -13.729 6.914 1.00 1.45 C ATOM 773 ND1 HIS A 49 -4.747 -13.771 7.100 1.00 2.71 N flip ATOM 774 CD2 HIS A 49 -6.615 -14.612 7.735 1.00 1.68 C flip ATOM 775 CE1 HIS A 49 -4.504 -14.660 8.014 1.00 2.74 C flip ATOM 776 NE2 HIS A 49 -5.640 -15.180 8.407 1.00 2.06 N flip ATOM 0 H HIS A 49 -4.330 -11.003 5.430 1.00 1.05 H new ATOM 0 HA HIS A 49 -5.710 -12.510 4.348 1.00 1.37 H new ATOM 0 HB2 HIS A 49 -7.710 -12.315 6.615 1.00 1.71 H new ATOM 0 HB3 HIS A 49 -7.611 -13.550 5.376 1.00 1.71 H new ATOM 0 HD2 HIS A 49 -7.665 -14.838 7.844 1.00 1.68 H new ATOM 0 HE1 HIS A 49 -3.527 -14.927 8.388 1.00 2.74 H new ATOM 0 HE2 HIS A 49 -5.749 -15.905 9.116 1.00 2.06 H new ATOM 784 N SER A 50 -6.621 -10.275 3.368 1.00 1.27 N ATOM 785 CA SER A 50 -7.356 -9.279 2.515 1.00 1.38 C ATOM 786 C SER A 50 -6.338 -8.373 1.804 1.00 1.10 C ATOM 787 O SER A 50 -5.163 -8.435 2.098 1.00 1.88 O ATOM 788 CB SER A 50 -8.259 -8.402 3.387 1.00 1.73 C ATOM 789 OG SER A 50 -7.450 -8.085 4.521 1.00 1.70 O ATOM 0 H SER A 50 -5.639 -10.385 3.116 1.00 1.27 H new ATOM 0 HA SER A 50 -7.962 -9.818 1.787 1.00 1.38 H new ATOM 0 HB2 SER A 50 -8.572 -7.502 2.857 1.00 1.73 H new ATOM 0 HB3 SER A 50 -9.166 -8.931 3.680 1.00 1.73 H new ATOM 0 HG SER A 50 -7.470 -7.118 4.677 1.00 1.70 H new ATOM 795 N THR A 51 -6.800 -7.556 0.897 1.00 0.97 N ATOM 796 CA THR A 51 -5.874 -6.638 0.157 1.00 0.98 C ATOM 797 C THR A 51 -6.310 -5.172 0.281 1.00 0.97 C ATOM 798 O THR A 51 -7.410 -4.874 0.715 1.00 1.15 O ATOM 799 CB THR A 51 -5.918 -6.992 -1.337 1.00 1.53 C ATOM 800 OG1 THR A 51 -7.309 -7.111 -1.624 1.00 1.99 O ATOM 801 CG2 THR A 51 -5.362 -8.375 -1.653 1.00 1.78 C ATOM 0 H THR A 51 -7.782 -7.481 0.632 1.00 0.97 H new ATOM 0 HA THR A 51 -4.878 -6.759 0.583 1.00 0.98 H new ATOM 0 HB THR A 51 -5.347 -6.246 -1.890 1.00 1.53 H new ATOM 0 HG1 THR A 51 -7.609 -8.021 -1.419 1.00 1.99 H new ATOM 0 HG21 THR A 51 -5.425 -8.556 -2.726 1.00 1.78 H new ATOM 0 HG22 THR A 51 -4.320 -8.429 -1.337 1.00 1.78 H new ATOM 0 HG23 THR A 51 -5.942 -9.130 -1.123 1.00 1.78 H new ATOM 809 N VAL A 52 -5.438 -4.305 -0.128 1.00 0.92 N ATOM 810 CA VAL A 52 -5.755 -2.849 -0.124 1.00 0.99 C ATOM 811 C VAL A 52 -5.706 -2.436 -1.593 1.00 0.85 C ATOM 812 O VAL A 52 -4.885 -2.958 -2.327 1.00 0.96 O ATOM 813 CB VAL A 52 -4.698 -2.066 0.683 1.00 1.21 C ATOM 814 CG1 VAL A 52 -5.059 -0.570 0.724 1.00 2.15 C ATOM 815 CG2 VAL A 52 -4.638 -2.611 2.116 1.00 1.41 C ATOM 0 H VAL A 52 -4.506 -4.541 -0.470 1.00 0.92 H new ATOM 0 HA VAL A 52 -6.722 -2.642 0.335 1.00 0.99 H new ATOM 0 HB VAL A 52 -3.728 -2.186 0.201 1.00 1.21 H new ATOM 0 HG11 VAL A 52 -4.305 -0.029 1.296 1.00 2.15 H new ATOM 0 HG12 VAL A 52 -5.095 -0.176 -0.292 1.00 2.15 H new ATOM 0 HG13 VAL A 52 -6.033 -0.444 1.197 1.00 2.15 H new ATOM 0 HG21 VAL A 52 -3.891 -2.057 2.685 1.00 1.41 H new ATOM 0 HG22 VAL A 52 -5.613 -2.497 2.590 1.00 1.41 H new ATOM 0 HG23 VAL A 52 -4.367 -3.667 2.093 1.00 1.41 H new ATOM 825 N ASP A 53 -6.563 -1.548 -1.999 1.00 0.76 N ATOM 826 CA ASP A 53 -6.558 -1.110 -3.425 1.00 0.82 C ATOM 827 C ASP A 53 -6.311 0.392 -3.466 1.00 0.81 C ATOM 828 O ASP A 53 -6.836 1.125 -2.638 1.00 0.84 O ATOM 829 CB ASP A 53 -7.922 -1.390 -4.069 1.00 1.03 C ATOM 830 CG ASP A 53 -8.252 -2.885 -4.094 1.00 1.93 C ATOM 831 OD1 ASP A 53 -8.021 -3.552 -3.098 1.00 3.01 O ATOM 832 OD2 ASP A 53 -8.844 -3.286 -5.074 1.00 2.70 O ATOM 0 H ASP A 53 -7.267 -1.105 -1.409 1.00 0.76 H new ATOM 0 HA ASP A 53 -5.782 -1.652 -3.966 1.00 0.82 H new ATOM 0 HB2 ASP A 53 -8.698 -0.857 -3.519 1.00 1.03 H new ATOM 0 HB3 ASP A 53 -7.928 -1.001 -5.087 1.00 1.03 H new ATOM 837 N PHE A 54 -5.561 0.835 -4.432 1.00 1.04 N ATOM 838 CA PHE A 54 -5.287 2.293 -4.520 1.00 1.20 C ATOM 839 C PHE A 54 -4.779 2.648 -5.911 1.00 1.23 C ATOM 840 O PHE A 54 -4.385 1.778 -6.671 1.00 1.70 O ATOM 841 CB PHE A 54 -4.257 2.695 -3.452 1.00 1.45 C ATOM 842 CG PHE A 54 -2.835 2.222 -3.784 1.00 1.18 C ATOM 843 CD1 PHE A 54 -2.547 0.895 -4.060 1.00 1.87 C ATOM 844 CD2 PHE A 54 -1.797 3.130 -3.721 1.00 1.45 C ATOM 845 CE1 PHE A 54 -1.240 0.491 -4.254 1.00 2.44 C ATOM 846 CE2 PHE A 54 -0.494 2.727 -3.915 1.00 1.91 C ATOM 847 CZ PHE A 54 -0.212 1.407 -4.181 1.00 2.32 C ATOM 0 H PHE A 54 -5.131 0.260 -5.156 1.00 1.04 H new ATOM 0 HA PHE A 54 -6.211 2.842 -4.340 1.00 1.20 H new ATOM 0 HB2 PHE A 54 -4.258 3.780 -3.344 1.00 1.45 H new ATOM 0 HB3 PHE A 54 -4.557 2.279 -2.490 1.00 1.45 H new ATOM 0 HD1 PHE A 54 -3.348 0.173 -4.124 1.00 1.87 H new ATOM 0 HD2 PHE A 54 -2.009 4.169 -3.517 1.00 1.45 H new ATOM 0 HE1 PHE A 54 -1.023 -0.546 -4.464 1.00 2.44 H new ATOM 0 HE2 PHE A 54 0.308 3.449 -3.858 1.00 1.91 H new ATOM 0 HZ PHE A 54 0.809 1.090 -4.332 1.00 2.32 H new ATOM 857 N ARG A 55 -4.784 3.916 -6.211 1.00 1.38 N ATOM 858 CA ARG A 55 -4.306 4.348 -7.548 1.00 1.65 C ATOM 859 C ARG A 55 -2.893 4.880 -7.394 1.00 1.56 C ATOM 860 O ARG A 55 -2.243 4.644 -6.393 1.00 2.07 O ATOM 861 CB ARG A 55 -5.212 5.461 -8.090 1.00 2.23 C ATOM 862 CG ARG A 55 -6.659 4.963 -8.160 1.00 3.16 C ATOM 863 CD ARG A 55 -7.612 6.158 -8.114 1.00 3.76 C ATOM 864 NE ARG A 55 -7.399 6.855 -6.807 1.00 4.09 N ATOM 865 CZ ARG A 55 -8.351 6.909 -5.932 1.00 5.34 C ATOM 866 NH1 ARG A 55 -9.520 7.352 -6.295 1.00 6.46 N ATOM 867 NH2 ARG A 55 -8.077 6.519 -4.730 1.00 5.98 N ATOM 0 H ARG A 55 -5.096 4.665 -5.593 1.00 1.38 H new ATOM 0 HA ARG A 55 -4.326 3.508 -8.242 1.00 1.65 H new ATOM 0 HB2 ARG A 55 -5.150 6.339 -7.446 1.00 2.23 H new ATOM 0 HB3 ARG A 55 -4.875 5.767 -9.080 1.00 2.23 H new ATOM 0 HG2 ARG A 55 -6.815 4.395 -9.077 1.00 3.16 H new ATOM 0 HG3 ARG A 55 -6.864 4.289 -7.328 1.00 3.16 H new ATOM 0 HD2 ARG A 55 -7.418 6.835 -8.946 1.00 3.76 H new ATOM 0 HD3 ARG A 55 -8.646 5.827 -8.208 1.00 3.76 H new ATOM 0 HE ARG A 55 -6.499 7.290 -6.605 1.00 4.09 H new ATOM 0 HH11 ARG A 55 -9.676 7.651 -7.258 1.00 6.46 H new ATOM 0 HH12 ARG A 55 -10.280 7.400 -5.617 1.00 6.46 H new ATOM 0 HH21 ARG A 55 -7.140 6.186 -4.503 1.00 5.98 H new ATOM 0 HH22 ARG A 55 -8.798 6.545 -4.009 1.00 5.98 H new ATOM 881 N VAL A 56 -2.453 5.557 -8.396 1.00 1.72 N ATOM 882 CA VAL A 56 -1.110 6.128 -8.385 1.00 2.19 C ATOM 883 C VAL A 56 -1.165 7.633 -8.657 1.00 1.81 C ATOM 884 O VAL A 56 -0.831 8.049 -9.753 1.00 2.45 O ATOM 885 CB VAL A 56 -0.328 5.404 -9.476 1.00 3.23 C ATOM 886 CG1 VAL A 56 -0.015 3.975 -9.015 1.00 4.41 C ATOM 887 CG2 VAL A 56 -1.169 5.345 -10.760 1.00 3.87 C ATOM 0 H VAL A 56 -2.988 5.741 -9.245 1.00 1.72 H new ATOM 0 HA VAL A 56 -0.632 6.001 -7.414 1.00 2.19 H new ATOM 0 HB VAL A 56 0.600 5.941 -9.671 1.00 3.23 H new ATOM 0 HG11 VAL A 56 0.544 3.456 -9.793 1.00 4.41 H new ATOM 0 HG12 VAL A 56 0.580 4.009 -8.102 1.00 4.41 H new ATOM 0 HG13 VAL A 56 -0.946 3.443 -8.821 1.00 4.41 H new ATOM 0 HG21 VAL A 56 -0.609 4.827 -11.539 1.00 3.87 H new ATOM 0 HG22 VAL A 56 -2.097 4.808 -10.563 1.00 3.87 H new ATOM 0 HG23 VAL A 56 -1.399 6.358 -11.091 1.00 3.87 H new ATOM 897 N LYS A 57 -1.643 8.387 -7.674 1.00 2.01 N ATOM 898 CA LYS A 57 -1.736 9.898 -7.785 1.00 2.42 C ATOM 899 C LYS A 57 -1.026 10.432 -9.033 1.00 2.51 C ATOM 900 O LYS A 57 -1.651 11.086 -9.840 1.00 3.69 O ATOM 901 CB LYS A 57 -1.098 10.566 -6.548 1.00 2.81 C ATOM 902 CG LYS A 57 -2.004 10.467 -5.310 1.00 3.74 C ATOM 903 CD LYS A 57 -3.339 11.226 -5.494 1.00 3.91 C ATOM 904 CE LYS A 57 -3.107 12.722 -5.745 1.00 4.21 C ATOM 905 NZ LYS A 57 -2.800 12.994 -7.178 1.00 4.50 N ATOM 0 H LYS A 57 -1.978 8.013 -6.786 1.00 2.01 H new ATOM 0 HA LYS A 57 -2.797 10.140 -7.853 1.00 2.42 H new ATOM 0 HB2 LYS A 57 -0.139 10.093 -6.335 1.00 2.81 H new ATOM 0 HB3 LYS A 57 -0.895 11.614 -6.766 1.00 2.81 H new ATOM 0 HG2 LYS A 57 -2.212 9.418 -5.098 1.00 3.74 H new ATOM 0 HG3 LYS A 57 -1.477 10.869 -4.444 1.00 3.74 H new ATOM 0 HD2 LYS A 57 -3.890 10.797 -6.331 1.00 3.91 H new ATOM 0 HD3 LYS A 57 -3.957 11.097 -4.606 1.00 3.91 H new ATOM 0 HE2 LYS A 57 -3.993 13.283 -5.449 1.00 4.21 H new ATOM 0 HE3 LYS A 57 -2.284 13.073 -5.122 1.00 4.21 H new ATOM 0 HZ1 LYS A 57 -3.309 13.847 -7.486 1.00 4.50 H new ATOM 0 HZ2 LYS A 57 -1.777 13.141 -7.292 1.00 4.50 H new ATOM 0 HZ3 LYS A 57 -3.100 12.184 -7.757 1.00 4.50 H new ATOM 919 N ALA A 58 0.260 10.130 -9.100 1.00 2.28 N ATOM 920 CA ALA A 58 1.180 10.504 -10.238 1.00 2.31 C ATOM 921 C ALA A 58 2.405 11.250 -9.706 1.00 2.32 C ATOM 922 O ALA A 58 3.523 10.804 -9.889 1.00 2.38 O ATOM 923 CB ALA A 58 0.489 11.376 -11.297 1.00 2.82 C ATOM 0 H ALA A 58 0.734 9.607 -8.364 1.00 2.28 H new ATOM 0 HA ALA A 58 1.479 9.570 -10.714 1.00 2.31 H new ATOM 0 HB1 ALA A 58 1.197 11.614 -12.091 1.00 2.82 H new ATOM 0 HB2 ALA A 58 -0.359 10.835 -11.717 1.00 2.82 H new ATOM 0 HB3 ALA A 58 0.137 12.299 -10.835 1.00 2.82 H new ATOM 929 N GLU A 59 2.136 12.368 -9.083 1.00 2.83 N ATOM 930 CA GLU A 59 3.196 13.239 -8.479 1.00 3.08 C ATOM 931 C GLU A 59 4.496 12.469 -8.184 1.00 2.47 C ATOM 932 O GLU A 59 5.516 12.721 -8.798 1.00 2.83 O ATOM 933 CB GLU A 59 2.652 13.855 -7.172 1.00 3.63 C ATOM 934 CG GLU A 59 1.460 14.800 -7.450 1.00 4.04 C ATOM 935 CD GLU A 59 0.117 14.072 -7.275 1.00 4.50 C ATOM 936 OE1 GLU A 59 -0.239 13.318 -8.161 1.00 4.42 O ATOM 937 OE2 GLU A 59 -0.516 14.308 -6.263 1.00 5.54 O ATOM 0 H GLU A 59 1.189 12.728 -8.963 1.00 2.83 H new ATOM 0 HA GLU A 59 3.441 14.016 -9.203 1.00 3.08 H new ATOM 0 HB2 GLU A 59 2.338 13.060 -6.496 1.00 3.63 H new ATOM 0 HB3 GLU A 59 3.446 14.406 -6.669 1.00 3.63 H new ATOM 0 HG2 GLU A 59 1.504 15.653 -6.773 1.00 4.04 H new ATOM 0 HG3 GLU A 59 1.534 15.193 -8.464 1.00 4.04 H new ATOM 944 N ASP A 60 4.426 11.553 -7.253 1.00 2.26 N ATOM 945 CA ASP A 60 5.620 10.738 -6.877 1.00 2.16 C ATOM 946 C ASP A 60 5.179 9.282 -6.787 1.00 1.99 C ATOM 947 O ASP A 60 5.031 8.728 -5.717 1.00 2.58 O ATOM 948 CB ASP A 60 6.197 11.207 -5.523 1.00 3.18 C ATOM 949 CG ASP A 60 7.375 10.304 -5.100 1.00 4.74 C ATOM 950 OD1 ASP A 60 8.077 9.854 -6.001 1.00 5.56 O ATOM 951 OD2 ASP A 60 7.525 10.121 -3.892 1.00 5.81 O ATOM 0 H ASP A 60 3.579 11.332 -6.729 1.00 2.26 H new ATOM 0 HA ASP A 60 6.403 10.854 -7.626 1.00 2.16 H new ATOM 0 HB2 ASP A 60 6.533 12.241 -5.602 1.00 3.18 H new ATOM 0 HB3 ASP A 60 5.419 11.182 -4.760 1.00 3.18 H new ATOM 956 N ILE A 61 4.889 8.722 -7.918 1.00 1.53 N ATOM 957 CA ILE A 61 4.454 7.294 -7.946 1.00 1.53 C ATOM 958 C ILE A 61 5.637 6.346 -8.054 1.00 1.18 C ATOM 959 O ILE A 61 5.595 5.274 -7.491 1.00 1.53 O ATOM 960 CB ILE A 61 3.492 7.110 -9.126 1.00 1.94 C ATOM 961 CG1 ILE A 61 2.223 7.933 -8.850 1.00 2.73 C ATOM 962 CG2 ILE A 61 3.140 5.628 -9.320 1.00 2.15 C ATOM 963 CD1 ILE A 61 1.615 7.582 -7.483 1.00 4.60 C ATOM 0 H ILE A 61 4.932 9.183 -8.827 1.00 1.53 H new ATOM 0 HA ILE A 61 3.950 7.052 -7.010 1.00 1.53 H new ATOM 0 HB ILE A 61 3.969 7.456 -10.043 1.00 1.94 H new ATOM 0 HG12 ILE A 61 2.463 8.996 -8.882 1.00 2.73 H new ATOM 0 HG13 ILE A 61 1.489 7.748 -9.635 1.00 2.73 H new ATOM 0 HG21 ILE A 61 2.457 5.524 -10.163 1.00 2.15 H new ATOM 0 HG22 ILE A 61 4.050 5.061 -9.518 1.00 2.15 H new ATOM 0 HG23 ILE A 61 2.664 5.246 -8.417 1.00 2.15 H new ATOM 0 HD11 ILE A 61 0.719 8.181 -7.318 1.00 4.60 H new ATOM 0 HD12 ILE A 61 1.353 6.524 -7.462 1.00 4.60 H new ATOM 0 HD13 ILE A 61 2.341 7.791 -6.697 1.00 4.60 H new ATOM 975 N LEU A 62 6.643 6.716 -8.792 1.00 1.23 N ATOM 976 CA LEU A 62 7.834 5.817 -8.902 1.00 1.11 C ATOM 977 C LEU A 62 8.195 5.317 -7.500 1.00 0.98 C ATOM 978 O LEU A 62 8.276 4.132 -7.266 1.00 1.31 O ATOM 979 CB LEU A 62 9.007 6.607 -9.488 1.00 1.24 C ATOM 980 CG LEU A 62 10.255 5.719 -9.633 1.00 2.07 C ATOM 981 CD1 LEU A 62 10.121 4.811 -10.865 1.00 2.78 C ATOM 982 CD2 LEU A 62 11.482 6.624 -9.787 1.00 2.97 C ATOM 0 H LEU A 62 6.698 7.588 -9.319 1.00 1.23 H new ATOM 0 HA LEU A 62 7.613 4.970 -9.551 1.00 1.11 H new ATOM 0 HB2 LEU A 62 8.728 7.010 -10.462 1.00 1.24 H new ATOM 0 HB3 LEU A 62 9.234 7.457 -8.845 1.00 1.24 H new ATOM 0 HG LEU A 62 10.362 5.089 -8.750 1.00 2.07 H new ATOM 0 HD11 LEU A 62 11.011 4.188 -10.956 1.00 2.78 H new ATOM 0 HD12 LEU A 62 9.242 4.175 -10.755 1.00 2.78 H new ATOM 0 HD13 LEU A 62 10.015 5.425 -11.759 1.00 2.78 H new ATOM 0 HD21 LEU A 62 12.376 6.010 -9.891 1.00 2.97 H new ATOM 0 HD22 LEU A 62 11.365 7.248 -10.673 1.00 2.97 H new ATOM 0 HD23 LEU A 62 11.578 7.259 -8.906 1.00 2.97 H new ATOM 994 N ALA A 63 8.322 6.263 -6.596 1.00 0.93 N ATOM 995 CA ALA A 63 8.687 5.944 -5.180 1.00 0.96 C ATOM 996 C ALA A 63 7.651 5.032 -4.516 1.00 0.84 C ATOM 997 O ALA A 63 7.916 4.450 -3.481 1.00 1.06 O ATOM 998 CB ALA A 63 8.775 7.245 -4.387 1.00 1.25 C ATOM 0 H ALA A 63 8.186 7.256 -6.785 1.00 0.93 H new ATOM 0 HA ALA A 63 9.644 5.422 -5.188 1.00 0.96 H new ATOM 0 HB1 ALA A 63 9.041 7.024 -3.353 1.00 1.25 H new ATOM 0 HB2 ALA A 63 9.536 7.889 -4.827 1.00 1.25 H new ATOM 0 HB3 ALA A 63 7.811 7.753 -4.413 1.00 1.25 H new ATOM 1004 N VAL A 64 6.496 4.970 -5.101 1.00 0.81 N ATOM 1005 CA VAL A 64 5.398 4.113 -4.561 1.00 0.80 C ATOM 1006 C VAL A 64 5.534 2.721 -5.167 1.00 0.81 C ATOM 1007 O VAL A 64 5.414 1.723 -4.467 1.00 0.95 O ATOM 1008 CB VAL A 64 4.051 4.722 -4.956 1.00 0.95 C ATOM 1009 CG1 VAL A 64 2.909 3.866 -4.400 1.00 1.14 C ATOM 1010 CG2 VAL A 64 3.964 6.129 -4.372 1.00 1.16 C ATOM 0 H VAL A 64 6.255 5.485 -5.948 1.00 0.81 H new ATOM 0 HA VAL A 64 5.458 4.051 -3.474 1.00 0.80 H new ATOM 0 HB VAL A 64 3.967 4.760 -6.042 1.00 0.95 H new ATOM 0 HG11 VAL A 64 1.953 4.305 -4.685 1.00 1.14 H new ATOM 0 HG12 VAL A 64 2.980 2.857 -4.806 1.00 1.14 H new ATOM 0 HG13 VAL A 64 2.980 3.826 -3.313 1.00 1.14 H new ATOM 0 HG21 VAL A 64 3.009 6.578 -4.645 1.00 1.16 H new ATOM 0 HG22 VAL A 64 4.044 6.078 -3.286 1.00 1.16 H new ATOM 0 HG23 VAL A 64 4.777 6.738 -4.767 1.00 1.16 H new ATOM 1020 N GLU A 65 5.756 2.673 -6.455 1.00 0.83 N ATOM 1021 CA GLU A 65 5.932 1.339 -7.087 1.00 1.00 C ATOM 1022 C GLU A 65 7.232 0.774 -6.506 1.00 1.02 C ATOM 1023 O GLU A 65 7.392 -0.413 -6.313 1.00 1.21 O ATOM 1024 CB GLU A 65 6.047 1.496 -8.607 1.00 1.19 C ATOM 1025 CG GLU A 65 4.982 2.482 -9.110 1.00 1.56 C ATOM 1026 CD GLU A 65 4.567 2.107 -10.531 1.00 1.81 C ATOM 1027 OE1 GLU A 65 5.280 2.480 -11.453 1.00 2.49 O ATOM 1028 OE2 GLU A 65 3.554 1.442 -10.633 1.00 2.81 O ATOM 0 H GLU A 65 5.821 3.477 -7.079 1.00 0.83 H new ATOM 0 HA GLU A 65 5.088 0.678 -6.890 1.00 1.00 H new ATOM 0 HB2 GLU A 65 7.042 1.855 -8.871 1.00 1.19 H new ATOM 0 HB3 GLU A 65 5.918 0.529 -9.093 1.00 1.19 H new ATOM 0 HG2 GLU A 65 4.115 2.464 -8.450 1.00 1.56 H new ATOM 0 HG3 GLU A 65 5.375 3.498 -9.091 1.00 1.56 H new ATOM 1035 N ASP A 66 8.102 1.700 -6.217 1.00 0.97 N ATOM 1036 CA ASP A 66 9.439 1.408 -5.624 1.00 1.02 C ATOM 1037 C ASP A 66 9.251 0.894 -4.191 1.00 0.90 C ATOM 1038 O ASP A 66 9.620 -0.227 -3.886 1.00 0.96 O ATOM 1039 CB ASP A 66 10.188 2.746 -5.669 1.00 1.16 C ATOM 1040 CG ASP A 66 11.561 2.661 -5.033 1.00 1.43 C ATOM 1041 OD1 ASP A 66 11.564 2.595 -3.822 1.00 2.14 O ATOM 1042 OD2 ASP A 66 12.519 2.707 -5.782 1.00 2.70 O ATOM 0 H ASP A 66 7.932 2.693 -6.375 1.00 0.97 H new ATOM 0 HA ASP A 66 9.997 0.638 -6.157 1.00 1.02 H new ATOM 0 HB2 ASP A 66 10.290 3.068 -6.705 1.00 1.16 H new ATOM 0 HB3 ASP A 66 9.599 3.506 -5.156 1.00 1.16 H new ATOM 1047 N PHE A 67 8.693 1.739 -3.348 1.00 0.77 N ATOM 1048 CA PHE A 67 8.417 1.356 -1.917 1.00 0.72 C ATOM 1049 C PHE A 67 8.109 -0.139 -1.799 1.00 0.63 C ATOM 1050 O PHE A 67 8.725 -0.847 -1.026 1.00 0.84 O ATOM 1051 CB PHE A 67 7.223 2.188 -1.414 1.00 0.74 C ATOM 1052 CG PHE A 67 6.839 1.772 0.014 1.00 0.81 C ATOM 1053 CD1 PHE A 67 5.931 0.747 0.216 1.00 0.86 C ATOM 1054 CD2 PHE A 67 7.423 2.381 1.116 1.00 1.02 C ATOM 1055 CE1 PHE A 67 5.616 0.333 1.493 1.00 0.97 C ATOM 1056 CE2 PHE A 67 7.108 1.960 2.393 1.00 1.08 C ATOM 1057 CZ PHE A 67 6.207 0.936 2.581 1.00 0.99 C ATOM 0 H PHE A 67 8.414 2.689 -3.593 1.00 0.77 H new ATOM 0 HA PHE A 67 9.299 1.558 -1.310 1.00 0.72 H new ATOM 0 HB2 PHE A 67 7.477 3.248 -1.434 1.00 0.74 H new ATOM 0 HB3 PHE A 67 6.371 2.052 -2.080 1.00 0.74 H new ATOM 0 HD1 PHE A 67 5.466 0.268 -0.633 1.00 0.86 H new ATOM 0 HD2 PHE A 67 8.127 3.188 0.974 1.00 1.02 H new ATOM 0 HE1 PHE A 67 4.904 -0.466 1.640 1.00 0.97 H new ATOM 0 HE2 PHE A 67 7.569 2.435 3.246 1.00 1.08 H new ATOM 0 HZ PHE A 67 5.964 0.606 3.580 1.00 0.99 H new ATOM 1067 N LEU A 68 7.151 -0.580 -2.571 1.00 0.56 N ATOM 1068 CA LEU A 68 6.757 -2.027 -2.554 1.00 0.65 C ATOM 1069 C LEU A 68 7.973 -2.962 -2.569 1.00 0.86 C ATOM 1070 O LEU A 68 8.057 -3.888 -1.780 1.00 1.25 O ATOM 1071 CB LEU A 68 5.907 -2.321 -3.794 1.00 0.99 C ATOM 1072 CG LEU A 68 4.606 -1.507 -3.753 1.00 1.21 C ATOM 1073 CD1 LEU A 68 3.885 -1.672 -5.094 1.00 1.68 C ATOM 1074 CD2 LEU A 68 3.711 -2.022 -2.614 1.00 1.32 C ATOM 0 H LEU A 68 6.619 0.001 -3.218 1.00 0.56 H new ATOM 0 HA LEU A 68 6.202 -2.208 -1.633 1.00 0.65 H new ATOM 0 HB2 LEU A 68 6.469 -2.076 -4.695 1.00 0.99 H new ATOM 0 HB3 LEU A 68 5.677 -3.385 -3.842 1.00 0.99 H new ATOM 0 HG LEU A 68 4.828 -0.454 -3.578 1.00 1.21 H new ATOM 0 HD11 LEU A 68 2.958 -1.099 -5.081 1.00 1.68 H new ATOM 0 HD12 LEU A 68 4.525 -1.309 -5.898 1.00 1.68 H new ATOM 0 HD13 LEU A 68 3.659 -2.726 -5.258 1.00 1.68 H new ATOM 0 HD21 LEU A 68 2.788 -1.443 -2.586 1.00 1.32 H new ATOM 0 HD22 LEU A 68 3.475 -3.073 -2.783 1.00 1.32 H new ATOM 0 HD23 LEU A 68 4.234 -1.916 -1.664 1.00 1.32 H new ATOM 1086 N GLU A 69 8.872 -2.677 -3.468 1.00 0.89 N ATOM 1087 CA GLU A 69 10.097 -3.508 -3.622 1.00 1.24 C ATOM 1088 C GLU A 69 11.056 -3.273 -2.458 1.00 1.38 C ATOM 1089 O GLU A 69 11.543 -4.223 -1.862 1.00 1.68 O ATOM 1090 CB GLU A 69 10.769 -3.126 -4.954 1.00 1.36 C ATOM 1091 CG GLU A 69 11.157 -4.396 -5.734 1.00 1.77 C ATOM 1092 CD GLU A 69 9.906 -4.994 -6.387 1.00 2.47 C ATOM 1093 OE1 GLU A 69 9.090 -5.491 -5.638 1.00 3.75 O ATOM 1094 OE2 GLU A 69 9.821 -4.910 -7.596 1.00 2.93 O ATOM 0 H GLU A 69 8.808 -1.890 -4.113 1.00 0.89 H new ATOM 0 HA GLU A 69 9.831 -4.565 -3.623 1.00 1.24 H new ATOM 0 HB2 GLU A 69 10.091 -2.516 -5.551 1.00 1.36 H new ATOM 0 HB3 GLU A 69 11.656 -2.522 -4.763 1.00 1.36 H new ATOM 0 HG2 GLU A 69 11.899 -4.156 -6.496 1.00 1.77 H new ATOM 0 HG3 GLU A 69 11.613 -5.123 -5.063 1.00 1.77 H new ATOM 1101 N GLN A 70 11.324 -2.024 -2.154 1.00 1.36 N ATOM 1102 CA GLN A 70 12.259 -1.735 -1.013 1.00 1.72 C ATOM 1103 C GLN A 70 11.880 -2.554 0.222 1.00 1.87 C ATOM 1104 O GLN A 70 12.739 -2.910 1.009 1.00 2.36 O ATOM 1105 CB GLN A 70 12.240 -0.244 -0.647 1.00 1.80 C ATOM 1106 CG GLN A 70 13.035 0.549 -1.691 1.00 1.89 C ATOM 1107 CD GLN A 70 13.485 1.879 -1.084 1.00 2.70 C ATOM 1108 OE1 GLN A 70 14.362 1.927 -0.248 1.00 3.15 O ATOM 1109 NE2 GLN A 70 12.915 2.977 -1.460 1.00 3.22 N ATOM 0 H GLN A 70 10.946 -1.207 -2.633 1.00 1.36 H new ATOM 0 HA GLN A 70 13.262 -2.012 -1.339 1.00 1.72 H new ATOM 0 HB2 GLN A 70 11.213 0.118 -0.605 1.00 1.80 H new ATOM 0 HB3 GLN A 70 12.671 -0.096 0.343 1.00 1.80 H new ATOM 0 HG2 GLN A 70 13.901 -0.026 -2.018 1.00 1.89 H new ATOM 0 HG3 GLN A 70 12.420 0.729 -2.573 1.00 1.89 H new ATOM 0 HE21 GLN A 70 12.176 2.953 -2.162 1.00 3.22 H new ATOM 0 HE22 GLN A 70 13.205 3.867 -1.054 1.00 3.22 H new ATOM 1118 N ASN A 71 10.603 -2.759 0.405 1.00 1.54 N ATOM 1119 CA ASN A 71 10.150 -3.565 1.569 1.00 1.68 C ATOM 1120 C ASN A 71 9.406 -4.805 1.069 1.00 1.50 C ATOM 1121 O ASN A 71 8.424 -5.197 1.666 1.00 1.66 O ATOM 1122 CB ASN A 71 9.214 -2.721 2.447 1.00 1.71 C ATOM 1123 CG ASN A 71 9.234 -1.259 2.019 1.00 1.97 C ATOM 1124 OD1 ASN A 71 8.167 -0.736 1.512 1.00 3.08 O flip ATOM 1125 ND2 ASN A 71 10.227 -0.575 2.121 1.00 1.85 N flip ATOM 0 H ASN A 71 9.861 -2.405 -0.198 1.00 1.54 H new ATOM 0 HA ASN A 71 11.015 -3.872 2.157 1.00 1.68 H new ATOM 0 HB2 ASN A 71 8.198 -3.109 2.379 1.00 1.71 H new ATOM 0 HB3 ASN A 71 9.517 -2.802 3.491 1.00 1.71 H new ATOM 0 HD21 ASN A 71 11.079 -0.970 2.519 1.00 1.85 H new ATOM 0 HD22 ASN A 71 10.212 0.396 1.809 1.00 1.85 H new ATOM 1132 N GLU A 72 9.918 -5.389 0.013 1.00 1.53 N ATOM 1133 CA GLU A 72 9.314 -6.611 -0.610 1.00 1.58 C ATOM 1134 C GLU A 72 7.925 -6.974 -0.058 1.00 1.35 C ATOM 1135 O GLU A 72 7.751 -7.928 0.690 1.00 1.78 O ATOM 1136 CB GLU A 72 10.270 -7.793 -0.420 1.00 2.00 C ATOM 1137 CG GLU A 72 11.574 -7.531 -1.190 1.00 3.35 C ATOM 1138 CD GLU A 72 12.482 -8.765 -1.104 1.00 4.23 C ATOM 1139 OE1 GLU A 72 12.866 -9.071 0.012 1.00 5.13 O ATOM 1140 OE2 GLU A 72 12.747 -9.332 -2.157 1.00 4.66 O ATOM 0 H GLU A 72 10.759 -5.057 -0.459 1.00 1.53 H new ATOM 0 HA GLU A 72 9.168 -6.385 -1.666 1.00 1.58 H new ATOM 0 HB2 GLU A 72 10.484 -7.934 0.639 1.00 2.00 H new ATOM 0 HB3 GLU A 72 9.804 -8.712 -0.776 1.00 2.00 H new ATOM 0 HG2 GLU A 72 11.352 -7.302 -2.232 1.00 3.35 H new ATOM 0 HG3 GLU A 72 12.085 -6.662 -0.775 1.00 3.35 H new ATOM 1147 N LEU A 73 6.974 -6.172 -0.429 1.00 0.92 N ATOM 1148 CA LEU A 73 5.574 -6.438 0.001 1.00 0.87 C ATOM 1149 C LEU A 73 4.935 -7.246 -1.122 1.00 1.20 C ATOM 1150 O LEU A 73 5.543 -7.414 -2.166 1.00 2.54 O ATOM 1151 CB LEU A 73 4.801 -5.119 0.195 1.00 0.90 C ATOM 1152 CG LEU A 73 4.451 -4.937 1.681 1.00 1.33 C ATOM 1153 CD1 LEU A 73 5.718 -4.707 2.508 1.00 1.73 C ATOM 1154 CD2 LEU A 73 3.521 -3.734 1.864 1.00 1.91 C ATOM 0 H LEU A 73 7.102 -5.344 -1.011 1.00 0.92 H new ATOM 0 HA LEU A 73 5.553 -6.971 0.952 1.00 0.87 H new ATOM 0 HB2 LEU A 73 5.403 -4.279 -0.152 1.00 0.90 H new ATOM 0 HB3 LEU A 73 3.891 -5.128 -0.404 1.00 0.90 H new ATOM 0 HG LEU A 73 3.953 -5.845 2.022 1.00 1.33 H new ATOM 0 HD11 LEU A 73 5.450 -4.580 3.557 1.00 1.73 H new ATOM 0 HD12 LEU A 73 6.381 -5.566 2.404 1.00 1.73 H new ATOM 0 HD13 LEU A 73 6.227 -3.811 2.153 1.00 1.73 H new ATOM 0 HD21 LEU A 73 3.281 -3.617 2.921 1.00 1.91 H new ATOM 0 HD22 LEU A 73 4.016 -2.833 1.502 1.00 1.91 H new ATOM 0 HD23 LEU A 73 2.603 -3.895 1.299 1.00 1.91 H new ATOM 1166 N GLN A 74 3.730 -7.707 -0.918 1.00 0.72 N ATOM 1167 CA GLN A 74 3.072 -8.504 -1.997 1.00 0.80 C ATOM 1168 C GLN A 74 2.050 -7.621 -2.709 1.00 0.79 C ATOM 1169 O GLN A 74 0.977 -7.369 -2.190 1.00 1.02 O ATOM 1170 CB GLN A 74 2.347 -9.722 -1.406 1.00 1.10 C ATOM 1171 CG GLN A 74 3.328 -10.653 -0.683 1.00 1.53 C ATOM 1172 CD GLN A 74 2.600 -11.959 -0.342 1.00 2.69 C ATOM 1173 OE1 GLN A 74 2.475 -12.838 -1.164 1.00 3.62 O ATOM 1174 NE2 GLN A 74 2.079 -12.111 0.841 1.00 3.79 N ATOM 0 H GLN A 74 3.181 -7.571 -0.069 1.00 0.72 H new ATOM 0 HA GLN A 74 3.835 -8.851 -2.694 1.00 0.80 H new ATOM 0 HB2 GLN A 74 1.578 -9.388 -0.710 1.00 1.10 H new ATOM 0 HB3 GLN A 74 1.841 -10.269 -2.202 1.00 1.10 H new ATOM 0 HG2 GLN A 74 4.193 -10.856 -1.315 1.00 1.53 H new ATOM 0 HG3 GLN A 74 3.700 -10.179 0.225 1.00 1.53 H new ATOM 0 HE21 GLN A 74 2.179 -11.376 1.541 1.00 3.79 H new ATOM 0 HE22 GLN A 74 1.571 -12.966 1.068 1.00 3.79 H new ATOM 1183 N TYR A 75 2.404 -7.170 -3.876 1.00 0.90 N ATOM 1184 CA TYR A 75 1.484 -6.298 -4.663 1.00 0.93 C ATOM 1185 C TYR A 75 0.987 -7.047 -5.903 1.00 1.04 C ATOM 1186 O TYR A 75 1.719 -7.821 -6.492 1.00 1.08 O ATOM 1187 CB TYR A 75 2.250 -5.034 -5.085 1.00 1.12 C ATOM 1188 CG TYR A 75 3.605 -5.426 -5.705 1.00 1.21 C ATOM 1189 CD1 TYR A 75 4.721 -5.580 -4.905 1.00 1.06 C ATOM 1190 CD2 TYR A 75 3.725 -5.670 -7.059 1.00 1.71 C ATOM 1191 CE1 TYR A 75 5.928 -5.976 -5.446 1.00 1.34 C ATOM 1192 CE2 TYR A 75 4.935 -6.066 -7.598 1.00 1.98 C ATOM 1193 CZ TYR A 75 6.044 -6.225 -6.795 1.00 1.77 C ATOM 1194 OH TYR A 75 7.237 -6.660 -7.333 1.00 2.18 O ATOM 0 H TYR A 75 3.298 -7.368 -4.325 1.00 0.90 H new ATOM 0 HA TYR A 75 0.621 -6.024 -4.056 1.00 0.93 H new ATOM 0 HB2 TYR A 75 1.662 -4.465 -5.805 1.00 1.12 H new ATOM 0 HB3 TYR A 75 2.408 -4.388 -4.221 1.00 1.12 H new ATOM 0 HD1 TYR A 75 4.648 -5.388 -3.845 1.00 1.06 H new ATOM 0 HD2 TYR A 75 2.866 -5.550 -7.703 1.00 1.71 H new ATOM 0 HE1 TYR A 75 6.789 -6.092 -4.805 1.00 1.34 H new ATOM 0 HE2 TYR A 75 5.012 -6.253 -8.659 1.00 1.98 H new ATOM 0 HH TYR A 75 7.966 -6.472 -6.706 1.00 2.18 H new ATOM 1204 N GLU A 76 -0.236 -6.756 -6.279 1.00 1.22 N ATOM 1205 CA GLU A 76 -0.868 -7.407 -7.468 1.00 1.53 C ATOM 1206 C GLU A 76 -1.266 -6.303 -8.442 1.00 1.51 C ATOM 1207 O GLU A 76 -1.575 -5.198 -8.029 1.00 1.50 O ATOM 1208 CB GLU A 76 -2.140 -8.168 -7.028 1.00 1.71 C ATOM 1209 CG GLU A 76 -2.907 -8.737 -8.250 1.00 2.18 C ATOM 1210 CD GLU A 76 -4.325 -9.134 -7.835 1.00 2.78 C ATOM 1211 OE1 GLU A 76 -5.119 -8.215 -7.706 1.00 3.57 O ATOM 1212 OE2 GLU A 76 -4.527 -10.306 -7.610 1.00 3.34 O ATOM 0 H GLU A 76 -0.833 -6.081 -5.801 1.00 1.22 H new ATOM 0 HA GLU A 76 -0.173 -8.108 -7.931 1.00 1.53 H new ATOM 0 HB2 GLU A 76 -1.866 -8.982 -6.357 1.00 1.71 H new ATOM 0 HB3 GLU A 76 -2.791 -7.498 -6.467 1.00 1.71 H new ATOM 0 HG2 GLU A 76 -2.946 -7.992 -9.045 1.00 2.18 H new ATOM 0 HG3 GLU A 76 -2.380 -9.603 -8.650 1.00 2.18 H new ATOM 1219 N VAL A 77 -1.285 -6.618 -9.696 1.00 1.67 N ATOM 1220 CA VAL A 77 -1.675 -5.598 -10.694 1.00 1.77 C ATOM 1221 C VAL A 77 -2.794 -6.193 -11.540 1.00 2.00 C ATOM 1222 O VAL A 77 -2.669 -7.296 -12.031 1.00 2.66 O ATOM 1223 CB VAL A 77 -0.455 -5.237 -11.561 1.00 1.88 C ATOM 1224 CG1 VAL A 77 -0.806 -4.048 -12.471 1.00 2.06 C ATOM 1225 CG2 VAL A 77 0.719 -4.844 -10.646 1.00 2.08 C ATOM 0 H VAL A 77 -1.048 -7.535 -10.075 1.00 1.67 H new ATOM 0 HA VAL A 77 -2.023 -4.683 -10.214 1.00 1.77 H new ATOM 0 HB VAL A 77 -0.176 -6.095 -12.172 1.00 1.88 H new ATOM 0 HG11 VAL A 77 0.058 -3.792 -13.085 1.00 2.06 H new ATOM 0 HG12 VAL A 77 -1.642 -4.318 -13.116 1.00 2.06 H new ATOM 0 HG13 VAL A 77 -1.082 -3.190 -11.858 1.00 2.06 H new ATOM 0 HG21 VAL A 77 1.585 -4.588 -11.256 1.00 2.08 H new ATOM 0 HG22 VAL A 77 0.435 -3.984 -10.039 1.00 2.08 H new ATOM 0 HG23 VAL A 77 0.969 -5.682 -9.995 1.00 2.08 H new ATOM 1235 N LEU A 78 -3.847 -5.444 -11.688 1.00 2.07 N ATOM 1236 CA LEU A 78 -5.015 -5.898 -12.486 1.00 2.41 C ATOM 1237 C LEU A 78 -5.262 -4.845 -13.551 1.00 2.82 C ATOM 1238 O LEU A 78 -5.711 -3.760 -13.233 1.00 3.76 O ATOM 1239 CB LEU A 78 -6.261 -6.015 -11.595 1.00 2.79 C ATOM 1240 CG LEU A 78 -6.057 -7.076 -10.497 1.00 3.24 C ATOM 1241 CD1 LEU A 78 -7.321 -7.137 -9.626 1.00 4.18 C ATOM 1242 CD2 LEU A 78 -5.813 -8.458 -11.123 1.00 3.94 C ATOM 0 H LEU A 78 -3.949 -4.515 -11.280 1.00 2.07 H new ATOM 0 HA LEU A 78 -4.816 -6.875 -12.926 1.00 2.41 H new ATOM 0 HB2 LEU A 78 -6.477 -5.050 -11.137 1.00 2.79 H new ATOM 0 HB3 LEU A 78 -7.125 -6.279 -12.205 1.00 2.79 H new ATOM 0 HG LEU A 78 -5.190 -6.804 -9.895 1.00 3.24 H new ATOM 0 HD11 LEU A 78 -7.189 -7.885 -8.844 1.00 4.18 H new ATOM 0 HD12 LEU A 78 -7.496 -6.163 -9.170 1.00 4.18 H new ATOM 0 HD13 LEU A 78 -8.177 -7.406 -10.245 1.00 4.18 H new ATOM 0 HD21 LEU A 78 -5.671 -9.195 -10.333 1.00 3.94 H new ATOM 0 HD22 LEU A 78 -6.673 -8.739 -11.731 1.00 3.94 H new ATOM 0 HD23 LEU A 78 -4.922 -8.421 -11.750 1.00 3.94 H new ATOM 1254 N ILE A 79 -4.855 -5.157 -14.742 1.00 3.15 N ATOM 1255 CA ILE A 79 -5.026 -4.242 -15.895 1.00 3.90 C ATOM 1256 C ILE A 79 -6.452 -3.657 -15.989 1.00 5.54 C ATOM 1257 O ILE A 79 -7.246 -4.060 -16.808 1.00 6.63 O ATOM 1258 CB ILE A 79 -4.660 -5.043 -17.155 1.00 4.59 C ATOM 1259 CG1 ILE A 79 -5.437 -6.377 -17.200 1.00 5.56 C ATOM 1260 CG2 ILE A 79 -3.146 -5.321 -17.146 1.00 4.56 C ATOM 1261 CD1 ILE A 79 -5.252 -7.041 -18.572 1.00 6.98 C ATOM 0 H ILE A 79 -4.395 -6.038 -14.971 1.00 3.15 H new ATOM 0 HA ILE A 79 -4.376 -3.375 -15.778 1.00 3.90 H new ATOM 0 HB ILE A 79 -4.929 -4.463 -18.038 1.00 4.59 H new ATOM 0 HG12 ILE A 79 -5.081 -7.042 -16.413 1.00 5.56 H new ATOM 0 HG13 ILE A 79 -6.496 -6.198 -17.012 1.00 5.56 H new ATOM 0 HG21 ILE A 79 -2.875 -5.889 -18.036 1.00 4.56 H new ATOM 0 HG22 ILE A 79 -2.603 -4.376 -17.139 1.00 4.56 H new ATOM 0 HG23 ILE A 79 -2.887 -5.895 -16.256 1.00 4.56 H new ATOM 0 HD11 ILE A 79 -5.802 -7.982 -18.598 1.00 6.98 H new ATOM 0 HD12 ILE A 79 -5.629 -6.378 -19.351 1.00 6.98 H new ATOM 0 HD13 ILE A 79 -4.193 -7.235 -18.742 1.00 6.98 H new ATOM 1273 N ASN A 80 -6.735 -2.693 -15.158 1.00 6.30 N ATOM 1274 CA ASN A 80 -8.087 -2.055 -15.175 1.00 8.32 C ATOM 1275 C ASN A 80 -8.038 -0.871 -16.134 1.00 9.25 C ATOM 1276 O ASN A 80 -8.451 0.231 -15.819 1.00 10.54 O ATOM 1277 CB ASN A 80 -8.431 -1.582 -13.757 1.00 9.60 C ATOM 1278 CG ASN A 80 -8.993 -2.753 -12.958 1.00 10.40 C ATOM 1279 OD1 ASN A 80 -10.164 -3.050 -13.027 1.00 11.16 O ATOM 1280 ND2 ASN A 80 -8.207 -3.469 -12.208 1.00 10.68 N ATOM 0 H ASN A 80 -6.088 -2.316 -14.465 1.00 6.30 H new ATOM 0 HA ASN A 80 -8.850 -2.760 -15.504 1.00 8.32 H new ATOM 0 HB2 ASN A 80 -7.541 -1.186 -13.267 1.00 9.60 H new ATOM 0 HB3 ASN A 80 -9.159 -0.772 -13.798 1.00 9.60 H new ATOM 0 HD21 ASN A 80 -8.581 -4.265 -11.691 1.00 10.68 H new ATOM 0 HD22 ASN A 80 -7.217 -3.234 -12.137 1.00 10.68 H new ATOM 1287 N ASN A 81 -7.492 -1.143 -17.279 1.00 8.96 N ATOM 1288 CA ASN A 81 -7.350 -0.108 -18.333 1.00 10.31 C ATOM 1289 C ASN A 81 -7.041 -0.800 -19.666 1.00 10.58 C ATOM 1290 O ASN A 81 -6.838 -2.007 -19.607 1.00 10.16 O ATOM 1291 CB ASN A 81 -6.214 0.855 -17.939 1.00 10.97 C ATOM 1292 CG ASN A 81 -4.953 0.080 -17.523 1.00 10.81 C ATOM 1293 OD1 ASN A 81 -4.638 -1.029 -18.129 1.00 11.53 O flip ATOM 1294 ND2 ASN A 81 -4.228 0.489 -16.640 1.00 10.41 N flip ATOM 1295 OXT ASN A 81 -7.023 -0.080 -20.688 1.00 11.65 O ATOM 0 H ASN A 81 -7.129 -2.061 -17.535 1.00 8.96 H new ATOM 0 HA ASN A 81 -8.272 0.464 -18.439 1.00 10.31 H new ATOM 0 HB2 ASN A 81 -5.982 1.511 -18.778 1.00 10.97 H new ATOM 0 HB3 ASN A 81 -6.541 1.492 -17.117 1.00 10.97 H new ATOM 0 HD21 ASN A 81 -4.457 1.355 -16.153 1.00 10.41 H new ATOM 0 HD22 ASN A 81 -3.390 -0.034 -16.385 1.00 10.41 H new TER 1302 ASN A 81