USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 42:sc= 1.18 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 1.07 USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.0996 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -121:sc= 0.686 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0821 USER MOD Single : A 14 LYS NZ :NH3+ -105:sc= 1.21 (180deg=-0.039) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00992) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -160:sc= -0.746 USER MOD Single : A 46 MET CE :methyl 153:sc= -0.0555 (180deg=-0.95) USER MOD Single : A 47 ASN : amide:sc= -2 K(o=-2,f=-7.5!) USER MOD Single : A 55 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.11) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.73 F(o=-3.1!,f=-1.7) USER MOD Single : A 69 GLN : amide:sc= -0.0594 K(o=-0.059,f=-1.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= -0.288 (180deg=-0.515) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.901 -3.169 9.150 1.00 0.00 N ATOM 2 CA ALA A 1 -6.763 -4.194 8.124 1.00 71.14 C ATOM 3 C ALA A 1 -6.331 -5.524 8.730 1.00 34.34 C ATOM 4 O ALA A 1 -6.168 -5.640 9.946 1.00 52.31 O ATOM 5 CB ALA A 1 -5.769 -3.748 7.063 1.00 4.32 C ATOM 0 H1 ALA A 1 -7.883 -2.828 9.170 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.655 -3.571 10.077 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.263 -2.376 8.936 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.737 -4.338 7.657 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.676 -4.524 6.303 1.00 4.32 H new ATOM 0 HB2 ALA A 1 -6.121 -2.826 6.600 1.00 4.32 H new ATOM 0 HB3 ALA A 1 -4.797 -3.574 7.525 1.00 4.32 H new ATOM 11 N LYS A 2 -6.148 -6.527 7.878 1.00 75.43 N ATOM 12 CA LYS A 2 -5.734 -7.850 8.331 1.00 53.45 C ATOM 13 C LYS A 2 -4.317 -8.165 7.863 1.00 21.31 C ATOM 14 O LYS A 2 -3.782 -7.501 6.976 1.00 53.33 O ATOM 15 CB LYS A 2 -6.703 -8.915 7.812 1.00 42.24 C ATOM 16 CG LYS A 2 -7.049 -8.758 6.341 1.00 40.30 C ATOM 17 CD LYS A 2 -8.482 -8.291 6.151 1.00 60.34 C ATOM 18 CE LYS A 2 -9.476 -9.376 6.537 1.00 75.02 C ATOM 19 NZ LYS A 2 -10.834 -9.102 5.990 1.00 63.44 N ATOM 0 H LYS A 2 -6.280 -6.449 6.870 1.00 75.43 H new ATOM 0 HA LYS A 2 -5.748 -7.855 9.421 1.00 53.45 H new ATOM 0 HB2 LYS A 2 -6.265 -9.901 7.970 1.00 42.24 H new ATOM 0 HB3 LYS A 2 -7.621 -8.876 8.399 1.00 42.24 H new ATOM 0 HG2 LYS A 2 -6.368 -8.042 5.881 1.00 40.30 H new ATOM 0 HG3 LYS A 2 -6.905 -9.709 5.829 1.00 40.30 H new ATOM 0 HD2 LYS A 2 -8.659 -7.401 6.755 1.00 60.34 H new ATOM 0 HD3 LYS A 2 -8.638 -8.006 5.111 1.00 60.34 H new ATOM 0 HE2 LYS A 2 -9.123 -10.340 6.169 1.00 75.02 H new ATOM 0 HE3 LYS A 2 -9.530 -9.450 7.623 1.00 75.02 H new ATOM 0 HZ1 LYS A 2 -11.483 -9.863 6.274 1.00 63.44 H new ATOM 0 HZ2 LYS A 2 -11.181 -8.195 6.361 1.00 63.44 H new ATOM 0 HZ3 LYS A 2 -10.787 -9.057 4.952 1.00 63.44 H new ATOM 33 N LYS A 3 -3.714 -9.185 8.465 1.00 43.31 N ATOM 34 CA LYS A 3 -2.359 -9.591 8.109 1.00 20.55 C ATOM 35 C LYS A 3 -2.283 -10.002 6.642 1.00 3.13 C ATOM 36 O LYS A 3 -1.225 -9.914 6.019 1.00 51.02 O ATOM 37 CB LYS A 3 -1.902 -10.749 8.999 1.00 65.34 C ATOM 38 CG LYS A 3 -2.848 -11.939 8.983 1.00 10.33 C ATOM 39 CD LYS A 3 -3.730 -11.966 10.220 1.00 44.23 C ATOM 40 CE LYS A 3 -4.109 -13.389 10.602 1.00 63.31 C ATOM 41 NZ LYS A 3 -5.023 -13.423 11.776 1.00 71.20 N ATOM 0 H LYS A 3 -4.142 -9.746 9.202 1.00 43.31 H new ATOM 0 HA LYS A 3 -1.697 -8.739 8.264 1.00 20.55 H new ATOM 0 HB2 LYS A 3 -0.914 -11.077 8.676 1.00 65.34 H new ATOM 0 HB3 LYS A 3 -1.800 -10.391 10.023 1.00 65.34 H new ATOM 0 HG2 LYS A 3 -3.472 -11.897 8.091 1.00 10.33 H new ATOM 0 HG3 LYS A 3 -2.272 -12.862 8.925 1.00 10.33 H new ATOM 0 HD2 LYS A 3 -3.208 -11.492 11.051 1.00 44.23 H new ATOM 0 HD3 LYS A 3 -4.633 -11.384 10.037 1.00 44.23 H new ATOM 0 HE2 LYS A 3 -4.589 -13.877 9.754 1.00 63.31 H new ATOM 0 HE3 LYS A 3 -3.207 -13.957 10.828 1.00 63.31 H new ATOM 0 HZ1 LYS A 3 -5.258 -14.410 12.005 1.00 71.20 H new ATOM 0 HZ2 LYS A 3 -4.556 -12.980 12.593 1.00 71.20 H new ATOM 0 HZ3 LYS A 3 -5.895 -12.903 11.552 1.00 71.20 H new ATOM 55 N GLU A 4 -3.409 -10.450 6.098 1.00 52.50 N ATOM 56 CA GLU A 4 -3.468 -10.872 4.703 1.00 24.54 C ATOM 57 C GLU A 4 -3.414 -9.669 3.766 1.00 33.25 C ATOM 58 O GLU A 4 -2.634 -9.643 2.813 1.00 55.23 O ATOM 59 CB GLU A 4 -4.744 -11.677 4.444 1.00 2.43 C ATOM 60 CG GLU A 4 -4.614 -12.671 3.302 1.00 61.31 C ATOM 61 CD GLU A 4 -3.997 -13.985 3.741 1.00 42.42 C ATOM 62 OE1 GLU A 4 -2.829 -13.974 4.183 1.00 4.51 O ATOM 63 OE2 GLU A 4 -4.682 -15.025 3.641 1.00 12.11 O ATOM 0 H GLU A 4 -4.293 -10.530 6.601 1.00 52.50 H new ATOM 0 HA GLU A 4 -2.602 -11.503 4.505 1.00 24.54 H new ATOM 0 HB2 GLU A 4 -5.016 -12.214 5.353 1.00 2.43 H new ATOM 0 HB3 GLU A 4 -5.560 -10.988 4.224 1.00 2.43 H new ATOM 0 HG2 GLU A 4 -5.599 -12.861 2.876 1.00 61.31 H new ATOM 0 HG3 GLU A 4 -4.004 -12.233 2.512 1.00 61.31 H new ATOM 70 N THR A 5 -4.248 -8.671 4.045 1.00 51.23 N ATOM 71 CA THR A 5 -4.297 -7.466 3.228 1.00 13.52 C ATOM 72 C THR A 5 -2.936 -6.779 3.177 1.00 70.44 C ATOM 73 O THR A 5 -2.544 -6.236 2.145 1.00 40.21 O ATOM 74 CB THR A 5 -5.343 -6.468 3.762 1.00 5.33 C ATOM 75 OG1 THR A 5 -6.636 -7.080 3.785 1.00 72.14 O ATOM 76 CG2 THR A 5 -5.384 -5.215 2.900 1.00 33.10 C ATOM 0 H THR A 5 -4.898 -8.675 4.831 1.00 51.23 H new ATOM 0 HA THR A 5 -4.581 -7.777 2.223 1.00 13.52 H new ATOM 0 HB THR A 5 -5.058 -6.184 4.775 1.00 5.33 H new ATOM 0 HG1 THR A 5 -7.254 -6.559 3.231 1.00 72.14 H new ATOM 0 HG21 THR A 5 -6.129 -4.525 3.296 1.00 33.10 H new ATOM 0 HG22 THR A 5 -4.405 -4.736 2.908 1.00 33.10 H new ATOM 0 HG23 THR A 5 -5.647 -5.485 1.877 1.00 33.10 H new ATOM 84 N ILE A 6 -2.221 -6.810 4.296 1.00 33.31 N ATOM 85 CA ILE A 6 -0.903 -6.193 4.378 1.00 74.13 C ATOM 86 C ILE A 6 0.096 -6.911 3.478 1.00 64.21 C ATOM 87 O ILE A 6 0.949 -6.281 2.852 1.00 34.23 O ATOM 88 CB ILE A 6 -0.370 -6.193 5.822 1.00 33.42 C ATOM 89 CG1 ILE A 6 -1.337 -5.451 6.746 1.00 13.11 C ATOM 90 CG2 ILE A 6 1.013 -5.561 5.876 1.00 1.22 C ATOM 91 CD1 ILE A 6 -1.132 -5.762 8.213 1.00 52.21 C ATOM 0 H ILE A 6 -2.532 -7.256 5.159 1.00 33.31 H new ATOM 0 HA ILE A 6 -1.015 -5.162 4.042 1.00 74.13 H new ATOM 0 HB ILE A 6 -0.290 -7.225 6.164 1.00 33.42 H new ATOM 0 HG12 ILE A 6 -1.223 -4.378 6.591 1.00 13.11 H new ATOM 0 HG13 ILE A 6 -2.360 -5.706 6.468 1.00 13.11 H new ATOM 0 HG21 ILE A 6 1.376 -5.568 6.904 1.00 1.22 H new ATOM 0 HG22 ILE A 6 1.697 -6.128 5.245 1.00 1.22 H new ATOM 0 HG23 ILE A 6 0.957 -4.533 5.518 1.00 1.22 H new ATOM 0 HD11 ILE A 6 -1.852 -5.201 8.808 1.00 52.21 H new ATOM 0 HD12 ILE A 6 -1.275 -6.829 8.382 1.00 52.21 H new ATOM 0 HD13 ILE A 6 -0.121 -5.480 8.507 1.00 52.21 H new ATOM 103 N ASP A 7 -0.014 -8.234 3.418 1.00 54.05 N ATOM 104 CA ASP A 7 0.878 -9.040 2.593 1.00 51.32 C ATOM 105 C ASP A 7 0.673 -8.733 1.113 1.00 45.22 C ATOM 106 O ASP A 7 1.608 -8.813 0.315 1.00 20.42 O ATOM 107 CB ASP A 7 0.646 -10.528 2.856 1.00 51.41 C ATOM 108 CG ASP A 7 1.523 -11.412 1.991 1.00 40.11 C ATOM 109 OD1 ASP A 7 1.096 -11.755 0.868 1.00 21.03 O ATOM 110 OD2 ASP A 7 2.636 -11.762 2.436 1.00 33.02 O ATOM 0 H ASP A 7 -0.713 -8.771 3.931 1.00 54.05 H new ATOM 0 HA ASP A 7 1.905 -8.789 2.859 1.00 51.32 H new ATOM 0 HB2 ASP A 7 0.842 -10.743 3.906 1.00 51.41 H new ATOM 0 HB3 ASP A 7 -0.401 -10.768 2.671 1.00 51.41 H new ATOM 115 N LYS A 8 -0.557 -8.383 0.750 1.00 24.10 N ATOM 116 CA LYS A 8 -0.886 -8.065 -0.634 1.00 71.52 C ATOM 117 C LYS A 8 -0.280 -6.726 -1.044 1.00 20.40 C ATOM 118 O LYS A 8 0.369 -6.619 -2.084 1.00 23.41 O ATOM 119 CB LYS A 8 -2.404 -8.029 -0.823 1.00 63.11 C ATOM 120 CG LYS A 8 -3.115 -9.250 -0.265 1.00 34.42 C ATOM 121 CD LYS A 8 -4.323 -9.625 -1.107 1.00 11.24 C ATOM 122 CE LYS A 8 -3.912 -10.349 -2.379 1.00 43.14 C ATOM 123 NZ LYS A 8 -3.586 -11.780 -2.123 1.00 53.22 N ATOM 0 H LYS A 8 -1.343 -8.313 1.396 1.00 24.10 H new ATOM 0 HA LYS A 8 -0.465 -8.844 -1.270 1.00 71.52 H new ATOM 0 HB2 LYS A 8 -2.801 -7.136 -0.341 1.00 63.11 H new ATOM 0 HB3 LYS A 8 -2.628 -7.943 -1.886 1.00 63.11 H new ATOM 0 HG2 LYS A 8 -2.422 -10.090 -0.227 1.00 34.42 H new ATOM 0 HG3 LYS A 8 -3.432 -9.052 0.759 1.00 34.42 H new ATOM 0 HD2 LYS A 8 -4.991 -10.260 -0.525 1.00 11.24 H new ATOM 0 HD3 LYS A 8 -4.882 -8.725 -1.364 1.00 11.24 H new ATOM 0 HE2 LYS A 8 -4.718 -10.285 -3.110 1.00 43.14 H new ATOM 0 HE3 LYS A 8 -3.046 -9.852 -2.816 1.00 43.14 H new ATOM 0 HZ1 LYS A 8 -3.311 -12.238 -3.015 1.00 53.22 H new ATOM 0 HZ2 LYS A 8 -2.800 -11.841 -1.445 1.00 53.22 H new ATOM 0 HZ3 LYS A 8 -4.420 -12.261 -1.730 1.00 53.22 H new ATOM 137 N VAL A 9 -0.495 -5.707 -0.218 1.00 72.41 N ATOM 138 CA VAL A 9 0.032 -4.376 -0.493 1.00 23.41 C ATOM 139 C VAL A 9 1.557 -4.384 -0.520 1.00 55.40 C ATOM 140 O VAL A 9 2.173 -3.877 -1.458 1.00 71.04 O ATOM 141 CB VAL A 9 -0.446 -3.356 0.557 1.00 31.02 C ATOM 142 CG1 VAL A 9 0.030 -1.957 0.197 1.00 1.04 C ATOM 143 CG2 VAL A 9 -1.961 -3.394 0.687 1.00 51.04 C ATOM 0 H VAL A 9 -1.031 -5.778 0.647 1.00 72.41 H new ATOM 0 HA VAL A 9 -0.345 -4.082 -1.473 1.00 23.41 H new ATOM 0 HB VAL A 9 -0.015 -3.625 1.521 1.00 31.02 H new ATOM 0 HG11 VAL A 9 -0.317 -1.250 0.950 1.00 1.04 H new ATOM 0 HG12 VAL A 9 1.119 -1.942 0.159 1.00 1.04 H new ATOM 0 HG13 VAL A 9 -0.371 -1.676 -0.777 1.00 1.04 H new ATOM 0 HG21 VAL A 9 -2.280 -2.667 1.433 1.00 51.04 H new ATOM 0 HG22 VAL A 9 -2.415 -3.151 -0.274 1.00 51.04 H new ATOM 0 HG23 VAL A 9 -2.275 -4.391 0.995 1.00 51.04 H new ATOM 153 N SER A 10 2.158 -4.963 0.514 1.00 3.53 N ATOM 154 CA SER A 10 3.612 -5.033 0.609 1.00 31.21 C ATOM 155 C SER A 10 4.202 -5.751 -0.601 1.00 52.31 C ATOM 156 O SER A 10 5.289 -5.410 -1.069 1.00 62.13 O ATOM 157 CB SER A 10 4.025 -5.754 1.895 1.00 55.41 C ATOM 158 OG SER A 10 5.330 -6.296 1.778 1.00 75.33 O ATOM 0 H SER A 10 1.662 -5.390 1.297 1.00 3.53 H new ATOM 0 HA SER A 10 4.000 -4.015 0.630 1.00 31.21 H new ATOM 0 HB2 SER A 10 3.990 -5.058 2.733 1.00 55.41 H new ATOM 0 HB3 SER A 10 3.315 -6.551 2.113 1.00 55.41 H new ATOM 0 HG SER A 10 5.572 -6.750 2.612 1.00 75.33 H new ATOM 164 N ASP A 11 3.478 -6.744 -1.103 1.00 54.43 N ATOM 165 CA ASP A 11 3.926 -7.509 -2.260 1.00 4.00 C ATOM 166 C ASP A 11 4.103 -6.605 -3.475 1.00 51.34 C ATOM 167 O ASP A 11 5.074 -6.731 -4.221 1.00 25.42 O ATOM 168 CB ASP A 11 2.930 -8.625 -2.579 1.00 14.02 C ATOM 169 CG ASP A 11 3.338 -9.955 -1.977 1.00 61.24 C ATOM 170 OD1 ASP A 11 3.901 -9.954 -0.862 1.00 61.40 O ATOM 171 OD2 ASP A 11 3.094 -10.997 -2.621 1.00 20.11 O ATOM 0 H ASP A 11 2.577 -7.039 -0.726 1.00 54.43 H new ATOM 0 HA ASP A 11 4.891 -7.954 -2.018 1.00 4.00 H new ATOM 0 HB2 ASP A 11 1.945 -8.347 -2.204 1.00 14.02 H new ATOM 0 HB3 ASP A 11 2.841 -8.731 -3.660 1.00 14.02 H new ATOM 176 N ILE A 12 3.155 -5.693 -3.670 1.00 2.22 N ATOM 177 CA ILE A 12 3.206 -4.768 -4.795 1.00 31.24 C ATOM 178 C ILE A 12 4.196 -3.638 -4.533 1.00 3.00 C ATOM 179 O ILE A 12 5.021 -3.311 -5.386 1.00 13.22 O ATOM 180 CB ILE A 12 1.821 -4.163 -5.089 1.00 52.10 C ATOM 181 CG1 ILE A 12 0.811 -5.271 -5.393 1.00 41.25 C ATOM 182 CG2 ILE A 12 1.906 -3.184 -6.250 1.00 11.43 C ATOM 183 CD1 ILE A 12 -0.489 -5.130 -4.633 1.00 54.45 C ATOM 0 H ILE A 12 2.343 -5.576 -3.064 1.00 2.22 H new ATOM 0 HA ILE A 12 3.534 -5.342 -5.661 1.00 31.24 H new ATOM 0 HB ILE A 12 1.483 -3.621 -4.206 1.00 52.10 H new ATOM 0 HG12 ILE A 12 0.599 -5.274 -6.462 1.00 41.25 H new ATOM 0 HG13 ILE A 12 1.259 -6.235 -5.154 1.00 41.25 H new ATOM 0 HG21 ILE A 12 0.919 -2.765 -6.446 1.00 11.43 H new ATOM 0 HG22 ILE A 12 2.598 -2.380 -5.998 1.00 11.43 H new ATOM 0 HG23 ILE A 12 2.262 -3.704 -7.139 1.00 11.43 H new ATOM 0 HD11 ILE A 12 -1.156 -5.950 -4.898 1.00 54.45 H new ATOM 0 HD12 ILE A 12 -0.289 -5.157 -3.562 1.00 54.45 H new ATOM 0 HD13 ILE A 12 -0.960 -4.181 -4.890 1.00 54.45 H new ATOM 195 N VAL A 13 4.110 -3.045 -3.346 1.00 72.13 N ATOM 196 CA VAL A 13 4.999 -1.954 -2.969 1.00 44.33 C ATOM 197 C VAL A 13 6.461 -2.346 -3.158 1.00 51.31 C ATOM 198 O VAL A 13 7.193 -1.709 -3.915 1.00 42.41 O ATOM 199 CB VAL A 13 4.778 -1.529 -1.506 1.00 4.14 C ATOM 200 CG1 VAL A 13 5.751 -0.425 -1.118 1.00 33.52 C ATOM 201 CG2 VAL A 13 3.339 -1.082 -1.292 1.00 4.51 C ATOM 0 H VAL A 13 3.432 -3.303 -2.629 1.00 72.13 H new ATOM 0 HA VAL A 13 4.763 -1.114 -3.622 1.00 44.33 H new ATOM 0 HB VAL A 13 4.966 -2.389 -0.864 1.00 4.14 H new ATOM 0 HG11 VAL A 13 5.580 -0.137 -0.081 1.00 33.52 H new ATOM 0 HG12 VAL A 13 6.774 -0.785 -1.231 1.00 33.52 H new ATOM 0 HG13 VAL A 13 5.597 0.439 -1.764 1.00 33.52 H new ATOM 0 HG21 VAL A 13 3.201 -0.785 -0.252 1.00 4.51 H new ATOM 0 HG22 VAL A 13 3.120 -0.236 -1.943 1.00 4.51 H new ATOM 0 HG23 VAL A 13 2.664 -1.905 -1.527 1.00 4.51 H new ATOM 211 N LYS A 14 6.879 -3.399 -2.464 1.00 43.34 N ATOM 212 CA LYS A 14 8.252 -3.879 -2.556 1.00 23.10 C ATOM 213 C LYS A 14 8.647 -4.127 -4.009 1.00 12.33 C ATOM 214 O LYS A 14 9.809 -3.967 -4.381 1.00 75.03 O ATOM 215 CB LYS A 14 8.419 -5.166 -1.745 1.00 2.11 C ATOM 216 CG LYS A 14 7.792 -6.384 -2.401 1.00 70.32 C ATOM 217 CD LYS A 14 7.452 -7.455 -1.377 1.00 54.41 C ATOM 218 CE LYS A 14 8.706 -8.093 -0.800 1.00 34.03 C ATOM 219 NZ LYS A 14 9.076 -9.341 -1.521 1.00 61.45 N ATOM 0 H LYS A 14 6.286 -3.936 -1.831 1.00 43.34 H new ATOM 0 HA LYS A 14 8.907 -3.110 -2.146 1.00 23.10 H new ATOM 0 HB2 LYS A 14 9.482 -5.353 -1.591 1.00 2.11 H new ATOM 0 HB3 LYS A 14 7.974 -5.025 -0.760 1.00 2.11 H new ATOM 0 HG2 LYS A 14 6.888 -6.087 -2.933 1.00 70.32 H new ATOM 0 HG3 LYS A 14 8.478 -6.793 -3.143 1.00 70.32 H new ATOM 0 HD2 LYS A 14 6.863 -7.016 -0.572 1.00 54.41 H new ATOM 0 HD3 LYS A 14 6.834 -8.222 -1.843 1.00 54.41 H new ATOM 0 HE2 LYS A 14 9.532 -7.384 -0.854 1.00 34.03 H new ATOM 0 HE3 LYS A 14 8.547 -8.317 0.255 1.00 34.03 H new ATOM 0 HZ1 LYS A 14 8.830 -10.165 -0.937 1.00 61.45 H new ATOM 0 HZ2 LYS A 14 8.558 -9.388 -2.422 1.00 61.45 H new ATOM 0 HZ3 LYS A 14 10.099 -9.343 -1.709 1.00 61.45 H new ATOM 233 N GLU A 15 7.672 -4.516 -4.824 1.00 32.22 N ATOM 234 CA GLU A 15 7.920 -4.784 -6.236 1.00 75.22 C ATOM 235 C GLU A 15 8.220 -3.492 -6.991 1.00 71.53 C ATOM 236 O GLU A 15 8.983 -3.487 -7.957 1.00 72.32 O ATOM 237 CB GLU A 15 6.713 -5.485 -6.863 1.00 72.11 C ATOM 238 CG GLU A 15 7.052 -6.277 -8.115 1.00 54.44 C ATOM 239 CD GLU A 15 5.889 -6.362 -9.085 1.00 34.44 C ATOM 240 OE1 GLU A 15 4.862 -6.977 -8.728 1.00 12.30 O ATOM 241 OE2 GLU A 15 6.005 -5.813 -10.200 1.00 52.52 O ATOM 0 H GLU A 15 6.704 -4.653 -4.532 1.00 32.22 H new ATOM 0 HA GLU A 15 8.790 -5.437 -6.309 1.00 75.22 H new ATOM 0 HB2 GLU A 15 6.271 -6.156 -6.127 1.00 72.11 H new ATOM 0 HB3 GLU A 15 5.957 -4.739 -7.109 1.00 72.11 H new ATOM 0 HG2 GLU A 15 7.903 -5.814 -8.614 1.00 54.44 H new ATOM 0 HG3 GLU A 15 7.358 -7.284 -7.832 1.00 54.44 H new ATOM 248 N LYS A 16 7.614 -2.398 -6.543 1.00 32.40 N ATOM 249 CA LYS A 16 7.815 -1.100 -7.174 1.00 14.53 C ATOM 250 C LYS A 16 9.100 -0.445 -6.674 1.00 54.22 C ATOM 251 O LYS A 16 9.674 0.412 -7.346 1.00 51.25 O ATOM 252 CB LYS A 16 6.621 -0.183 -6.894 1.00 42.01 C ATOM 253 CG LYS A 16 5.299 -0.734 -7.398 1.00 43.11 C ATOM 254 CD LYS A 16 5.218 -0.687 -8.915 1.00 14.21 C ATOM 255 CE LYS A 16 5.207 0.744 -9.428 1.00 12.44 C ATOM 256 NZ LYS A 16 6.394 1.039 -10.278 1.00 62.23 N ATOM 0 H LYS A 16 6.979 -2.385 -5.745 1.00 32.40 H new ATOM 0 HA LYS A 16 7.901 -1.256 -8.249 1.00 14.53 H new ATOM 0 HB2 LYS A 16 6.548 -0.013 -5.820 1.00 42.01 H new ATOM 0 HB3 LYS A 16 6.802 0.786 -7.358 1.00 42.01 H new ATOM 0 HG2 LYS A 16 5.179 -1.763 -7.058 1.00 43.11 H new ATOM 0 HG3 LYS A 16 4.477 -0.159 -6.971 1.00 43.11 H new ATOM 0 HD2 LYS A 16 6.066 -1.221 -9.342 1.00 14.21 H new ATOM 0 HD3 LYS A 16 4.317 -1.201 -9.248 1.00 14.21 H new ATOM 0 HE2 LYS A 16 4.297 0.916 -10.003 1.00 12.44 H new ATOM 0 HE3 LYS A 16 5.186 1.432 -8.583 1.00 12.44 H new ATOM 0 HZ1 LYS A 16 6.393 2.046 -10.538 1.00 62.23 H new ATOM 0 HZ2 LYS A 16 7.262 0.818 -9.750 1.00 62.23 H new ATOM 0 HZ3 LYS A 16 6.356 0.459 -11.140 1.00 62.23 H new ATOM 270 N LEU A 17 9.545 -0.856 -5.493 1.00 22.24 N ATOM 271 CA LEU A 17 10.764 -0.311 -4.903 1.00 51.21 C ATOM 272 C LEU A 17 11.957 -1.219 -5.183 1.00 33.32 C ATOM 273 O LEU A 17 13.106 -0.835 -4.967 1.00 44.30 O ATOM 274 CB LEU A 17 10.588 -0.130 -3.395 1.00 0.25 C ATOM 275 CG LEU A 17 9.345 0.643 -2.952 1.00 62.15 C ATOM 276 CD1 LEU A 17 9.359 0.859 -1.447 1.00 21.24 C ATOM 277 CD2 LEU A 17 9.256 1.975 -3.683 1.00 41.14 C ATOM 0 H LEU A 17 9.081 -1.564 -4.924 1.00 22.24 H new ATOM 0 HA LEU A 17 10.956 0.661 -5.358 1.00 51.21 H new ATOM 0 HB2 LEU A 17 10.562 -1.116 -2.932 1.00 0.25 H new ATOM 0 HB3 LEU A 17 11.468 0.382 -3.006 1.00 0.25 H new ATOM 0 HG LEU A 17 8.464 0.053 -3.206 1.00 62.15 H new ATOM 0 HD11 LEU A 17 8.467 1.411 -1.150 1.00 21.24 H new ATOM 0 HD12 LEU A 17 9.374 -0.106 -0.941 1.00 21.24 H new ATOM 0 HD13 LEU A 17 10.246 1.428 -1.169 1.00 21.24 H new ATOM 0 HD21 LEU A 17 8.365 2.511 -3.355 1.00 41.14 H new ATOM 0 HD22 LEU A 17 10.141 2.572 -3.461 1.00 41.14 H new ATOM 0 HD23 LEU A 17 9.198 1.798 -4.757 1.00 41.14 H new ATOM 289 N ALA A 18 11.675 -2.425 -5.665 1.00 25.55 N ATOM 290 CA ALA A 18 12.726 -3.386 -5.977 1.00 64.44 C ATOM 291 C ALA A 18 12.143 -4.660 -6.581 1.00 33.44 C ATOM 292 O ALA A 18 10.938 -4.752 -6.816 1.00 74.35 O ATOM 293 CB ALA A 18 13.532 -3.713 -4.729 1.00 11.42 C ATOM 0 H ALA A 18 10.729 -2.759 -5.848 1.00 25.55 H new ATOM 0 HA ALA A 18 13.389 -2.934 -6.715 1.00 64.44 H new ATOM 0 HB1 ALA A 18 14.313 -4.432 -4.978 1.00 11.42 H new ATOM 0 HB2 ALA A 18 13.988 -2.802 -4.341 1.00 11.42 H new ATOM 0 HB3 ALA A 18 12.874 -4.140 -3.972 1.00 11.42 H new ATOM 299 N LEU A 19 13.004 -5.641 -6.828 1.00 3.52 N ATOM 300 CA LEU A 19 12.574 -6.910 -7.404 1.00 2.12 C ATOM 301 C LEU A 19 11.769 -7.721 -6.394 1.00 71.00 C ATOM 302 O LEU A 19 10.989 -8.596 -6.766 1.00 63.13 O ATOM 303 CB LEU A 19 13.786 -7.716 -7.874 1.00 62.41 C ATOM 304 CG LEU A 19 14.660 -7.054 -8.940 1.00 64.22 C ATOM 305 CD1 LEU A 19 16.014 -7.743 -9.022 1.00 31.41 C ATOM 306 CD2 LEU A 19 13.963 -7.082 -10.293 1.00 32.13 C ATOM 0 H LEU A 19 14.004 -5.582 -6.638 1.00 3.52 H new ATOM 0 HA LEU A 19 11.935 -6.695 -8.260 1.00 2.12 H new ATOM 0 HB2 LEU A 19 14.409 -7.936 -7.007 1.00 62.41 H new ATOM 0 HB3 LEU A 19 13.433 -8.671 -8.264 1.00 62.41 H new ATOM 0 HG LEU A 19 14.820 -6.014 -8.657 1.00 64.22 H new ATOM 0 HD11 LEU A 19 16.623 -7.259 -9.786 1.00 31.41 H new ATOM 0 HD12 LEU A 19 16.517 -7.672 -8.058 1.00 31.41 H new ATOM 0 HD13 LEU A 19 15.873 -8.792 -9.282 1.00 31.41 H new ATOM 0 HD21 LEU A 19 14.599 -6.607 -11.040 1.00 32.13 H new ATOM 0 HD22 LEU A 19 13.773 -8.115 -10.583 1.00 32.13 H new ATOM 0 HD23 LEU A 19 13.017 -6.544 -10.226 1.00 32.13 H new ATOM 318 N GLY A 20 11.963 -7.422 -5.113 1.00 52.34 N ATOM 319 CA GLY A 20 11.247 -8.132 -4.069 1.00 31.31 C ATOM 320 C GLY A 20 12.099 -9.190 -3.398 1.00 73.23 C ATOM 321 O GLY A 20 11.715 -9.744 -2.368 1.00 21.32 O ATOM 0 H GLY A 20 12.603 -6.701 -4.780 1.00 52.34 H new ATOM 0 HA2 GLY A 20 10.902 -7.419 -3.320 1.00 31.31 H new ATOM 0 HA3 GLY A 20 10.360 -8.601 -4.495 1.00 31.31 H new ATOM 325 N ALA A 21 13.257 -9.473 -3.983 1.00 65.50 N ATOM 326 CA ALA A 21 14.167 -10.473 -3.434 1.00 54.41 C ATOM 327 C ALA A 21 15.289 -9.815 -2.638 1.00 13.30 C ATOM 328 O ALA A 21 15.837 -10.411 -1.711 1.00 4.02 O ATOM 329 CB ALA A 21 14.741 -11.332 -4.550 1.00 22.11 C ATOM 0 H ALA A 21 13.589 -9.025 -4.837 1.00 65.50 H new ATOM 0 HA ALA A 21 13.601 -11.111 -2.755 1.00 54.41 H new ATOM 0 HB1 ALA A 21 15.418 -12.074 -4.127 1.00 22.11 H new ATOM 0 HB2 ALA A 21 13.930 -11.838 -5.073 1.00 22.11 H new ATOM 0 HB3 ALA A 21 15.287 -10.701 -5.251 1.00 22.11 H new ATOM 335 N ASP A 22 15.627 -8.584 -3.007 1.00 32.33 N ATOM 336 CA ASP A 22 16.684 -7.846 -2.327 1.00 0.35 C ATOM 337 C ASP A 22 16.099 -6.751 -1.441 1.00 5.21 C ATOM 338 O ASP A 22 16.817 -5.868 -0.971 1.00 32.45 O ATOM 339 CB ASP A 22 17.646 -7.234 -3.347 1.00 73.13 C ATOM 340 CG ASP A 22 18.972 -6.837 -2.728 1.00 73.11 C ATOM 341 OD1 ASP A 22 19.454 -7.569 -1.839 1.00 65.15 O ATOM 342 OD2 ASP A 22 19.526 -5.793 -3.132 1.00 22.50 O ATOM 0 H ASP A 22 15.184 -8.077 -3.773 1.00 32.33 H new ATOM 0 HA ASP A 22 17.233 -8.545 -1.696 1.00 0.35 H new ATOM 0 HB2 ASP A 22 17.823 -7.950 -4.150 1.00 73.13 H new ATOM 0 HB3 ASP A 22 17.182 -6.357 -3.799 1.00 73.13 H new ATOM 347 N VAL A 23 14.791 -6.814 -1.217 1.00 31.41 N ATOM 348 CA VAL A 23 14.108 -5.828 -0.387 1.00 43.23 C ATOM 349 C VAL A 23 13.215 -6.504 0.647 1.00 4.34 C ATOM 350 O VAL A 23 12.726 -7.613 0.432 1.00 52.31 O ATOM 351 CB VAL A 23 13.254 -4.871 -1.240 1.00 64.33 C ATOM 352 CG1 VAL A 23 12.084 -5.615 -1.867 1.00 3.02 C ATOM 353 CG2 VAL A 23 12.764 -3.702 -0.399 1.00 71.12 C ATOM 0 H VAL A 23 14.182 -7.538 -1.599 1.00 31.41 H new ATOM 0 HA VAL A 23 14.881 -5.255 0.124 1.00 43.23 H new ATOM 0 HB VAL A 23 13.875 -4.476 -2.044 1.00 64.33 H new ATOM 0 HG11 VAL A 23 11.492 -4.923 -2.466 1.00 3.02 H new ATOM 0 HG12 VAL A 23 12.461 -6.415 -2.504 1.00 3.02 H new ATOM 0 HG13 VAL A 23 11.460 -6.040 -1.081 1.00 3.02 H new ATOM 0 HG21 VAL A 23 12.162 -3.036 -1.017 1.00 71.12 H new ATOM 0 HG22 VAL A 23 12.159 -4.076 0.427 1.00 71.12 H new ATOM 0 HG23 VAL A 23 13.620 -3.155 -0.003 1.00 71.12 H new ATOM 363 N VAL A 24 13.007 -5.828 1.773 1.00 41.15 N ATOM 364 CA VAL A 24 12.171 -6.363 2.842 1.00 5.51 C ATOM 365 C VAL A 24 11.155 -5.329 3.314 1.00 3.03 C ATOM 366 O VAL A 24 11.517 -4.311 3.903 1.00 12.10 O ATOM 367 CB VAL A 24 13.021 -6.817 4.044 1.00 33.41 C ATOM 368 CG1 VAL A 24 12.134 -7.398 5.135 1.00 44.34 C ATOM 369 CG2 VAL A 24 14.070 -7.827 3.603 1.00 20.12 C ATOM 0 H VAL A 24 13.406 -4.910 1.968 1.00 41.15 H new ATOM 0 HA VAL A 24 11.644 -7.225 2.432 1.00 5.51 H new ATOM 0 HB VAL A 24 13.536 -5.948 4.453 1.00 33.41 H new ATOM 0 HG11 VAL A 24 12.751 -7.713 5.976 1.00 44.34 H new ATOM 0 HG12 VAL A 24 11.425 -6.641 5.469 1.00 44.34 H new ATOM 0 HG13 VAL A 24 11.590 -8.257 4.742 1.00 44.34 H new ATOM 0 HG21 VAL A 24 14.661 -8.137 4.465 1.00 20.12 H new ATOM 0 HG22 VAL A 24 13.577 -8.697 3.169 1.00 20.12 H new ATOM 0 HG23 VAL A 24 14.724 -7.371 2.859 1.00 20.12 H new ATOM 379 N VAL A 25 9.880 -5.597 3.051 1.00 41.12 N ATOM 380 CA VAL A 25 8.810 -4.691 3.450 1.00 42.43 C ATOM 381 C VAL A 25 7.899 -5.339 4.486 1.00 64.03 C ATOM 382 O VAL A 25 7.618 -6.537 4.420 1.00 22.43 O ATOM 383 CB VAL A 25 7.964 -4.256 2.239 1.00 54.11 C ATOM 384 CG1 VAL A 25 6.834 -3.336 2.679 1.00 25.24 C ATOM 385 CG2 VAL A 25 8.837 -3.578 1.194 1.00 2.02 C ATOM 0 H VAL A 25 9.563 -6.435 2.563 1.00 41.12 H new ATOM 0 HA VAL A 25 9.285 -3.813 3.887 1.00 42.43 H new ATOM 0 HB VAL A 25 7.523 -5.145 1.789 1.00 54.11 H new ATOM 0 HG11 VAL A 25 6.247 -3.039 1.810 1.00 25.24 H new ATOM 0 HG12 VAL A 25 6.193 -3.860 3.388 1.00 25.24 H new ATOM 0 HG13 VAL A 25 7.252 -2.449 3.155 1.00 25.24 H new ATOM 0 HG21 VAL A 25 8.222 -3.277 0.346 1.00 2.02 H new ATOM 0 HG22 VAL A 25 9.309 -2.698 1.630 1.00 2.02 H new ATOM 0 HG23 VAL A 25 9.606 -4.272 0.857 1.00 2.02 H new ATOM 395 N THR A 26 7.438 -4.541 5.443 1.00 52.31 N ATOM 396 CA THR A 26 6.559 -5.035 6.495 1.00 42.31 C ATOM 397 C THR A 26 5.610 -3.944 6.977 1.00 40.14 C ATOM 398 O THR A 26 5.804 -2.766 6.682 1.00 33.25 O ATOM 399 CB THR A 26 7.363 -5.568 7.695 1.00 2.13 C ATOM 400 OG1 THR A 26 8.623 -4.891 7.780 1.00 70.43 O ATOM 401 CG2 THR A 26 7.595 -7.066 7.570 1.00 75.33 C ATOM 0 H THR A 26 7.659 -3.548 5.511 1.00 52.31 H new ATOM 0 HA THR A 26 5.980 -5.852 6.064 1.00 42.31 H new ATOM 0 HB THR A 26 6.787 -5.380 8.601 1.00 2.13 H new ATOM 0 HG1 THR A 26 8.493 -3.935 7.607 1.00 70.43 H new ATOM 0 HG21 THR A 26 8.165 -7.419 8.429 1.00 75.33 H new ATOM 0 HG22 THR A 26 6.635 -7.581 7.535 1.00 75.33 H new ATOM 0 HG23 THR A 26 8.151 -7.273 6.656 1.00 75.33 H new ATOM 409 N ALA A 27 4.583 -4.345 7.719 1.00 20.14 N ATOM 410 CA ALA A 27 3.606 -3.400 8.245 1.00 60.43 C ATOM 411 C ALA A 27 4.279 -2.334 9.102 1.00 55.41 C ATOM 412 O ALA A 27 3.754 -1.231 9.263 1.00 65.41 O ATOM 413 CB ALA A 27 2.543 -4.134 9.050 1.00 14.14 C ATOM 0 H ALA A 27 4.406 -5.318 7.969 1.00 20.14 H new ATOM 0 HA ALA A 27 3.128 -2.902 7.401 1.00 60.43 H new ATOM 0 HB1 ALA A 27 1.820 -3.416 9.437 1.00 14.14 H new ATOM 0 HB2 ALA A 27 2.033 -4.853 8.409 1.00 14.14 H new ATOM 0 HB3 ALA A 27 3.014 -4.659 9.881 1.00 14.14 H new ATOM 419 N ASP A 28 5.442 -2.668 9.650 1.00 43.45 N ATOM 420 CA ASP A 28 6.186 -1.737 10.489 1.00 23.33 C ATOM 421 C ASP A 28 7.084 -0.840 9.644 1.00 41.34 C ATOM 422 O ASP A 28 7.507 0.228 10.088 1.00 51.34 O ATOM 423 CB ASP A 28 7.029 -2.503 11.513 1.00 54.45 C ATOM 424 CG ASP A 28 7.295 -1.691 12.766 1.00 62.13 C ATOM 425 OD1 ASP A 28 7.058 -0.465 12.741 1.00 50.11 O ATOM 426 OD2 ASP A 28 7.739 -2.284 13.772 1.00 52.21 O ATOM 0 H ASP A 28 5.890 -3.576 9.528 1.00 43.45 H new ATOM 0 HA ASP A 28 5.468 -1.108 11.016 1.00 23.33 H new ATOM 0 HB2 ASP A 28 6.517 -3.426 11.784 1.00 54.45 H new ATOM 0 HB3 ASP A 28 7.978 -2.787 11.059 1.00 54.45 H new ATOM 431 N SER A 29 7.372 -1.281 8.423 1.00 62.24 N ATOM 432 CA SER A 29 8.223 -0.520 7.516 1.00 30.25 C ATOM 433 C SER A 29 7.492 0.711 6.990 1.00 5.23 C ATOM 434 O SER A 29 6.283 0.678 6.766 1.00 10.51 O ATOM 435 CB SER A 29 8.673 -1.398 6.347 1.00 71.51 C ATOM 436 OG SER A 29 9.309 -2.578 6.811 1.00 51.43 O ATOM 0 H SER A 29 7.028 -2.161 8.040 1.00 62.24 H new ATOM 0 HA SER A 29 9.101 -0.190 8.072 1.00 30.25 H new ATOM 0 HB2 SER A 29 7.811 -1.662 5.734 1.00 71.51 H new ATOM 0 HB3 SER A 29 9.358 -0.838 5.710 1.00 71.51 H new ATOM 0 HG SER A 29 9.586 -3.123 6.045 1.00 51.43 H new ATOM 442 N GLU A 30 8.236 1.796 6.795 1.00 63.23 N ATOM 443 CA GLU A 30 7.660 3.038 6.296 1.00 54.25 C ATOM 444 C GLU A 30 8.048 3.271 4.838 1.00 2.11 C ATOM 445 O GLU A 30 9.194 3.050 4.447 1.00 2.12 O ATOM 446 CB GLU A 30 8.117 4.220 7.153 1.00 43.24 C ATOM 447 CG GLU A 30 8.012 3.964 8.647 1.00 55.24 C ATOM 448 CD GLU A 30 8.557 5.112 9.475 1.00 41.24 C ATOM 449 OE1 GLU A 30 9.785 5.149 9.700 1.00 11.40 O ATOM 450 OE2 GLU A 30 7.757 5.972 9.896 1.00 34.42 O ATOM 0 H GLU A 30 9.239 1.839 6.975 1.00 63.23 H new ATOM 0 HA GLU A 30 6.575 2.955 6.356 1.00 54.25 H new ATOM 0 HB2 GLU A 30 9.151 4.459 6.906 1.00 43.24 H new ATOM 0 HB3 GLU A 30 7.518 5.095 6.900 1.00 43.24 H new ATOM 0 HG2 GLU A 30 6.968 3.794 8.910 1.00 55.24 H new ATOM 0 HG3 GLU A 30 8.555 3.052 8.895 1.00 55.24 H new ATOM 457 N PHE A 31 7.085 3.719 4.040 1.00 53.12 N ATOM 458 CA PHE A 31 7.325 3.982 2.625 1.00 43.10 C ATOM 459 C PHE A 31 8.538 4.888 2.439 1.00 44.04 C ATOM 460 O PHE A 31 9.240 4.804 1.431 1.00 53.34 O ATOM 461 CB PHE A 31 6.092 4.625 1.987 1.00 35.41 C ATOM 462 CG PHE A 31 4.898 3.714 1.939 1.00 64.12 C ATOM 463 CD1 PHE A 31 4.867 2.638 1.066 1.00 44.00 C ATOM 464 CD2 PHE A 31 3.809 3.933 2.766 1.00 41.01 C ATOM 465 CE1 PHE A 31 3.770 1.799 1.019 1.00 72.24 C ATOM 466 CE2 PHE A 31 2.709 3.096 2.723 1.00 12.24 C ATOM 467 CZ PHE A 31 2.690 2.027 1.849 1.00 54.11 C ATOM 0 H PHE A 31 6.131 3.908 4.348 1.00 53.12 H new ATOM 0 HA PHE A 31 7.525 3.030 2.133 1.00 43.10 H new ATOM 0 HB2 PHE A 31 5.831 5.524 2.545 1.00 35.41 H new ATOM 0 HB3 PHE A 31 6.340 4.940 0.973 1.00 35.41 H new ATOM 0 HD1 PHE A 31 5.709 2.453 0.416 1.00 44.00 H new ATOM 0 HD2 PHE A 31 3.819 4.767 3.452 1.00 41.01 H new ATOM 0 HE1 PHE A 31 3.757 0.965 0.333 1.00 72.24 H new ATOM 0 HE2 PHE A 31 1.866 3.278 3.372 1.00 12.24 H new ATOM 0 HZ PHE A 31 1.833 1.371 1.815 1.00 54.11 H new ATOM 477 N SER A 32 8.779 5.753 3.418 1.00 10.11 N ATOM 478 CA SER A 32 9.905 6.679 3.361 1.00 64.34 C ATOM 479 C SER A 32 11.216 5.959 3.662 1.00 63.14 C ATOM 480 O SER A 32 12.259 6.278 3.091 1.00 21.34 O ATOM 481 CB SER A 32 9.701 7.825 4.353 1.00 53.34 C ATOM 482 OG SER A 32 9.585 7.339 5.678 1.00 33.31 O ATOM 0 H SER A 32 8.210 5.833 4.261 1.00 10.11 H new ATOM 0 HA SER A 32 9.957 7.087 2.351 1.00 64.34 H new ATOM 0 HB2 SER A 32 10.539 8.519 4.289 1.00 53.34 H new ATOM 0 HB3 SER A 32 8.804 8.384 4.088 1.00 53.34 H new ATOM 0 HG SER A 32 9.457 8.092 6.292 1.00 33.31 H new ATOM 488 N LYS A 33 11.155 4.982 4.562 1.00 41.41 N ATOM 489 CA LYS A 33 12.335 4.215 4.939 1.00 63.50 C ATOM 490 C LYS A 33 12.689 3.194 3.862 1.00 54.24 C ATOM 491 O LYS A 33 13.863 2.931 3.602 1.00 51.20 O ATOM 492 CB LYS A 33 12.099 3.502 6.273 1.00 43.03 C ATOM 493 CG LYS A 33 12.593 4.286 7.477 1.00 72.53 C ATOM 494 CD LYS A 33 14.031 3.936 7.819 1.00 25.11 C ATOM 495 CE LYS A 33 14.104 2.812 8.841 1.00 64.32 C ATOM 496 NZ LYS A 33 15.492 2.298 9.004 1.00 40.21 N ATOM 0 H LYS A 33 10.300 4.704 5.043 1.00 41.41 H new ATOM 0 HA LYS A 33 13.169 4.908 5.045 1.00 63.50 H new ATOM 0 HB2 LYS A 33 11.033 3.309 6.388 1.00 43.03 H new ATOM 0 HB3 LYS A 33 12.598 2.533 6.251 1.00 43.03 H new ATOM 0 HG2 LYS A 33 12.516 5.354 7.273 1.00 72.53 H new ATOM 0 HG3 LYS A 33 11.953 4.078 8.335 1.00 72.53 H new ATOM 0 HD2 LYS A 33 14.560 3.640 6.913 1.00 25.11 H new ATOM 0 HD3 LYS A 33 14.538 4.818 8.210 1.00 25.11 H new ATOM 0 HE2 LYS A 33 13.735 3.171 9.802 1.00 64.32 H new ATOM 0 HE3 LYS A 33 13.449 1.997 8.532 1.00 64.32 H new ATOM 0 HZ1 LYS A 33 15.498 1.533 9.709 1.00 40.21 H new ATOM 0 HZ2 LYS A 33 15.836 1.932 8.093 1.00 40.21 H new ATOM 0 HZ3 LYS A 33 16.112 3.069 9.324 1.00 40.21 H new ATOM 510 N LEU A 34 11.664 2.624 3.235 1.00 23.42 N ATOM 511 CA LEU A 34 11.867 1.633 2.183 1.00 5.14 C ATOM 512 C LEU A 34 12.472 2.276 0.939 1.00 32.12 C ATOM 513 O LEU A 34 13.056 1.596 0.098 1.00 64.23 O ATOM 514 CB LEU A 34 10.541 0.959 1.829 1.00 71.25 C ATOM 515 CG LEU A 34 9.857 0.190 2.960 1.00 74.30 C ATOM 516 CD1 LEU A 34 8.600 -0.500 2.452 1.00 14.01 C ATOM 517 CD2 LEU A 34 10.813 -0.823 3.571 1.00 64.32 C ATOM 0 H LEU A 34 10.686 2.831 3.437 1.00 23.42 H new ATOM 0 HA LEU A 34 12.562 0.881 2.555 1.00 5.14 H new ATOM 0 HB2 LEU A 34 9.853 1.723 1.468 1.00 71.25 H new ATOM 0 HB3 LEU A 34 10.715 0.271 1.002 1.00 71.25 H new ATOM 0 HG LEU A 34 9.569 0.901 3.735 1.00 74.30 H new ATOM 0 HD11 LEU A 34 8.127 -1.042 3.270 1.00 14.01 H new ATOM 0 HD12 LEU A 34 7.907 0.246 2.063 1.00 14.01 H new ATOM 0 HD13 LEU A 34 8.864 -1.199 1.658 1.00 14.01 H new ATOM 0 HD21 LEU A 34 10.309 -1.361 4.374 1.00 64.32 H new ATOM 0 HD22 LEU A 34 11.132 -1.530 2.805 1.00 64.32 H new ATOM 0 HD23 LEU A 34 11.684 -0.305 3.972 1.00 64.32 H new ATOM 529 N GLY A 35 12.329 3.594 0.831 1.00 13.11 N ATOM 530 CA GLY A 35 12.867 4.307 -0.312 1.00 41.13 C ATOM 531 C GLY A 35 11.784 4.911 -1.182 1.00 54.53 C ATOM 532 O GLY A 35 12.047 5.812 -1.978 1.00 50.01 O ATOM 0 H GLY A 35 11.850 4.180 1.515 1.00 13.11 H new ATOM 0 HA2 GLY A 35 13.531 5.098 0.037 1.00 41.13 H new ATOM 0 HA3 GLY A 35 13.471 3.625 -0.910 1.00 41.13 H new ATOM 536 N ALA A 36 10.560 4.413 -1.033 1.00 22.52 N ATOM 537 CA ALA A 36 9.432 4.910 -1.811 1.00 62.35 C ATOM 538 C ALA A 36 9.250 6.410 -1.617 1.00 13.53 C ATOM 539 O ALA A 36 8.851 6.864 -0.543 1.00 43.55 O ATOM 540 CB ALA A 36 8.160 4.167 -1.429 1.00 32.31 C ATOM 0 H ALA A 36 10.325 3.665 -0.380 1.00 22.52 H new ATOM 0 HA ALA A 36 9.642 4.730 -2.865 1.00 62.35 H new ATOM 0 HB1 ALA A 36 7.325 4.548 -2.017 1.00 32.31 H new ATOM 0 HB2 ALA A 36 8.287 3.103 -1.626 1.00 32.31 H new ATOM 0 HB3 ALA A 36 7.955 4.317 -0.369 1.00 32.31 H new ATOM 546 N ASP A 37 9.544 7.178 -2.660 1.00 43.24 N ATOM 547 CA ASP A 37 9.412 8.628 -2.605 1.00 0.44 C ATOM 548 C ASP A 37 7.989 9.058 -2.945 1.00 12.32 C ATOM 549 O ASP A 37 7.170 8.245 -3.373 1.00 43.30 O ATOM 550 CB ASP A 37 10.402 9.290 -3.566 1.00 71.31 C ATOM 551 CG ASP A 37 11.721 8.546 -3.640 1.00 13.34 C ATOM 552 OD1 ASP A 37 12.470 8.564 -2.640 1.00 13.34 O ATOM 553 OD2 ASP A 37 12.005 7.946 -4.697 1.00 45.51 O ATOM 0 H ASP A 37 9.876 6.819 -3.555 1.00 43.24 H new ATOM 0 HA ASP A 37 9.636 8.949 -1.588 1.00 0.44 H new ATOM 0 HB2 ASP A 37 9.960 9.340 -4.561 1.00 71.31 H new ATOM 0 HB3 ASP A 37 10.584 10.316 -3.246 1.00 71.31 H new ATOM 558 N SER A 38 7.701 10.342 -2.751 1.00 43.31 N ATOM 559 CA SER A 38 6.375 10.879 -3.034 1.00 32.44 C ATOM 560 C SER A 38 5.997 10.655 -4.494 1.00 23.21 C ATOM 561 O SER A 38 4.818 10.643 -4.849 1.00 32.12 O ATOM 562 CB SER A 38 6.326 12.372 -2.704 1.00 50.13 C ATOM 563 OG SER A 38 4.993 12.808 -2.507 1.00 74.34 O ATOM 0 H SER A 38 8.368 11.029 -2.399 1.00 43.31 H new ATOM 0 HA SER A 38 5.655 10.352 -2.408 1.00 32.44 H new ATOM 0 HB2 SER A 38 6.912 12.568 -1.806 1.00 50.13 H new ATOM 0 HB3 SER A 38 6.782 12.942 -3.514 1.00 50.13 H new ATOM 0 HG SER A 38 4.990 13.765 -2.296 1.00 74.34 H new ATOM 569 N LEU A 39 7.007 10.478 -5.339 1.00 24.12 N ATOM 570 CA LEU A 39 6.784 10.254 -6.763 1.00 10.33 C ATOM 571 C LEU A 39 6.369 8.811 -7.029 1.00 61.12 C ATOM 572 O LEU A 39 5.592 8.536 -7.944 1.00 3.45 O ATOM 573 CB LEU A 39 8.048 10.588 -7.557 1.00 2.13 C ATOM 574 CG LEU A 39 8.639 11.979 -7.324 1.00 12.32 C ATOM 575 CD1 LEU A 39 10.064 12.049 -7.849 1.00 25.31 C ATOM 576 CD2 LEU A 39 7.773 13.044 -7.983 1.00 64.44 C ATOM 0 H LEU A 39 7.989 10.485 -5.062 1.00 24.12 H new ATOM 0 HA LEU A 39 5.976 10.910 -7.086 1.00 10.33 H new ATOM 0 HB2 LEU A 39 8.810 9.847 -7.317 1.00 2.13 H new ATOM 0 HB3 LEU A 39 7.824 10.483 -8.619 1.00 2.13 H new ATOM 0 HG LEU A 39 8.660 12.168 -6.251 1.00 12.32 H new ATOM 0 HD11 LEU A 39 10.468 13.046 -7.674 1.00 25.31 H new ATOM 0 HD12 LEU A 39 10.679 11.313 -7.331 1.00 25.31 H new ATOM 0 HD13 LEU A 39 10.069 11.838 -8.918 1.00 25.31 H new ATOM 0 HD21 LEU A 39 8.209 14.027 -7.807 1.00 64.44 H new ATOM 0 HD22 LEU A 39 7.720 12.857 -9.056 1.00 64.44 H new ATOM 0 HD23 LEU A 39 6.769 13.011 -7.559 1.00 64.44 H new ATOM 588 N ASP A 40 6.891 7.893 -6.223 1.00 14.40 N ATOM 589 CA ASP A 40 6.573 6.478 -6.369 1.00 74.23 C ATOM 590 C ASP A 40 5.232 6.152 -5.717 1.00 24.14 C ATOM 591 O ASP A 40 4.517 5.251 -6.157 1.00 3.05 O ATOM 592 CB ASP A 40 7.677 5.619 -5.751 1.00 71.24 C ATOM 593 CG ASP A 40 7.676 4.201 -6.288 1.00 23.52 C ATOM 594 OD1 ASP A 40 6.577 3.655 -6.523 1.00 31.32 O ATOM 595 OD2 ASP A 40 8.774 3.636 -6.474 1.00 31.43 O ATOM 0 H ASP A 40 7.536 8.104 -5.462 1.00 14.40 H new ATOM 0 HA ASP A 40 6.503 6.255 -7.434 1.00 74.23 H new ATOM 0 HB2 ASP A 40 8.645 6.079 -5.949 1.00 71.24 H new ATOM 0 HB3 ASP A 40 7.551 5.595 -4.669 1.00 71.24 H new ATOM 600 N THR A 41 4.898 6.890 -4.663 1.00 60.13 N ATOM 601 CA THR A 41 3.646 6.678 -3.948 1.00 1.44 C ATOM 602 C THR A 41 2.467 6.610 -4.913 1.00 32.13 C ATOM 603 O THR A 41 1.624 5.718 -4.816 1.00 42.32 O ATOM 604 CB THR A 41 3.389 7.797 -2.921 1.00 11.43 C ATOM 605 OG1 THR A 41 4.634 8.306 -2.429 1.00 43.20 O ATOM 606 CG2 THR A 41 2.552 7.284 -1.760 1.00 33.12 C ATOM 0 H THR A 41 5.477 7.640 -4.286 1.00 60.13 H new ATOM 0 HA THR A 41 3.739 5.727 -3.423 1.00 1.44 H new ATOM 0 HB THR A 41 2.841 8.597 -3.418 1.00 11.43 H new ATOM 0 HG1 THR A 41 4.485 8.768 -1.578 1.00 43.20 H new ATOM 0 HG21 THR A 41 2.384 8.092 -1.048 1.00 33.12 H new ATOM 0 HG22 THR A 41 1.593 6.924 -2.134 1.00 33.12 H new ATOM 0 HG23 THR A 41 3.078 6.468 -1.265 1.00 33.12 H new ATOM 614 N VAL A 42 2.415 7.557 -5.843 1.00 53.31 N ATOM 615 CA VAL A 42 1.340 7.603 -6.827 1.00 55.02 C ATOM 616 C VAL A 42 1.193 6.265 -7.544 1.00 20.24 C ATOM 617 O VAL A 42 0.086 5.854 -7.890 1.00 21.35 O ATOM 618 CB VAL A 42 1.581 8.709 -7.872 1.00 11.20 C ATOM 619 CG1 VAL A 42 2.811 8.393 -8.709 1.00 24.21 C ATOM 620 CG2 VAL A 42 0.355 8.884 -8.756 1.00 24.43 C ATOM 0 H VAL A 42 3.104 8.303 -5.936 1.00 53.31 H new ATOM 0 HA VAL A 42 0.422 7.823 -6.282 1.00 55.02 H new ATOM 0 HB VAL A 42 1.759 9.648 -7.347 1.00 11.20 H new ATOM 0 HG11 VAL A 42 2.966 9.185 -9.442 1.00 24.21 H new ATOM 0 HG12 VAL A 42 3.684 8.323 -8.060 1.00 24.21 H new ATOM 0 HG13 VAL A 42 2.666 7.444 -9.225 1.00 24.21 H new ATOM 0 HG21 VAL A 42 0.543 9.669 -9.488 1.00 24.43 H new ATOM 0 HG22 VAL A 42 0.143 7.948 -9.274 1.00 24.43 H new ATOM 0 HG23 VAL A 42 -0.501 9.160 -8.140 1.00 24.43 H new ATOM 630 N GLU A 43 2.317 5.591 -7.762 1.00 22.40 N ATOM 631 CA GLU A 43 2.314 4.299 -8.438 1.00 74.22 C ATOM 632 C GLU A 43 1.818 3.198 -7.505 1.00 75.30 C ATOM 633 O GLU A 43 1.246 2.202 -7.950 1.00 11.33 O ATOM 634 CB GLU A 43 3.716 3.959 -8.945 1.00 51.33 C ATOM 635 CG GLU A 43 3.786 3.751 -10.448 1.00 14.41 C ATOM 636 CD GLU A 43 4.375 4.944 -11.177 1.00 35.34 C ATOM 637 OE1 GLU A 43 5.599 5.160 -11.065 1.00 42.31 O ATOM 638 OE2 GLU A 43 3.611 5.662 -11.855 1.00 62.24 O ATOM 0 H GLU A 43 3.241 5.918 -7.481 1.00 22.40 H new ATOM 0 HA GLU A 43 1.635 4.365 -9.288 1.00 74.22 H new ATOM 0 HB2 GLU A 43 4.399 4.762 -8.666 1.00 51.33 H new ATOM 0 HB3 GLU A 43 4.065 3.055 -8.445 1.00 51.33 H new ATOM 0 HG2 GLU A 43 4.387 2.867 -10.661 1.00 14.41 H new ATOM 0 HG3 GLU A 43 2.784 3.555 -10.831 1.00 14.41 H new ATOM 645 N ILE A 44 2.042 3.385 -6.208 1.00 74.22 N ATOM 646 CA ILE A 44 1.618 2.409 -5.212 1.00 35.43 C ATOM 647 C ILE A 44 0.097 2.332 -5.129 1.00 2.41 C ATOM 648 O ILE A 44 -0.478 1.246 -5.052 1.00 30.23 O ATOM 649 CB ILE A 44 2.179 2.746 -3.818 1.00 3.41 C ATOM 650 CG1 ILE A 44 3.681 3.031 -3.905 1.00 54.10 C ATOM 651 CG2 ILE A 44 1.905 1.608 -2.847 1.00 4.24 C ATOM 652 CD1 ILE A 44 4.455 1.969 -4.654 1.00 54.11 C ATOM 0 H ILE A 44 2.514 4.203 -5.823 1.00 74.22 H new ATOM 0 HA ILE A 44 2.012 1.444 -5.530 1.00 35.43 H new ATOM 0 HB ILE A 44 1.679 3.641 -3.447 1.00 3.41 H new ATOM 0 HG12 ILE A 44 3.832 3.993 -4.395 1.00 54.10 H new ATOM 0 HG13 ILE A 44 4.085 3.120 -2.896 1.00 54.10 H new ATOM 0 HG21 ILE A 44 2.308 1.862 -1.866 1.00 4.24 H new ATOM 0 HG22 ILE A 44 0.830 1.448 -2.768 1.00 4.24 H new ATOM 0 HG23 ILE A 44 2.381 0.697 -3.210 1.00 4.24 H new ATOM 0 HD11 ILE A 44 5.511 2.236 -4.676 1.00 54.11 H new ATOM 0 HD12 ILE A 44 4.334 1.009 -4.152 1.00 54.11 H new ATOM 0 HD13 ILE A 44 4.078 1.895 -5.674 1.00 54.11 H new ATOM 664 N VAL A 45 -0.551 3.493 -5.150 1.00 62.33 N ATOM 665 CA VAL A 45 -2.006 3.557 -5.080 1.00 10.44 C ATOM 666 C VAL A 45 -2.640 3.071 -6.379 1.00 2.23 C ATOM 667 O VAL A 45 -3.709 2.462 -6.368 1.00 53.43 O ATOM 668 CB VAL A 45 -2.490 4.990 -4.790 1.00 10.23 C ATOM 669 CG1 VAL A 45 -3.989 5.005 -4.528 1.00 25.54 C ATOM 670 CG2 VAL A 45 -1.729 5.581 -3.614 1.00 14.05 C ATOM 0 H VAL A 45 -0.091 4.401 -5.215 1.00 62.33 H new ATOM 0 HA VAL A 45 -2.314 2.905 -4.263 1.00 10.44 H new ATOM 0 HB VAL A 45 -2.293 5.606 -5.667 1.00 10.23 H new ATOM 0 HG11 VAL A 45 -4.313 6.026 -4.325 1.00 25.54 H new ATOM 0 HG12 VAL A 45 -4.515 4.625 -5.404 1.00 25.54 H new ATOM 0 HG13 VAL A 45 -4.214 4.375 -3.667 1.00 25.54 H new ATOM 0 HG21 VAL A 45 -2.084 6.594 -3.423 1.00 14.05 H new ATOM 0 HG22 VAL A 45 -1.893 4.966 -2.729 1.00 14.05 H new ATOM 0 HG23 VAL A 45 -0.664 5.607 -3.846 1.00 14.05 H new ATOM 680 N MET A 46 -1.973 3.344 -7.495 1.00 53.32 N ATOM 681 CA MET A 46 -2.471 2.933 -8.803 1.00 0.12 C ATOM 682 C MET A 46 -2.416 1.416 -8.952 1.00 11.10 C ATOM 683 O MET A 46 -3.391 0.789 -9.364 1.00 61.12 O ATOM 684 CB MET A 46 -1.656 3.597 -9.915 1.00 73.31 C ATOM 685 CG MET A 46 -2.023 3.112 -11.308 1.00 50.40 C ATOM 686 SD MET A 46 -1.990 4.435 -12.534 1.00 71.41 S ATOM 687 CE MET A 46 -0.450 5.247 -12.115 1.00 24.04 C ATOM 0 H MET A 46 -1.087 3.848 -7.520 1.00 53.32 H new ATOM 0 HA MET A 46 -3.510 3.251 -8.886 1.00 0.12 H new ATOM 0 HB2 MET A 46 -1.800 4.676 -9.865 1.00 73.31 H new ATOM 0 HB3 MET A 46 -0.597 3.408 -9.741 1.00 73.31 H new ATOM 0 HG2 MET A 46 -1.331 2.325 -11.609 1.00 50.40 H new ATOM 0 HG3 MET A 46 -3.018 2.669 -11.284 1.00 50.40 H new ATOM 0 HE1 MET A 46 -0.044 5.736 -13.000 1.00 24.04 H new ATOM 0 HE2 MET A 46 -0.631 5.992 -11.340 1.00 24.04 H new ATOM 0 HE3 MET A 46 0.263 4.508 -11.749 1.00 24.04 H new ATOM 697 N ASN A 47 -1.271 0.833 -8.614 1.00 45.42 N ATOM 698 CA ASN A 47 -1.089 -0.610 -8.712 1.00 44.14 C ATOM 699 C ASN A 47 -2.052 -1.344 -7.783 1.00 0.52 C ATOM 700 O ASN A 47 -2.574 -2.406 -8.125 1.00 15.22 O ATOM 701 CB ASN A 47 0.354 -0.989 -8.372 1.00 51.34 C ATOM 702 CG ASN A 47 1.341 -0.490 -9.409 1.00 3.23 C ATOM 703 OD1 ASN A 47 2.349 0.134 -9.074 1.00 32.43 O ATOM 704 ND2 ASN A 47 1.057 -0.764 -10.677 1.00 40.20 N ATOM 0 H ASN A 47 -0.455 1.338 -8.270 1.00 45.42 H new ATOM 0 HA ASN A 47 -1.303 -0.909 -9.738 1.00 44.14 H new ATOM 0 HB2 ASN A 47 0.615 -0.577 -7.397 1.00 51.34 H new ATOM 0 HB3 ASN A 47 0.433 -2.073 -8.291 1.00 51.34 H new ATOM 0 HD21 ASN A 47 1.685 -0.455 -11.419 1.00 40.20 H new ATOM 0 HD22 ASN A 47 0.211 -1.284 -10.909 1.00 40.20 H new ATOM 711 N LEU A 48 -2.282 -0.770 -6.607 1.00 20.20 N ATOM 712 CA LEU A 48 -3.182 -1.368 -5.628 1.00 64.41 C ATOM 713 C LEU A 48 -4.636 -1.219 -6.062 1.00 14.15 C ATOM 714 O LEU A 48 -5.418 -2.167 -5.985 1.00 2.43 O ATOM 715 CB LEU A 48 -2.978 -0.721 -4.257 1.00 1.00 C ATOM 716 CG LEU A 48 -1.636 -0.995 -3.578 1.00 11.34 C ATOM 717 CD1 LEU A 48 -1.361 0.043 -2.501 1.00 3.03 C ATOM 718 CD2 LEU A 48 -1.612 -2.398 -2.988 1.00 13.12 C ATOM 0 H LEU A 48 -1.858 0.108 -6.309 1.00 20.20 H new ATOM 0 HA LEU A 48 -2.950 -2.431 -5.560 1.00 64.41 H new ATOM 0 HB2 LEU A 48 -3.094 0.357 -4.366 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -3.774 -1.062 -3.595 1.00 1.00 H new ATOM 0 HG LEU A 48 -0.850 -0.926 -4.330 1.00 11.34 H new ATOM 0 HD11 LEU A 48 -0.402 -0.168 -2.029 1.00 3.03 H new ATOM 0 HD12 LEU A 48 -1.333 1.035 -2.951 1.00 3.03 H new ATOM 0 HD13 LEU A 48 -2.151 0.007 -1.751 1.00 3.03 H new ATOM 0 HD21 LEU A 48 -0.649 -2.575 -2.509 1.00 13.12 H new ATOM 0 HD22 LEU A 48 -2.408 -2.496 -2.250 1.00 13.12 H new ATOM 0 HD23 LEU A 48 -1.762 -3.129 -3.782 1.00 13.12 H new ATOM 730 N GLU A 49 -4.992 -0.022 -6.520 1.00 54.11 N ATOM 731 CA GLU A 49 -6.353 0.250 -6.968 1.00 13.01 C ATOM 732 C GLU A 49 -6.782 -0.748 -8.039 1.00 74.02 C ATOM 733 O GLU A 49 -7.926 -1.202 -8.055 1.00 42.42 O ATOM 734 CB GLU A 49 -6.459 1.676 -7.512 1.00 3.21 C ATOM 735 CG GLU A 49 -6.668 2.726 -6.433 1.00 64.44 C ATOM 736 CD GLU A 49 -6.592 4.141 -6.972 1.00 51.03 C ATOM 737 OE1 GLU A 49 -5.481 4.709 -6.996 1.00 54.33 O ATOM 738 OE2 GLU A 49 -7.647 4.680 -7.371 1.00 23.41 O ATOM 0 H GLU A 49 -4.357 0.773 -6.590 1.00 54.11 H new ATOM 0 HA GLU A 49 -7.018 0.146 -6.111 1.00 13.01 H new ATOM 0 HB2 GLU A 49 -5.551 1.913 -8.066 1.00 3.21 H new ATOM 0 HB3 GLU A 49 -7.286 1.725 -8.220 1.00 3.21 H new ATOM 0 HG2 GLU A 49 -7.640 2.572 -5.965 1.00 64.44 H new ATOM 0 HG3 GLU A 49 -5.915 2.597 -5.655 1.00 64.44 H new ATOM 745 N GLU A 50 -5.857 -1.083 -8.932 1.00 44.35 N ATOM 746 CA GLU A 50 -6.141 -2.026 -10.009 1.00 20.24 C ATOM 747 C GLU A 50 -6.187 -3.457 -9.480 1.00 22.41 C ATOM 748 O GLU A 50 -6.877 -4.312 -10.034 1.00 3.43 O ATOM 749 CB GLU A 50 -5.084 -1.911 -11.110 1.00 30.51 C ATOM 750 CG GLU A 50 -5.502 -2.550 -12.423 1.00 52.35 C ATOM 751 CD GLU A 50 -4.380 -2.575 -13.442 1.00 52.40 C ATOM 752 OE1 GLU A 50 -3.464 -3.411 -13.298 1.00 34.30 O ATOM 753 OE2 GLU A 50 -4.419 -1.758 -14.387 1.00 33.53 O ATOM 0 H GLU A 50 -4.905 -0.716 -8.932 1.00 44.35 H new ATOM 0 HA GLU A 50 -7.117 -1.779 -10.426 1.00 20.24 H new ATOM 0 HB2 GLU A 50 -4.864 -0.857 -11.282 1.00 30.51 H new ATOM 0 HB3 GLU A 50 -4.161 -2.378 -10.766 1.00 30.51 H new ATOM 0 HG2 GLU A 50 -5.840 -3.569 -12.235 1.00 52.35 H new ATOM 0 HG3 GLU A 50 -6.350 -2.003 -12.835 1.00 52.35 H new ATOM 760 N GLU A 51 -5.446 -3.709 -8.405 1.00 34.51 N ATOM 761 CA GLU A 51 -5.401 -5.036 -7.803 1.00 72.21 C ATOM 762 C GLU A 51 -6.705 -5.347 -7.073 1.00 11.04 C ATOM 763 O GLU A 51 -7.325 -6.386 -7.300 1.00 1.23 O ATOM 764 CB GLU A 51 -4.223 -5.141 -6.832 1.00 54.22 C ATOM 765 CG GLU A 51 -3.799 -6.570 -6.541 1.00 10.11 C ATOM 766 CD GLU A 51 -4.793 -7.306 -5.663 1.00 21.25 C ATOM 767 OE1 GLU A 51 -5.164 -6.760 -4.602 1.00 43.42 O ATOM 768 OE2 GLU A 51 -5.198 -8.427 -6.035 1.00 1.34 O ATOM 0 H GLU A 51 -4.869 -3.012 -7.934 1.00 34.51 H new ATOM 0 HA GLU A 51 -5.269 -5.765 -8.603 1.00 72.21 H new ATOM 0 HB2 GLU A 51 -3.374 -4.596 -7.244 1.00 54.22 H new ATOM 0 HB3 GLU A 51 -4.491 -4.653 -5.895 1.00 54.22 H new ATOM 0 HG2 GLU A 51 -3.682 -7.109 -7.481 1.00 10.11 H new ATOM 0 HG3 GLU A 51 -2.824 -6.564 -6.053 1.00 10.11 H new ATOM 775 N PHE A 52 -7.114 -4.438 -6.194 1.00 31.22 N ATOM 776 CA PHE A 52 -8.343 -4.614 -5.428 1.00 51.05 C ATOM 777 C PHE A 52 -9.531 -3.989 -6.154 1.00 31.21 C ATOM 778 O PHE A 52 -10.645 -3.963 -5.635 1.00 15.41 O ATOM 779 CB PHE A 52 -8.196 -3.993 -4.037 1.00 44.44 C ATOM 780 CG PHE A 52 -7.019 -4.519 -3.267 1.00 41.45 C ATOM 781 CD1 PHE A 52 -7.119 -5.694 -2.539 1.00 4.32 C ATOM 782 CD2 PHE A 52 -5.812 -3.838 -3.271 1.00 43.14 C ATOM 783 CE1 PHE A 52 -6.036 -6.179 -1.830 1.00 73.30 C ATOM 784 CE2 PHE A 52 -4.726 -4.319 -2.564 1.00 34.21 C ATOM 785 CZ PHE A 52 -4.839 -5.491 -1.843 1.00 21.10 C ATOM 0 H PHE A 52 -6.613 -3.572 -5.994 1.00 31.22 H new ATOM 0 HA PHE A 52 -8.526 -5.683 -5.323 1.00 51.05 H new ATOM 0 HB2 PHE A 52 -8.100 -2.912 -4.139 1.00 44.44 H new ATOM 0 HB3 PHE A 52 -9.106 -4.180 -3.467 1.00 44.44 H new ATOM 0 HD1 PHE A 52 -8.053 -6.236 -2.525 1.00 4.32 H new ATOM 0 HD2 PHE A 52 -5.719 -2.921 -3.833 1.00 43.14 H new ATOM 0 HE1 PHE A 52 -6.126 -7.096 -1.266 1.00 73.30 H new ATOM 0 HE2 PHE A 52 -3.791 -3.779 -2.576 1.00 34.21 H new ATOM 0 HZ PHE A 52 -3.992 -5.869 -1.290 1.00 21.10 H new ATOM 795 N GLY A 53 -9.282 -3.486 -7.360 1.00 34.21 N ATOM 796 CA GLY A 53 -10.339 -2.867 -8.138 1.00 21.15 C ATOM 797 C GLY A 53 -11.088 -1.805 -7.357 1.00 4.43 C ATOM 798 O GLY A 53 -12.294 -1.632 -7.530 1.00 45.13 O ATOM 0 H GLY A 53 -8.367 -3.496 -7.811 1.00 34.21 H new ATOM 0 HA2 GLY A 53 -9.911 -2.420 -9.035 1.00 21.15 H new ATOM 0 HA3 GLY A 53 -11.040 -3.634 -8.467 1.00 21.15 H new ATOM 802 N ILE A 54 -10.370 -1.092 -6.495 1.00 14.43 N ATOM 803 CA ILE A 54 -10.975 -0.041 -5.685 1.00 0.11 C ATOM 804 C ILE A 54 -10.769 1.330 -6.321 1.00 22.21 C ATOM 805 O ILE A 54 -10.193 1.444 -7.402 1.00 23.04 O ATOM 806 CB ILE A 54 -10.394 -0.025 -4.259 1.00 64.30 C ATOM 807 CG1 ILE A 54 -8.868 0.078 -4.307 1.00 0.22 C ATOM 808 CG2 ILE A 54 -10.822 -1.272 -3.499 1.00 43.21 C ATOM 809 CD1 ILE A 54 -8.244 0.436 -2.976 1.00 51.32 C ATOM 0 H ILE A 54 -9.370 -1.223 -6.340 1.00 14.43 H new ATOM 0 HA ILE A 54 -12.042 -0.258 -5.632 1.00 0.11 H new ATOM 0 HB ILE A 54 -10.782 0.848 -3.735 1.00 64.30 H new ATOM 0 HG12 ILE A 54 -8.458 -0.873 -4.647 1.00 0.22 H new ATOM 0 HG13 ILE A 54 -8.586 0.829 -5.045 1.00 0.22 H new ATOM 0 HG21 ILE A 54 -10.404 -1.246 -2.493 1.00 43.21 H new ATOM 0 HG22 ILE A 54 -11.910 -1.306 -3.439 1.00 43.21 H new ATOM 0 HG23 ILE A 54 -10.460 -2.158 -4.020 1.00 43.21 H new ATOM 0 HD11 ILE A 54 -7.161 0.492 -3.085 1.00 51.32 H new ATOM 0 HD12 ILE A 54 -8.625 1.401 -2.643 1.00 51.32 H new ATOM 0 HD13 ILE A 54 -8.496 -0.327 -2.239 1.00 51.32 H new ATOM 821 N ASN A 55 -11.242 2.369 -5.640 1.00 22.21 N ATOM 822 CA ASN A 55 -11.109 3.734 -6.137 1.00 72.41 C ATOM 823 C ASN A 55 -10.650 4.675 -5.028 1.00 74.33 C ATOM 824 O ASN A 55 -11.410 4.988 -4.110 1.00 51.35 O ATOM 825 CB ASN A 55 -12.439 4.220 -6.716 1.00 35.21 C ATOM 826 CG ASN A 55 -13.212 3.109 -7.400 1.00 40.31 C ATOM 827 OD1 ASN A 55 -13.127 2.936 -8.617 1.00 33.13 O ATOM 828 ND2 ASN A 55 -13.973 2.349 -6.621 1.00 21.24 N ATOM 0 H ASN A 55 -11.721 2.292 -4.743 1.00 22.21 H new ATOM 0 HA ASN A 55 -10.355 3.735 -6.925 1.00 72.41 H new ATOM 0 HB2 ASN A 55 -13.047 4.643 -5.917 1.00 35.21 H new ATOM 0 HB3 ASN A 55 -12.250 5.021 -7.431 1.00 35.21 H new ATOM 0 HD21 ASN A 55 -14.516 1.587 -7.026 1.00 21.24 H new ATOM 0 HD22 ASN A 55 -14.014 2.527 -5.618 1.00 21.24 H new ATOM 835 N VAL A 56 -9.402 5.123 -5.117 1.00 20.21 N ATOM 836 CA VAL A 56 -8.841 6.030 -4.122 1.00 73.45 C ATOM 837 C VAL A 56 -7.806 6.958 -4.746 1.00 54.40 C ATOM 838 O VAL A 56 -7.075 6.567 -5.657 1.00 33.55 O ATOM 839 CB VAL A 56 -8.188 5.255 -2.963 1.00 24.32 C ATOM 840 CG1 VAL A 56 -7.099 4.329 -3.485 1.00 12.50 C ATOM 841 CG2 VAL A 56 -7.628 6.219 -1.928 1.00 25.31 C ATOM 0 H VAL A 56 -8.759 4.873 -5.869 1.00 20.21 H new ATOM 0 HA VAL A 56 -9.668 6.624 -3.732 1.00 73.45 H new ATOM 0 HB VAL A 56 -8.951 4.643 -2.482 1.00 24.32 H new ATOM 0 HG11 VAL A 56 -6.649 3.790 -2.651 1.00 12.50 H new ATOM 0 HG12 VAL A 56 -7.533 3.616 -4.186 1.00 12.50 H new ATOM 0 HG13 VAL A 56 -6.334 4.917 -3.992 1.00 12.50 H new ATOM 0 HG21 VAL A 56 -7.170 5.655 -1.116 1.00 25.31 H new ATOM 0 HG22 VAL A 56 -6.878 6.858 -2.394 1.00 25.31 H new ATOM 0 HG23 VAL A 56 -8.434 6.836 -1.532 1.00 25.31 H new ATOM 851 N ASP A 57 -7.751 8.190 -4.252 1.00 21.23 N ATOM 852 CA ASP A 57 -6.803 9.175 -4.760 1.00 73.12 C ATOM 853 C ASP A 57 -5.642 9.364 -3.788 1.00 15.12 C ATOM 854 O ASP A 57 -5.794 9.175 -2.582 1.00 0.23 O ATOM 855 CB ASP A 57 -7.506 10.513 -5.001 1.00 64.00 C ATOM 856 CG ASP A 57 -8.106 10.609 -6.390 1.00 51.00 C ATOM 857 OD1 ASP A 57 -7.370 10.376 -7.372 1.00 75.14 O ATOM 858 OD2 ASP A 57 -9.312 10.917 -6.495 1.00 20.50 O ATOM 0 H ASP A 57 -8.351 8.530 -3.501 1.00 21.23 H new ATOM 0 HA ASP A 57 -6.405 8.806 -5.705 1.00 73.12 H new ATOM 0 HB2 ASP A 57 -8.293 10.646 -4.258 1.00 64.00 H new ATOM 0 HB3 ASP A 57 -6.793 11.325 -4.859 1.00 64.00 H new ATOM 863 N GLU A 58 -4.484 9.737 -4.323 1.00 42.01 N ATOM 864 CA GLU A 58 -3.297 9.949 -3.503 1.00 40.52 C ATOM 865 C GLU A 58 -3.541 11.043 -2.467 1.00 33.30 C ATOM 866 O GLU A 58 -3.064 10.957 -1.335 1.00 2.23 O ATOM 867 CB GLU A 58 -2.102 10.323 -4.382 1.00 65.24 C ATOM 868 CG GLU A 58 -0.758 10.109 -3.706 1.00 51.15 C ATOM 869 CD GLU A 58 0.379 10.797 -4.437 1.00 53.23 C ATOM 870 OE1 GLU A 58 0.180 11.940 -4.900 1.00 74.40 O ATOM 871 OE2 GLU A 58 1.466 10.192 -4.547 1.00 55.51 O ATOM 0 H GLU A 58 -4.342 9.899 -5.320 1.00 42.01 H new ATOM 0 HA GLU A 58 -3.077 9.018 -2.980 1.00 40.52 H new ATOM 0 HB2 GLU A 58 -2.137 9.733 -5.298 1.00 65.24 H new ATOM 0 HB3 GLU A 58 -2.190 11.370 -4.674 1.00 65.24 H new ATOM 0 HG2 GLU A 58 -0.806 10.483 -2.683 1.00 51.15 H new ATOM 0 HG3 GLU A 58 -0.552 9.040 -3.645 1.00 51.15 H new ATOM 878 N ASP A 59 -4.285 12.069 -2.862 1.00 74.34 N ATOM 879 CA ASP A 59 -4.594 13.180 -1.968 1.00 71.34 C ATOM 880 C ASP A 59 -5.227 12.676 -0.674 1.00 53.51 C ATOM 881 O ASP A 59 -5.113 13.312 0.373 1.00 23.43 O ATOM 882 CB ASP A 59 -5.532 14.172 -2.657 1.00 72.34 C ATOM 883 CG ASP A 59 -4.864 14.894 -3.811 1.00 53.10 C ATOM 884 OD1 ASP A 59 -4.052 15.805 -3.549 1.00 52.00 O ATOM 885 OD2 ASP A 59 -5.155 14.548 -4.976 1.00 3.15 O ATOM 0 H ASP A 59 -4.686 12.155 -3.796 1.00 74.34 H new ATOM 0 HA ASP A 59 -3.661 13.686 -1.722 1.00 71.34 H new ATOM 0 HB2 ASP A 59 -6.411 13.642 -3.024 1.00 72.34 H new ATOM 0 HB3 ASP A 59 -5.882 14.903 -1.928 1.00 72.34 H new ATOM 890 N LYS A 60 -5.896 11.531 -0.756 1.00 3.05 N ATOM 891 CA LYS A 60 -6.547 10.941 0.407 1.00 22.43 C ATOM 892 C LYS A 60 -5.585 10.036 1.171 1.00 43.34 C ATOM 893 O LYS A 60 -5.740 9.822 2.372 1.00 20.14 O ATOM 894 CB LYS A 60 -7.780 10.143 -0.023 1.00 72.35 C ATOM 895 CG LYS A 60 -9.077 10.928 0.075 1.00 72.23 C ATOM 896 CD LYS A 60 -10.076 10.242 0.991 1.00 64.32 C ATOM 897 CE LYS A 60 -9.952 10.739 2.424 1.00 60.43 C ATOM 898 NZ LYS A 60 -11.208 10.527 3.195 1.00 10.44 N ATOM 0 H LYS A 60 -6.001 10.993 -1.616 1.00 3.05 H new ATOM 0 HA LYS A 60 -6.857 11.751 1.067 1.00 22.43 H new ATOM 0 HB2 LYS A 60 -7.645 9.808 -1.051 1.00 72.35 H new ATOM 0 HB3 LYS A 60 -7.858 9.249 0.596 1.00 72.35 H new ATOM 0 HG2 LYS A 60 -8.869 11.931 0.448 1.00 72.23 H new ATOM 0 HG3 LYS A 60 -9.511 11.041 -0.919 1.00 72.23 H new ATOM 0 HD2 LYS A 60 -11.088 10.423 0.628 1.00 64.32 H new ATOM 0 HD3 LYS A 60 -9.916 9.164 0.964 1.00 64.32 H new ATOM 0 HE2 LYS A 60 -9.130 10.221 2.918 1.00 60.43 H new ATOM 0 HE3 LYS A 60 -9.703 11.800 2.420 1.00 60.43 H new ATOM 0 HZ1 LYS A 60 -11.083 10.879 4.166 1.00 10.44 H new ATOM 0 HZ2 LYS A 60 -11.987 11.042 2.738 1.00 10.44 H new ATOM 0 HZ3 LYS A 60 -11.432 9.512 3.221 1.00 10.44 H new ATOM 912 N ALA A 61 -4.590 9.510 0.464 1.00 64.14 N ATOM 913 CA ALA A 61 -3.600 8.631 1.076 1.00 42.24 C ATOM 914 C ALA A 61 -2.345 9.405 1.466 1.00 14.25 C ATOM 915 O ALA A 61 -1.248 8.850 1.500 1.00 73.13 O ATOM 916 CB ALA A 61 -3.247 7.494 0.129 1.00 44.43 C ATOM 0 H ALA A 61 -4.448 9.677 -0.532 1.00 64.14 H new ATOM 0 HA ALA A 61 -4.034 8.212 1.984 1.00 42.24 H new ATOM 0 HB1 ALA A 61 -2.507 6.846 0.599 1.00 44.43 H new ATOM 0 HB2 ALA A 61 -4.144 6.917 -0.097 1.00 44.43 H new ATOM 0 HB3 ALA A 61 -2.837 7.903 -0.794 1.00 44.43 H new ATOM 922 N GLN A 62 -2.516 10.691 1.759 1.00 72.51 N ATOM 923 CA GLN A 62 -1.396 11.540 2.146 1.00 13.42 C ATOM 924 C GLN A 62 -0.867 11.152 3.522 1.00 62.12 C ATOM 925 O GLN A 62 0.337 10.977 3.708 1.00 11.12 O ATOM 926 CB GLN A 62 -1.822 13.010 2.147 1.00 4.42 C ATOM 927 CG GLN A 62 -2.063 13.575 0.756 1.00 43.04 C ATOM 928 CD GLN A 62 -0.804 14.139 0.129 1.00 40.54 C ATOM 929 OE1 GLN A 62 -0.167 15.035 0.683 1.00 35.34 O ATOM 930 NE2 GLN A 62 -0.437 13.616 -1.036 1.00 14.21 N ATOM 0 H GLN A 62 -3.418 11.166 1.736 1.00 72.51 H new ATOM 0 HA GLN A 62 -0.597 11.399 1.418 1.00 13.42 H new ATOM 0 HB2 GLN A 62 -2.733 13.115 2.736 1.00 4.42 H new ATOM 0 HB3 GLN A 62 -1.053 13.602 2.642 1.00 4.42 H new ATOM 0 HG2 GLN A 62 -2.464 12.791 0.114 1.00 43.04 H new ATOM 0 HG3 GLN A 62 -2.819 14.358 0.812 1.00 43.04 H new ATOM 0 HE21 GLN A 62 -0.994 12.874 -1.460 1.00 14.21 H new ATOM 0 HE22 GLN A 62 0.402 13.956 -1.506 1.00 14.21 H new ATOM 939 N ASP A 63 -1.774 11.016 4.483 1.00 15.43 N ATOM 940 CA ASP A 63 -1.399 10.647 5.842 1.00 21.50 C ATOM 941 C ASP A 63 -0.666 9.310 5.859 1.00 62.21 C ATOM 942 O ASP A 63 0.112 9.029 6.771 1.00 32.43 O ATOM 943 CB ASP A 63 -2.639 10.574 6.735 1.00 41.33 C ATOM 944 CG ASP A 63 -3.459 11.849 6.693 1.00 52.24 C ATOM 945 OD1 ASP A 63 -3.044 12.842 7.326 1.00 22.41 O ATOM 946 OD2 ASP A 63 -4.515 11.854 6.027 1.00 60.42 O ATOM 0 H ASP A 63 -2.775 11.156 4.345 1.00 15.43 H new ATOM 0 HA ASP A 63 -0.728 11.414 6.228 1.00 21.50 H new ATOM 0 HB2 ASP A 63 -3.260 9.735 6.421 1.00 41.33 H new ATOM 0 HB3 ASP A 63 -2.332 10.376 7.762 1.00 41.33 H new ATOM 951 N ILE A 64 -0.920 8.489 4.846 1.00 72.32 N ATOM 952 CA ILE A 64 -0.284 7.181 4.745 1.00 52.53 C ATOM 953 C ILE A 64 1.230 7.294 4.882 1.00 23.05 C ATOM 954 O ILE A 64 1.874 8.056 4.161 1.00 75.10 O ATOM 955 CB ILE A 64 -0.618 6.495 3.407 1.00 4.21 C ATOM 956 CG1 ILE A 64 -2.133 6.381 3.230 1.00 14.03 C ATOM 957 CG2 ILE A 64 0.034 5.121 3.339 1.00 35.23 C ATOM 958 CD1 ILE A 64 -2.806 5.553 4.302 1.00 63.50 C ATOM 0 H ILE A 64 -1.562 8.706 4.083 1.00 72.32 H new ATOM 0 HA ILE A 64 -0.676 6.575 5.562 1.00 52.53 H new ATOM 0 HB ILE A 64 -0.222 7.105 2.595 1.00 4.21 H new ATOM 0 HG12 ILE A 64 -2.567 7.381 3.229 1.00 14.03 H new ATOM 0 HG13 ILE A 64 -2.345 5.941 2.256 1.00 14.03 H new ATOM 0 HG21 ILE A 64 -0.211 4.649 2.388 1.00 35.23 H new ATOM 0 HG22 ILE A 64 1.116 5.227 3.423 1.00 35.23 H new ATOM 0 HG23 ILE A 64 -0.335 4.502 4.157 1.00 35.23 H new ATOM 0 HD11 ILE A 64 -3.879 5.515 4.113 1.00 63.50 H new ATOM 0 HD12 ILE A 64 -2.400 4.542 4.289 1.00 63.50 H new ATOM 0 HD13 ILE A 64 -2.625 6.004 5.278 1.00 63.50 H new ATOM 970 N SER A 65 1.793 6.529 5.812 1.00 22.11 N ATOM 971 CA SER A 65 3.233 6.545 6.045 1.00 22.11 C ATOM 972 C SER A 65 3.805 5.131 6.004 1.00 23.14 C ATOM 973 O SER A 65 4.898 4.905 5.484 1.00 1.20 O ATOM 974 CB SER A 65 3.545 7.194 7.395 1.00 44.23 C ATOM 975 OG SER A 65 4.834 7.780 7.392 1.00 1.54 O ATOM 0 H SER A 65 1.275 5.891 6.416 1.00 22.11 H new ATOM 0 HA SER A 65 3.698 7.130 5.252 1.00 22.11 H new ATOM 0 HB2 SER A 65 2.797 7.954 7.618 1.00 44.23 H new ATOM 0 HB3 SER A 65 3.484 6.445 8.185 1.00 44.23 H new ATOM 0 HG SER A 65 5.009 8.190 8.265 1.00 1.54 H new ATOM 981 N THR A 66 3.058 4.180 6.557 1.00 32.01 N ATOM 982 CA THR A 66 3.489 2.788 6.586 1.00 1.23 C ATOM 983 C THR A 66 2.549 1.905 5.775 1.00 63.33 C ATOM 984 O THR A 66 1.441 2.315 5.428 1.00 1.42 O ATOM 985 CB THR A 66 3.564 2.253 8.027 1.00 31.44 C ATOM 986 OG1 THR A 66 2.244 2.051 8.544 1.00 31.11 O ATOM 987 CG2 THR A 66 4.322 3.219 8.925 1.00 0.13 C ATOM 0 H THR A 66 2.151 4.349 6.991 1.00 32.01 H new ATOM 0 HA THR A 66 4.485 2.756 6.143 1.00 1.23 H new ATOM 0 HB THR A 66 4.097 1.303 8.010 1.00 31.44 H new ATOM 0 HG1 THR A 66 2.300 1.709 9.461 1.00 31.11 H new ATOM 0 HG21 THR A 66 4.362 2.819 9.938 1.00 0.13 H new ATOM 0 HG22 THR A 66 5.336 3.349 8.546 1.00 0.13 H new ATOM 0 HG23 THR A 66 3.812 4.182 8.935 1.00 0.13 H new ATOM 995 N ILE A 67 2.996 0.689 5.477 1.00 32.43 N ATOM 996 CA ILE A 67 2.192 -0.253 4.709 1.00 21.21 C ATOM 997 C ILE A 67 0.806 -0.422 5.322 1.00 22.21 C ATOM 998 O ILE A 67 -0.204 -0.357 4.623 1.00 22.03 O ATOM 999 CB ILE A 67 2.873 -1.632 4.620 1.00 22.13 C ATOM 1000 CG1 ILE A 67 4.274 -1.496 4.019 1.00 74.03 C ATOM 1001 CG2 ILE A 67 2.027 -2.588 3.793 1.00 31.40 C ATOM 1002 CD1 ILE A 67 4.277 -0.928 2.617 1.00 55.33 C ATOM 0 H ILE A 67 3.911 0.334 5.756 1.00 32.43 H new ATOM 0 HA ILE A 67 2.094 0.161 3.705 1.00 21.21 H new ATOM 0 HB ILE A 67 2.968 -2.039 5.627 1.00 22.13 H new ATOM 0 HG12 ILE A 67 4.876 -0.855 4.663 1.00 74.03 H new ATOM 0 HG13 ILE A 67 4.752 -2.476 4.007 1.00 74.03 H new ATOM 0 HG21 ILE A 67 2.521 -3.558 3.739 1.00 31.40 H new ATOM 0 HG22 ILE A 67 1.049 -2.705 4.259 1.00 31.40 H new ATOM 0 HG23 ILE A 67 1.904 -2.187 2.787 1.00 31.40 H new ATOM 0 HD11 ILE A 67 5.303 -0.860 2.254 1.00 55.33 H new ATOM 0 HD12 ILE A 67 3.702 -1.580 1.959 1.00 55.33 H new ATOM 0 HD13 ILE A 67 3.828 0.065 2.626 1.00 55.33 H new ATOM 1014 N GLN A 68 0.768 -0.635 6.634 1.00 44.25 N ATOM 1015 CA GLN A 68 -0.494 -0.812 7.341 1.00 34.31 C ATOM 1016 C GLN A 68 -1.445 0.346 7.055 1.00 73.13 C ATOM 1017 O GLN A 68 -2.617 0.135 6.739 1.00 24.34 O ATOM 1018 CB GLN A 68 -0.248 -0.924 8.847 1.00 72.12 C ATOM 1019 CG GLN A 68 -0.200 -2.357 9.351 1.00 72.04 C ATOM 1020 CD GLN A 68 -1.557 -2.864 9.800 1.00 1.32 C ATOM 1021 OE1 GLN A 68 -2.452 -3.087 8.844 1.00 75.04 O flip ATOM 1022 NE2 GLN A 68 -1.797 -3.054 10.993 1.00 31.14 N flip ATOM 0 H GLN A 68 1.596 -0.689 7.227 1.00 44.25 H new ATOM 0 HA GLN A 68 -0.954 -1.734 6.985 1.00 34.31 H new ATOM 0 HB2 GLN A 68 0.693 -0.430 9.091 1.00 72.12 H new ATOM 0 HB3 GLN A 68 -1.036 -0.388 9.376 1.00 72.12 H new ATOM 0 HG2 GLN A 68 0.182 -3.003 8.561 1.00 72.04 H new ATOM 0 HG3 GLN A 68 0.501 -2.422 10.183 1.00 72.04 H new ATOM 0 HE21 GLN A 68 -1.079 -2.869 11.693 1.00 31.14 H new ATOM 0 HE22 GLN A 68 -2.714 -3.396 11.281 1.00 31.14 H new ATOM 1031 N GLN A 69 -0.934 1.567 7.167 1.00 33.23 N ATOM 1032 CA GLN A 69 -1.739 2.757 6.921 1.00 12.32 C ATOM 1033 C GLN A 69 -2.418 2.682 5.557 1.00 14.30 C ATOM 1034 O GLN A 69 -3.600 2.998 5.423 1.00 15.45 O ATOM 1035 CB GLN A 69 -0.870 4.013 7.002 1.00 3.32 C ATOM 1036 CG GLN A 69 -0.132 4.158 8.323 1.00 23.05 C ATOM 1037 CD GLN A 69 -1.017 4.697 9.430 1.00 1.51 C ATOM 1038 OE1 GLN A 69 -2.098 5.227 9.172 1.00 41.21 O ATOM 1039 NE2 GLN A 69 -0.561 4.565 10.670 1.00 71.45 N ATOM 0 H GLN A 69 0.034 1.758 7.426 1.00 33.23 H new ATOM 0 HA GLN A 69 -2.511 2.808 7.689 1.00 12.32 H new ATOM 0 HB2 GLN A 69 -0.144 3.995 6.190 1.00 3.32 H new ATOM 0 HB3 GLN A 69 -1.499 4.890 6.848 1.00 3.32 H new ATOM 0 HG2 GLN A 69 0.266 3.188 8.621 1.00 23.05 H new ATOM 0 HG3 GLN A 69 0.720 4.824 8.188 1.00 23.05 H new ATOM 0 HE21 GLN A 69 0.341 4.119 10.837 1.00 71.45 H new ATOM 0 HE22 GLN A 69 -1.113 4.910 11.456 1.00 71.45 H new ATOM 1048 N ALA A 70 -1.663 2.263 4.548 1.00 41.25 N ATOM 1049 CA ALA A 70 -2.193 2.144 3.195 1.00 52.40 C ATOM 1050 C ALA A 70 -3.157 0.968 3.084 1.00 45.25 C ATOM 1051 O ALA A 70 -4.066 0.974 2.254 1.00 30.24 O ATOM 1052 CB ALA A 70 -1.057 1.995 2.194 1.00 23.44 C ATOM 0 H ALA A 70 -0.682 2.000 4.641 1.00 41.25 H new ATOM 0 HA ALA A 70 -2.746 3.055 2.967 1.00 52.40 H new ATOM 0 HB1 ALA A 70 -1.468 1.907 1.188 1.00 23.44 H new ATOM 0 HB2 ALA A 70 -0.409 2.870 2.246 1.00 23.44 H new ATOM 0 HB3 ALA A 70 -0.479 1.101 2.429 1.00 23.44 H new ATOM 1058 N ALA A 71 -2.951 -0.041 3.923 1.00 73.11 N ATOM 1059 CA ALA A 71 -3.803 -1.224 3.920 1.00 11.32 C ATOM 1060 C ALA A 71 -5.164 -0.922 4.537 1.00 25.13 C ATOM 1061 O ALA A 71 -6.172 -1.523 4.164 1.00 21.45 O ATOM 1062 CB ALA A 71 -3.124 -2.365 4.664 1.00 14.32 C ATOM 0 H ALA A 71 -2.201 -0.063 4.614 1.00 73.11 H new ATOM 0 HA ALA A 71 -3.962 -1.524 2.884 1.00 11.32 H new ATOM 0 HB1 ALA A 71 -3.771 -3.242 4.654 1.00 14.32 H new ATOM 0 HB2 ALA A 71 -2.179 -2.606 4.177 1.00 14.32 H new ATOM 0 HB3 ALA A 71 -2.935 -2.066 5.695 1.00 14.32 H new ATOM 1068 N ASP A 72 -5.186 0.010 5.483 1.00 42.22 N ATOM 1069 CA ASP A 72 -6.424 0.392 6.152 1.00 30.32 C ATOM 1070 C ASP A 72 -7.331 1.179 5.212 1.00 64.05 C ATOM 1071 O ASP A 72 -8.521 0.888 5.093 1.00 4.30 O ATOM 1072 CB ASP A 72 -6.118 1.223 7.400 1.00 75.44 C ATOM 1073 CG ASP A 72 -7.327 1.998 7.888 1.00 0.03 C ATOM 1074 OD1 ASP A 72 -8.195 1.390 8.548 1.00 1.14 O ATOM 1075 OD2 ASP A 72 -7.404 3.214 7.609 1.00 51.04 O ATOM 0 H ASP A 72 -4.360 0.515 5.804 1.00 42.22 H new ATOM 0 HA ASP A 72 -6.943 -0.519 6.449 1.00 30.32 H new ATOM 0 HB2 ASP A 72 -5.767 0.565 8.195 1.00 75.44 H new ATOM 0 HB3 ASP A 72 -5.308 1.919 7.181 1.00 75.44 H new ATOM 1080 N VAL A 73 -6.759 2.176 4.544 1.00 22.51 N ATOM 1081 CA VAL A 73 -7.516 3.005 3.613 1.00 24.13 C ATOM 1082 C VAL A 73 -8.188 2.154 2.542 1.00 11.40 C ATOM 1083 O VAL A 73 -9.326 2.416 2.151 1.00 42.24 O ATOM 1084 CB VAL A 73 -6.613 4.050 2.931 1.00 13.31 C ATOM 1085 CG1 VAL A 73 -7.413 4.885 1.943 1.00 70.43 C ATOM 1086 CG2 VAL A 73 -5.946 4.937 3.972 1.00 21.11 C ATOM 0 H VAL A 73 -5.775 2.429 4.630 1.00 22.51 H new ATOM 0 HA VAL A 73 -8.280 3.520 4.196 1.00 24.13 H new ATOM 0 HB VAL A 73 -5.833 3.525 2.379 1.00 13.31 H new ATOM 0 HG11 VAL A 73 -6.758 5.617 1.471 1.00 70.43 H new ATOM 0 HG12 VAL A 73 -7.840 4.235 1.179 1.00 70.43 H new ATOM 0 HG13 VAL A 73 -8.215 5.402 2.469 1.00 70.43 H new ATOM 0 HG21 VAL A 73 -5.312 5.670 3.473 1.00 21.11 H new ATOM 0 HG22 VAL A 73 -6.710 5.454 4.553 1.00 21.11 H new ATOM 0 HG23 VAL A 73 -5.338 4.324 4.637 1.00 21.11 H new ATOM 1096 N ILE A 74 -7.477 1.135 2.070 1.00 72.30 N ATOM 1097 CA ILE A 74 -8.006 0.245 1.044 1.00 31.41 C ATOM 1098 C ILE A 74 -9.191 -0.558 1.571 1.00 13.34 C ATOM 1099 O ILE A 74 -10.273 -0.544 0.984 1.00 3.31 O ATOM 1100 CB ILE A 74 -6.928 -0.728 0.533 1.00 53.12 C ATOM 1101 CG1 ILE A 74 -5.748 0.047 -0.055 1.00 44.00 C ATOM 1102 CG2 ILE A 74 -7.517 -1.674 -0.503 1.00 11.10 C ATOM 1103 CD1 ILE A 74 -4.455 -0.738 -0.070 1.00 51.04 C ATOM 0 H ILE A 74 -6.533 0.906 2.382 1.00 72.30 H new ATOM 0 HA ILE A 74 -8.336 0.876 0.218 1.00 31.41 H new ATOM 0 HB ILE A 74 -6.566 -1.320 1.373 1.00 53.12 H new ATOM 0 HG12 ILE A 74 -5.993 0.347 -1.074 1.00 44.00 H new ATOM 0 HG13 ILE A 74 -5.602 0.961 0.520 1.00 44.00 H new ATOM 0 HG21 ILE A 74 -6.743 -2.356 -0.855 1.00 11.10 H new ATOM 0 HG22 ILE A 74 -8.328 -2.247 -0.053 1.00 11.10 H new ATOM 0 HG23 ILE A 74 -7.903 -1.098 -1.344 1.00 11.10 H new ATOM 0 HD11 ILE A 74 -3.663 -0.126 -0.500 1.00 51.04 H new ATOM 0 HD12 ILE A 74 -4.186 -1.016 0.949 1.00 51.04 H new ATOM 0 HD13 ILE A 74 -4.583 -1.639 -0.670 1.00 51.04 H new ATOM 1115 N GLU A 75 -8.979 -1.255 2.683 1.00 30.20 N ATOM 1116 CA GLU A 75 -10.031 -2.063 3.289 1.00 32.44 C ATOM 1117 C GLU A 75 -11.300 -1.240 3.494 1.00 40.44 C ATOM 1118 O GLU A 75 -12.411 -1.761 3.405 1.00 0.34 O ATOM 1119 CB GLU A 75 -9.558 -2.633 4.629 1.00 51.14 C ATOM 1120 CG GLU A 75 -8.449 -3.663 4.494 1.00 51.23 C ATOM 1121 CD GLU A 75 -8.977 -5.081 4.402 1.00 54.31 C ATOM 1122 OE1 GLU A 75 -9.546 -5.568 5.401 1.00 30.44 O ATOM 1123 OE2 GLU A 75 -8.821 -5.704 3.330 1.00 33.11 O ATOM 0 H GLU A 75 -8.090 -1.276 3.182 1.00 30.20 H new ATOM 0 HA GLU A 75 -10.258 -2.886 2.611 1.00 32.44 H new ATOM 0 HB2 GLU A 75 -9.208 -1.815 5.259 1.00 51.14 H new ATOM 0 HB3 GLU A 75 -10.406 -3.089 5.140 1.00 51.14 H new ATOM 0 HG2 GLU A 75 -7.858 -3.441 3.605 1.00 51.23 H new ATOM 0 HG3 GLU A 75 -7.779 -3.584 5.350 1.00 51.23 H new ATOM 1130 N GLY A 76 -11.124 0.049 3.769 1.00 64.22 N ATOM 1131 CA GLY A 76 -12.262 0.924 3.983 1.00 62.24 C ATOM 1132 C GLY A 76 -13.215 0.935 2.803 1.00 4.34 C ATOM 1133 O GLY A 76 -14.429 1.049 2.976 1.00 10.33 O ATOM 0 H GLY A 76 -10.214 0.503 3.847 1.00 64.22 H new ATOM 0 HA2 GLY A 76 -12.799 0.605 4.877 1.00 62.24 H new ATOM 0 HA3 GLY A 76 -11.907 1.938 4.169 1.00 62.24 H new ATOM 1137 N LEU A 77 -12.664 0.818 1.599 1.00 10.44 N ATOM 1138 CA LEU A 77 -13.472 0.817 0.385 1.00 31.11 C ATOM 1139 C LEU A 77 -14.129 -0.542 0.170 1.00 55.45 C ATOM 1140 O LEU A 77 -15.286 -0.625 -0.248 1.00 64.23 O ATOM 1141 CB LEU A 77 -12.609 1.177 -0.826 1.00 73.43 C ATOM 1142 CG LEU A 77 -11.846 2.498 -0.736 1.00 4.44 C ATOM 1143 CD1 LEU A 77 -10.761 2.560 -1.801 1.00 22.25 C ATOM 1144 CD2 LEU A 77 -12.798 3.677 -0.874 1.00 51.04 C ATOM 0 H LEU A 77 -11.661 0.723 1.438 1.00 10.44 H new ATOM 0 HA LEU A 77 -14.256 1.565 0.499 1.00 31.11 H new ATOM 0 HB2 LEU A 77 -11.889 0.374 -0.985 1.00 73.43 H new ATOM 0 HB3 LEU A 77 -13.250 1.210 -1.707 1.00 73.43 H new ATOM 0 HG LEU A 77 -11.371 2.554 0.243 1.00 4.44 H new ATOM 0 HD11 LEU A 77 -10.228 3.507 -1.722 1.00 22.25 H new ATOM 0 HD12 LEU A 77 -10.062 1.737 -1.656 1.00 22.25 H new ATOM 0 HD13 LEU A 77 -11.216 2.480 -2.789 1.00 22.25 H new ATOM 0 HD21 LEU A 77 -12.236 4.608 -0.807 1.00 51.04 H new ATOM 0 HD22 LEU A 77 -13.303 3.626 -1.839 1.00 51.04 H new ATOM 0 HD23 LEU A 77 -13.538 3.642 -0.075 1.00 51.04 H new ATOM 1156 N LEU A 78 -13.387 -1.606 0.459 1.00 14.34 N ATOM 1157 CA LEU A 78 -13.898 -2.962 0.299 1.00 33.14 C ATOM 1158 C LEU A 78 -15.245 -3.122 0.997 1.00 52.25 C ATOM 1159 O LEU A 78 -16.178 -3.696 0.438 1.00 72.53 O ATOM 1160 CB LEU A 78 -12.897 -3.974 0.860 1.00 45.24 C ATOM 1161 CG LEU A 78 -11.792 -4.425 -0.097 1.00 71.13 C ATOM 1162 CD1 LEU A 78 -12.334 -5.425 -1.106 1.00 71.43 C ATOM 1163 CD2 LEU A 78 -11.181 -3.227 -0.808 1.00 11.34 C ATOM 0 H LEU A 78 -12.429 -1.555 0.806 1.00 14.34 H new ATOM 0 HA LEU A 78 -14.037 -3.149 -0.766 1.00 33.14 H new ATOM 0 HB2 LEU A 78 -12.430 -3.541 1.745 1.00 45.24 H new ATOM 0 HB3 LEU A 78 -13.447 -4.855 1.189 1.00 45.24 H new ATOM 0 HG LEU A 78 -11.012 -4.914 0.486 1.00 71.13 H new ATOM 0 HD11 LEU A 78 -11.533 -5.734 -1.778 1.00 71.43 H new ATOM 0 HD12 LEU A 78 -12.724 -6.297 -0.581 1.00 71.43 H new ATOM 0 HD13 LEU A 78 -13.134 -4.962 -1.684 1.00 71.43 H new ATOM 0 HD21 LEU A 78 -10.397 -3.567 -1.485 1.00 11.34 H new ATOM 0 HD22 LEU A 78 -11.953 -2.709 -1.378 1.00 11.34 H new ATOM 0 HD23 LEU A 78 -10.755 -2.545 -0.072 1.00 11.34 H new ATOM 1175 N GLU A 79 -15.337 -2.608 2.220 1.00 55.25 N ATOM 1176 CA GLU A 79 -16.571 -2.694 2.992 1.00 41.43 C ATOM 1177 C GLU A 79 -17.676 -1.864 2.346 1.00 40.34 C ATOM 1178 O GLU A 79 -18.859 -2.188 2.458 1.00 4.24 O ATOM 1179 CB GLU A 79 -16.335 -2.218 4.427 1.00 5.21 C ATOM 1180 CG GLU A 79 -15.663 -3.257 5.310 1.00 44.52 C ATOM 1181 CD GLU A 79 -15.903 -3.011 6.786 1.00 41.40 C ATOM 1182 OE1 GLU A 79 -17.081 -2.946 7.194 1.00 72.31 O ATOM 1183 OE2 GLU A 79 -14.911 -2.884 7.534 1.00 34.34 O ATOM 0 H GLU A 79 -14.573 -2.129 2.696 1.00 55.25 H new ATOM 0 HA GLU A 79 -16.886 -3.737 3.009 1.00 41.43 H new ATOM 0 HB2 GLU A 79 -15.720 -1.319 4.406 1.00 5.21 H new ATOM 0 HB3 GLU A 79 -17.291 -1.940 4.871 1.00 5.21 H new ATOM 0 HG2 GLU A 79 -16.034 -4.247 5.046 1.00 44.52 H new ATOM 0 HG3 GLU A 79 -14.591 -3.255 5.115 1.00 44.52 H new ATOM 1190 N LYS A 80 -17.283 -0.790 1.668 1.00 65.34 N ATOM 1191 CA LYS A 80 -18.238 0.088 1.003 1.00 64.04 C ATOM 1192 C LYS A 80 -19.072 -0.687 -0.013 1.00 41.10 C ATOM 1193 O LYS A 80 -20.289 -0.519 -0.089 1.00 52.42 O ATOM 1194 CB LYS A 80 -17.506 1.237 0.306 1.00 72.10 C ATOM 1195 CG LYS A 80 -18.350 2.490 0.150 1.00 1.34 C ATOM 1196 CD LYS A 80 -17.669 3.514 -0.743 1.00 23.41 C ATOM 1197 CE LYS A 80 -18.607 4.658 -1.094 1.00 42.41 C ATOM 1198 NZ LYS A 80 -18.285 5.252 -2.422 1.00 23.43 N ATOM 0 H LYS A 80 -16.308 -0.507 1.565 1.00 65.34 H new ATOM 0 HA LYS A 80 -18.906 0.497 1.761 1.00 64.04 H new ATOM 0 HB2 LYS A 80 -16.608 1.482 0.874 1.00 72.10 H new ATOM 0 HB3 LYS A 80 -17.179 0.904 -0.679 1.00 72.10 H new ATOM 0 HG2 LYS A 80 -19.320 2.226 -0.272 1.00 1.34 H new ATOM 0 HG3 LYS A 80 -18.537 2.928 1.130 1.00 1.34 H new ATOM 0 HD2 LYS A 80 -16.786 3.907 -0.240 1.00 23.41 H new ATOM 0 HD3 LYS A 80 -17.326 3.030 -1.657 1.00 23.41 H new ATOM 0 HE2 LYS A 80 -19.635 4.296 -1.098 1.00 42.41 H new ATOM 0 HE3 LYS A 80 -18.543 5.429 -0.326 1.00 42.41 H new ATOM 0 HZ1 LYS A 80 -18.947 6.028 -2.625 1.00 23.43 H new ATOM 0 HZ2 LYS A 80 -17.312 5.620 -2.411 1.00 23.43 H new ATOM 0 HZ3 LYS A 80 -18.371 4.523 -3.159 1.00 23.43 H new ATOM 1212 N LYS A 81 -18.410 -1.537 -0.790 1.00 51.54 N ATOM 1213 CA LYS A 81 -19.090 -2.340 -1.800 1.00 72.43 C ATOM 1214 C LYS A 81 -19.712 -3.586 -1.176 1.00 32.13 C ATOM 1215 O LYS A 81 -20.758 -4.057 -1.620 1.00 74.30 O ATOM 1216 CB LYS A 81 -18.111 -2.745 -2.904 1.00 11.45 C ATOM 1217 CG LYS A 81 -16.936 -3.566 -2.403 1.00 42.33 C ATOM 1218 CD LYS A 81 -16.092 -4.091 -3.553 1.00 72.14 C ATOM 1219 CE LYS A 81 -14.641 -4.278 -3.140 1.00 61.24 C ATOM 1220 NZ LYS A 81 -13.835 -3.048 -3.371 1.00 40.23 N ATOM 0 H LYS A 81 -17.402 -1.688 -0.740 1.00 51.54 H new ATOM 0 HA LYS A 81 -19.886 -1.735 -2.233 1.00 72.43 H new ATOM 0 HB2 LYS A 81 -18.647 -3.317 -3.661 1.00 11.45 H new ATOM 0 HB3 LYS A 81 -17.734 -1.846 -3.391 1.00 11.45 H new ATOM 0 HG2 LYS A 81 -16.317 -2.955 -1.746 1.00 42.33 H new ATOM 0 HG3 LYS A 81 -17.303 -4.402 -1.808 1.00 42.33 H new ATOM 0 HD2 LYS A 81 -16.498 -5.041 -3.899 1.00 72.14 H new ATOM 0 HD3 LYS A 81 -16.146 -3.397 -4.392 1.00 72.14 H new ATOM 0 HE2 LYS A 81 -14.596 -4.549 -2.085 1.00 61.24 H new ATOM 0 HE3 LYS A 81 -14.208 -5.106 -3.701 1.00 61.24 H new ATOM 0 HZ1 LYS A 81 -12.828 -3.260 -3.222 1.00 40.23 H new ATOM 0 HZ2 LYS A 81 -13.979 -2.717 -4.346 1.00 40.23 H new ATOM 0 HZ3 LYS A 81 -14.134 -2.307 -2.706 1.00 40.23 H new ATOM 1234 N ALA A 82 -19.062 -4.112 -0.143 1.00 13.41 N ATOM 1235 CA ALA A 82 -19.554 -5.300 0.544 1.00 43.22 C ATOM 1236 C ALA A 82 -19.662 -5.060 2.047 1.00 44.44 C ATOM 1237 O ALA A 82 -20.366 -5.784 2.750 1.00 23.40 O ATOM 1238 CB ALA A 82 -18.644 -6.486 0.262 1.00 62.14 C ATOM 0 H ALA A 82 -18.194 -3.734 0.236 1.00 13.41 H new ATOM 0 HA ALA A 82 -20.552 -5.522 0.165 1.00 43.22 H new ATOM 0 HB1 ALA A 82 -19.023 -7.367 0.781 1.00 62.14 H new ATOM 0 HB2 ALA A 82 -18.620 -6.679 -0.810 1.00 62.14 H new ATOM 0 HB3 ALA A 82 -17.636 -6.263 0.613 1.00 62.14 H new TER 1244 ALA A 82