USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 552 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 26 THR OG1 : rot 180:sc= 0.532 USER MOD Set 1.2: A 27 THR OG1 : rot 40:sc= -0.0939 USER MOD Set 1.3: A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -115:sc= 0.522 (180deg=-1.12!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.137 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.06) USER MOD Single : A 8 SER OG : rot 86:sc= 1.23 USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= -0.113 (180deg=-0.729) USER MOD Single : A 12 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.21) USER MOD Single : A 16 ASN : amide:sc= 0.0179 K(o=0.018,f=-7.3!) USER MOD Single : A 17 GLN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 23 LYS NZ :NH3+ 135:sc= 0.0727 (180deg=-0.184) USER MOD Single : A 28 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.8!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 36 ASN : amide:sc= 1.11 K(o=1.1,f=-0.43) USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.76) USER MOD Single : A 39 THR OG1 : rot -114:sc= -0.95 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 80:sc= 1.2 USER MOD Single : A 55 SER OG : rot 114:sc= 1.27 USER MOD Single : A 61 ASN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 63 THR OG1 : rot -38:sc= 0.992 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.131 11.005 4.059 1.00 2.44 N ATOM 2 CA SER A 1 -4.167 10.977 2.948 1.00 1.55 C ATOM 3 C SER A 1 -3.935 9.543 2.480 1.00 1.38 C ATOM 4 O SER A 1 -4.421 8.630 3.145 1.00 1.29 O ATOM 5 CB SER A 1 -2.881 11.640 3.439 1.00 1.49 C ATOM 6 OG SER A 1 -3.300 12.648 4.345 1.00 2.52 O ATOM 0 H1 SER A 1 -5.992 11.506 3.759 1.00 2.44 H new ATOM 0 H2 SER A 1 -5.374 10.031 4.332 1.00 2.44 H new ATOM 0 H3 SER A 1 -4.709 11.498 4.872 1.00 2.44 H new ATOM 0 HA SER A 1 -4.547 11.523 2.084 1.00 1.55 H new ATOM 0 HB2 SER A 1 -2.229 10.917 3.929 1.00 1.49 H new ATOM 0 HB3 SER A 1 -2.317 12.067 2.609 1.00 1.49 H new ATOM 0 HG SER A 1 -2.515 13.115 4.701 1.00 2.52 H new ATOM 12 N ILE A 2 -3.233 9.355 1.359 1.00 1.43 N ATOM 13 CA ILE A 2 -3.010 8.051 0.735 1.00 1.44 C ATOM 14 C ILE A 2 -2.269 7.149 1.711 1.00 1.25 C ATOM 15 O ILE A 2 -2.763 6.088 2.080 1.00 1.27 O ATOM 16 CB ILE A 2 -2.253 8.221 -0.598 1.00 1.67 C ATOM 17 CG1 ILE A 2 -2.937 9.253 -1.513 1.00 3.05 C ATOM 18 CG2 ILE A 2 -2.092 6.883 -1.342 1.00 2.77 C ATOM 19 CD1 ILE A 2 -4.455 9.107 -1.522 1.00 4.32 C ATOM 0 H ILE A 2 -2.795 10.123 0.850 1.00 1.43 H new ATOM 0 HA ILE A 2 -3.964 7.579 0.500 1.00 1.44 H new ATOM 0 HB ILE A 2 -1.260 8.591 -0.343 1.00 1.67 H new ATOM 0 HG12 ILE A 2 -2.673 10.258 -1.183 1.00 3.05 H new ATOM 0 HG13 ILE A 2 -2.558 9.141 -2.529 1.00 3.05 H new ATOM 0 HG21 ILE A 2 -1.554 7.048 -2.275 1.00 2.77 H new ATOM 0 HG22 ILE A 2 -1.533 6.185 -0.719 1.00 2.77 H new ATOM 0 HG23 ILE A 2 -3.076 6.467 -1.559 1.00 2.77 H new ATOM 0 HD11 ILE A 2 -4.889 9.858 -2.182 1.00 4.32 H new ATOM 0 HD12 ILE A 2 -4.723 8.112 -1.878 1.00 4.32 H new ATOM 0 HD13 ILE A 2 -4.840 9.246 -0.512 1.00 4.32 H new ATOM 31 N SER A 3 -1.121 7.630 2.179 1.00 1.10 N ATOM 32 CA SER A 3 -0.319 7.032 3.227 1.00 0.93 C ATOM 33 C SER A 3 -1.176 6.628 4.420 1.00 0.73 C ATOM 34 O SER A 3 -1.061 5.523 4.923 1.00 0.63 O ATOM 35 CB SER A 3 0.686 8.092 3.654 1.00 1.05 C ATOM 36 OG SER A 3 -0.018 9.308 3.866 1.00 2.52 O ATOM 0 H SER A 3 -0.710 8.490 1.816 1.00 1.10 H new ATOM 0 HA SER A 3 0.169 6.128 2.863 1.00 0.93 H new ATOM 0 HB2 SER A 3 1.199 7.785 4.566 1.00 1.05 H new ATOM 0 HB3 SER A 3 1.450 8.223 2.887 1.00 1.05 H new ATOM 0 HG SER A 3 0.611 10.006 4.144 1.00 2.52 H new ATOM 42 N SER A 4 -2.046 7.525 4.884 1.00 0.72 N ATOM 43 CA SER A 4 -2.945 7.201 5.979 1.00 0.65 C ATOM 44 C SER A 4 -3.785 5.978 5.615 1.00 0.64 C ATOM 45 O SER A 4 -3.883 5.074 6.435 1.00 0.54 O ATOM 46 CB SER A 4 -3.777 8.418 6.398 1.00 0.76 C ATOM 47 OG SER A 4 -4.952 8.069 7.101 1.00 2.19 O ATOM 0 H SER A 4 -2.143 8.472 4.519 1.00 0.72 H new ATOM 0 HA SER A 4 -2.363 6.935 6.861 1.00 0.65 H new ATOM 0 HB2 SER A 4 -3.167 9.070 7.023 1.00 0.76 H new ATOM 0 HB3 SER A 4 -4.048 8.989 5.510 1.00 0.76 H new ATOM 0 HG SER A 4 -5.442 8.882 7.344 1.00 2.19 H new ATOM 53 N ARG A 5 -4.361 5.902 4.412 1.00 0.80 N ATOM 54 CA ARG A 5 -5.163 4.737 4.045 1.00 0.86 C ATOM 55 C ARG A 5 -4.294 3.477 4.010 1.00 0.69 C ATOM 56 O ARG A 5 -4.614 2.460 4.628 1.00 0.57 O ATOM 57 CB ARG A 5 -5.891 4.924 2.705 1.00 1.21 C ATOM 58 CG ARG A 5 -6.309 6.355 2.383 1.00 1.10 C ATOM 59 CD ARG A 5 -7.554 6.386 1.482 1.00 1.86 C ATOM 60 NE ARG A 5 -7.507 7.444 0.454 1.00 2.08 N ATOM 61 CZ ARG A 5 -7.366 8.758 0.694 1.00 3.07 C ATOM 62 NH1 ARG A 5 -7.320 9.211 1.948 1.00 4.12 N ATOM 63 NH2 ARG A 5 -7.306 9.635 -0.310 1.00 3.51 N ATOM 0 H ARG A 5 -4.288 6.619 3.690 1.00 0.80 H new ATOM 0 HA ARG A 5 -5.929 4.623 4.812 1.00 0.86 H new ATOM 0 HB2 ARG A 5 -5.244 4.564 1.906 1.00 1.21 H new ATOM 0 HB3 ARG A 5 -6.781 4.294 2.703 1.00 1.21 H new ATOM 0 HG2 ARG A 5 -6.514 6.893 3.309 1.00 1.10 H new ATOM 0 HG3 ARG A 5 -5.487 6.873 1.889 1.00 1.10 H new ATOM 0 HD2 ARG A 5 -7.663 5.418 0.992 1.00 1.86 H new ATOM 0 HD3 ARG A 5 -8.439 6.531 2.102 1.00 1.86 H new ATOM 0 HE ARG A 5 -7.588 7.153 -0.520 1.00 2.08 H new ATOM 0 HH11 ARG A 5 -7.392 8.559 2.729 1.00 4.12 H new ATOM 0 HH12 ARG A 5 -7.213 10.210 2.126 1.00 4.12 H new ATOM 0 HH21 ARG A 5 -7.367 9.310 -1.275 1.00 3.51 H new ATOM 0 HH22 ARG A 5 -7.199 10.630 -0.112 1.00 3.51 H new ATOM 77 N VAL A 6 -3.189 3.569 3.271 1.00 0.78 N ATOM 78 CA VAL A 6 -2.250 2.489 3.050 1.00 0.83 C ATOM 79 C VAL A 6 -1.788 1.932 4.408 1.00 0.67 C ATOM 80 O VAL A 6 -1.919 0.740 4.694 1.00 0.72 O ATOM 81 CB VAL A 6 -1.096 3.005 2.168 1.00 1.11 C ATOM 82 CG1 VAL A 6 -0.062 1.904 1.951 1.00 1.32 C ATOM 83 CG2 VAL A 6 -1.542 3.479 0.778 1.00 1.45 C ATOM 0 H VAL A 6 -2.921 4.431 2.797 1.00 0.78 H new ATOM 0 HA VAL A 6 -2.712 1.659 2.515 1.00 0.83 H new ATOM 0 HB VAL A 6 -0.684 3.856 2.710 1.00 1.11 H new ATOM 0 HG11 VAL A 6 0.747 2.283 1.326 1.00 1.32 H new ATOM 0 HG12 VAL A 6 0.340 1.588 2.913 1.00 1.32 H new ATOM 0 HG13 VAL A 6 -0.534 1.054 1.458 1.00 1.32 H new ATOM 0 HG21 VAL A 6 -0.675 3.827 0.217 1.00 1.45 H new ATOM 0 HG22 VAL A 6 -2.011 2.652 0.245 1.00 1.45 H new ATOM 0 HG23 VAL A 6 -2.257 4.295 0.884 1.00 1.45 H new ATOM 93 N LYS A 7 -1.262 2.810 5.263 1.00 0.58 N ATOM 94 CA LYS A 7 -0.806 2.461 6.592 1.00 0.57 C ATOM 95 C LYS A 7 -1.968 1.939 7.444 1.00 0.55 C ATOM 96 O LYS A 7 -1.833 0.871 8.031 1.00 0.64 O ATOM 97 CB LYS A 7 -0.074 3.632 7.263 1.00 0.54 C ATOM 98 CG LYS A 7 1.022 3.089 8.191 1.00 1.03 C ATOM 99 CD LYS A 7 1.305 4.029 9.366 1.00 1.26 C ATOM 100 CE LYS A 7 1.854 5.398 8.940 1.00 2.30 C ATOM 101 NZ LYS A 7 3.117 5.312 8.167 1.00 3.78 N ATOM 0 H LYS A 7 -1.143 3.798 5.039 1.00 0.58 H new ATOM 0 HA LYS A 7 -0.080 1.653 6.501 1.00 0.57 H new ATOM 0 HB2 LYS A 7 0.365 4.282 6.506 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -0.780 4.237 7.832 1.00 0.54 H new ATOM 0 HG2 LYS A 7 0.721 2.113 8.573 1.00 1.03 H new ATOM 0 HG3 LYS A 7 1.938 2.939 7.619 1.00 1.03 H new ATOM 0 HD2 LYS A 7 0.385 4.176 9.932 1.00 1.26 H new ATOM 0 HD3 LYS A 7 2.020 3.553 10.037 1.00 1.26 H new ATOM 0 HE2 LYS A 7 1.103 5.911 8.339 1.00 2.30 H new ATOM 0 HE3 LYS A 7 2.021 6.007 9.829 1.00 2.30 H new ATOM 0 HZ1 LYS A 7 3.695 6.157 8.351 1.00 3.78 H new ATOM 0 HZ2 LYS A 7 3.644 4.463 8.456 1.00 3.78 H new ATOM 0 HZ3 LYS A 7 2.899 5.256 7.152 1.00 3.78 H new ATOM 115 N SER A 8 -3.103 2.652 7.514 1.00 0.51 N ATOM 116 CA SER A 8 -4.291 2.203 8.249 1.00 0.59 C ATOM 117 C SER A 8 -4.573 0.735 7.956 1.00 0.58 C ATOM 118 O SER A 8 -4.808 -0.057 8.870 1.00 0.61 O ATOM 119 CB SER A 8 -5.540 3.022 7.898 1.00 0.75 C ATOM 120 OG SER A 8 -5.456 4.318 8.451 1.00 1.30 O ATOM 0 H SER A 8 -3.221 3.558 7.061 1.00 0.51 H new ATOM 0 HA SER A 8 -4.073 2.345 9.308 1.00 0.59 H new ATOM 0 HB2 SER A 8 -5.645 3.089 6.815 1.00 0.75 H new ATOM 0 HB3 SER A 8 -6.430 2.517 8.274 1.00 0.75 H new ATOM 0 HG SER A 8 -4.971 4.906 7.835 1.00 1.30 H new ATOM 126 N LYS A 9 -4.537 0.371 6.672 1.00 0.57 N ATOM 127 CA LYS A 9 -4.750 -1.006 6.299 1.00 0.67 C ATOM 128 C LYS A 9 -3.669 -1.900 6.900 1.00 0.62 C ATOM 129 O LYS A 9 -4.008 -2.926 7.471 1.00 0.66 O ATOM 130 CB LYS A 9 -4.825 -1.130 4.784 1.00 0.78 C ATOM 131 CG LYS A 9 -5.963 -2.069 4.405 1.00 0.84 C ATOM 132 CD LYS A 9 -7.323 -1.354 4.447 1.00 1.36 C ATOM 133 CE LYS A 9 -8.453 -2.354 4.154 1.00 1.40 C ATOM 134 NZ LYS A 9 -9.794 -1.766 4.386 1.00 2.33 N ATOM 0 H LYS A 9 -4.365 1.007 5.894 1.00 0.57 H new ATOM 0 HA LYS A 9 -5.703 -1.346 6.704 1.00 0.67 H new ATOM 0 HB2 LYS A 9 -4.985 -0.149 4.336 1.00 0.78 H new ATOM 0 HB3 LYS A 9 -3.881 -1.509 4.393 1.00 0.78 H new ATOM 0 HG2 LYS A 9 -5.790 -2.466 3.405 1.00 0.84 H new ATOM 0 HG3 LYS A 9 -5.977 -2.919 5.087 1.00 0.84 H new ATOM 0 HD2 LYS A 9 -7.474 -0.899 5.426 1.00 1.36 H new ATOM 0 HD3 LYS A 9 -7.342 -0.547 3.714 1.00 1.36 H new ATOM 0 HE2 LYS A 9 -8.379 -2.690 3.120 1.00 1.40 H new ATOM 0 HE3 LYS A 9 -8.330 -3.234 4.785 1.00 1.40 H new ATOM 0 HZ1 LYS A 9 -10.507 -2.310 3.860 1.00 2.33 H new ATOM 0 HZ2 LYS A 9 -10.015 -1.796 5.402 1.00 2.33 H new ATOM 0 HZ3 LYS A 9 -9.801 -0.779 4.059 1.00 2.33 H new ATOM 148 N ARG A 10 -2.393 -1.511 6.807 1.00 0.58 N ATOM 149 CA ARG A 10 -1.279 -2.200 7.466 1.00 0.56 C ATOM 150 C ARG A 10 -1.629 -2.547 8.921 1.00 0.54 C ATOM 151 O ARG A 10 -1.497 -3.698 9.346 1.00 0.60 O ATOM 152 CB ARG A 10 -0.018 -1.317 7.421 1.00 0.50 C ATOM 153 CG ARG A 10 1.272 -2.114 7.197 1.00 0.90 C ATOM 154 CD ARG A 10 1.730 -1.959 5.750 1.00 1.43 C ATOM 155 NE ARG A 10 2.249 -0.609 5.490 1.00 1.60 N ATOM 156 CZ ARG A 10 2.077 0.096 4.362 1.00 2.90 C ATOM 157 NH1 ARG A 10 1.561 -0.479 3.273 1.00 4.26 N ATOM 158 NH2 ARG A 10 2.441 1.378 4.349 1.00 2.94 N ATOM 0 H ARG A 10 -2.101 -0.698 6.265 1.00 0.58 H new ATOM 0 HA ARG A 10 -1.087 -3.131 6.932 1.00 0.56 H new ATOM 0 HB2 ARG A 10 -0.126 -0.582 6.624 1.00 0.50 H new ATOM 0 HB3 ARG A 10 0.063 -0.763 8.356 1.00 0.50 H new ATOM 0 HG2 ARG A 10 2.050 -1.762 7.874 1.00 0.90 H new ATOM 0 HG3 ARG A 10 1.104 -3.167 7.424 1.00 0.90 H new ATOM 0 HD2 ARG A 10 2.503 -2.695 5.531 1.00 1.43 H new ATOM 0 HD3 ARG A 10 0.896 -2.164 5.079 1.00 1.43 H new ATOM 0 HE ARG A 10 2.789 -0.168 6.235 1.00 1.60 H new ATOM 0 HH11 ARG A 10 1.294 -1.463 3.294 1.00 4.26 H new ATOM 0 HH12 ARG A 10 1.434 0.066 2.420 1.00 4.26 H new ATOM 0 HH21 ARG A 10 2.841 1.803 5.186 1.00 2.94 H new ATOM 0 HH22 ARG A 10 2.320 1.934 3.503 1.00 2.94 H new ATOM 172 N ILE A 11 -2.090 -1.545 9.679 1.00 0.52 N ATOM 173 CA ILE A 11 -2.506 -1.750 11.062 1.00 0.61 C ATOM 174 C ILE A 11 -3.641 -2.775 11.113 1.00 0.73 C ATOM 175 O ILE A 11 -3.520 -3.782 11.802 1.00 0.84 O ATOM 176 CB ILE A 11 -2.895 -0.435 11.763 1.00 0.68 C ATOM 177 CG1 ILE A 11 -1.685 0.486 12.002 1.00 0.72 C ATOM 178 CG2 ILE A 11 -3.484 -0.726 13.155 1.00 1.05 C ATOM 179 CD1 ILE A 11 -1.326 1.399 10.837 1.00 1.24 C ATOM 0 H ILE A 11 -2.183 -0.583 9.352 1.00 0.52 H new ATOM 0 HA ILE A 11 -1.652 -2.141 11.615 1.00 0.61 H new ATOM 0 HB ILE A 11 -3.612 0.051 11.102 1.00 0.68 H new ATOM 0 HG12 ILE A 11 -1.885 1.103 12.878 1.00 0.72 H new ATOM 0 HG13 ILE A 11 -0.819 -0.132 12.239 1.00 0.72 H new ATOM 0 HG21 ILE A 11 -3.755 0.212 13.639 1.00 1.05 H new ATOM 0 HG22 ILE A 11 -4.372 -1.350 13.051 1.00 1.05 H new ATOM 0 HG23 ILE A 11 -2.743 -1.247 13.762 1.00 1.05 H new ATOM 0 HD11 ILE A 11 -0.462 2.007 11.104 1.00 1.24 H new ATOM 0 HD12 ILE A 11 -1.088 0.795 9.961 1.00 1.24 H new ATOM 0 HD13 ILE A 11 -2.171 2.049 10.611 1.00 1.24 H new ATOM 191 N GLN A 12 -4.742 -2.531 10.400 1.00 0.73 N ATOM 192 CA GLN A 12 -5.902 -3.430 10.420 1.00 0.86 C ATOM 193 C GLN A 12 -5.542 -4.871 10.011 1.00 0.93 C ATOM 194 O GLN A 12 -6.111 -5.823 10.539 1.00 1.09 O ATOM 195 CB GLN A 12 -7.038 -2.857 9.557 1.00 0.90 C ATOM 196 CG GLN A 12 -7.667 -1.596 10.171 1.00 1.68 C ATOM 197 CD GLN A 12 -8.512 -1.906 11.406 1.00 2.52 C ATOM 198 OE1 GLN A 12 -8.011 -1.917 12.524 1.00 4.20 O ATOM 199 NE2 GLN A 12 -9.807 -2.152 11.223 1.00 2.66 N ATOM 0 H GLN A 12 -4.857 -1.715 9.798 1.00 0.73 H new ATOM 0 HA GLN A 12 -6.252 -3.491 11.451 1.00 0.86 H new ATOM 0 HB2 GLN A 12 -6.652 -2.620 8.565 1.00 0.90 H new ATOM 0 HB3 GLN A 12 -7.809 -3.617 9.426 1.00 0.90 H new ATOM 0 HG2 GLN A 12 -6.877 -0.895 10.441 1.00 1.68 H new ATOM 0 HG3 GLN A 12 -8.289 -1.103 9.424 1.00 1.68 H new ATOM 0 HE21 GLN A 12 -10.201 -2.137 10.282 1.00 2.66 H new ATOM 0 HE22 GLN A 12 -10.406 -2.355 12.023 1.00 2.66 H new ATOM 208 N LEU A 13 -4.595 -5.035 9.087 1.00 0.84 N ATOM 209 CA LEU A 13 -4.018 -6.315 8.683 1.00 0.94 C ATOM 210 C LEU A 13 -3.206 -6.933 9.822 1.00 0.91 C ATOM 211 O LEU A 13 -3.082 -8.153 9.900 1.00 1.08 O ATOM 212 CB LEU A 13 -3.118 -6.099 7.456 1.00 0.91 C ATOM 213 CG LEU A 13 -3.949 -5.995 6.171 1.00 1.14 C ATOM 214 CD1 LEU A 13 -3.327 -5.027 5.160 1.00 2.78 C ATOM 215 CD2 LEU A 13 -4.080 -7.379 5.522 1.00 2.37 C ATOM 0 H LEU A 13 -4.193 -4.247 8.580 1.00 0.84 H new ATOM 0 HA LEU A 13 -4.827 -7.002 8.433 1.00 0.94 H new ATOM 0 HB2 LEU A 13 -2.531 -5.190 7.587 1.00 0.91 H new ATOM 0 HB3 LEU A 13 -2.412 -6.925 7.370 1.00 0.91 H new ATOM 0 HG LEU A 13 -4.930 -5.611 6.450 1.00 1.14 H new ATOM 0 HD11 LEU A 13 -3.949 -4.985 4.266 1.00 2.78 H new ATOM 0 HD12 LEU A 13 -3.260 -4.033 5.602 1.00 2.78 H new ATOM 0 HD13 LEU A 13 -2.329 -5.373 4.892 1.00 2.78 H new ATOM 0 HD21 LEU A 13 -4.671 -7.299 4.610 1.00 2.37 H new ATOM 0 HD22 LEU A 13 -3.089 -7.762 5.279 1.00 2.37 H new ATOM 0 HD23 LEU A 13 -4.573 -8.061 6.215 1.00 2.37 H new ATOM 227 N GLY A 14 -2.628 -6.096 10.685 1.00 0.75 N ATOM 228 CA GLY A 14 -1.830 -6.517 11.823 1.00 0.80 C ATOM 229 C GLY A 14 -0.397 -6.801 11.394 1.00 0.58 C ATOM 230 O GLY A 14 0.235 -7.714 11.921 1.00 0.63 O ATOM 0 H GLY A 14 -2.708 -5.082 10.604 1.00 0.75 H new ATOM 0 HA2 GLY A 14 -1.840 -5.741 12.588 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -2.266 -7.411 12.270 1.00 0.80 H new ATOM 234 N LEU A 15 0.115 -6.038 10.421 1.00 0.47 N ATOM 235 CA LEU A 15 1.426 -6.261 9.829 1.00 0.44 C ATOM 236 C LEU A 15 2.115 -4.910 9.619 1.00 0.40 C ATOM 237 O LEU A 15 1.483 -3.863 9.743 1.00 0.54 O ATOM 238 CB LEU A 15 1.265 -7.031 8.506 1.00 0.58 C ATOM 239 CG LEU A 15 0.714 -8.462 8.681 1.00 0.95 C ATOM 240 CD1 LEU A 15 0.156 -8.978 7.352 1.00 0.96 C ATOM 241 CD2 LEU A 15 1.788 -9.438 9.172 1.00 1.29 C ATOM 0 H LEU A 15 -0.381 -5.241 10.023 1.00 0.47 H new ATOM 0 HA LEU A 15 2.049 -6.862 10.491 1.00 0.44 H new ATOM 0 HB2 LEU A 15 0.597 -6.472 7.850 1.00 0.58 H new ATOM 0 HB3 LEU A 15 2.232 -7.083 8.007 1.00 0.58 H new ATOM 0 HG LEU A 15 -0.074 -8.409 9.432 1.00 0.95 H new ATOM 0 HD11 LEU A 15 -0.230 -9.988 7.487 1.00 0.96 H new ATOM 0 HD12 LEU A 15 -0.649 -8.324 7.017 1.00 0.96 H new ATOM 0 HD13 LEU A 15 0.949 -8.990 6.604 1.00 0.96 H new ATOM 0 HD21 LEU A 15 1.354 -10.432 9.280 1.00 1.29 H new ATOM 0 HD22 LEU A 15 2.604 -9.475 8.450 1.00 1.29 H new ATOM 0 HD23 LEU A 15 2.171 -9.102 10.136 1.00 1.29 H new ATOM 253 N ASN A 16 3.417 -4.930 9.318 1.00 0.46 N ATOM 254 CA ASN A 16 4.216 -3.731 9.071 1.00 0.56 C ATOM 255 C ASN A 16 4.484 -3.558 7.572 1.00 0.50 C ATOM 256 O ASN A 16 4.087 -4.383 6.751 1.00 0.48 O ATOM 257 CB ASN A 16 5.528 -3.781 9.867 1.00 0.72 C ATOM 258 CG ASN A 16 6.522 -4.748 9.240 1.00 0.90 C ATOM 259 OD1 ASN A 16 7.328 -4.359 8.403 1.00 1.87 O ATOM 260 ND2 ASN A 16 6.437 -6.020 9.601 1.00 1.16 N ATOM 0 H ASN A 16 3.952 -5.795 9.238 1.00 0.46 H new ATOM 0 HA ASN A 16 3.650 -2.864 9.412 1.00 0.56 H new ATOM 0 HB2 ASN A 16 5.967 -2.784 9.911 1.00 0.72 H new ATOM 0 HB3 ASN A 16 5.321 -4.084 10.893 1.00 0.72 H new ATOM 0 HD21 ASN A 16 7.055 -6.712 9.178 1.00 1.16 H new ATOM 0 HD22 ASN A 16 5.753 -6.307 10.301 1.00 1.16 H new ATOM 267 N GLN A 17 5.180 -2.472 7.226 1.00 0.48 N ATOM 268 CA GLN A 17 5.534 -2.112 5.857 1.00 0.46 C ATOM 269 C GLN A 17 6.309 -3.226 5.147 1.00 0.46 C ATOM 270 O GLN A 17 5.959 -3.587 4.027 1.00 0.42 O ATOM 271 CB GLN A 17 6.313 -0.788 5.850 1.00 0.49 C ATOM 272 CG GLN A 17 5.380 0.419 5.976 1.00 0.65 C ATOM 273 CD GLN A 17 6.120 1.749 5.893 1.00 0.95 C ATOM 274 OE1 GLN A 17 6.233 2.458 6.885 1.00 2.34 O ATOM 275 NE2 GLN A 17 6.598 2.108 4.706 1.00 1.06 N ATOM 0 H GLN A 17 5.521 -1.801 7.914 1.00 0.48 H new ATOM 0 HA GLN A 17 4.611 -1.978 5.294 1.00 0.46 H new ATOM 0 HB2 GLN A 17 7.028 -0.782 6.672 1.00 0.49 H new ATOM 0 HB3 GLN A 17 6.888 -0.709 4.927 1.00 0.49 H new ATOM 0 HG2 GLN A 17 4.629 0.376 5.187 1.00 0.65 H new ATOM 0 HG3 GLN A 17 4.848 0.363 6.925 1.00 0.65 H new ATOM 0 HE21 GLN A 17 6.484 1.490 3.902 1.00 1.06 H new ATOM 0 HE22 GLN A 17 7.078 3.001 4.599 1.00 1.06 H new ATOM 284 N ALA A 18 7.361 -3.757 5.771 1.00 0.62 N ATOM 285 CA ALA A 18 8.208 -4.788 5.182 1.00 0.72 C ATOM 286 C ALA A 18 7.413 -6.071 4.948 1.00 0.63 C ATOM 287 O ALA A 18 7.418 -6.611 3.843 1.00 0.57 O ATOM 288 CB ALA A 18 9.425 -5.041 6.075 1.00 0.97 C ATOM 0 H ALA A 18 7.650 -3.479 6.709 1.00 0.62 H new ATOM 0 HA ALA A 18 8.564 -4.441 4.212 1.00 0.72 H new ATOM 0 HB1 ALA A 18 10.051 -5.812 5.627 1.00 0.97 H new ATOM 0 HB2 ALA A 18 10.000 -4.120 6.176 1.00 0.97 H new ATOM 0 HB3 ALA A 18 9.092 -5.371 7.059 1.00 0.97 H new ATOM 294 N GLU A 19 6.671 -6.512 5.970 1.00 0.70 N ATOM 295 CA GLU A 19 5.742 -7.629 5.838 1.00 0.71 C ATOM 296 C GLU A 19 4.821 -7.412 4.647 1.00 0.56 C ATOM 297 O GLU A 19 4.754 -8.243 3.744 1.00 0.68 O ATOM 298 CB GLU A 19 4.891 -7.784 7.104 1.00 0.82 C ATOM 299 CG GLU A 19 5.426 -8.903 7.999 1.00 0.71 C ATOM 300 CD GLU A 19 5.208 -10.281 7.367 1.00 1.77 C ATOM 301 OE1 GLU A 19 4.106 -10.505 6.804 1.00 2.85 O ATOM 302 OE2 GLU A 19 6.156 -11.085 7.455 1.00 3.08 O ATOM 0 H GLU A 19 6.700 -6.104 6.905 1.00 0.70 H new ATOM 0 HA GLU A 19 6.330 -8.535 5.689 1.00 0.71 H new ATOM 0 HB2 GLU A 19 4.884 -6.845 7.657 1.00 0.82 H new ATOM 0 HB3 GLU A 19 3.859 -7.999 6.827 1.00 0.82 H new ATOM 0 HG2 GLU A 19 6.490 -8.749 8.179 1.00 0.71 H new ATOM 0 HG3 GLU A 19 4.929 -8.864 8.968 1.00 0.71 H new ATOM 309 N LEU A 20 4.119 -6.284 4.626 1.00 0.38 N ATOM 310 CA LEU A 20 3.215 -5.999 3.533 1.00 0.37 C ATOM 311 C LEU A 20 3.959 -6.019 2.194 1.00 0.33 C ATOM 312 O LEU A 20 3.448 -6.578 1.233 1.00 0.38 O ATOM 313 CB LEU A 20 2.482 -4.691 3.804 1.00 0.44 C ATOM 314 CG LEU A 20 1.368 -4.470 2.768 1.00 0.67 C ATOM 315 CD1 LEU A 20 0.016 -4.117 3.405 1.00 1.59 C ATOM 316 CD2 LEU A 20 1.795 -3.412 1.749 1.00 1.05 C ATOM 0 H LEU A 20 4.162 -5.564 5.347 1.00 0.38 H new ATOM 0 HA LEU A 20 2.457 -6.779 3.462 1.00 0.37 H new ATOM 0 HB2 LEU A 20 2.055 -4.708 4.807 1.00 0.44 H new ATOM 0 HB3 LEU A 20 3.186 -3.860 3.772 1.00 0.44 H new ATOM 0 HG LEU A 20 1.217 -5.419 2.253 1.00 0.67 H new ATOM 0 HD11 LEU A 20 -0.729 -3.973 2.622 1.00 1.59 H new ATOM 0 HD12 LEU A 20 -0.300 -4.928 4.062 1.00 1.59 H new ATOM 0 HD13 LEU A 20 0.115 -3.199 3.984 1.00 1.59 H new ATOM 0 HD21 LEU A 20 0.997 -3.265 1.021 1.00 1.05 H new ATOM 0 HD22 LEU A 20 1.995 -2.472 2.263 1.00 1.05 H new ATOM 0 HD23 LEU A 20 2.698 -3.744 1.236 1.00 1.05 H new ATOM 328 N ALA A 21 5.175 -5.469 2.126 1.00 0.31 N ATOM 329 CA ALA A 21 6.010 -5.560 0.934 1.00 0.34 C ATOM 330 C ALA A 21 6.178 -7.014 0.485 1.00 0.30 C ATOM 331 O ALA A 21 6.021 -7.323 -0.697 1.00 0.32 O ATOM 332 CB ALA A 21 7.376 -4.907 1.165 1.00 0.43 C ATOM 0 H ALA A 21 5.603 -4.952 2.894 1.00 0.31 H new ATOM 0 HA ALA A 21 5.503 -5.016 0.137 1.00 0.34 H new ATOM 0 HB1 ALA A 21 7.977 -4.990 0.259 1.00 0.43 H new ATOM 0 HB2 ALA A 21 7.239 -3.855 1.414 1.00 0.43 H new ATOM 0 HB3 ALA A 21 7.886 -5.411 1.986 1.00 0.43 H new ATOM 338 N GLN A 22 6.477 -7.916 1.426 1.00 0.34 N ATOM 339 CA GLN A 22 6.575 -9.336 1.118 1.00 0.41 C ATOM 340 C GLN A 22 5.237 -9.882 0.612 1.00 0.46 C ATOM 341 O GLN A 22 5.207 -10.580 -0.396 1.00 0.52 O ATOM 342 CB GLN A 22 7.084 -10.150 2.313 1.00 0.56 C ATOM 343 CG GLN A 22 8.496 -9.724 2.737 1.00 1.68 C ATOM 344 CD GLN A 22 9.235 -10.834 3.479 1.00 2.13 C ATOM 345 OE1 GLN A 22 8.631 -11.756 4.015 1.00 2.23 O ATOM 346 NE2 GLN A 22 10.563 -10.773 3.497 1.00 3.50 N ATOM 0 H GLN A 22 6.654 -7.683 2.403 1.00 0.34 H new ATOM 0 HA GLN A 22 7.310 -9.442 0.320 1.00 0.41 H new ATOM 0 HB2 GLN A 22 6.400 -10.027 3.153 1.00 0.56 H new ATOM 0 HB3 GLN A 22 7.086 -11.209 2.056 1.00 0.56 H new ATOM 0 HG2 GLN A 22 9.067 -9.437 1.854 1.00 1.68 H new ATOM 0 HG3 GLN A 22 8.431 -8.843 3.376 1.00 1.68 H new ATOM 0 HE21 GLN A 22 11.044 -9.996 3.044 1.00 3.50 H new ATOM 0 HE22 GLN A 22 11.101 -11.503 3.964 1.00 3.50 H new ATOM 355 N LYS A 23 4.130 -9.557 1.283 1.00 0.49 N ATOM 356 CA LYS A 23 2.802 -10.006 0.865 1.00 0.61 C ATOM 357 C LYS A 23 2.430 -9.476 -0.527 1.00 0.62 C ATOM 358 O LYS A 23 1.757 -10.162 -1.290 1.00 0.75 O ATOM 359 CB LYS A 23 1.747 -9.627 1.916 1.00 0.71 C ATOM 360 CG LYS A 23 2.016 -10.205 3.316 1.00 1.72 C ATOM 361 CD LYS A 23 1.979 -11.741 3.341 1.00 2.71 C ATOM 362 CE LYS A 23 2.315 -12.330 4.719 1.00 3.22 C ATOM 363 NZ LYS A 23 1.453 -11.821 5.800 1.00 3.36 N ATOM 0 H LYS A 23 4.129 -8.980 2.124 1.00 0.49 H new ATOM 0 HA LYS A 23 2.827 -11.093 0.789 1.00 0.61 H new ATOM 0 HB2 LYS A 23 1.695 -8.541 1.987 1.00 0.71 H new ATOM 0 HB3 LYS A 23 0.771 -9.971 1.575 1.00 0.71 H new ATOM 0 HG2 LYS A 23 2.991 -9.864 3.664 1.00 1.72 H new ATOM 0 HG3 LYS A 23 1.274 -9.816 4.014 1.00 1.72 H new ATOM 0 HD2 LYS A 23 0.988 -12.079 3.040 1.00 2.71 H new ATOM 0 HD3 LYS A 23 2.685 -12.127 2.606 1.00 2.71 H new ATOM 0 HE2 LYS A 23 2.225 -13.415 4.673 1.00 3.22 H new ATOM 0 HE3 LYS A 23 3.355 -12.106 4.958 1.00 3.22 H new ATOM 0 HZ1 LYS A 23 1.144 -12.613 6.400 1.00 3.36 H new ATOM 0 HZ2 LYS A 23 1.985 -11.138 6.376 1.00 3.36 H new ATOM 0 HZ3 LYS A 23 0.620 -11.353 5.389 1.00 3.36 H new ATOM 377 N VAL A 24 2.884 -8.267 -0.861 1.00 0.52 N ATOM 378 CA VAL A 24 2.772 -7.688 -2.191 1.00 0.58 C ATOM 379 C VAL A 24 3.725 -8.381 -3.167 1.00 0.62 C ATOM 380 O VAL A 24 3.427 -8.466 -4.351 1.00 0.75 O ATOM 381 CB VAL A 24 3.036 -6.178 -2.099 1.00 0.54 C ATOM 382 CG1 VAL A 24 3.174 -5.510 -3.469 1.00 0.61 C ATOM 383 CG2 VAL A 24 1.865 -5.512 -1.382 1.00 0.61 C ATOM 0 H VAL A 24 3.350 -7.652 -0.194 1.00 0.52 H new ATOM 0 HA VAL A 24 1.765 -7.841 -2.579 1.00 0.58 H new ATOM 0 HB VAL A 24 3.976 -6.056 -1.562 1.00 0.54 H new ATOM 0 HG11 VAL A 24 3.359 -4.444 -3.337 1.00 0.61 H new ATOM 0 HG12 VAL A 24 4.007 -5.959 -4.010 1.00 0.61 H new ATOM 0 HG13 VAL A 24 2.254 -5.651 -4.037 1.00 0.61 H new ATOM 0 HG21 VAL A 24 2.044 -4.439 -1.312 1.00 0.61 H new ATOM 0 HG22 VAL A 24 0.947 -5.691 -1.941 1.00 0.61 H new ATOM 0 HG23 VAL A 24 1.767 -5.930 -0.380 1.00 0.61 H new ATOM 393 N GLY A 25 4.870 -8.864 -2.685 1.00 0.55 N ATOM 394 CA GLY A 25 5.889 -9.475 -3.523 1.00 0.60 C ATOM 395 C GLY A 25 6.756 -8.393 -4.159 1.00 0.58 C ATOM 396 O GLY A 25 7.184 -8.520 -5.304 1.00 0.72 O ATOM 0 H GLY A 25 5.113 -8.840 -1.695 1.00 0.55 H new ATOM 0 HA2 GLY A 25 6.508 -10.146 -2.927 1.00 0.60 H new ATOM 0 HA3 GLY A 25 5.420 -10.080 -4.299 1.00 0.60 H new ATOM 400 N THR A 26 7.028 -7.330 -3.397 1.00 0.48 N ATOM 401 CA THR A 26 7.925 -6.253 -3.781 1.00 0.54 C ATOM 402 C THR A 26 8.939 -6.043 -2.656 1.00 0.50 C ATOM 403 O THR A 26 9.218 -6.946 -1.869 1.00 0.51 O ATOM 404 CB THR A 26 7.106 -4.992 -4.138 1.00 0.63 C ATOM 405 OG1 THR A 26 7.938 -3.997 -4.707 1.00 0.77 O ATOM 406 CG2 THR A 26 6.387 -4.368 -2.939 1.00 0.48 C ATOM 0 H THR A 26 6.616 -7.198 -2.473 1.00 0.48 H new ATOM 0 HA THR A 26 8.490 -6.501 -4.679 1.00 0.54 H new ATOM 0 HB THR A 26 6.354 -5.334 -4.849 1.00 0.63 H new ATOM 0 HG1 THR A 26 7.400 -3.208 -4.927 1.00 0.77 H new ATOM 0 HG21 THR A 26 5.833 -3.488 -3.265 1.00 0.48 H new ATOM 0 HG22 THR A 26 5.696 -5.094 -2.511 1.00 0.48 H new ATOM 0 HG23 THR A 26 7.120 -4.077 -2.186 1.00 0.48 H new ATOM 414 N THR A 27 9.489 -4.837 -2.591 1.00 0.61 N ATOM 415 CA THR A 27 10.547 -4.423 -1.690 1.00 0.72 C ATOM 416 C THR A 27 10.046 -3.259 -0.840 1.00 0.65 C ATOM 417 O THR A 27 9.420 -2.344 -1.378 1.00 0.64 O ATOM 418 CB THR A 27 11.728 -3.970 -2.553 1.00 1.01 C ATOM 419 OG1 THR A 27 11.232 -3.172 -3.617 1.00 1.13 O ATOM 420 CG2 THR A 27 12.473 -5.170 -3.140 1.00 1.22 C ATOM 0 H THR A 27 9.187 -4.080 -3.204 1.00 0.61 H new ATOM 0 HA THR A 27 10.849 -5.236 -1.030 1.00 0.72 H new ATOM 0 HB THR A 27 12.421 -3.404 -1.930 1.00 1.01 H new ATOM 0 HG1 THR A 27 10.515 -2.592 -3.284 1.00 1.13 H new ATOM 0 HG21 THR A 27 13.307 -4.819 -3.748 1.00 1.22 H new ATOM 0 HG22 THR A 27 12.852 -5.794 -2.331 1.00 1.22 H new ATOM 0 HG23 THR A 27 11.792 -5.753 -3.760 1.00 1.22 H new ATOM 428 N GLN A 28 10.355 -3.266 0.462 1.00 0.68 N ATOM 429 CA GLN A 28 9.906 -2.255 1.416 1.00 0.66 C ATOM 430 C GLN A 28 10.176 -0.832 0.920 1.00 0.59 C ATOM 431 O GLN A 28 9.357 0.053 1.146 1.00 0.53 O ATOM 432 CB GLN A 28 10.536 -2.515 2.792 1.00 0.74 C ATOM 433 CG GLN A 28 9.862 -1.690 3.910 1.00 0.88 C ATOM 434 CD GLN A 28 10.715 -0.556 4.480 1.00 1.41 C ATOM 435 OE1 GLN A 28 11.930 -0.533 4.328 1.00 2.75 O ATOM 436 NE2 GLN A 28 10.087 0.387 5.177 1.00 2.11 N ATOM 0 H GLN A 28 10.935 -3.990 0.886 1.00 0.68 H new ATOM 0 HA GLN A 28 8.824 -2.337 1.514 1.00 0.66 H new ATOM 0 HB2 GLN A 28 10.459 -3.576 3.030 1.00 0.74 H new ATOM 0 HB3 GLN A 28 11.598 -2.273 2.755 1.00 0.74 H new ATOM 0 HG2 GLN A 28 8.936 -1.267 3.521 1.00 0.88 H new ATOM 0 HG3 GLN A 28 9.589 -2.363 4.723 1.00 0.88 H new ATOM 0 HE21 GLN A 28 9.074 0.348 5.291 1.00 2.11 H new ATOM 0 HE22 GLN A 28 10.618 1.149 5.598 1.00 2.11 H new ATOM 445 N GLN A 29 11.285 -0.621 0.204 1.00 0.67 N ATOM 446 CA GLN A 29 11.605 0.652 -0.429 1.00 0.68 C ATOM 447 C GLN A 29 10.419 1.210 -1.215 1.00 0.59 C ATOM 448 O GLN A 29 10.091 2.383 -1.117 1.00 0.57 O ATOM 449 CB GLN A 29 12.827 0.477 -1.338 1.00 0.82 C ATOM 450 CG GLN A 29 12.570 -0.301 -2.633 1.00 2.61 C ATOM 451 CD GLN A 29 13.863 -0.640 -3.360 1.00 3.62 C ATOM 452 OE1 GLN A 29 14.332 -1.771 -3.312 1.00 4.45 O ATOM 453 NE2 GLN A 29 14.450 0.343 -4.037 1.00 4.12 N ATOM 0 H GLN A 29 11.991 -1.341 0.049 1.00 0.67 H new ATOM 0 HA GLN A 29 11.836 1.376 0.353 1.00 0.68 H new ATOM 0 HB2 GLN A 29 13.212 1.463 -1.596 1.00 0.82 H new ATOM 0 HB3 GLN A 29 13.609 -0.033 -0.775 1.00 0.82 H new ATOM 0 HG2 GLN A 29 12.032 -1.220 -2.403 1.00 2.61 H new ATOM 0 HG3 GLN A 29 11.929 0.288 -3.289 1.00 2.61 H new ATOM 0 HE21 GLN A 29 14.030 1.272 -4.054 1.00 4.12 H new ATOM 0 HE22 GLN A 29 15.320 0.168 -4.539 1.00 4.12 H new ATOM 462 N SER A 30 9.773 0.354 -2.005 1.00 0.60 N ATOM 463 CA SER A 30 8.642 0.735 -2.836 1.00 0.61 C ATOM 464 C SER A 30 7.464 1.168 -1.964 1.00 0.51 C ATOM 465 O SER A 30 6.785 2.146 -2.272 1.00 0.53 O ATOM 466 CB SER A 30 8.251 -0.425 -3.752 1.00 0.72 C ATOM 467 OG SER A 30 9.290 -0.703 -4.670 1.00 1.02 O ATOM 0 H SER A 30 10.025 -0.631 -2.084 1.00 0.60 H new ATOM 0 HA SER A 30 8.928 1.582 -3.460 1.00 0.61 H new ATOM 0 HB2 SER A 30 8.038 -1.312 -3.155 1.00 0.72 H new ATOM 0 HB3 SER A 30 7.337 -0.178 -4.292 1.00 0.72 H new ATOM 0 HG SER A 30 9.025 -1.449 -5.248 1.00 1.02 H new ATOM 473 N ILE A 31 7.234 0.435 -0.873 1.00 0.49 N ATOM 474 CA ILE A 31 6.181 0.741 0.080 1.00 0.46 C ATOM 475 C ILE A 31 6.471 2.100 0.729 1.00 0.40 C ATOM 476 O ILE A 31 5.592 2.952 0.764 1.00 0.45 O ATOM 477 CB ILE A 31 6.060 -0.393 1.116 1.00 0.54 C ATOM 478 CG1 ILE A 31 5.902 -1.788 0.485 1.00 0.86 C ATOM 479 CG2 ILE A 31 4.923 -0.158 2.122 1.00 0.67 C ATOM 480 CD1 ILE A 31 4.713 -1.915 -0.476 1.00 0.84 C ATOM 0 H ILE A 31 7.780 -0.392 -0.630 1.00 0.49 H new ATOM 0 HA ILE A 31 5.218 0.811 -0.427 1.00 0.46 H new ATOM 0 HB ILE A 31 7.011 -0.371 1.648 1.00 0.54 H new ATOM 0 HG12 ILE A 31 6.817 -2.036 -0.053 1.00 0.86 H new ATOM 0 HG13 ILE A 31 5.791 -2.524 1.281 1.00 0.86 H new ATOM 0 HG21 ILE A 31 4.884 -0.988 2.828 1.00 0.67 H new ATOM 0 HG22 ILE A 31 5.102 0.771 2.663 1.00 0.67 H new ATOM 0 HG23 ILE A 31 3.974 -0.090 1.590 1.00 0.67 H new ATOM 0 HD11 ILE A 31 4.675 -2.928 -0.876 1.00 0.84 H new ATOM 0 HD12 ILE A 31 3.788 -1.701 0.059 1.00 0.84 H new ATOM 0 HD13 ILE A 31 4.830 -1.206 -1.296 1.00 0.84 H new ATOM 492 N GLU A 32 7.691 2.307 1.230 1.00 0.44 N ATOM 493 CA GLU A 32 8.148 3.564 1.816 1.00 0.45 C ATOM 494 C GLU A 32 7.981 4.718 0.821 1.00 0.47 C ATOM 495 O GLU A 32 7.304 5.701 1.109 1.00 0.50 O ATOM 496 CB GLU A 32 9.591 3.372 2.308 1.00 0.57 C ATOM 497 CG GLU A 32 10.259 4.659 2.827 1.00 0.76 C ATOM 498 CD GLU A 32 11.305 5.234 1.874 1.00 2.55 C ATOM 499 OE1 GLU A 32 11.994 4.435 1.204 1.00 3.71 O ATOM 500 OE2 GLU A 32 11.402 6.479 1.844 1.00 3.60 O ATOM 0 H GLU A 32 8.408 1.581 1.238 1.00 0.44 H new ATOM 0 HA GLU A 32 7.538 3.839 2.677 1.00 0.45 H new ATOM 0 HB2 GLU A 32 9.595 2.628 3.104 1.00 0.57 H new ATOM 0 HB3 GLU A 32 10.190 2.969 1.492 1.00 0.57 H new ATOM 0 HG2 GLU A 32 9.490 5.411 3.005 1.00 0.76 H new ATOM 0 HG3 GLU A 32 10.730 4.451 3.788 1.00 0.76 H new ATOM 507 N GLN A 33 8.549 4.579 -0.375 1.00 0.52 N ATOM 508 CA GLN A 33 8.380 5.521 -1.467 1.00 0.61 C ATOM 509 C GLN A 33 6.899 5.874 -1.660 1.00 0.58 C ATOM 510 O GLN A 33 6.536 7.052 -1.673 1.00 0.67 O ATOM 511 CB GLN A 33 9.065 4.961 -2.725 1.00 0.77 C ATOM 512 CG GLN A 33 8.423 5.459 -4.018 1.00 1.83 C ATOM 513 CD GLN A 33 9.374 5.487 -5.205 1.00 2.21 C ATOM 514 OE1 GLN A 33 9.885 6.545 -5.557 1.00 3.15 O ATOM 515 NE2 GLN A 33 9.596 4.348 -5.851 1.00 2.34 N ATOM 0 H GLN A 33 9.151 3.790 -0.612 1.00 0.52 H new ATOM 0 HA GLN A 33 8.868 6.468 -1.235 1.00 0.61 H new ATOM 0 HB2 GLN A 33 10.118 5.242 -2.716 1.00 0.77 H new ATOM 0 HB3 GLN A 33 9.025 3.872 -2.701 1.00 0.77 H new ATOM 0 HG2 GLN A 33 7.573 4.820 -4.260 1.00 1.83 H new ATOM 0 HG3 GLN A 33 8.031 6.463 -3.855 1.00 1.83 H new ATOM 0 HE21 GLN A 33 9.155 3.486 -5.531 1.00 2.34 H new ATOM 0 HE22 GLN A 33 10.208 4.335 -6.667 1.00 2.34 H new ATOM 524 N LEU A 34 6.037 4.874 -1.828 1.00 0.58 N ATOM 525 CA LEU A 34 4.618 5.132 -2.030 1.00 0.63 C ATOM 526 C LEU A 34 3.993 5.818 -0.800 1.00 0.61 C ATOM 527 O LEU A 34 3.235 6.772 -0.965 1.00 0.70 O ATOM 528 CB LEU A 34 3.905 3.839 -2.436 1.00 0.71 C ATOM 529 CG LEU A 34 2.444 4.069 -2.860 1.00 0.81 C ATOM 530 CD1 LEU A 34 2.330 4.868 -4.163 1.00 1.10 C ATOM 531 CD2 LEU A 34 1.781 2.709 -3.062 1.00 1.22 C ATOM 0 H LEU A 34 6.295 3.887 -1.828 1.00 0.58 H new ATOM 0 HA LEU A 34 4.492 5.837 -2.852 1.00 0.63 H new ATOM 0 HB2 LEU A 34 4.448 3.374 -3.259 1.00 0.71 H new ATOM 0 HB3 LEU A 34 3.930 3.139 -1.601 1.00 0.71 H new ATOM 0 HG LEU A 34 1.954 4.645 -2.075 1.00 0.81 H new ATOM 0 HD11 LEU A 34 1.278 5.002 -4.417 1.00 1.10 H new ATOM 0 HD12 LEU A 34 2.799 5.843 -4.034 1.00 1.10 H new ATOM 0 HD13 LEU A 34 2.831 4.328 -4.966 1.00 1.10 H new ATOM 0 HD21 LEU A 34 0.743 2.851 -3.363 1.00 1.22 H new ATOM 0 HD22 LEU A 34 2.312 2.157 -3.838 1.00 1.22 H new ATOM 0 HD23 LEU A 34 1.814 2.146 -2.129 1.00 1.22 H new ATOM 543 N GLU A 35 4.329 5.389 0.424 1.00 0.56 N ATOM 544 CA GLU A 35 3.931 6.048 1.673 1.00 0.59 C ATOM 545 C GLU A 35 4.362 7.520 1.678 1.00 0.65 C ATOM 546 O GLU A 35 3.621 8.374 2.154 1.00 0.87 O ATOM 547 CB GLU A 35 4.517 5.333 2.906 1.00 0.58 C ATOM 548 CG GLU A 35 3.756 4.069 3.327 1.00 0.80 C ATOM 549 CD GLU A 35 2.726 4.283 4.432 1.00 1.55 C ATOM 550 OE1 GLU A 35 3.106 4.669 5.566 1.00 2.61 O ATOM 551 OE2 GLU A 35 1.583 3.856 4.166 1.00 2.57 O ATOM 0 H GLU A 35 4.898 4.556 0.576 1.00 0.56 H new ATOM 0 HA GLU A 35 2.844 5.994 1.729 1.00 0.59 H new ATOM 0 HB2 GLU A 35 5.553 5.066 2.698 1.00 0.58 H new ATOM 0 HB3 GLU A 35 4.530 6.031 3.743 1.00 0.58 H new ATOM 0 HG2 GLU A 35 3.251 3.657 2.453 1.00 0.80 H new ATOM 0 HG3 GLU A 35 4.476 3.322 3.660 1.00 0.80 H new ATOM 558 N ASN A 36 5.530 7.844 1.119 1.00 0.62 N ATOM 559 CA ASN A 36 5.965 9.235 1.002 1.00 0.72 C ATOM 560 C ASN A 36 5.164 10.007 -0.055 1.00 0.73 C ATOM 561 O ASN A 36 5.353 11.213 -0.195 1.00 0.84 O ATOM 562 CB ASN A 36 7.446 9.324 0.635 1.00 1.11 C ATOM 563 CG ASN A 36 8.395 8.666 1.627 1.00 1.47 C ATOM 564 OD1 ASN A 36 8.215 8.755 2.837 1.00 2.90 O ATOM 565 ND2 ASN A 36 9.437 8.042 1.091 1.00 1.76 N ATOM 0 H ASN A 36 6.189 7.163 0.742 1.00 0.62 H new ATOM 0 HA ASN A 36 5.793 9.684 1.980 1.00 0.72 H new ATOM 0 HB2 ASN A 36 7.591 8.865 -0.343 1.00 1.11 H new ATOM 0 HB3 ASN A 36 7.718 10.375 0.537 1.00 1.11 H new ATOM 0 HD21 ASN A 36 10.136 7.607 1.693 1.00 1.76 H new ATOM 0 HD22 ASN A 36 9.538 7.997 0.077 1.00 1.76 H new ATOM 572 N GLY A 37 4.299 9.342 -0.826 1.00 0.84 N ATOM 573 CA GLY A 37 3.442 9.978 -1.813 1.00 1.28 C ATOM 574 C GLY A 37 4.238 10.612 -2.953 1.00 0.85 C ATOM 575 O GLY A 37 3.801 11.605 -3.530 1.00 1.09 O ATOM 0 H GLY A 37 4.178 8.330 -0.776 1.00 0.84 H new ATOM 0 HA2 GLY A 37 2.753 9.239 -2.222 1.00 1.28 H new ATOM 0 HA3 GLY A 37 2.837 10.743 -1.326 1.00 1.28 H new ATOM 579 N LYS A 38 5.396 10.030 -3.300 1.00 1.16 N ATOM 580 CA LYS A 38 6.248 10.534 -4.379 1.00 1.94 C ATOM 581 C LYS A 38 6.024 9.775 -5.697 1.00 1.85 C ATOM 582 O LYS A 38 6.335 10.290 -6.769 1.00 2.37 O ATOM 583 CB LYS A 38 7.719 10.568 -3.931 1.00 2.69 C ATOM 584 CG LYS A 38 8.325 9.172 -3.751 1.00 3.10 C ATOM 585 CD LYS A 38 9.825 9.144 -3.416 1.00 3.41 C ATOM 586 CE LYS A 38 10.180 9.801 -2.074 1.00 4.23 C ATOM 587 NZ LYS A 38 10.381 11.260 -2.179 1.00 4.68 N ATOM 0 H LYS A 38 5.765 9.198 -2.839 1.00 1.16 H new ATOM 0 HA LYS A 38 5.959 11.563 -4.594 1.00 1.94 H new ATOM 0 HB2 LYS A 38 8.304 11.119 -4.667 1.00 2.69 H new ATOM 0 HB3 LYS A 38 7.794 11.114 -2.991 1.00 2.69 H new ATOM 0 HG2 LYS A 38 7.783 8.658 -2.957 1.00 3.10 H new ATOM 0 HG3 LYS A 38 8.164 8.603 -4.667 1.00 3.10 H new ATOM 0 HD2 LYS A 38 10.164 8.108 -3.402 1.00 3.41 H new ATOM 0 HD3 LYS A 38 10.374 9.648 -4.212 1.00 3.41 H new ATOM 0 HE2 LYS A 38 9.384 9.601 -1.356 1.00 4.23 H new ATOM 0 HE3 LYS A 38 11.087 9.343 -1.680 1.00 4.23 H new ATOM 0 HZ1 LYS A 38 11.196 11.541 -1.598 1.00 4.68 H new ATOM 0 HZ2 LYS A 38 10.559 11.515 -3.171 1.00 4.68 H new ATOM 0 HZ3 LYS A 38 9.529 11.753 -1.842 1.00 4.68 H new ATOM 601 N THR A 39 5.437 8.575 -5.632 1.00 1.50 N ATOM 602 CA THR A 39 5.103 7.767 -6.803 1.00 1.62 C ATOM 603 C THR A 39 3.799 8.246 -7.440 1.00 1.62 C ATOM 604 O THR A 39 2.857 8.626 -6.751 1.00 1.58 O ATOM 605 CB THR A 39 4.955 6.311 -6.368 1.00 1.64 C ATOM 606 OG1 THR A 39 6.102 5.950 -5.644 1.00 3.07 O ATOM 607 CG2 THR A 39 4.776 5.299 -7.508 1.00 1.43 C ATOM 0 H THR A 39 5.178 8.134 -4.750 1.00 1.50 H new ATOM 0 HA THR A 39 5.899 7.863 -7.541 1.00 1.62 H new ATOM 0 HB THR A 39 4.038 6.268 -5.780 1.00 1.64 H new ATOM 0 HG1 THR A 39 6.601 5.268 -6.140 1.00 3.07 H new ATOM 0 HG21 THR A 39 4.680 4.296 -7.092 1.00 1.43 H new ATOM 0 HG22 THR A 39 3.878 5.544 -8.075 1.00 1.43 H new ATOM 0 HG23 THR A 39 5.643 5.337 -8.168 1.00 1.43 H new ATOM 615 N LYS A 40 3.774 8.236 -8.777 1.00 2.01 N ATOM 616 CA LYS A 40 2.612 8.574 -9.582 1.00 2.29 C ATOM 617 C LYS A 40 1.717 7.350 -9.783 1.00 1.98 C ATOM 618 O LYS A 40 0.538 7.401 -9.446 1.00 1.99 O ATOM 619 CB LYS A 40 3.082 9.183 -10.912 1.00 2.97 C ATOM 620 CG LYS A 40 3.609 10.614 -10.715 1.00 3.13 C ATOM 621 CD LYS A 40 2.463 11.611 -10.449 1.00 3.12 C ATOM 622 CE LYS A 40 2.450 12.202 -9.029 1.00 4.40 C ATOM 623 NZ LYS A 40 3.610 13.079 -8.763 1.00 5.83 N ATOM 0 H LYS A 40 4.588 7.984 -9.338 1.00 2.01 H new ATOM 0 HA LYS A 40 2.005 9.317 -9.065 1.00 2.29 H new ATOM 0 HB2 LYS A 40 3.866 8.560 -11.343 1.00 2.97 H new ATOM 0 HB3 LYS A 40 2.256 9.192 -11.623 1.00 2.97 H new ATOM 0 HG2 LYS A 40 4.309 10.632 -9.880 1.00 3.13 H new ATOM 0 HG3 LYS A 40 4.162 10.923 -11.602 1.00 3.13 H new ATOM 0 HD2 LYS A 40 2.534 12.427 -11.168 1.00 3.12 H new ATOM 0 HD3 LYS A 40 1.512 11.109 -10.629 1.00 3.12 H new ATOM 0 HE2 LYS A 40 1.531 12.770 -8.885 1.00 4.40 H new ATOM 0 HE3 LYS A 40 2.440 11.390 -8.302 1.00 4.40 H new ATOM 0 HZ1 LYS A 40 3.550 13.449 -7.793 1.00 5.83 H new ATOM 0 HZ2 LYS A 40 4.489 12.534 -8.872 1.00 5.83 H new ATOM 0 HZ3 LYS A 40 3.608 13.871 -9.437 1.00 5.83 H new ATOM 637 N ARG A 41 2.249 6.261 -10.354 1.00 1.79 N ATOM 638 CA ARG A 41 1.451 5.072 -10.644 1.00 1.48 C ATOM 639 C ARG A 41 2.318 3.812 -10.509 1.00 1.27 C ATOM 640 O ARG A 41 3.049 3.487 -11.444 1.00 1.45 O ATOM 641 CB ARG A 41 0.796 5.226 -12.035 1.00 1.58 C ATOM 642 CG ARG A 41 -0.598 4.581 -12.112 1.00 1.28 C ATOM 643 CD ARG A 41 -0.574 3.157 -12.689 1.00 2.21 C ATOM 644 NE ARG A 41 -0.809 3.156 -14.143 1.00 2.74 N ATOM 645 CZ ARG A 41 -2.014 3.314 -14.724 1.00 2.68 C ATOM 646 NH1 ARG A 41 -3.101 3.512 -13.968 1.00 3.00 N ATOM 647 NH2 ARG A 41 -2.129 3.282 -16.057 1.00 3.34 N ATOM 0 H ARG A 41 3.230 6.183 -10.623 1.00 1.79 H new ATOM 0 HA ARG A 41 0.642 4.963 -9.921 1.00 1.48 H new ATOM 0 HB2 ARG A 41 0.715 6.285 -12.278 1.00 1.58 H new ATOM 0 HB3 ARG A 41 1.442 4.775 -12.788 1.00 1.58 H new ATOM 0 HG2 ARG A 41 -1.035 4.554 -11.114 1.00 1.28 H new ATOM 0 HG3 ARG A 41 -1.247 5.205 -12.727 1.00 1.28 H new ATOM 0 HD2 ARG A 41 0.389 2.694 -12.475 1.00 2.21 H new ATOM 0 HD3 ARG A 41 -1.335 2.552 -12.197 1.00 2.21 H new ATOM 0 HE ARG A 41 -0.002 3.026 -14.753 1.00 2.74 H new ATOM 0 HH11 ARG A 41 -3.017 3.543 -12.952 1.00 3.00 H new ATOM 0 HH12 ARG A 41 -4.013 3.632 -14.408 1.00 3.00 H new ATOM 0 HH21 ARG A 41 -1.302 3.138 -16.637 1.00 3.34 H new ATOM 0 HH22 ARG A 41 -3.043 3.402 -16.493 1.00 3.34 H new ATOM 661 N PRO A 42 2.296 3.117 -9.359 1.00 1.01 N ATOM 662 CA PRO A 42 3.113 1.933 -9.156 1.00 0.96 C ATOM 663 C PRO A 42 2.585 0.753 -9.971 1.00 0.86 C ATOM 664 O PRO A 42 1.400 0.686 -10.297 1.00 0.83 O ATOM 665 CB PRO A 42 3.079 1.637 -7.656 1.00 0.85 C ATOM 666 CG PRO A 42 1.851 2.375 -7.123 1.00 0.74 C ATOM 667 CD PRO A 42 1.507 3.432 -8.178 1.00 0.92 C ATOM 0 HA PRO A 42 4.136 2.099 -9.494 1.00 0.96 H new ATOM 0 HB2 PRO A 42 3.005 0.566 -7.469 1.00 0.85 H new ATOM 0 HB3 PRO A 42 3.989 1.984 -7.167 1.00 0.85 H new ATOM 0 HG2 PRO A 42 1.018 1.689 -6.971 1.00 0.74 H new ATOM 0 HG3 PRO A 42 2.061 2.839 -6.159 1.00 0.74 H new ATOM 0 HD2 PRO A 42 0.442 3.416 -8.409 1.00 0.92 H new ATOM 0 HD3 PRO A 42 1.739 4.433 -7.813 1.00 0.92 H new ATOM 675 N ARG A 43 3.472 -0.200 -10.279 1.00 0.90 N ATOM 676 CA ARG A 43 3.095 -1.422 -10.978 1.00 0.86 C ATOM 677 C ARG A 43 2.301 -2.326 -10.038 1.00 0.72 C ATOM 678 O ARG A 43 1.312 -2.932 -10.438 1.00 0.65 O ATOM 679 CB ARG A 43 4.340 -2.149 -11.504 1.00 1.07 C ATOM 680 CG ARG A 43 3.970 -3.104 -12.649 1.00 2.31 C ATOM 681 CD ARG A 43 3.932 -2.362 -13.991 1.00 3.09 C ATOM 682 NE ARG A 43 5.297 -2.090 -14.473 1.00 3.52 N ATOM 683 CZ ARG A 43 5.653 -1.157 -15.372 1.00 4.60 C ATOM 684 NH1 ARG A 43 4.735 -0.332 -15.888 1.00 5.39 N ATOM 685 NH2 ARG A 43 6.932 -1.057 -15.752 1.00 5.57 N ATOM 0 H ARG A 43 4.464 -0.142 -10.050 1.00 0.90 H new ATOM 0 HA ARG A 43 2.470 -1.164 -11.833 1.00 0.86 H new ATOM 0 HB2 ARG A 43 5.072 -1.421 -11.854 1.00 1.07 H new ATOM 0 HB3 ARG A 43 4.809 -2.709 -10.695 1.00 1.07 H new ATOM 0 HG2 ARG A 43 4.695 -3.916 -12.699 1.00 2.31 H new ATOM 0 HG3 ARG A 43 2.998 -3.556 -12.451 1.00 2.31 H new ATOM 0 HD2 ARG A 43 3.393 -2.958 -14.727 1.00 3.09 H new ATOM 0 HD3 ARG A 43 3.387 -1.425 -13.879 1.00 3.09 H new ATOM 0 HE ARG A 43 6.045 -2.666 -14.087 1.00 3.52 H new ATOM 0 HH11 ARG A 43 3.760 -0.410 -15.599 1.00 5.39 H new ATOM 0 HH12 ARG A 43 5.010 0.375 -16.570 1.00 5.39 H new ATOM 0 HH21 ARG A 43 7.631 -1.687 -15.360 1.00 5.57 H new ATOM 0 HH22 ARG A 43 7.208 -0.351 -16.434 1.00 5.57 H new ATOM 699 N PHE A 44 2.705 -2.364 -8.768 1.00 0.71 N ATOM 700 CA PHE A 44 2.100 -3.197 -7.740 1.00 0.56 C ATOM 701 C PHE A 44 0.835 -2.553 -7.163 1.00 0.47 C ATOM 702 O PHE A 44 0.465 -2.853 -6.034 1.00 0.35 O ATOM 703 CB PHE A 44 3.146 -3.494 -6.652 1.00 0.53 C ATOM 704 CG PHE A 44 3.832 -2.261 -6.089 1.00 0.51 C ATOM 705 CD1 PHE A 44 3.232 -1.537 -5.042 1.00 1.69 C ATOM 706 CD2 PHE A 44 5.025 -1.787 -6.666 1.00 1.99 C ATOM 707 CE1 PHE A 44 3.791 -0.325 -4.606 1.00 1.62 C ATOM 708 CE2 PHE A 44 5.555 -0.546 -6.267 1.00 2.11 C ATOM 709 CZ PHE A 44 4.931 0.190 -5.244 1.00 0.75 C ATOM 0 H PHE A 44 3.482 -1.801 -8.422 1.00 0.71 H new ATOM 0 HA PHE A 44 1.781 -4.140 -8.185 1.00 0.56 H new ATOM 0 HB2 PHE A 44 2.662 -4.030 -5.836 1.00 0.53 H new ATOM 0 HB3 PHE A 44 3.904 -4.160 -7.065 1.00 0.53 H new ATOM 0 HD1 PHE A 44 2.337 -1.916 -4.571 1.00 1.69 H new ATOM 0 HD2 PHE A 44 5.534 -2.376 -7.415 1.00 1.99 H new ATOM 0 HE1 PHE A 44 3.345 0.210 -3.781 1.00 1.62 H new ATOM 0 HE2 PHE A 44 6.442 -0.159 -6.747 1.00 2.11 H new ATOM 0 HZ PHE A 44 5.328 1.150 -4.949 1.00 0.75 H new ATOM 719 N LEU A 45 0.117 -1.724 -7.931 1.00 0.62 N ATOM 720 CA LEU A 45 -1.193 -1.236 -7.516 1.00 0.69 C ATOM 721 C LEU A 45 -2.146 -2.373 -7.134 1.00 0.59 C ATOM 722 O LEU A 45 -2.643 -2.373 -6.007 1.00 0.52 O ATOM 723 CB LEU A 45 -1.844 -0.337 -8.584 1.00 0.99 C ATOM 724 CG LEU A 45 -1.654 1.149 -8.275 1.00 1.30 C ATOM 725 CD1 LEU A 45 -2.266 2.007 -9.385 1.00 2.68 C ATOM 726 CD2 LEU A 45 -2.236 1.534 -6.904 1.00 1.46 C ATOM 0 H LEU A 45 0.425 -1.381 -8.841 1.00 0.62 H new ATOM 0 HA LEU A 45 -1.014 -0.633 -6.626 1.00 0.69 H new ATOM 0 HB2 LEU A 45 -1.413 -0.562 -9.559 1.00 0.99 H new ATOM 0 HB3 LEU A 45 -2.909 -0.561 -8.647 1.00 0.99 H new ATOM 0 HG LEU A 45 -0.582 1.340 -8.232 1.00 1.30 H new ATOM 0 HD11 LEU A 45 -2.123 3.062 -9.150 1.00 2.68 H new ATOM 0 HD12 LEU A 45 -1.780 1.777 -10.333 1.00 2.68 H new ATOM 0 HD13 LEU A 45 -3.332 1.794 -9.463 1.00 2.68 H new ATOM 0 HD21 LEU A 45 -2.078 2.598 -6.727 1.00 1.46 H new ATOM 0 HD22 LEU A 45 -3.304 1.318 -6.889 1.00 1.46 H new ATOM 0 HD23 LEU A 45 -1.739 0.959 -6.123 1.00 1.46 H new ATOM 738 N PRO A 46 -2.447 -3.325 -8.034 1.00 0.64 N ATOM 739 CA PRO A 46 -3.412 -4.364 -7.732 1.00 0.62 C ATOM 740 C PRO A 46 -2.899 -5.234 -6.589 1.00 0.52 C ATOM 741 O PRO A 46 -3.679 -5.654 -5.741 1.00 0.52 O ATOM 742 CB PRO A 46 -3.633 -5.143 -9.031 1.00 0.77 C ATOM 743 CG PRO A 46 -2.402 -4.846 -9.887 1.00 0.89 C ATOM 744 CD PRO A 46 -1.842 -3.533 -9.343 1.00 0.76 C ATOM 0 HA PRO A 46 -4.365 -3.961 -7.390 1.00 0.62 H new ATOM 0 HB2 PRO A 46 -3.731 -6.211 -8.838 1.00 0.77 H new ATOM 0 HB3 PRO A 46 -4.547 -4.824 -9.531 1.00 0.77 H new ATOM 0 HG2 PRO A 46 -1.668 -5.648 -9.812 1.00 0.89 H new ATOM 0 HG3 PRO A 46 -2.668 -4.754 -10.940 1.00 0.89 H new ATOM 0 HD2 PRO A 46 -0.756 -3.580 -9.263 1.00 0.76 H new ATOM 0 HD3 PRO A 46 -2.077 -2.706 -10.013 1.00 0.76 H new ATOM 752 N GLU A 47 -1.590 -5.484 -6.539 1.00 0.49 N ATOM 753 CA GLU A 47 -0.996 -6.307 -5.504 1.00 0.49 C ATOM 754 C GLU A 47 -1.126 -5.618 -4.143 1.00 0.38 C ATOM 755 O GLU A 47 -1.514 -6.251 -3.162 1.00 0.51 O ATOM 756 CB GLU A 47 0.449 -6.631 -5.888 1.00 0.56 C ATOM 757 CG GLU A 47 0.519 -7.210 -7.307 1.00 0.69 C ATOM 758 CD GLU A 47 1.795 -8.007 -7.522 1.00 1.65 C ATOM 759 OE1 GLU A 47 2.840 -7.342 -7.683 1.00 2.21 O ATOM 760 OE2 GLU A 47 1.682 -9.251 -7.541 1.00 3.10 O ATOM 0 H GLU A 47 -0.920 -5.119 -7.216 1.00 0.49 H new ATOM 0 HA GLU A 47 -1.525 -7.256 -5.415 1.00 0.49 H new ATOM 0 HB2 GLU A 47 1.057 -5.728 -5.828 1.00 0.56 H new ATOM 0 HB3 GLU A 47 0.867 -7.345 -5.178 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -0.345 -7.851 -7.482 1.00 0.69 H new ATOM 0 HG3 GLU A 47 0.468 -6.400 -8.034 1.00 0.69 H new ATOM 767 N LEU A 48 -0.864 -4.308 -4.089 1.00 0.32 N ATOM 768 CA LEU A 48 -1.062 -3.510 -2.890 1.00 0.42 C ATOM 769 C LEU A 48 -2.530 -3.555 -2.499 1.00 0.45 C ATOM 770 O LEU A 48 -2.843 -3.848 -1.353 1.00 0.53 O ATOM 771 CB LEU A 48 -0.575 -2.067 -3.096 1.00 0.59 C ATOM 772 CG LEU A 48 -0.356 -1.305 -1.777 1.00 0.74 C ATOM 773 CD1 LEU A 48 0.940 -1.758 -1.102 1.00 1.58 C ATOM 774 CD2 LEU A 48 -0.204 0.191 -2.039 1.00 1.84 C ATOM 0 H LEU A 48 -0.507 -3.776 -4.883 1.00 0.32 H new ATOM 0 HA LEU A 48 -0.468 -3.928 -2.077 1.00 0.42 H new ATOM 0 HB2 LEU A 48 0.359 -2.083 -3.658 1.00 0.59 H new ATOM 0 HB3 LEU A 48 -1.303 -1.528 -3.702 1.00 0.59 H new ATOM 0 HG LEU A 48 -1.221 -1.508 -1.145 1.00 0.74 H new ATOM 0 HD11 LEU A 48 1.077 -1.208 -0.171 1.00 1.58 H new ATOM 0 HD12 LEU A 48 0.885 -2.825 -0.888 1.00 1.58 H new ATOM 0 HD13 LEU A 48 1.783 -1.564 -1.765 1.00 1.58 H new ATOM 0 HD21 LEU A 48 -0.050 0.712 -1.094 1.00 1.84 H new ATOM 0 HD22 LEU A 48 0.653 0.361 -2.691 1.00 1.84 H new ATOM 0 HD23 LEU A 48 -1.106 0.570 -2.519 1.00 1.84 H new ATOM 786 N ALA A 49 -3.432 -3.285 -3.445 1.00 0.45 N ATOM 787 CA ALA A 49 -4.869 -3.291 -3.204 1.00 0.53 C ATOM 788 C ALA A 49 -5.337 -4.645 -2.663 1.00 0.53 C ATOM 789 O ALA A 49 -6.135 -4.703 -1.729 1.00 0.61 O ATOM 790 CB ALA A 49 -5.603 -2.904 -4.488 1.00 0.57 C ATOM 0 H ALA A 49 -3.180 -3.055 -4.406 1.00 0.45 H new ATOM 0 HA ALA A 49 -5.105 -2.553 -2.437 1.00 0.53 H new ATOM 0 HB1 ALA A 49 -6.678 -2.908 -4.308 1.00 0.57 H new ATOM 0 HB2 ALA A 49 -5.291 -1.907 -4.799 1.00 0.57 H new ATOM 0 HB3 ALA A 49 -5.364 -3.620 -5.274 1.00 0.57 H new ATOM 796 N SER A 50 -4.805 -5.735 -3.221 1.00 0.54 N ATOM 797 CA SER A 50 -5.068 -7.093 -2.772 1.00 0.63 C ATOM 798 C SER A 50 -4.572 -7.287 -1.340 1.00 0.72 C ATOM 799 O SER A 50 -5.355 -7.643 -0.464 1.00 0.86 O ATOM 800 CB SER A 50 -4.416 -8.108 -3.719 1.00 0.85 C ATOM 801 OG SER A 50 -4.947 -7.973 -5.020 1.00 1.47 O ATOM 0 H SER A 50 -4.166 -5.691 -4.015 1.00 0.54 H new ATOM 0 HA SER A 50 -6.145 -7.261 -2.785 1.00 0.63 H new ATOM 0 HB2 SER A 50 -3.337 -7.955 -3.741 1.00 0.85 H new ATOM 0 HB3 SER A 50 -4.587 -9.120 -3.352 1.00 0.85 H new ATOM 0 HG SER A 50 -4.515 -7.219 -5.473 1.00 1.47 H new ATOM 807 N ALA A 51 -3.280 -7.044 -1.089 1.00 0.72 N ATOM 808 CA ALA A 51 -2.694 -7.171 0.242 1.00 0.93 C ATOM 809 C ALA A 51 -3.418 -6.277 1.254 1.00 1.03 C ATOM 810 O ALA A 51 -3.549 -6.636 2.420 1.00 1.39 O ATOM 811 CB ALA A 51 -1.197 -6.852 0.183 1.00 0.90 C ATOM 0 H ALA A 51 -2.615 -6.754 -1.806 1.00 0.72 H new ATOM 0 HA ALA A 51 -2.815 -8.200 0.581 1.00 0.93 H new ATOM 0 HB1 ALA A 51 -0.765 -6.948 1.179 1.00 0.90 H new ATOM 0 HB2 ALA A 51 -0.703 -7.548 -0.496 1.00 0.90 H new ATOM 0 HB3 ALA A 51 -1.056 -5.833 -0.177 1.00 0.90 H new ATOM 817 N LEU A 52 -3.909 -5.124 0.798 1.00 0.88 N ATOM 818 CA LEU A 52 -4.722 -4.204 1.571 1.00 1.19 C ATOM 819 C LEU A 52 -6.133 -4.767 1.805 1.00 1.07 C ATOM 820 O LEU A 52 -6.679 -4.615 2.896 1.00 1.29 O ATOM 821 CB LEU A 52 -4.774 -2.837 0.872 1.00 1.37 C ATOM 822 CG LEU A 52 -3.548 -1.906 1.019 1.00 2.00 C ATOM 823 CD1 LEU A 52 -3.902 -0.591 1.725 1.00 2.82 C ATOM 824 CD2 LEU A 52 -2.314 -2.502 1.706 1.00 1.86 C ATOM 0 H LEU A 52 -3.742 -4.800 -0.155 1.00 0.88 H new ATOM 0 HA LEU A 52 -4.263 -4.074 2.551 1.00 1.19 H new ATOM 0 HB2 LEU A 52 -4.937 -3.010 -0.192 1.00 1.37 H new ATOM 0 HB3 LEU A 52 -5.647 -2.303 1.246 1.00 1.37 H new ATOM 0 HG LEU A 52 -3.269 -1.735 -0.021 1.00 2.00 H new ATOM 0 HD11 LEU A 52 -3.010 0.030 1.806 1.00 2.82 H new ATOM 0 HD12 LEU A 52 -4.662 -0.062 1.150 1.00 2.82 H new ATOM 0 HD13 LEU A 52 -4.286 -0.805 2.722 1.00 2.82 H new ATOM 0 HD21 LEU A 52 -1.524 -1.753 1.748 1.00 1.86 H new ATOM 0 HD22 LEU A 52 -2.575 -2.812 2.718 1.00 1.86 H new ATOM 0 HD23 LEU A 52 -1.965 -3.366 1.141 1.00 1.86 H new ATOM 836 N GLY A 53 -6.738 -5.395 0.798 1.00 0.80 N ATOM 837 CA GLY A 53 -8.092 -5.934 0.849 1.00 0.75 C ATOM 838 C GLY A 53 -9.128 -4.872 0.473 1.00 0.72 C ATOM 839 O GLY A 53 -10.177 -4.783 1.106 1.00 0.96 O ATOM 0 H GLY A 53 -6.284 -5.546 -0.103 1.00 0.80 H new ATOM 0 HA2 GLY A 53 -8.174 -6.782 0.169 1.00 0.75 H new ATOM 0 HA3 GLY A 53 -8.299 -6.308 1.852 1.00 0.75 H new ATOM 843 N VAL A 54 -8.815 -4.047 -0.531 1.00 0.62 N ATOM 844 CA VAL A 54 -9.631 -2.934 -1.027 1.00 0.69 C ATOM 845 C VAL A 54 -9.362 -2.795 -2.523 1.00 0.47 C ATOM 846 O VAL A 54 -8.573 -3.554 -3.083 1.00 0.42 O ATOM 847 CB VAL A 54 -9.310 -1.607 -0.297 1.00 0.94 C ATOM 848 CG1 VAL A 54 -10.025 -1.510 1.054 1.00 1.54 C ATOM 849 CG2 VAL A 54 -7.800 -1.360 -0.195 1.00 1.03 C ATOM 0 H VAL A 54 -7.940 -4.142 -1.047 1.00 0.62 H new ATOM 0 HA VAL A 54 -10.683 -3.146 -0.836 1.00 0.69 H new ATOM 0 HB VAL A 54 -9.708 -0.797 -0.908 1.00 0.94 H new ATOM 0 HG11 VAL A 54 -9.772 -0.564 1.532 1.00 1.54 H new ATOM 0 HG12 VAL A 54 -11.103 -1.562 0.900 1.00 1.54 H new ATOM 0 HG13 VAL A 54 -9.710 -2.335 1.693 1.00 1.54 H new ATOM 0 HG21 VAL A 54 -7.620 -0.419 0.324 1.00 1.03 H new ATOM 0 HG22 VAL A 54 -7.335 -2.175 0.359 1.00 1.03 H new ATOM 0 HG23 VAL A 54 -7.371 -1.311 -1.196 1.00 1.03 H new ATOM 859 N SER A 55 -9.992 -1.813 -3.166 1.00 0.48 N ATOM 860 CA SER A 55 -9.847 -1.534 -4.578 1.00 0.53 C ATOM 861 C SER A 55 -8.754 -0.486 -4.837 1.00 0.48 C ATOM 862 O SER A 55 -8.414 0.336 -3.980 1.00 0.45 O ATOM 863 CB SER A 55 -11.221 -1.081 -5.071 1.00 0.75 C ATOM 864 OG SER A 55 -11.761 -0.152 -4.155 1.00 0.79 O ATOM 0 H SER A 55 -10.635 -1.175 -2.697 1.00 0.48 H new ATOM 0 HA SER A 55 -9.523 -2.420 -5.125 1.00 0.53 H new ATOM 0 HB2 SER A 55 -11.135 -0.628 -6.059 1.00 0.75 H new ATOM 0 HB3 SER A 55 -11.886 -1.939 -5.171 1.00 0.75 H new ATOM 0 HG SER A 55 -11.826 0.728 -4.581 1.00 0.79 H new ATOM 870 N VAL A 56 -8.183 -0.533 -6.043 1.00 0.62 N ATOM 871 CA VAL A 56 -7.092 0.337 -6.460 1.00 0.76 C ATOM 872 C VAL A 56 -7.531 1.796 -6.499 1.00 0.85 C ATOM 873 O VAL A 56 -6.844 2.674 -5.977 1.00 0.91 O ATOM 874 CB VAL A 56 -6.567 -0.140 -7.825 1.00 0.98 C ATOM 875 CG1 VAL A 56 -5.656 0.905 -8.472 1.00 1.26 C ATOM 876 CG2 VAL A 56 -5.783 -1.447 -7.676 1.00 0.97 C ATOM 0 H VAL A 56 -8.475 -1.190 -6.767 1.00 0.62 H new ATOM 0 HA VAL A 56 -6.283 0.279 -5.732 1.00 0.76 H new ATOM 0 HB VAL A 56 -7.437 -0.299 -8.463 1.00 0.98 H new ATOM 0 HG11 VAL A 56 -5.304 0.534 -9.435 1.00 1.26 H new ATOM 0 HG12 VAL A 56 -6.212 1.830 -8.621 1.00 1.26 H new ATOM 0 HG13 VAL A 56 -4.802 1.096 -7.822 1.00 1.26 H new ATOM 0 HG21 VAL A 56 -5.420 -1.767 -8.653 1.00 0.97 H new ATOM 0 HG22 VAL A 56 -4.936 -1.289 -7.008 1.00 0.97 H new ATOM 0 HG23 VAL A 56 -6.434 -2.216 -7.261 1.00 0.97 H new ATOM 886 N ASP A 57 -8.682 2.045 -7.120 1.00 0.95 N ATOM 887 CA ASP A 57 -9.367 3.329 -7.077 1.00 0.99 C ATOM 888 C ASP A 57 -9.360 3.902 -5.653 1.00 0.77 C ATOM 889 O ASP A 57 -9.060 5.083 -5.462 1.00 0.87 O ATOM 890 CB ASP A 57 -10.790 3.166 -7.633 1.00 1.16 C ATOM 891 CG ASP A 57 -11.511 1.936 -7.089 1.00 1.51 C ATOM 892 OD1 ASP A 57 -11.606 1.818 -5.849 1.00 2.78 O ATOM 893 OD2 ASP A 57 -11.856 1.066 -7.913 1.00 2.57 O ATOM 0 H ASP A 57 -9.172 1.345 -7.677 1.00 0.95 H new ATOM 0 HA ASP A 57 -8.840 4.048 -7.704 1.00 0.99 H new ATOM 0 HB2 ASP A 57 -11.371 4.056 -7.392 1.00 1.16 H new ATOM 0 HB3 ASP A 57 -10.743 3.100 -8.720 1.00 1.16 H new ATOM 898 N TRP A 58 -9.640 3.070 -4.647 1.00 0.55 N ATOM 899 CA TRP A 58 -9.732 3.530 -3.274 1.00 0.41 C ATOM 900 C TRP A 58 -8.351 3.851 -2.723 1.00 0.60 C ATOM 901 O TRP A 58 -8.165 4.880 -2.066 1.00 0.77 O ATOM 902 CB TRP A 58 -10.504 2.563 -2.363 1.00 0.51 C ATOM 903 CG TRP A 58 -10.494 2.925 -0.899 1.00 0.59 C ATOM 904 CD1 TRP A 58 -11.421 3.660 -0.238 1.00 0.74 C ATOM 905 CD2 TRP A 58 -9.479 2.601 0.103 1.00 0.62 C ATOM 906 NE1 TRP A 58 -11.011 3.881 1.049 1.00 0.82 N ATOM 907 CE2 TRP A 58 -9.876 3.160 1.354 1.00 0.80 C ATOM 908 CE3 TRP A 58 -8.246 1.913 0.077 1.00 0.58 C ATOM 909 CZ2 TRP A 58 -9.138 2.970 2.531 1.00 0.96 C ATOM 910 CZ3 TRP A 58 -7.464 1.775 1.239 1.00 0.72 C ATOM 911 CH2 TRP A 58 -7.955 2.214 2.478 1.00 0.93 C ATOM 0 H TRP A 58 -9.806 2.071 -4.767 1.00 0.55 H new ATOM 0 HA TRP A 58 -10.318 4.449 -3.285 1.00 0.41 H new ATOM 0 HB2 TRP A 58 -11.538 2.514 -2.703 1.00 0.51 H new ATOM 0 HB3 TRP A 58 -10.083 1.564 -2.478 1.00 0.51 H new ATOM 0 HD1 TRP A 58 -12.347 4.018 -0.664 1.00 0.74 H new ATOM 0 HE1 TRP A 58 -11.487 4.503 1.703 1.00 0.82 H new ATOM 0 HE3 TRP A 58 -7.897 1.485 -0.851 1.00 0.58 H new ATOM 0 HZ2 TRP A 58 -9.474 3.398 3.464 1.00 0.96 H new ATOM 0 HZ3 TRP A 58 -6.482 1.329 1.177 1.00 0.72 H new ATOM 0 HH2 TRP A 58 -7.425 1.972 3.388 1.00 0.93 H new ATOM 922 N LEU A 59 -7.382 2.978 -3.001 1.00 0.71 N ATOM 923 CA LEU A 59 -5.988 3.236 -2.676 1.00 0.99 C ATOM 924 C LEU A 59 -5.560 4.600 -3.214 1.00 1.29 C ATOM 925 O LEU A 59 -4.955 5.392 -2.492 1.00 1.68 O ATOM 926 CB LEU A 59 -5.107 2.123 -3.251 1.00 0.90 C ATOM 927 CG LEU A 59 -4.609 1.161 -2.170 1.00 0.87 C ATOM 928 CD1 LEU A 59 -3.798 0.076 -2.876 1.00 0.85 C ATOM 929 CD2 LEU A 59 -3.737 1.896 -1.149 1.00 0.97 C ATOM 0 H LEU A 59 -7.545 2.079 -3.455 1.00 0.71 H new ATOM 0 HA LEU A 59 -5.871 3.249 -1.592 1.00 0.99 H new ATOM 0 HB2 LEU A 59 -5.671 1.566 -3.999 1.00 0.90 H new ATOM 0 HB3 LEU A 59 -4.252 2.566 -3.762 1.00 0.90 H new ATOM 0 HG LEU A 59 -5.449 0.729 -1.626 1.00 0.87 H new ATOM 0 HD11 LEU A 59 -3.422 -0.634 -2.140 1.00 0.85 H new ATOM 0 HD12 LEU A 59 -4.433 -0.445 -3.592 1.00 0.85 H new ATOM 0 HD13 LEU A 59 -2.959 0.533 -3.401 1.00 0.85 H new ATOM 0 HD21 LEU A 59 -3.394 1.193 -0.390 1.00 0.97 H new ATOM 0 HD22 LEU A 59 -2.876 2.333 -1.654 1.00 0.97 H new ATOM 0 HD23 LEU A 59 -4.319 2.686 -0.675 1.00 0.97 H new ATOM 941 N LEU A 60 -5.926 4.895 -4.462 1.00 1.21 N ATOM 942 CA LEU A 60 -5.710 6.205 -5.049 1.00 1.44 C ATOM 943 C LEU A 60 -6.472 7.279 -4.267 1.00 1.50 C ATOM 944 O LEU A 60 -5.856 8.267 -3.883 1.00 1.62 O ATOM 945 CB LEU A 60 -6.063 6.200 -6.550 1.00 1.50 C ATOM 946 CG LEU A 60 -4.955 5.706 -7.504 1.00 1.73 C ATOM 947 CD1 LEU A 60 -4.219 6.881 -8.160 1.00 3.56 C ATOM 948 CD2 LEU A 60 -3.927 4.767 -6.868 1.00 2.26 C ATOM 0 H LEU A 60 -6.379 4.229 -5.088 1.00 1.21 H new ATOM 0 HA LEU A 60 -4.651 6.452 -4.978 1.00 1.44 H new ATOM 0 HB2 LEU A 60 -6.944 5.575 -6.694 1.00 1.50 H new ATOM 0 HB3 LEU A 60 -6.340 7.213 -6.841 1.00 1.50 H new ATOM 0 HG LEU A 60 -5.491 5.122 -8.253 1.00 1.73 H new ATOM 0 HD11 LEU A 60 -3.445 6.499 -8.826 1.00 3.56 H new ATOM 0 HD12 LEU A 60 -4.927 7.480 -8.733 1.00 3.56 H new ATOM 0 HD13 LEU A 60 -3.761 7.500 -7.388 1.00 3.56 H new ATOM 0 HD21 LEU A 60 -3.190 4.474 -7.616 1.00 2.26 H new ATOM 0 HD22 LEU A 60 -3.426 5.279 -6.046 1.00 2.26 H new ATOM 0 HD23 LEU A 60 -4.432 3.878 -6.489 1.00 2.26 H new ATOM 960 N ASN A 61 -7.797 7.198 -4.104 1.00 1.34 N ATOM 961 CA ASN A 61 -8.537 8.347 -3.569 1.00 1.32 C ATOM 962 C ASN A 61 -9.906 8.037 -2.978 1.00 1.19 C ATOM 963 O ASN A 61 -10.816 8.846 -3.112 1.00 2.38 O ATOM 964 CB ASN A 61 -8.597 9.515 -4.571 1.00 2.41 C ATOM 965 CG ASN A 61 -9.420 9.268 -5.839 1.00 2.22 C ATOM 966 OD1 ASN A 61 -10.332 10.026 -6.149 1.00 2.56 O ATOM 967 ND2 ASN A 61 -9.079 8.252 -6.626 1.00 2.38 N ATOM 0 H ASN A 61 -8.364 6.379 -4.326 1.00 1.34 H new ATOM 0 HA ASN A 61 -7.943 8.659 -2.710 1.00 1.32 H new ATOM 0 HB2 ASN A 61 -9.006 10.386 -4.060 1.00 2.41 H new ATOM 0 HB3 ASN A 61 -7.579 9.768 -4.866 1.00 2.41 H new ATOM 0 HD21 ASN A 61 -9.579 8.095 -7.501 1.00 2.38 H new ATOM 0 HD22 ASN A 61 -8.318 7.630 -6.354 1.00 2.38 H new ATOM 974 N GLY A 62 -10.087 6.890 -2.334 1.00 1.03 N ATOM 975 CA GLY A 62 -11.434 6.445 -2.014 1.00 2.46 C ATOM 976 C GLY A 62 -11.953 6.957 -0.685 1.00 2.05 C ATOM 977 O GLY A 62 -13.100 7.378 -0.587 1.00 3.58 O ATOM 0 H GLY A 62 -9.339 6.267 -2.031 1.00 1.03 H new ATOM 0 HA2 GLY A 62 -12.110 6.769 -2.805 1.00 2.46 H new ATOM 0 HA3 GLY A 62 -11.453 5.355 -2.004 1.00 2.46 H new ATOM 981 N THR A 63 -11.086 6.942 0.326 1.00 1.15 N ATOM 982 CA THR A 63 -11.364 7.502 1.644 1.00 1.80 C ATOM 983 C THR A 63 -12.463 6.730 2.389 1.00 2.95 C ATOM 984 O THR A 63 -13.640 6.902 2.098 1.00 3.74 O ATOM 985 CB THR A 63 -11.654 9.009 1.542 1.00 2.13 C ATOM 986 OG1 THR A 63 -12.998 9.331 1.284 1.00 3.01 O ATOM 987 CG2 THR A 63 -10.825 9.669 0.440 1.00 2.31 C ATOM 0 H THR A 63 -10.155 6.533 0.249 1.00 1.15 H new ATOM 0 HA THR A 63 -10.468 7.385 2.253 1.00 1.80 H new ATOM 0 HB THR A 63 -11.389 9.385 2.530 1.00 2.13 H new ATOM 0 HG1 THR A 63 -13.375 8.681 0.655 1.00 3.01 H new ATOM 0 HG21 THR A 63 -11.057 10.733 0.398 1.00 2.31 H new ATOM 0 HG22 THR A 63 -9.764 9.537 0.654 1.00 2.31 H new ATOM 0 HG23 THR A 63 -11.062 9.208 -0.519 1.00 2.31 H new ATOM 995 N SER A 64 -12.072 5.872 3.344 1.00 3.67 N ATOM 996 CA SER A 64 -12.956 4.913 4.007 1.00 4.89 C ATOM 997 C SER A 64 -13.469 3.854 3.028 1.00 4.91 C ATOM 998 O SER A 64 -13.953 4.175 1.947 1.00 4.43 O ATOM 999 CB SER A 64 -14.106 5.600 4.760 1.00 5.70 C ATOM 1000 OG SER A 64 -13.605 6.192 5.942 1.00 7.54 O ATOM 0 H SER A 64 -11.110 5.828 3.681 1.00 3.67 H new ATOM 0 HA SER A 64 -12.357 4.400 4.760 1.00 4.89 H new ATOM 0 HB2 SER A 64 -14.568 6.358 4.128 1.00 5.70 H new ATOM 0 HB3 SER A 64 -14.881 4.873 5.004 1.00 5.70 H new ATOM 0 HG SER A 64 -14.337 6.632 6.423 1.00 7.54 H new ATOM 1006 N ASP A 65 -13.334 2.579 3.390 1.00 6.49 N ATOM 1007 CA ASP A 65 -13.943 1.490 2.643 1.00 7.50 C ATOM 1008 C ASP A 65 -15.272 1.136 3.303 1.00 8.01 C ATOM 1009 O ASP A 65 -15.314 0.561 4.389 1.00 8.79 O ATOM 1010 CB ASP A 65 -12.981 0.306 2.436 1.00 9.05 C ATOM 1011 CG ASP A 65 -12.111 -0.105 3.616 1.00 10.19 C ATOM 1012 OD1 ASP A 65 -11.007 0.468 3.781 1.00 10.63 O ATOM 1013 OD2 ASP A 65 -12.407 -1.142 4.241 1.00 11.15 O ATOM 0 H ASP A 65 -12.801 2.277 4.206 1.00 6.49 H new ATOM 0 HA ASP A 65 -14.160 1.807 1.623 1.00 7.50 H new ATOM 0 HB2 ASP A 65 -13.572 -0.559 2.136 1.00 9.05 H new ATOM 0 HB3 ASP A 65 -12.323 0.548 1.601 1.00 9.05 H new ATOM 1018 N SER A 66 -16.370 1.546 2.658 1.00 8.17 N ATOM 1019 CA SER A 66 -17.721 1.218 3.079 1.00 9.22 C ATOM 1020 C SER A 66 -17.915 -0.293 2.996 1.00 10.40 C ATOM 1021 O SER A 66 -18.439 -0.793 2.004 1.00 11.10 O ATOM 1022 CB SER A 66 -18.754 1.949 2.208 1.00 9.52 C ATOM 1023 OG SER A 66 -20.057 1.470 2.485 1.00 10.49 O ATOM 0 H SER A 66 -16.336 2.123 1.818 1.00 8.17 H new ATOM 0 HA SER A 66 -17.868 1.544 4.109 1.00 9.22 H new ATOM 0 HB2 SER A 66 -18.706 3.021 2.397 1.00 9.52 H new ATOM 0 HB3 SER A 66 -18.521 1.800 1.154 1.00 9.52 H new ATOM 0 HG SER A 66 -20.706 1.945 1.925 1.00 10.49 H new ATOM 1029 N ASN A 67 -17.537 -0.999 4.062 1.00 11.02 N ATOM 1030 CA ASN A 67 -17.678 -2.445 4.187 1.00 12.53 C ATOM 1031 C ASN A 67 -19.101 -2.923 3.865 1.00 13.47 C ATOM 1032 O ASN A 67 -19.275 -4.039 3.392 1.00 14.63 O ATOM 1033 CB ASN A 67 -17.245 -2.882 5.594 1.00 13.18 C ATOM 1034 CG ASN A 67 -16.645 -4.284 5.588 1.00 14.89 C ATOM 1035 OD1 ASN A 67 -17.352 -5.275 5.477 1.00 15.92 O ATOM 1036 ND2 ASN A 67 -15.324 -4.385 5.717 1.00 15.52 N ATOM 0 H ASN A 67 -17.113 -0.567 4.883 1.00 11.02 H new ATOM 0 HA ASN A 67 -17.027 -2.915 3.450 1.00 12.53 H new ATOM 0 HB2 ASN A 67 -16.514 -2.175 5.986 1.00 13.18 H new ATOM 0 HB3 ASN A 67 -18.104 -2.857 6.264 1.00 13.18 H new ATOM 0 HD21 ASN A 67 -14.881 -5.304 5.725 1.00 15.52 H new ATOM 0 HD22 ASN A 67 -14.755 -3.544 5.808 1.00 15.52 H new ATOM 1043 N VAL A 68 -20.106 -2.064 4.103 1.00 13.27 N ATOM 1044 CA VAL A 68 -21.521 -2.304 3.822 1.00 14.41 C ATOM 1045 C VAL A 68 -21.978 -3.659 4.379 1.00 15.74 C ATOM 1046 O VAL A 68 -22.629 -4.433 3.688 1.00 16.41 O ATOM 1047 CB VAL A 68 -21.873 -2.023 2.340 1.00 14.76 C ATOM 1048 CG1 VAL A 68 -21.145 -2.908 1.318 1.00 15.74 C ATOM 1049 CG2 VAL A 68 -23.385 -2.090 2.073 1.00 15.63 C ATOM 0 H VAL A 68 -19.942 -1.145 4.514 1.00 13.27 H new ATOM 0 HA VAL A 68 -22.121 -1.575 4.367 1.00 14.41 H new ATOM 0 HB VAL A 68 -21.514 -1.005 2.191 1.00 14.76 H new ATOM 0 HG11 VAL A 68 -21.459 -2.634 0.311 1.00 15.74 H new ATOM 0 HG12 VAL A 68 -20.069 -2.765 1.414 1.00 15.74 H new ATOM 0 HG13 VAL A 68 -21.390 -3.954 1.503 1.00 15.74 H new ATOM 0 HG21 VAL A 68 -23.578 -1.886 1.020 1.00 15.63 H new ATOM 0 HG22 VAL A 68 -23.755 -3.084 2.323 1.00 15.63 H new ATOM 0 HG23 VAL A 68 -23.896 -1.348 2.686 1.00 15.63 H new ATOM 1059 N ARG A 69 -21.661 -3.863 5.663 1.00 16.36 N ATOM 1060 CA ARG A 69 -21.911 -5.043 6.485 1.00 17.82 C ATOM 1061 C ARG A 69 -21.482 -6.364 5.829 1.00 18.71 C ATOM 1062 O ARG A 69 -20.517 -6.939 6.324 1.00 19.32 O ATOM 1063 CB ARG A 69 -23.309 -5.022 7.140 1.00 18.85 C ATOM 1064 CG ARG A 69 -24.498 -5.413 6.248 1.00 19.77 C ATOM 1065 CD ARG A 69 -24.795 -6.920 6.316 1.00 21.51 C ATOM 1066 NE ARG A 69 -25.893 -7.227 7.242 1.00 22.73 N ATOM 1067 CZ ARG A 69 -27.196 -7.131 6.937 1.00 23.65 C ATOM 1068 NH1 ARG A 69 -27.565 -6.708 5.724 1.00 23.49 N ATOM 1069 NH2 ARG A 69 -28.120 -7.451 7.851 1.00 24.88 N ATOM 0 H ARG A 69 -21.180 -3.139 6.197 1.00 16.36 H new ATOM 0 HA ARG A 69 -21.229 -4.986 7.333 1.00 17.82 H new ATOM 0 HB2 ARG A 69 -23.292 -5.694 7.998 1.00 18.85 H new ATOM 0 HB3 ARG A 69 -23.489 -4.018 7.525 1.00 18.85 H new ATOM 0 HG2 ARG A 69 -25.382 -4.855 6.556 1.00 19.77 H new ATOM 0 HG3 ARG A 69 -24.286 -5.131 5.217 1.00 19.77 H new ATOM 0 HD2 ARG A 69 -25.049 -7.284 5.320 1.00 21.51 H new ATOM 0 HD3 ARG A 69 -23.897 -7.452 6.630 1.00 21.51 H new ATOM 0 HE ARG A 69 -25.648 -7.535 8.183 1.00 22.73 H new ATOM 0 HH11 ARG A 69 -26.857 -6.459 5.033 1.00 23.49 H new ATOM 0 HH12 ARG A 69 -28.555 -6.634 5.489 1.00 23.49 H new ATOM 0 HH21 ARG A 69 -27.833 -7.767 8.777 1.00 24.88 H new ATOM 0 HH22 ARG A 69 -29.111 -7.379 7.621 1.00 24.88 H new TER 1083 ARG A 69