USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 20 ASN : amide:sc= 1.04 K(o=2.3,f=-5.5!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 17 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -29:sc= 0.33 USER MOD Single : A 6 GLN : amide:sc= -0.542 K(o=-0.54,f=-5.5!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -74:sc= 0.496 USER MOD Single : A 10 ASN : amide:sc= 0.954 K(o=0.95,f=-3.2!) USER MOD Single : A 21 THR OG1 : rot 59:sc= 0.182 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc=-0.00561 K(o=-0.0056,f=-0.54) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 136:sc= 0.953 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.28) USER MOD Single : A 49 THR OG1 : rot 62:sc= 0.929 USER MOD Single : A 52 LYS NZ :NH3+ -119:sc= 1.24 (180deg=0.531) USER MOD Single : A 53 SER OG : rot 66:sc= 0.253 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.64) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0728 X(o=-0.073,f=-0.061) USER MOD Single : A 79 TYR OH : rot -130:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -110:sc= 0.353 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0962 X(o=-0.096,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.474 -14.354 0.626 1.00 -0.26 N ATOM 2 CA ALA A 1 8.351 -14.092 2.089 1.00 0.04 C ATOM 3 C ALA A 1 7.373 -12.964 2.366 1.00 0.62 C ATOM 4 O ALA A 1 7.710 -12.002 3.033 1.00 -0.50 O ATOM 5 CB ALA A 1 9.750 -13.869 2.749 1.00 -0.10 C ATOM 0 H1 ALA A 1 9.149 -15.129 0.468 1.00 -0.26 H new ATOM 0 H2 ALA A 1 7.545 -14.620 0.242 1.00 -0.26 H new ATOM 0 H3 ALA A 1 8.814 -13.496 0.147 1.00 -0.26 H new ATOM 0 HA ALA A 1 7.933 -14.981 2.560 1.00 0.04 H new ATOM 0 HB1 ALA A 1 9.623 -13.681 3.815 1.00 -0.10 H new ATOM 0 HB2 ALA A 1 10.365 -14.758 2.608 1.00 -0.10 H new ATOM 0 HB3 ALA A 1 10.239 -13.012 2.285 1.00 -0.10 H new ATOM 13 N ILE A 2 6.138 -13.069 1.835 1.00 -0.46 N ATOM 14 CA ILE A 2 5.160 -11.981 1.938 1.00 0.04 C ATOM 15 C ILE A 2 4.479 -12.021 3.284 1.00 0.62 C ATOM 16 O ILE A 2 4.183 -13.102 3.766 1.00 -0.50 O ATOM 17 CB ILE A 2 4.050 -11.857 0.832 1.00 -0.01 C ATOM 18 CG1 ILE A 2 3.778 -13.175 0.036 1.00 -0.05 C ATOM 19 CG2 ILE A 2 4.367 -10.652 -0.109 1.00 -0.09 C ATOM 20 CD1 ILE A 2 3.207 -14.358 0.867 1.00 -0.09 C ATOM 0 H ILE A 2 5.801 -13.892 1.335 1.00 -0.46 H new ATOM 0 HA ILE A 2 5.786 -11.101 1.787 1.00 0.04 H new ATOM 0 HB ILE A 2 3.112 -11.665 1.353 1.00 -0.01 H new ATOM 0 HG12 ILE A 2 3.081 -12.953 -0.772 1.00 -0.05 H new ATOM 0 HG13 ILE A 2 4.711 -13.497 -0.427 1.00 -0.05 H new ATOM 0 HG21 ILE A 2 3.593 -10.573 -0.872 1.00 -0.09 H new ATOM 0 HG22 ILE A 2 4.396 -9.732 0.475 1.00 -0.09 H new ATOM 0 HG23 ILE A 2 5.334 -10.808 -0.587 1.00 -0.09 H new ATOM 0 HD11 ILE A 2 3.056 -15.220 0.217 1.00 -0.09 H new ATOM 0 HD12 ILE A 2 3.909 -14.619 1.659 1.00 -0.09 H new ATOM 0 HD13 ILE A 2 2.254 -14.066 1.309 1.00 -0.09 H new ATOM 32 N THR A 3 4.188 -10.852 3.905 1.00 -0.46 N ATOM 33 CA THR A 3 3.561 -10.855 5.226 1.00 0.04 C ATOM 34 C THR A 3 3.006 -9.478 5.537 1.00 0.62 C ATOM 35 O THR A 3 3.704 -8.510 5.277 1.00 -0.50 O ATOM 36 CB THR A 3 4.592 -11.270 6.320 1.00 0.17 C ATOM 37 OG1 THR A 3 5.368 -12.429 5.950 1.00 -0.55 O ATOM 38 CG2 THR A 3 3.938 -11.541 7.702 1.00 -0.19 C ATOM 0 H THR A 3 4.375 -9.927 3.518 1.00 -0.46 H new ATOM 0 HA THR A 3 2.746 -11.579 5.222 1.00 0.04 H new ATOM 0 HB THR A 3 5.253 -10.407 6.402 1.00 0.17 H new ATOM 0 HG1 THR A 3 4.842 -12.996 5.348 1.00 -0.55 H new ATOM 0 HG21 THR A 3 4.708 -11.825 8.419 1.00 -0.19 H new ATOM 0 HG22 THR A 3 3.434 -10.639 8.049 1.00 -0.19 H new ATOM 0 HG23 THR A 3 3.213 -12.349 7.609 1.00 -0.19 H new ATOM 46 N CYS A 4 1.773 -9.324 6.078 1.00 -0.46 N ATOM 47 CA CYS A 4 1.303 -7.974 6.400 1.00 0.04 C ATOM 48 C CYS A 4 2.257 -7.309 7.376 1.00 0.62 C ATOM 49 O CYS A 4 2.470 -6.110 7.283 1.00 -0.50 O ATOM 50 CB CYS A 4 -0.161 -7.976 6.915 1.00 -0.10 C ATOM 51 SG CYS A 4 -1.378 -8.650 5.722 1.00 0.82 S ATOM 0 H CYS A 4 1.122 -10.081 6.288 1.00 -0.46 H new ATOM 0 HA CYS A 4 1.296 -7.385 5.483 1.00 0.04 H new ATOM 0 HB2 CYS A 4 -0.210 -8.559 7.835 1.00 -0.10 H new ATOM 0 HB3 CYS A 4 -0.446 -6.955 7.169 1.00 -0.10 H new ATOM 56 N GLY A 5 2.877 -8.078 8.295 1.00 -0.46 N ATOM 57 CA GLY A 5 3.965 -7.528 9.109 1.00 0.04 C ATOM 58 C GLY A 5 4.924 -6.650 8.324 1.00 0.62 C ATOM 59 O GLY A 5 5.244 -5.564 8.784 1.00 -0.50 O ATOM 0 H GLY A 5 2.647 -9.054 8.484 1.00 -0.46 H new ATOM 0 HA2 GLY A 5 3.539 -6.946 9.926 1.00 0.04 H new ATOM 0 HA3 GLY A 5 4.522 -8.349 9.559 1.00 0.04 H new ATOM 63 N GLN A 6 5.403 -7.101 7.137 1.00 -0.46 N ATOM 64 CA GLN A 6 6.312 -6.267 6.346 1.00 0.04 C ATOM 65 C GLN A 6 5.594 -4.985 5.966 1.00 0.62 C ATOM 66 O GLN A 6 6.195 -3.923 5.956 1.00 -0.50 O ATOM 67 CB GLN A 6 6.823 -6.854 4.989 1.00 -0.10 C ATOM 68 CG GLN A 6 7.105 -8.384 4.918 1.00 -0.10 C ATOM 69 CD GLN A 6 7.894 -9.002 6.039 1.00 0.68 C ATOM 70 OE1 GLN A 6 8.179 -8.346 7.030 1.00 -0.47 O ATOM 71 NE2 GLN A 6 8.261 -10.292 5.906 1.00 -0.87 N ATOM 0 H GLN A 6 5.179 -8.007 6.726 1.00 -0.46 H new ATOM 0 HA GLN A 6 7.178 -6.154 6.999 1.00 0.04 H new ATOM 0 HB2 GLN A 6 6.087 -6.614 4.222 1.00 -0.10 H new ATOM 0 HB3 GLN A 6 7.742 -6.332 4.723 1.00 -0.10 H new ATOM 0 HG2 GLN A 6 6.146 -8.899 4.859 1.00 -0.10 H new ATOM 0 HG3 GLN A 6 7.633 -8.585 3.986 1.00 -0.10 H new ATOM 0 HE21 GLN A 6 8.006 -10.811 5.065 1.00 -0.87 H new ATOM 0 HE22 GLN A 6 8.793 -10.750 6.646 1.00 -0.87 H new ATOM 80 N VAL A 7 4.295 -5.099 5.603 1.00 -0.46 N ATOM 81 CA VAL A 7 3.571 -3.998 4.976 1.00 0.04 C ATOM 82 C VAL A 7 3.314 -2.941 6.036 1.00 0.62 C ATOM 83 O VAL A 7 3.696 -1.791 5.870 1.00 -0.50 O ATOM 84 CB VAL A 7 2.289 -4.542 4.268 1.00 -0.01 C ATOM 85 CG1 VAL A 7 1.490 -3.402 3.577 1.00 -0.09 C ATOM 86 CG2 VAL A 7 2.597 -5.711 3.263 1.00 -0.09 C ATOM 0 H VAL A 7 3.740 -5.944 5.738 1.00 -0.46 H new ATOM 0 HA VAL A 7 4.150 -3.521 4.185 1.00 0.04 H new ATOM 0 HB VAL A 7 1.663 -4.963 5.054 1.00 -0.01 H new ATOM 0 HG11 VAL A 7 0.605 -3.818 3.095 1.00 -0.09 H new ATOM 0 HG12 VAL A 7 1.186 -2.667 4.323 1.00 -0.09 H new ATOM 0 HG13 VAL A 7 2.118 -2.920 2.828 1.00 -0.09 H new ATOM 0 HG21 VAL A 7 1.669 -6.048 2.802 1.00 -0.09 H new ATOM 0 HG22 VAL A 7 3.278 -5.356 2.490 1.00 -0.09 H new ATOM 0 HG23 VAL A 7 3.058 -6.540 3.800 1.00 -0.09 H new ATOM 96 N THR A 8 2.670 -3.311 7.165 1.00 -0.46 N ATOM 97 CA THR A 8 2.410 -2.321 8.209 1.00 0.04 C ATOM 98 C THR A 8 3.688 -1.620 8.642 1.00 0.62 C ATOM 99 O THR A 8 3.653 -0.420 8.872 1.00 -0.50 O ATOM 100 CB THR A 8 1.677 -2.948 9.424 1.00 0.17 C ATOM 101 OG1 THR A 8 1.324 -1.876 10.327 1.00 -0.55 O ATOM 102 CG2 THR A 8 2.540 -3.988 10.183 1.00 -0.19 C ATOM 0 H THR A 8 2.335 -4.254 7.364 1.00 -0.46 H new ATOM 0 HA THR A 8 1.748 -1.569 7.780 1.00 0.04 H new ATOM 0 HB THR A 8 0.800 -3.479 9.054 1.00 0.17 H new ATOM 0 HG1 THR A 8 0.857 -2.245 11.106 1.00 -0.55 H new ATOM 0 HG21 THR A 8 1.971 -4.390 11.022 1.00 -0.19 H new ATOM 0 HG22 THR A 8 2.811 -4.799 9.507 1.00 -0.19 H new ATOM 0 HG23 THR A 8 3.445 -3.508 10.555 1.00 -0.19 H new ATOM 110 N SER A 9 4.831 -2.340 8.754 1.00 -0.46 N ATOM 111 CA SER A 9 6.076 -1.681 9.165 1.00 0.04 C ATOM 112 C SER A 9 6.554 -0.755 8.063 1.00 0.62 C ATOM 113 O SER A 9 6.845 0.398 8.350 1.00 -0.50 O ATOM 114 CB SER A 9 7.210 -2.646 9.618 1.00 0.02 C ATOM 115 OG SER A 9 7.529 -3.644 8.637 1.00 -0.55 O ATOM 0 H SER A 9 4.909 -3.340 8.571 1.00 -0.46 H new ATOM 0 HA SER A 9 5.832 -1.108 10.059 1.00 0.04 H new ATOM 0 HB2 SER A 9 8.105 -2.065 9.840 1.00 0.02 H new ATOM 0 HB3 SER A 9 6.911 -3.138 10.544 1.00 0.02 H new ATOM 0 HG SER A 9 6.823 -4.323 8.619 1.00 -0.55 H new ATOM 121 N ASN A 10 6.631 -1.202 6.789 1.00 -0.46 N ATOM 122 CA ASN A 10 7.018 -0.271 5.724 1.00 0.04 C ATOM 123 C ASN A 10 6.089 0.924 5.680 1.00 0.62 C ATOM 124 O ASN A 10 6.568 2.019 5.428 1.00 -0.50 O ATOM 125 CB ASN A 10 7.018 -0.940 4.327 1.00 -0.09 C ATOM 126 CG ASN A 10 8.274 -1.763 4.160 1.00 0.68 C ATOM 127 OD1 ASN A 10 9.306 -1.189 3.839 1.00 -0.47 O ATOM 128 ND2 ASN A 10 8.275 -3.088 4.378 1.00 -0.87 N ATOM 0 H ASN A 10 6.439 -2.158 6.489 1.00 -0.46 H new ATOM 0 HA ASN A 10 8.032 0.050 5.961 1.00 0.04 H new ATOM 0 HB2 ASN A 10 6.138 -1.574 4.216 1.00 -0.09 H new ATOM 0 HB3 ASN A 10 6.963 -0.179 3.548 1.00 -0.09 H new ATOM 0 HD21 ASN A 10 9.139 -3.621 4.276 1.00 -0.87 H new ATOM 0 HD22 ASN A 10 7.412 -3.562 4.645 1.00 -0.87 H new ATOM 135 N LEU A 11 4.766 0.763 5.922 1.00 -0.46 N ATOM 136 CA LEU A 11 3.881 1.933 5.930 1.00 0.04 C ATOM 137 C LEU A 11 4.083 2.851 7.126 1.00 0.62 C ATOM 138 O LEU A 11 3.366 3.839 7.177 1.00 -0.50 O ATOM 139 CB LEU A 11 2.373 1.564 5.785 1.00 -0.06 C ATOM 140 CG LEU A 11 1.916 0.856 4.464 1.00 -0.01 C ATOM 141 CD1 LEU A 11 0.397 0.497 4.606 1.00 -0.11 C ATOM 142 CD2 LEU A 11 2.168 1.656 3.142 1.00 -0.11 C ATOM 0 H LEU A 11 4.310 -0.131 6.106 1.00 -0.46 H new ATOM 0 HA LEU A 11 4.180 2.489 5.042 1.00 0.04 H new ATOM 0 HB2 LEU A 11 2.105 0.918 6.621 1.00 -0.06 H new ATOM 0 HB3 LEU A 11 1.793 2.480 5.891 1.00 -0.06 H new ATOM 0 HG LEU A 11 2.540 -0.031 4.356 1.00 -0.01 H new ATOM 0 HD11 LEU A 11 0.054 0.002 3.698 1.00 -0.11 H new ATOM 0 HD12 LEU A 11 0.259 -0.170 5.457 1.00 -0.11 H new ATOM 0 HD13 LEU A 11 -0.179 1.409 4.762 1.00 -0.11 H new ATOM 0 HD21 LEU A 11 1.814 1.074 2.291 1.00 -0.11 H new ATOM 0 HD22 LEU A 11 1.630 2.603 3.182 1.00 -0.11 H new ATOM 0 HD23 LEU A 11 3.235 1.849 3.031 1.00 -0.11 H new ATOM 154 N ALA A 12 5.015 2.610 8.081 1.00 -0.46 N ATOM 155 CA ALA A 12 5.163 3.518 9.228 1.00 0.04 C ATOM 156 C ALA A 12 5.064 4.991 8.864 1.00 0.62 C ATOM 157 O ALA A 12 4.270 5.675 9.492 1.00 -0.50 O ATOM 158 CB ALA A 12 6.439 3.267 10.093 1.00 -0.10 C ATOM 0 H ALA A 12 5.655 1.816 8.076 1.00 -0.46 H new ATOM 0 HA ALA A 12 4.300 3.266 9.845 1.00 0.04 H new ATOM 0 HB1 ALA A 12 6.467 3.981 10.916 1.00 -0.10 H new ATOM 0 HB2 ALA A 12 6.414 2.253 10.493 1.00 -0.10 H new ATOM 0 HB3 ALA A 12 7.328 3.391 9.475 1.00 -0.10 H new ATOM 164 N PRO A 13 5.817 5.568 7.895 1.00 -0.23 N ATOM 165 CA PRO A 13 5.629 6.981 7.588 1.00 0.04 C ATOM 166 C PRO A 13 4.392 7.222 6.745 1.00 0.53 C ATOM 167 O PRO A 13 3.878 8.330 6.753 1.00 -0.50 O ATOM 168 CB PRO A 13 6.933 7.271 6.802 1.00 -0.12 C ATOM 169 CG PRO A 13 7.821 6.017 6.990 1.00 -0.12 C ATOM 170 CD PRO A 13 6.827 4.846 7.138 1.00 -0.01 C ATOM 0 HA PRO A 13 5.471 7.617 8.459 1.00 0.04 H new ATOM 0 HB2 PRO A 13 6.723 7.448 5.747 1.00 -0.12 H new ATOM 0 HB3 PRO A 13 7.430 8.163 7.183 1.00 -0.12 H new ATOM 0 HG2 PRO A 13 8.482 5.869 6.136 1.00 -0.12 H new ATOM 0 HG3 PRO A 13 8.456 6.111 7.871 1.00 -0.12 H new ATOM 0 HD2 PRO A 13 6.461 4.470 6.183 1.00 -0.01 H new ATOM 0 HD3 PRO A 13 7.242 3.995 7.678 1.00 -0.01 H new ATOM 178 N CYS A 14 3.896 6.204 5.998 1.00 -0.46 N ATOM 179 CA CYS A 14 2.744 6.425 5.131 1.00 0.04 C ATOM 180 C CYS A 14 1.528 6.586 6.013 1.00 0.62 C ATOM 181 O CYS A 14 0.856 7.598 5.913 1.00 -0.50 O ATOM 182 CB CYS A 14 2.530 5.287 4.097 1.00 -0.10 C ATOM 183 SG CYS A 14 4.087 4.852 3.262 1.00 0.82 S ATOM 0 H CYS A 14 4.271 5.256 5.986 1.00 -0.46 H new ATOM 0 HA CYS A 14 2.921 7.323 4.540 1.00 0.04 H new ATOM 0 HB2 CYS A 14 2.126 4.408 4.599 1.00 -0.10 H new ATOM 0 HB3 CYS A 14 1.793 5.599 3.357 1.00 -0.10 H new ATOM 188 N LEU A 15 1.228 5.605 6.896 1.00 -0.46 N ATOM 189 CA LEU A 15 0.056 5.741 7.763 1.00 0.04 C ATOM 190 C LEU A 15 -0.024 7.124 8.370 1.00 0.62 C ATOM 191 O LEU A 15 -1.111 7.675 8.463 1.00 -0.50 O ATOM 192 CB LEU A 15 -0.042 4.599 8.827 1.00 -0.06 C ATOM 193 CG LEU A 15 1.182 4.439 9.783 1.00 -0.01 C ATOM 194 CD1 LEU A 15 1.092 5.330 11.060 1.00 -0.11 C ATOM 195 CD2 LEU A 15 1.344 2.944 10.193 1.00 -0.11 C ATOM 0 H LEU A 15 1.764 4.746 7.018 1.00 -0.46 H new ATOM 0 HA LEU A 15 -0.826 5.623 7.133 1.00 0.04 H new ATOM 0 HB2 LEU A 15 -0.930 4.772 9.434 1.00 -0.06 H new ATOM 0 HB3 LEU A 15 -0.193 3.655 8.303 1.00 -0.06 H new ATOM 0 HG LEU A 15 2.056 4.777 9.227 1.00 -0.01 H new ATOM 0 HD11 LEU A 15 1.975 5.169 11.679 1.00 -0.11 H new ATOM 0 HD12 LEU A 15 1.040 6.379 10.769 1.00 -0.11 H new ATOM 0 HD13 LEU A 15 0.199 5.066 11.626 1.00 -0.11 H new ATOM 0 HD21 LEU A 15 2.200 2.840 10.860 1.00 -0.11 H new ATOM 0 HD22 LEU A 15 0.442 2.607 10.705 1.00 -0.11 H new ATOM 0 HD23 LEU A 15 1.503 2.337 9.301 1.00 -0.11 H new ATOM 207 N ALA A 16 1.121 7.727 8.765 1.00 -0.46 N ATOM 208 CA ALA A 16 1.075 9.074 9.346 1.00 0.04 C ATOM 209 C ALA A 16 0.617 10.060 8.284 1.00 0.62 C ATOM 210 O ALA A 16 -0.237 10.893 8.548 1.00 -0.50 O ATOM 211 CB ALA A 16 2.455 9.488 9.934 1.00 -0.10 C ATOM 0 H ALA A 16 2.052 7.315 8.694 1.00 -0.46 H new ATOM 0 HA ALA A 16 0.364 9.077 10.172 1.00 0.04 H new ATOM 0 HB1 ALA A 16 2.385 10.491 10.356 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 2.743 8.785 10.715 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 3.205 9.479 9.143 1.00 -0.10 H new ATOM 217 N TYR A 17 1.183 9.961 7.059 1.00 -0.46 N ATOM 218 CA TYR A 17 0.738 10.797 5.936 1.00 0.04 C ATOM 219 C TYR A 17 -0.738 10.583 5.649 1.00 0.62 C ATOM 220 O TYR A 17 -1.484 11.536 5.486 1.00 -0.50 O ATOM 221 CB TYR A 17 1.620 10.473 4.692 1.00 -0.10 C ATOM 222 CG TYR A 17 1.166 11.124 3.378 1.00 -0.03 C ATOM 223 CD1 TYR A 17 1.130 12.515 3.257 1.00 0.00 C ATOM 224 CD2 TYR A 17 0.807 10.332 2.278 1.00 0.00 C ATOM 225 CE1 TYR A 17 0.852 13.111 2.020 1.00 -0.26 C ATOM 226 CE2 TYR A 17 0.484 10.933 1.058 1.00 -0.26 C ATOM 227 CZ TYR A 17 0.534 12.318 0.915 1.00 0.46 C ATOM 228 OH TYR A 17 0.265 12.877 -0.340 1.00 -0.53 O ATOM 0 H TYR A 17 1.940 9.316 6.831 1.00 -0.46 H new ATOM 0 HA TYR A 17 0.856 11.850 6.191 1.00 0.04 H new ATOM 0 HB2 TYR A 17 2.642 10.788 4.900 1.00 -0.10 H new ATOM 0 HB3 TYR A 17 1.642 9.392 4.554 1.00 -0.10 H new ATOM 0 HD1 TYR A 17 1.317 13.134 4.122 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.780 9.257 2.373 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.884 14.186 1.921 1.00 -0.26 H new ATOM 0 HE2 TYR A 17 0.193 10.318 0.219 1.00 -0.26 H new ATOM 0 HH TYR A 17 0.768 13.712 -0.441 1.00 -0.53 H new ATOM 238 N LEU A 18 -1.201 9.318 5.595 1.00 -0.46 N ATOM 239 CA LEU A 18 -2.605 9.049 5.266 1.00 0.04 C ATOM 240 C LEU A 18 -3.535 9.686 6.283 1.00 0.62 C ATOM 241 O LEU A 18 -4.638 10.072 5.924 1.00 -0.50 O ATOM 242 CB LEU A 18 -2.900 7.524 5.159 1.00 -0.06 C ATOM 243 CG LEU A 18 -1.969 6.739 4.175 1.00 -0.01 C ATOM 244 CD1 LEU A 18 -2.369 5.237 4.088 1.00 -0.11 C ATOM 245 CD2 LEU A 18 -1.944 7.398 2.769 1.00 -0.11 C ATOM 0 H LEU A 18 -0.635 8.488 5.771 1.00 -0.46 H new ATOM 0 HA LEU A 18 -2.789 9.495 4.288 1.00 0.04 H new ATOM 0 HB2 LEU A 18 -2.811 7.081 6.151 1.00 -0.06 H new ATOM 0 HB3 LEU A 18 -3.934 7.390 4.842 1.00 -0.06 H new ATOM 0 HG LEU A 18 -0.957 6.786 4.578 1.00 -0.01 H new ATOM 0 HD11 LEU A 18 -1.702 4.722 3.396 1.00 -0.11 H new ATOM 0 HD12 LEU A 18 -2.290 4.782 5.075 1.00 -0.11 H new ATOM 0 HD13 LEU A 18 -3.396 5.154 3.732 1.00 -0.11 H new ATOM 0 HD21 LEU A 18 -1.288 6.827 2.111 1.00 -0.11 H new ATOM 0 HD22 LEU A 18 -2.952 7.410 2.355 1.00 -0.11 H new ATOM 0 HD23 LEU A 18 -1.574 8.420 2.853 1.00 -0.11 H new ATOM 257 N ARG A 19 -3.096 9.829 7.554 1.00 -0.46 N ATOM 258 CA ARG A 19 -3.907 10.528 8.558 1.00 0.04 C ATOM 259 C ARG A 19 -3.971 12.035 8.365 1.00 0.62 C ATOM 260 O ARG A 19 -4.555 12.684 9.218 1.00 -0.50 O ATOM 261 CB ARG A 19 -3.390 10.206 9.994 1.00 -0.08 C ATOM 262 CG ARG A 19 -3.682 8.732 10.384 1.00 -0.10 C ATOM 263 CD ARG A 19 -2.996 8.297 11.707 1.00 -0.23 C ATOM 264 NE ARG A 19 -3.442 9.066 12.872 1.00 -0.32 N ATOM 265 CZ ARG A 19 -2.952 8.909 14.084 1.00 0.76 C ATOM 266 NH1 ARG A 19 -2.041 8.017 14.375 1.00 -0.62 N ATOM 267 NH2 ARG A 19 -3.393 9.679 15.047 1.00 -0.62 N ATOM 0 H ARG A 19 -2.203 9.476 7.897 1.00 -0.46 H new ATOM 0 HA ARG A 19 -4.923 10.156 8.426 1.00 0.04 H new ATOM 0 HB2 ARG A 19 -2.317 10.392 10.046 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 -3.865 10.875 10.712 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 -4.759 8.596 10.480 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 -3.349 8.078 9.578 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 -3.195 7.240 11.881 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 -1.917 8.405 11.601 1.00 -0.23 H new ATOM 0 HE ARG A 19 -4.174 9.763 12.736 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 -1.678 7.403 13.646 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 -1.694 7.936 15.331 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 -4.103 10.384 14.851 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 -3.026 9.573 15.993 1.00 -0.62 H new ATOM 281 N ASN A 20 -3.398 12.655 7.306 1.00 -0.46 N ATOM 282 CA ASN A 20 -3.346 14.121 7.252 1.00 0.04 C ATOM 283 C ASN A 20 -2.633 14.666 8.476 1.00 0.62 C ATOM 284 O ASN A 20 -3.010 15.727 8.949 1.00 -0.50 O ATOM 285 CB ASN A 20 -4.744 14.791 7.101 1.00 -0.09 C ATOM 286 CG ASN A 20 -5.577 14.283 5.948 1.00 0.68 C ATOM 287 OD1 ASN A 20 -5.115 14.326 4.816 1.00 -0.47 O ATOM 288 ND2 ASN A 20 -6.825 13.827 6.182 1.00 -0.87 N ATOM 0 H ASN A 20 -2.981 12.176 6.508 1.00 -0.46 H new ATOM 0 HA ASN A 20 -2.787 14.374 6.351 1.00 0.04 H new ATOM 0 HB2 ASN A 20 -5.302 14.643 8.025 1.00 -0.09 H new ATOM 0 HB3 ASN A 20 -4.604 15.865 6.982 1.00 -0.09 H new ATOM 0 HD21 ASN A 20 -7.405 13.508 5.406 1.00 -0.87 H new ATOM 0 HD22 ASN A 20 -7.188 13.801 7.135 1.00 -0.87 H new ATOM 295 N THR A 21 -1.607 13.954 9.006 1.00 -0.46 N ATOM 296 CA THR A 21 -0.924 14.415 10.218 1.00 0.04 C ATOM 297 C THR A 21 0.574 14.469 9.995 1.00 0.62 C ATOM 298 O THR A 21 1.134 15.553 10.065 1.00 -0.50 O ATOM 299 CB THR A 21 -1.289 13.502 11.423 1.00 0.17 C ATOM 300 OG1 THR A 21 -2.717 13.381 11.544 1.00 -0.55 O ATOM 301 CG2 THR A 21 -0.670 14.025 12.750 1.00 -0.19 C ATOM 0 H THR A 21 -1.249 13.081 8.617 1.00 -0.46 H new ATOM 0 HA THR A 21 -1.260 15.426 10.451 1.00 0.04 H new ATOM 0 HB THR A 21 -0.866 12.516 11.232 1.00 0.17 H new ATOM 0 HG1 THR A 21 -3.084 13.000 10.719 1.00 -0.55 H new ATOM 0 HG21 THR A 21 -0.948 13.360 13.568 1.00 -0.19 H new ATOM 0 HG22 THR A 21 0.416 14.054 12.659 1.00 -0.19 H new ATOM 0 HG23 THR A 21 -1.043 15.028 12.955 1.00 -0.19 H new ATOM 309 N GLY A 22 1.259 13.331 9.732 1.00 -0.46 N ATOM 310 CA GLY A 22 2.711 13.379 9.554 1.00 0.04 C ATOM 311 C GLY A 22 3.073 13.588 8.102 1.00 0.62 C ATOM 312 O GLY A 22 2.182 13.463 7.280 1.00 -0.50 O ATOM 0 H GLY A 22 0.840 12.405 9.643 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 3.128 14.186 10.156 1.00 0.04 H new ATOM 0 HA3 GLY A 22 3.156 12.451 9.913 1.00 0.04 H new ATOM 316 N PRO A 23 4.339 13.906 7.729 1.00 -0.23 N ATOM 317 CA PRO A 23 4.680 14.060 6.318 1.00 0.04 C ATOM 318 C PRO A 23 5.112 12.764 5.661 1.00 0.53 C ATOM 319 O PRO A 23 5.120 11.735 6.316 1.00 -0.50 O ATOM 320 CB PRO A 23 5.892 15.010 6.478 1.00 -0.12 C ATOM 321 CG PRO A 23 6.574 14.484 7.765 1.00 -0.12 C ATOM 322 CD PRO A 23 5.380 14.184 8.708 1.00 -0.01 C ATOM 0 HA PRO A 23 3.857 14.402 5.690 1.00 0.04 H new ATOM 0 HB2 PRO A 23 6.560 14.962 5.618 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 5.580 16.049 6.582 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 7.166 13.590 7.569 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 7.248 15.225 8.194 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 5.572 13.334 9.363 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 5.133 15.031 9.348 1.00 -0.01 H new ATOM 330 N LEU A 24 5.475 12.818 4.355 1.00 -0.46 N ATOM 331 CA LEU A 24 5.974 11.636 3.639 1.00 0.04 C ATOM 332 C LEU A 24 7.081 10.932 4.398 1.00 0.62 C ATOM 333 O LEU A 24 7.013 9.725 4.581 1.00 -0.50 O ATOM 334 CB LEU A 24 6.510 12.015 2.220 1.00 -0.06 C ATOM 335 CG LEU A 24 5.454 11.960 1.070 1.00 -0.01 C ATOM 336 CD1 LEU A 24 5.139 10.502 0.631 1.00 -0.11 C ATOM 337 CD2 LEU A 24 4.150 12.735 1.409 1.00 -0.11 C ATOM 0 H LEU A 24 5.429 13.664 3.787 1.00 -0.46 H new ATOM 0 HA LEU A 24 5.123 10.961 3.546 1.00 0.04 H new ATOM 0 HB2 LEU A 24 6.923 13.023 2.263 1.00 -0.06 H new ATOM 0 HB3 LEU A 24 7.331 11.344 1.969 1.00 -0.06 H new ATOM 0 HG LEU A 24 5.915 12.469 0.223 1.00 -0.01 H new ATOM 0 HD11 LEU A 24 4.400 10.515 -0.170 1.00 -0.11 H new ATOM 0 HD12 LEU A 24 6.052 10.024 0.275 1.00 -0.11 H new ATOM 0 HD13 LEU A 24 4.744 9.944 1.480 1.00 -0.11 H new ATOM 0 HD21 LEU A 24 3.455 12.661 0.573 1.00 -0.11 H new ATOM 0 HD22 LEU A 24 3.693 12.305 2.300 1.00 -0.11 H new ATOM 0 HD23 LEU A 24 4.387 13.783 1.592 1.00 -0.11 H new ATOM 349 N GLY A 25 8.139 11.647 4.831 1.00 -0.46 N ATOM 350 CA GLY A 25 9.231 10.956 5.518 1.00 0.04 C ATOM 351 C GLY A 25 9.809 9.863 4.642 1.00 0.62 C ATOM 352 O GLY A 25 10.090 10.148 3.489 1.00 -0.50 O ATOM 0 H GLY A 25 8.254 12.655 4.722 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 10.012 11.670 5.780 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.866 10.526 6.451 1.00 0.04 H new ATOM 356 N ARG A 26 9.988 8.612 5.136 1.00 -0.46 N ATOM 357 CA ARG A 26 10.487 7.521 4.287 1.00 0.04 C ATOM 358 C ARG A 26 9.334 6.715 3.724 1.00 0.62 C ATOM 359 O ARG A 26 9.510 5.543 3.430 1.00 -0.50 O ATOM 360 CB ARG A 26 11.460 6.609 5.088 1.00 -0.08 C ATOM 361 CG ARG A 26 12.634 7.422 5.693 1.00 -0.10 C ATOM 362 CD ARG A 26 13.591 6.511 6.512 1.00 -0.23 C ATOM 363 NE ARG A 26 12.852 5.620 7.416 1.00 -0.32 N ATOM 364 CZ ARG A 26 12.300 5.996 8.554 1.00 0.76 C ATOM 365 NH1 ARG A 26 12.374 7.214 9.020 1.00 -0.62 N ATOM 366 NH2 ARG A 26 11.641 5.108 9.258 1.00 -0.62 N ATOM 0 H ARG A 26 9.796 8.345 6.101 1.00 -0.46 H new ATOM 0 HA ARG A 26 11.037 7.956 3.452 1.00 0.04 H new ATOM 0 HB2 ARG A 26 10.915 6.106 5.887 1.00 -0.08 H new ATOM 0 HB3 ARG A 26 11.854 5.832 4.433 1.00 -0.08 H new ATOM 0 HG2 ARG A 26 13.190 7.911 4.893 1.00 -0.10 H new ATOM 0 HG3 ARG A 26 12.240 8.210 6.335 1.00 -0.10 H new ATOM 0 HD2 ARG A 26 14.198 5.915 5.830 1.00 -0.23 H new ATOM 0 HD3 ARG A 26 14.276 7.130 7.091 1.00 -0.23 H new ATOM 0 HE ARG A 26 12.759 4.641 7.145 1.00 -0.32 H new ATOM 0 HH11 ARG A 26 12.878 7.930 8.497 1.00 -0.62 H new ATOM 0 HH12 ARG A 26 11.928 7.449 9.907 1.00 -0.62 H new ATOM 0 HH21 ARG A 26 11.563 4.148 8.923 1.00 -0.62 H new ATOM 0 HH22 ARG A 26 11.207 5.377 10.141 1.00 -0.62 H new ATOM 380 N CYS A 27 8.128 7.303 3.556 1.00 -0.46 N ATOM 381 CA CYS A 27 7.017 6.515 3.034 1.00 0.04 C ATOM 382 C CYS A 27 7.406 5.981 1.676 1.00 0.62 C ATOM 383 O CYS A 27 7.214 4.802 1.432 1.00 -0.50 O ATOM 384 CB CYS A 27 5.728 7.369 2.898 1.00 -0.10 C ATOM 385 SG CYS A 27 4.434 6.432 2.042 1.00 0.82 S ATOM 0 H CYS A 27 7.915 8.278 3.767 1.00 -0.46 H new ATOM 0 HA CYS A 27 6.808 5.701 3.729 1.00 0.04 H new ATOM 0 HB2 CYS A 27 5.376 7.667 3.886 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 5.947 8.284 2.348 1.00 -0.10 H new ATOM 390 N CYS A 28 7.941 6.830 0.771 1.00 -0.46 N ATOM 391 CA CYS A 28 8.227 6.345 -0.579 1.00 0.04 C ATOM 392 C CYS A 28 9.211 5.199 -0.542 1.00 0.62 C ATOM 393 O CYS A 28 9.035 4.265 -1.309 1.00 -0.50 O ATOM 394 CB CYS A 28 8.744 7.475 -1.509 1.00 -0.10 C ATOM 395 SG CYS A 28 8.834 7.051 -3.288 1.00 0.82 S ATOM 0 H CYS A 28 8.171 7.808 0.946 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.286 5.986 -0.995 1.00 0.04 H new ATOM 0 HB2 CYS A 28 8.095 8.343 -1.392 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 9.738 7.772 -1.173 1.00 -0.10 H new ATOM 400 N GLY A 29 10.238 5.248 0.337 1.00 -0.46 N ATOM 401 CA GLY A 29 11.154 4.113 0.457 1.00 0.04 C ATOM 402 C GLY A 29 10.399 2.891 0.924 1.00 0.62 C ATOM 403 O GLY A 29 10.573 1.819 0.365 1.00 -0.50 O ATOM 0 H GLY A 29 10.442 6.037 0.950 1.00 -0.46 H new ATOM 0 HA2 GLY A 29 11.628 3.913 -0.504 1.00 0.04 H new ATOM 0 HA3 GLY A 29 11.951 4.350 1.162 1.00 0.04 H new ATOM 407 N GLY A 30 9.541 3.029 1.959 1.00 -0.46 N ATOM 408 CA GLY A 30 8.769 1.871 2.408 1.00 0.04 C ATOM 409 C GLY A 30 7.945 1.323 1.265 1.00 0.62 C ATOM 410 O GLY A 30 7.990 0.135 0.992 1.00 -0.50 O ATOM 0 H GLY A 30 9.376 3.894 2.474 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 9.441 1.100 2.785 1.00 0.04 H new ATOM 0 HA3 GLY A 30 8.117 2.157 3.233 1.00 0.04 H new ATOM 414 N VAL A 31 7.177 2.185 0.562 1.00 -0.46 N ATOM 415 CA VAL A 31 6.354 1.697 -0.553 1.00 0.04 C ATOM 416 C VAL A 31 7.285 0.995 -1.525 1.00 0.62 C ATOM 417 O VAL A 31 7.026 -0.141 -1.887 1.00 -0.50 O ATOM 418 CB VAL A 31 5.539 2.827 -1.260 1.00 -0.01 C ATOM 419 CG1 VAL A 31 4.737 2.317 -2.503 1.00 -0.09 C ATOM 420 CG2 VAL A 31 4.555 3.535 -0.281 1.00 -0.09 C ATOM 0 H VAL A 31 7.113 3.187 0.742 1.00 -0.46 H new ATOM 0 HA VAL A 31 5.600 1.011 -0.167 1.00 0.04 H new ATOM 0 HB VAL A 31 6.287 3.542 -1.604 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 4.192 3.148 -2.950 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 5.428 1.900 -3.236 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 4.032 1.547 -2.190 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 4.009 4.313 -0.814 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 3.850 2.805 0.118 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.117 3.982 0.539 1.00 -0.09 H new ATOM 430 N LYS A 32 8.397 1.636 -1.952 1.00 -0.46 N ATOM 431 CA LYS A 32 9.317 0.978 -2.887 1.00 0.04 C ATOM 432 C LYS A 32 9.678 -0.415 -2.411 1.00 0.62 C ATOM 433 O LYS A 32 9.643 -1.350 -3.197 1.00 -0.50 O ATOM 434 CB LYS A 32 10.611 1.810 -3.096 1.00 -0.10 C ATOM 435 CG LYS A 32 11.615 1.179 -4.102 1.00 -0.16 C ATOM 436 CD LYS A 32 11.059 1.109 -5.551 1.00 -0.18 C ATOM 437 CE LYS A 32 12.167 0.720 -6.565 1.00 -0.04 C ATOM 438 NZ LYS A 32 11.627 0.626 -7.943 1.00 -0.14 N ATOM 0 H LYS A 32 8.667 2.578 -1.671 1.00 -0.46 H new ATOM 0 HA LYS A 32 8.797 0.902 -3.842 1.00 0.04 H new ATOM 0 HB2 LYS A 32 10.338 2.805 -3.447 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 11.108 1.937 -2.134 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 12.537 1.761 -4.100 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 11.872 0.174 -3.768 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 10.250 0.380 -5.597 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 10.635 2.074 -5.826 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 12.967 1.460 -6.535 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 12.606 -0.235 -6.278 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 12.391 0.364 -8.598 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 10.881 -0.098 -7.975 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 11.230 1.545 -8.224 1.00 -0.14 H new ATOM 452 N ALA A 33 10.022 -0.582 -1.115 1.00 -0.46 N ATOM 453 CA ALA A 33 10.354 -1.917 -0.609 1.00 0.04 C ATOM 454 C ALA A 33 9.232 -2.896 -0.898 1.00 0.62 C ATOM 455 O ALA A 33 9.496 -4.047 -1.208 1.00 -0.50 O ATOM 456 CB ALA A 33 10.584 -1.911 0.925 1.00 -0.10 C ATOM 0 H ALA A 33 10.074 0.168 -0.426 1.00 -0.46 H new ATOM 0 HA ALA A 33 11.270 -2.219 -1.117 1.00 0.04 H new ATOM 0 HB1 ALA A 33 10.828 -2.919 1.260 1.00 -0.10 H new ATOM 0 HB2 ALA A 33 11.408 -1.239 1.167 1.00 -0.10 H new ATOM 0 HB3 ALA A 33 9.679 -1.570 1.427 1.00 -0.10 H new ATOM 462 N LEU A 34 7.962 -2.442 -0.794 1.00 -0.46 N ATOM 463 CA LEU A 34 6.817 -3.331 -1.006 1.00 0.04 C ATOM 464 C LEU A 34 6.690 -3.667 -2.472 1.00 0.62 C ATOM 465 O LEU A 34 6.371 -4.795 -2.807 1.00 -0.50 O ATOM 466 CB LEU A 34 5.494 -2.664 -0.518 1.00 -0.06 C ATOM 467 CG LEU A 34 5.556 -2.266 0.989 1.00 -0.01 C ATOM 468 CD1 LEU A 34 4.470 -1.209 1.389 1.00 -0.11 C ATOM 469 CD2 LEU A 34 5.511 -3.544 1.863 1.00 -0.11 C ATOM 0 H LEU A 34 7.715 -1.479 -0.568 1.00 -0.46 H new ATOM 0 HA LEU A 34 6.986 -4.241 -0.430 1.00 0.04 H new ATOM 0 HB2 LEU A 34 5.293 -1.777 -1.118 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 4.663 -3.351 -0.677 1.00 -0.06 H new ATOM 0 HG LEU A 34 6.504 -1.761 1.172 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 4.565 -0.973 2.449 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 4.611 -0.302 0.801 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 3.478 -1.616 1.195 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 5.554 -3.266 2.916 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 4.585 -4.086 1.668 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 6.362 -4.181 1.620 1.00 -0.11 H new ATOM 481 N VAL A 35 6.951 -2.688 -3.364 1.00 -0.46 N ATOM 482 CA VAL A 35 6.858 -2.944 -4.803 1.00 0.04 C ATOM 483 C VAL A 35 7.651 -4.200 -5.101 1.00 0.62 C ATOM 484 O VAL A 35 7.153 -5.088 -5.777 1.00 -0.50 O ATOM 485 CB VAL A 35 7.406 -1.786 -5.678 1.00 -0.01 C ATOM 486 CG1 VAL A 35 7.240 -2.115 -7.194 1.00 -0.09 C ATOM 487 CG2 VAL A 35 6.676 -0.448 -5.382 1.00 -0.09 C ATOM 0 H VAL A 35 7.221 -1.737 -3.114 1.00 -0.46 H new ATOM 0 HA VAL A 35 5.802 -3.048 -5.052 1.00 0.04 H new ATOM 0 HB VAL A 35 8.462 -1.677 -5.431 1.00 -0.01 H new ATOM 0 HG11 VAL A 35 7.630 -1.290 -7.790 1.00 -0.09 H new ATOM 0 HG12 VAL A 35 7.790 -3.026 -7.431 1.00 -0.09 H new ATOM 0 HG13 VAL A 35 6.184 -2.259 -7.422 1.00 -0.09 H new ATOM 0 HG21 VAL A 35 7.088 0.339 -6.014 1.00 -0.09 H new ATOM 0 HG22 VAL A 35 5.612 -0.561 -5.589 1.00 -0.09 H new ATOM 0 HG23 VAL A 35 6.815 -0.182 -4.334 1.00 -0.09 H new ATOM 497 N ASN A 36 8.897 -4.285 -4.578 1.00 -0.46 N ATOM 498 CA ASN A 36 9.723 -5.465 -4.836 1.00 0.04 C ATOM 499 C ASN A 36 9.022 -6.721 -4.363 1.00 0.62 C ATOM 500 O ASN A 36 9.066 -7.713 -5.073 1.00 -0.50 O ATOM 501 CB ASN A 36 11.100 -5.338 -4.136 1.00 -0.09 C ATOM 502 CG ASN A 36 11.831 -4.119 -4.653 1.00 0.68 C ATOM 503 OD1 ASN A 36 11.866 -3.917 -5.859 1.00 -0.47 O ATOM 504 ND2 ASN A 36 12.432 -3.277 -3.792 1.00 -0.87 N ATOM 0 H ASN A 36 9.332 -3.570 -3.995 1.00 -0.46 H new ATOM 0 HA ASN A 36 9.882 -5.532 -5.912 1.00 0.04 H new ATOM 0 HB2 ASN A 36 10.963 -5.260 -3.057 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 11.694 -6.233 -4.318 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 12.926 -2.456 -4.142 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 12.394 -3.460 -2.789 1.00 -0.87 H new ATOM 511 N SER A 37 8.353 -6.689 -3.183 1.00 -0.46 N ATOM 512 CA SER A 37 7.541 -7.831 -2.751 1.00 0.04 C ATOM 513 C SER A 37 6.088 -7.563 -3.069 1.00 0.62 C ATOM 514 O SER A 37 5.225 -7.912 -2.276 1.00 -0.50 O ATOM 515 CB SER A 37 7.713 -8.099 -1.236 1.00 0.02 C ATOM 516 OG SER A 37 9.107 -8.291 -0.934 1.00 -0.55 O ATOM 0 H SER A 37 8.364 -5.901 -2.535 1.00 -0.46 H new ATOM 0 HA SER A 37 7.877 -8.718 -3.288 1.00 0.04 H new ATOM 0 HB2 SER A 37 7.318 -7.261 -0.661 1.00 0.02 H new ATOM 0 HB3 SER A 37 7.143 -8.981 -0.946 1.00 0.02 H new ATOM 0 HG SER A 37 9.214 -8.459 0.026 1.00 -0.55 H new ATOM 522 N ALA A 38 5.792 -6.943 -4.237 1.00 -0.46 N ATOM 523 CA ALA A 38 4.401 -6.756 -4.626 1.00 0.04 C ATOM 524 C ALA A 38 4.285 -6.750 -6.133 1.00 0.62 C ATOM 525 O ALA A 38 3.652 -5.859 -6.677 1.00 -0.50 O ATOM 526 CB ALA A 38 3.760 -5.497 -3.988 1.00 -0.10 C ATOM 0 H ALA A 38 6.481 -6.580 -4.896 1.00 -0.46 H new ATOM 0 HA ALA A 38 3.831 -7.599 -4.236 1.00 0.04 H new ATOM 0 HB1 ALA A 38 2.724 -5.411 -4.315 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 3.792 -5.583 -2.902 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.313 -4.610 -4.298 1.00 -0.10 H new ATOM 532 N ARG A 39 4.899 -7.748 -6.815 1.00 -0.46 N ATOM 533 CA ARG A 39 4.820 -7.831 -8.278 1.00 0.04 C ATOM 534 C ARG A 39 4.694 -9.266 -8.769 1.00 0.62 C ATOM 535 O ARG A 39 3.838 -9.497 -9.610 1.00 -0.50 O ATOM 536 CB ARG A 39 5.974 -7.059 -8.982 1.00 -0.08 C ATOM 537 CG ARG A 39 5.489 -5.823 -9.808 1.00 -0.10 C ATOM 538 CD ARG A 39 5.034 -6.113 -11.275 1.00 -0.23 C ATOM 539 NE ARG A 39 3.955 -7.085 -11.480 1.00 -0.32 N ATOM 540 CZ ARG A 39 3.445 -7.416 -12.648 1.00 0.76 C ATOM 541 NH1 ARG A 39 3.855 -6.877 -13.766 1.00 -0.62 N ATOM 542 NH2 ARG A 39 2.496 -8.314 -12.691 1.00 -0.62 N ATOM 0 H ARG A 39 5.443 -8.491 -6.376 1.00 -0.46 H new ATOM 0 HA ARG A 39 3.898 -7.326 -8.565 1.00 0.04 H new ATOM 0 HB2 ARG A 39 6.688 -6.725 -8.229 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 6.505 -7.742 -9.645 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 4.658 -5.359 -9.276 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 6.297 -5.091 -9.837 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 4.722 -5.169 -11.721 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 5.905 -6.457 -11.833 1.00 -0.23 H new ATOM 0 HE ARG A 39 3.569 -7.540 -10.653 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 4.594 -6.174 -13.752 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 3.436 -7.159 -14.652 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 2.163 -8.745 -11.829 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 2.089 -8.583 -13.587 1.00 -0.62 H new ATOM 556 N THR A 40 5.506 -10.228 -8.266 1.00 -0.46 N ATOM 557 CA THR A 40 5.326 -11.652 -8.593 1.00 0.04 C ATOM 558 C THR A 40 3.966 -12.167 -8.145 1.00 0.62 C ATOM 559 O THR A 40 3.889 -12.947 -7.210 1.00 -0.50 O ATOM 560 CB THR A 40 6.463 -12.462 -7.903 1.00 0.17 C ATOM 561 OG1 THR A 40 6.614 -11.839 -6.617 1.00 -0.55 O ATOM 562 CG2 THR A 40 7.786 -12.402 -8.719 1.00 -0.19 C ATOM 0 H THR A 40 6.286 -10.039 -7.636 1.00 -0.46 H new ATOM 0 HA THR A 40 5.373 -11.775 -9.675 1.00 0.04 H new ATOM 0 HB THR A 40 6.222 -13.522 -7.825 1.00 0.17 H new ATOM 0 HG1 THR A 40 6.700 -12.530 -5.927 1.00 -0.55 H new ATOM 0 HG21 THR A 40 8.556 -12.979 -8.206 1.00 -0.19 H new ATOM 0 HG22 THR A 40 7.620 -12.820 -9.712 1.00 -0.19 H new ATOM 0 HG23 THR A 40 8.110 -11.365 -8.811 1.00 -0.19 H new ATOM 570 N THR A 41 2.870 -11.771 -8.834 1.00 -0.46 N ATOM 571 CA THR A 41 1.553 -12.384 -8.619 1.00 0.04 C ATOM 572 C THR A 41 1.120 -12.561 -7.175 1.00 0.62 C ATOM 573 O THR A 41 0.375 -11.732 -6.676 1.00 -0.50 O ATOM 574 CB THR A 41 1.468 -13.703 -9.437 1.00 0.17 C ATOM 575 OG1 THR A 41 1.915 -13.421 -10.785 1.00 -0.55 O ATOM 576 CG2 THR A 41 0.021 -14.269 -9.455 1.00 -0.19 C ATOM 0 H THR A 41 2.879 -11.033 -9.538 1.00 -0.46 H new ATOM 0 HA THR A 41 0.821 -11.664 -8.985 1.00 0.04 H new ATOM 0 HB THR A 41 2.101 -14.460 -8.973 1.00 0.17 H new ATOM 0 HG1 THR A 41 1.872 -14.240 -11.322 1.00 -0.55 H new ATOM 0 HG21 THR A 41 -0.002 -15.191 -10.036 1.00 -0.19 H new ATOM 0 HG22 THR A 41 -0.302 -14.475 -8.434 1.00 -0.19 H new ATOM 0 HG23 THR A 41 -0.650 -13.539 -9.908 1.00 -0.19 H new ATOM 584 N GLU A 42 1.532 -13.628 -6.455 1.00 -0.46 N ATOM 585 CA GLU A 42 1.027 -13.819 -5.097 1.00 0.04 C ATOM 586 C GLU A 42 1.563 -12.675 -4.272 1.00 0.62 C ATOM 587 O GLU A 42 0.820 -12.044 -3.537 1.00 -0.50 O ATOM 588 CB GLU A 42 1.456 -15.202 -4.540 1.00 -0.18 C ATOM 589 CG GLU A 42 0.775 -15.560 -3.192 1.00 -0.40 C ATOM 590 CD GLU A 42 -0.720 -15.729 -3.275 1.00 0.71 C ATOM 591 OE1 GLU A 42 -1.263 -15.858 -4.405 1.00 -0.72 O ATOM 592 OE2 GLU A 42 -1.366 -15.743 -2.194 1.00 -0.72 O ATOM 0 H GLU A 42 2.186 -14.338 -6.783 1.00 -0.46 H new ATOM 0 HA GLU A 42 -0.063 -13.816 -5.071 1.00 0.04 H new ATOM 0 HB2 GLU A 42 1.218 -15.971 -5.275 1.00 -0.18 H new ATOM 0 HB3 GLU A 42 2.538 -15.212 -4.406 1.00 -0.18 H new ATOM 0 HG2 GLU A 42 1.212 -16.483 -2.812 1.00 -0.40 H new ATOM 0 HG3 GLU A 42 1.000 -14.778 -2.466 1.00 -0.40 H new ATOM 599 N ASP A 43 2.874 -12.371 -4.407 1.00 -0.46 N ATOM 600 CA ASP A 43 3.435 -11.269 -3.629 1.00 0.04 C ATOM 601 C ASP A 43 2.590 -10.018 -3.816 1.00 0.62 C ATOM 602 O ASP A 43 2.168 -9.398 -2.851 1.00 -0.50 O ATOM 603 CB ASP A 43 4.940 -11.054 -3.948 1.00 -0.40 C ATOM 604 CG ASP A 43 5.743 -12.308 -3.681 1.00 0.71 C ATOM 605 OD1 ASP A 43 6.056 -12.588 -2.494 1.00 -0.72 O ATOM 606 OD2 ASP A 43 6.091 -13.032 -4.653 1.00 -0.72 O ATOM 0 H ASP A 43 3.529 -12.855 -5.021 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.399 -11.523 -2.570 1.00 0.04 H new ATOM 0 HB2 ASP A 43 5.055 -10.762 -4.992 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 5.329 -10.235 -3.343 1.00 -0.40 H new ATOM 611 N ARG A 44 2.316 -9.663 -5.091 1.00 -0.46 N ATOM 612 CA ARG A 44 1.420 -8.550 -5.420 1.00 0.04 C ATOM 613 C ARG A 44 0.100 -8.629 -4.693 1.00 0.62 C ATOM 614 O ARG A 44 -0.346 -7.669 -4.081 1.00 -0.50 O ATOM 615 CB ARG A 44 1.256 -8.511 -6.965 1.00 -0.08 C ATOM 616 CG ARG A 44 0.311 -7.399 -7.487 1.00 -0.10 C ATOM 617 CD ARG A 44 -1.152 -7.893 -7.623 1.00 -0.23 C ATOM 618 NE ARG A 44 -1.967 -6.851 -8.250 1.00 -0.32 N ATOM 619 CZ ARG A 44 -2.019 -6.639 -9.550 1.00 0.76 C ATOM 620 NH1 ARG A 44 -1.297 -7.293 -10.426 1.00 -0.62 N ATOM 621 NH2 ARG A 44 -2.857 -5.740 -9.998 1.00 -0.62 N ATOM 0 H ARG A 44 2.707 -10.137 -5.905 1.00 -0.46 H new ATOM 0 HA ARG A 44 1.860 -7.613 -5.077 1.00 0.04 H new ATOM 0 HB2 ARG A 44 2.238 -8.377 -7.418 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 0.879 -9.477 -7.301 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 0.344 -6.547 -6.807 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 0.666 -7.048 -8.456 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -1.185 -8.803 -8.221 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 -1.555 -8.142 -6.641 1.00 -0.23 H new ATOM 0 HE ARG A 44 -2.529 -6.253 -7.644 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -0.647 -8.015 -10.114 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -1.385 -7.080 -11.420 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -3.448 -5.224 -9.346 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -2.919 -5.555 -10.999 1.00 -0.62 H new ATOM 635 N GLN A 45 -0.577 -9.787 -4.759 1.00 -0.46 N ATOM 636 CA GLN A 45 -1.915 -9.881 -4.178 1.00 0.04 C ATOM 637 C GLN A 45 -1.872 -9.734 -2.673 1.00 0.62 C ATOM 638 O GLN A 45 -2.707 -9.053 -2.096 1.00 -0.50 O ATOM 639 CB GLN A 45 -2.541 -11.253 -4.526 1.00 -0.10 C ATOM 640 CG GLN A 45 -2.846 -11.352 -6.045 1.00 -0.10 C ATOM 641 CD GLN A 45 -3.313 -12.694 -6.557 1.00 0.68 C ATOM 642 OE1 GLN A 45 -3.485 -12.794 -7.764 1.00 -0.47 O ATOM 643 NE2 GLN A 45 -3.532 -13.751 -5.748 1.00 -0.87 N ATOM 0 H GLN A 45 -0.230 -10.642 -5.195 1.00 -0.46 H new ATOM 0 HA GLN A 45 -2.516 -9.072 -4.593 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -1.860 -12.053 -4.235 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -3.460 -11.393 -3.956 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -3.608 -10.611 -6.288 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -1.945 -11.074 -6.592 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -3.387 -13.662 -4.742 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -3.843 -14.639 -6.142 1.00 -0.87 H new ATOM 652 N ILE A 46 -0.896 -10.377 -2.002 1.00 -0.46 N ATOM 653 CA ILE A 46 -0.852 -10.315 -0.539 1.00 0.04 C ATOM 654 C ILE A 46 -0.559 -8.888 -0.135 1.00 0.62 C ATOM 655 O ILE A 46 -1.248 -8.368 0.730 1.00 -0.50 O ATOM 656 CB ILE A 46 0.202 -11.277 0.078 1.00 -0.01 C ATOM 657 CG1 ILE A 46 -0.080 -12.767 -0.294 1.00 -0.05 C ATOM 658 CG2 ILE A 46 0.383 -11.076 1.622 1.00 -0.09 C ATOM 659 CD1 ILE A 46 -1.445 -13.327 0.207 1.00 -0.09 C ATOM 0 H ILE A 46 -0.154 -10.926 -2.437 1.00 -0.46 H new ATOM 0 HA ILE A 46 -1.819 -10.640 -0.155 1.00 0.04 H new ATOM 0 HB ILE A 46 1.158 -11.010 -0.372 1.00 -0.01 H new ATOM 0 HG12 ILE A 46 -0.040 -12.868 -1.379 1.00 -0.05 H new ATOM 0 HG13 ILE A 46 0.720 -13.385 0.114 1.00 -0.05 H new ATOM 0 HG21 ILE A 46 1.131 -11.776 1.995 1.00 -0.09 H new ATOM 0 HG22 ILE A 46 0.710 -10.055 1.820 1.00 -0.09 H new ATOM 0 HG23 ILE A 46 -0.566 -11.257 2.126 1.00 -0.09 H new ATOM 0 HD11 ILE A 46 -1.547 -14.368 -0.101 1.00 -0.09 H new ATOM 0 HD12 ILE A 46 -1.487 -13.265 1.294 1.00 -0.09 H new ATOM 0 HD13 ILE A 46 -2.258 -12.741 -0.221 1.00 -0.09 H new ATOM 671 N ALA A 47 0.450 -8.216 -0.737 1.00 -0.46 N ATOM 672 CA ALA A 47 0.722 -6.833 -0.349 1.00 0.04 C ATOM 673 C ALA A 47 -0.542 -6.023 -0.554 1.00 0.62 C ATOM 674 O ALA A 47 -1.003 -5.375 0.370 1.00 -0.50 O ATOM 675 CB ALA A 47 1.892 -6.225 -1.167 1.00 -0.10 C ATOM 0 H ALA A 47 1.059 -8.597 -1.461 1.00 -0.46 H new ATOM 0 HA ALA A 47 1.023 -6.811 0.699 1.00 0.04 H new ATOM 0 HB1 ALA A 47 2.063 -5.197 -0.849 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 2.796 -6.811 -1.000 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 1.641 -6.240 -2.228 1.00 -0.10 H new ATOM 681 N CYS A 48 -1.152 -6.081 -1.759 1.00 -0.46 N ATOM 682 CA CYS A 48 -2.425 -5.386 -1.998 1.00 0.04 C ATOM 683 C CYS A 48 -3.454 -5.740 -0.940 1.00 0.62 C ATOM 684 O CYS A 48 -4.177 -4.859 -0.501 1.00 -0.50 O ATOM 685 CB CYS A 48 -2.889 -5.706 -3.451 1.00 -0.10 C ATOM 686 SG CYS A 48 -4.551 -5.153 -3.966 1.00 0.82 S ATOM 0 H CYS A 48 -0.788 -6.592 -2.563 1.00 -0.46 H new ATOM 0 HA CYS A 48 -2.295 -4.307 -1.912 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -2.164 -5.267 -4.137 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -2.841 -6.787 -3.586 1.00 -0.10 H new ATOM 691 N THR A 49 -3.559 -7.018 -0.517 1.00 -0.46 N ATOM 692 CA THR A 49 -4.540 -7.392 0.514 1.00 0.04 C ATOM 693 C THR A 49 -4.186 -6.723 1.828 1.00 0.62 C ATOM 694 O THR A 49 -5.041 -6.180 2.511 1.00 -0.50 O ATOM 695 CB THR A 49 -4.601 -8.931 0.763 1.00 0.17 C ATOM 696 OG1 THR A 49 -4.913 -9.672 -0.432 1.00 -0.55 O ATOM 697 CG2 THR A 49 -5.691 -9.302 1.800 1.00 -0.19 C ATOM 0 H THR A 49 -2.990 -7.789 -0.866 1.00 -0.46 H new ATOM 0 HA THR A 49 -5.512 -7.063 0.147 1.00 0.04 H new ATOM 0 HB THR A 49 -3.607 -9.193 1.124 1.00 0.17 H new ATOM 0 HG1 THR A 49 -4.207 -9.532 -1.097 1.00 -0.55 H new ATOM 0 HG21 THR A 49 -5.702 -10.382 1.946 1.00 -0.19 H new ATOM 0 HG22 THR A 49 -5.474 -8.810 2.748 1.00 -0.19 H new ATOM 0 HG23 THR A 49 -6.665 -8.975 1.437 1.00 -0.19 H new ATOM 705 N CYS A 50 -2.899 -6.758 2.224 1.00 -0.46 N ATOM 706 CA CYS A 50 -2.500 -6.120 3.478 1.00 0.04 C ATOM 707 C CYS A 50 -2.668 -4.616 3.400 1.00 0.62 C ATOM 708 O CYS A 50 -3.094 -4.020 4.375 1.00 -0.50 O ATOM 709 CB CYS A 50 -1.003 -6.384 3.735 1.00 -0.10 C ATOM 710 SG CYS A 50 -0.639 -8.163 3.889 1.00 0.82 S ATOM 0 H CYS A 50 -2.144 -7.208 1.707 1.00 -0.46 H new ATOM 0 HA CYS A 50 -3.127 -6.531 4.270 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -0.416 -5.963 2.919 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -0.696 -5.871 4.646 1.00 -0.10 H new ATOM 715 N LEU A 51 -2.334 -3.983 2.255 1.00 -0.46 N ATOM 716 CA LEU A 51 -2.514 -2.535 2.120 1.00 0.04 C ATOM 717 C LEU A 51 -3.988 -2.234 2.288 1.00 0.62 C ATOM 718 O LEU A 51 -4.350 -1.328 3.023 1.00 -0.50 O ATOM 719 CB LEU A 51 -2.017 -2.035 0.731 1.00 -0.06 C ATOM 720 CG LEU A 51 -0.469 -2.148 0.539 1.00 -0.01 C ATOM 721 CD1 LEU A 51 -0.036 -2.063 -0.947 1.00 -0.11 C ATOM 722 CD2 LEU A 51 0.286 -1.044 1.323 1.00 -0.11 C ATOM 0 H LEU A 51 -1.947 -4.445 1.432 1.00 -0.46 H new ATOM 0 HA LEU A 51 -1.927 -2.018 2.880 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -2.514 -2.609 -0.051 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -2.315 -0.995 0.601 1.00 -0.06 H new ATOM 0 HG LEU A 51 -0.207 -3.133 0.926 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 1.049 -2.148 -1.015 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -0.499 -2.875 -1.508 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -0.352 -1.107 -1.364 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.359 -1.155 1.165 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -0.033 -0.064 0.970 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 0.064 -1.136 2.386 1.00 -0.11 H new ATOM 734 N LYS A 52 -4.857 -3.023 1.616 1.00 -0.46 N ATOM 735 CA LYS A 52 -6.300 -2.868 1.803 1.00 0.04 C ATOM 736 C LYS A 52 -6.633 -2.935 3.280 1.00 0.62 C ATOM 737 O LYS A 52 -7.420 -2.135 3.764 1.00 -0.50 O ATOM 738 CB LYS A 52 -7.046 -3.978 1.005 1.00 -0.10 C ATOM 739 CG LYS A 52 -8.578 -3.791 1.012 1.00 -0.16 C ATOM 740 CD LYS A 52 -9.316 -4.892 0.210 1.00 -0.18 C ATOM 741 CE LYS A 52 -10.849 -4.643 0.231 1.00 -0.04 C ATOM 742 NZ LYS A 52 -11.565 -5.394 -0.824 1.00 -0.14 N ATOM 0 H LYS A 52 -4.585 -3.753 0.958 1.00 -0.46 H new ATOM 0 HA LYS A 52 -6.623 -1.897 1.427 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -6.689 -3.981 -0.025 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -6.801 -4.952 1.430 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -8.936 -3.795 2.041 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -8.823 -2.815 0.593 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -8.957 -4.903 -0.819 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -9.094 -5.871 0.635 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -11.246 -4.927 1.206 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -11.041 -3.577 0.107 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -12.045 -4.726 -1.460 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -10.885 -5.962 -1.368 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -12.269 -6.022 -0.386 1.00 -0.14 H new ATOM 756 N SER A 53 -6.028 -3.900 4.007 1.00 -0.46 N ATOM 757 CA SER A 53 -6.307 -4.051 5.435 1.00 0.04 C ATOM 758 C SER A 53 -5.796 -2.853 6.208 1.00 0.62 C ATOM 759 O SER A 53 -6.507 -2.343 7.061 1.00 -0.50 O ATOM 760 CB SER A 53 -5.693 -5.355 6.017 1.00 0.02 C ATOM 761 OG SER A 53 -6.178 -6.544 5.362 1.00 -0.55 O ATOM 0 H SER A 53 -5.357 -4.570 3.630 1.00 -0.46 H new ATOM 0 HA SER A 53 -7.390 -4.116 5.542 1.00 0.04 H new ATOM 0 HB2 SER A 53 -4.608 -5.312 5.925 1.00 0.02 H new ATOM 0 HB3 SER A 53 -5.920 -5.414 7.081 1.00 0.02 H new ATOM 0 HG SER A 53 -5.867 -6.556 4.433 1.00 -0.55 H new ATOM 767 N ALA A 54 -4.557 -2.384 5.923 1.00 -0.46 N ATOM 768 CA ALA A 54 -4.032 -1.208 6.614 1.00 0.04 C ATOM 769 C ALA A 54 -5.005 -0.067 6.451 1.00 0.62 C ATOM 770 O ALA A 54 -5.365 0.554 7.440 1.00 -0.50 O ATOM 771 CB ALA A 54 -2.649 -0.759 6.067 1.00 -0.10 C ATOM 0 H ALA A 54 -3.926 -2.797 5.236 1.00 -0.46 H new ATOM 0 HA ALA A 54 -3.904 -1.479 7.662 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -2.308 0.118 6.617 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -1.929 -1.568 6.191 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -2.739 -0.512 5.009 1.00 -0.10 H new ATOM 777 N ALA A 55 -5.447 0.219 5.205 1.00 -0.46 N ATOM 778 CA ALA A 55 -6.343 1.356 5.013 1.00 0.04 C ATOM 779 C ALA A 55 -7.557 1.171 5.902 1.00 0.62 C ATOM 780 O ALA A 55 -7.929 2.094 6.609 1.00 -0.50 O ATOM 781 CB ALA A 55 -6.761 1.557 3.525 1.00 -0.10 C ATOM 0 H ALA A 55 -5.206 -0.300 4.361 1.00 -0.46 H new ATOM 0 HA ALA A 55 -5.807 2.264 5.292 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -7.427 2.417 3.447 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -5.873 1.730 2.918 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -7.277 0.665 3.168 1.00 -0.10 H new ATOM 787 N GLY A 56 -8.173 -0.037 5.893 1.00 -0.46 N ATOM 788 CA GLY A 56 -9.327 -0.282 6.763 1.00 0.04 C ATOM 789 C GLY A 56 -9.009 -0.083 8.231 1.00 0.62 C ATOM 790 O GLY A 56 -9.866 0.388 8.961 1.00 -0.50 O ATOM 0 H GLY A 56 -7.895 -0.827 5.310 1.00 -0.46 H new ATOM 0 HA2 GLY A 56 -10.139 0.387 6.478 1.00 0.04 H new ATOM 0 HA3 GLY A 56 -9.683 -1.300 6.608 1.00 0.04 H new ATOM 794 N ALA A 57 -7.796 -0.453 8.702 1.00 -0.46 N ATOM 795 CA ALA A 57 -7.468 -0.274 10.121 1.00 0.04 C ATOM 796 C ALA A 57 -7.358 1.186 10.510 1.00 0.62 C ATOM 797 O ALA A 57 -7.765 1.557 11.601 1.00 -0.50 O ATOM 798 CB ALA A 57 -6.106 -0.940 10.456 1.00 -0.10 C ATOM 0 H ALA A 57 -7.054 -0.864 8.135 1.00 -0.46 H new ATOM 0 HA ALA A 57 -8.283 -0.738 10.676 1.00 0.04 H new ATOM 0 HB1 ALA A 57 -5.881 -0.796 11.513 1.00 -0.10 H new ATOM 0 HB2 ALA A 57 -6.159 -2.007 10.238 1.00 -0.10 H new ATOM 0 HB3 ALA A 57 -5.320 -0.485 9.852 1.00 -0.10 H new ATOM 804 N ILE A 58 -6.775 2.037 9.640 1.00 -0.46 N ATOM 805 CA ILE A 58 -6.494 3.419 10.044 1.00 0.04 C ATOM 806 C ILE A 58 -7.784 4.212 10.140 1.00 0.62 C ATOM 807 O ILE A 58 -8.576 4.148 9.214 1.00 -0.50 O ATOM 808 CB ILE A 58 -5.544 4.124 9.041 1.00 -0.01 C ATOM 809 CG1 ILE A 58 -4.160 3.423 8.890 1.00 -0.05 C ATOM 810 CG2 ILE A 58 -5.380 5.643 9.358 1.00 -0.09 C ATOM 811 CD1 ILE A 58 -3.499 3.834 7.540 1.00 -0.09 C ATOM 0 H ILE A 58 -6.500 1.798 8.687 1.00 -0.46 H new ATOM 0 HA ILE A 58 -6.007 3.379 11.018 1.00 0.04 H new ATOM 0 HB ILE A 58 -6.034 4.035 8.071 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -3.511 3.699 9.721 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.285 2.341 8.929 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -4.706 6.096 8.630 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -6.352 6.133 9.306 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -4.966 5.763 10.359 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -2.532 3.340 7.443 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -4.144 3.536 6.713 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -3.358 4.915 7.518 1.00 -0.09 H new ATOM 823 N SER A 59 -8.033 4.971 11.234 1.00 -0.46 N ATOM 824 CA SER A 59 -9.316 5.669 11.383 1.00 0.04 C ATOM 825 C SER A 59 -9.437 6.874 10.470 1.00 0.62 C ATOM 826 O SER A 59 -10.394 6.951 9.716 1.00 -0.50 O ATOM 827 CB SER A 59 -9.551 6.113 12.853 1.00 0.02 C ATOM 828 OG SER A 59 -9.282 5.024 13.750 1.00 -0.55 O ATOM 0 H SER A 59 -7.377 5.109 12.003 1.00 -0.46 H new ATOM 0 HA SER A 59 -10.081 4.949 11.094 1.00 0.04 H new ATOM 0 HB2 SER A 59 -8.906 6.959 13.092 1.00 0.02 H new ATOM 0 HB3 SER A 59 -10.580 6.451 12.978 1.00 0.02 H new ATOM 0 HG SER A 59 -9.432 5.316 14.673 1.00 -0.55 H new ATOM 834 N GLY A 60 -8.485 7.839 10.501 1.00 -0.46 N ATOM 835 CA GLY A 60 -8.604 9.039 9.657 1.00 0.04 C ATOM 836 C GLY A 60 -7.968 8.842 8.299 1.00 0.62 C ATOM 837 O GLY A 60 -7.311 9.744 7.805 1.00 -0.50 O ATOM 0 H GLY A 60 -7.650 7.807 11.086 1.00 -0.46 H new ATOM 0 HA2 GLY A 60 -9.657 9.291 9.531 1.00 0.04 H new ATOM 0 HA3 GLY A 60 -8.132 9.884 10.159 1.00 0.04 H new ATOM 841 N ILE A 61 -8.155 7.660 7.674 1.00 -0.46 N ATOM 842 CA ILE A 61 -7.498 7.364 6.401 1.00 0.04 C ATOM 843 C ILE A 61 -7.990 8.294 5.324 1.00 0.62 C ATOM 844 O ILE A 61 -9.188 8.332 5.093 1.00 -0.50 O ATOM 845 CB ILE A 61 -7.647 5.863 5.994 1.00 -0.01 C ATOM 846 CG1 ILE A 61 -6.815 5.476 4.734 1.00 -0.05 C ATOM 847 CG2 ILE A 61 -9.101 5.305 5.923 1.00 -0.09 C ATOM 848 CD1 ILE A 61 -7.573 5.602 3.385 1.00 -0.09 C ATOM 0 H ILE A 61 -8.748 6.911 8.031 1.00 -0.46 H new ATOM 0 HA ILE A 61 -6.430 7.537 6.530 1.00 0.04 H new ATOM 0 HB ILE A 61 -7.209 5.351 6.851 1.00 -0.01 H new ATOM 0 HG12 ILE A 61 -5.927 6.107 4.695 1.00 -0.05 H new ATOM 0 HG13 ILE A 61 -6.471 4.448 4.846 1.00 -0.05 H new ATOM 0 HG21 ILE A 61 -9.074 4.255 5.631 1.00 -0.09 H new ATOM 0 HG22 ILE A 61 -9.574 5.398 6.900 1.00 -0.09 H new ATOM 0 HG23 ILE A 61 -9.673 5.872 5.188 1.00 -0.09 H new ATOM 0 HD11 ILE A 61 -6.913 5.311 2.568 1.00 -0.09 H new ATOM 0 HD12 ILE A 61 -8.446 4.949 3.396 1.00 -0.09 H new ATOM 0 HD13 ILE A 61 -7.894 6.634 3.243 1.00 -0.09 H new ATOM 860 N ASN A 62 -7.112 9.076 4.647 1.00 -0.46 N ATOM 861 CA ASN A 62 -7.606 9.985 3.606 1.00 0.04 C ATOM 862 C ASN A 62 -7.620 9.246 2.284 1.00 0.62 C ATOM 863 O ASN A 62 -6.564 8.819 1.839 1.00 -0.50 O ATOM 864 CB ASN A 62 -6.730 11.251 3.486 1.00 -0.09 C ATOM 865 CG ASN A 62 -7.425 12.284 2.626 1.00 0.68 C ATOM 866 OD1 ASN A 62 -8.593 12.554 2.831 1.00 -0.47 O ATOM 867 ND2 ASN A 62 -6.755 12.919 1.647 1.00 -0.87 N ATOM 0 H ASN A 62 -6.104 9.092 4.799 1.00 -0.46 H new ATOM 0 HA ASN A 62 -8.611 10.308 3.877 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -6.534 11.663 4.476 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -5.764 10.995 3.051 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -7.227 13.624 1.080 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -5.775 12.696 1.472 1.00 -0.87 H new ATOM 874 N LEU A 63 -8.803 9.071 1.649 1.00 -0.46 N ATOM 875 CA LEU A 63 -8.878 8.271 0.419 1.00 0.04 C ATOM 876 C LEU A 63 -7.902 8.821 -0.601 1.00 0.62 C ATOM 877 O LEU A 63 -7.083 8.076 -1.115 1.00 -0.50 O ATOM 878 CB LEU A 63 -10.355 8.205 -0.090 1.00 -0.06 C ATOM 879 CG LEU A 63 -10.640 7.133 -1.182 1.00 -0.01 C ATOM 880 CD1 LEU A 63 -12.160 6.793 -1.212 1.00 -0.11 C ATOM 881 CD2 LEU A 63 -10.197 7.563 -2.614 1.00 -0.11 C ATOM 0 H LEU A 63 -9.691 9.463 1.962 1.00 -0.46 H new ATOM 0 HA LEU A 63 -8.581 7.240 0.611 1.00 0.04 H new ATOM 0 HB2 LEU A 63 -11.006 8.012 0.762 1.00 -0.06 H new ATOM 0 HB3 LEU A 63 -10.629 9.183 -0.486 1.00 -0.06 H new ATOM 0 HG LEU A 63 -10.046 6.262 -0.906 1.00 -0.01 H new ATOM 0 HD11 LEU A 63 -12.350 6.042 -1.979 1.00 -0.11 H new ATOM 0 HD12 LEU A 63 -12.465 6.404 -0.240 1.00 -0.11 H new ATOM 0 HD13 LEU A 63 -12.730 7.694 -1.438 1.00 -0.11 H new ATOM 0 HD21 LEU A 63 -10.427 6.766 -3.321 1.00 -0.11 H new ATOM 0 HD22 LEU A 63 -10.729 8.469 -2.903 1.00 -0.11 H new ATOM 0 HD23 LEU A 63 -9.124 7.755 -2.621 1.00 -0.11 H new ATOM 893 N GLY A 64 -7.957 10.136 -0.906 1.00 -0.46 N ATOM 894 CA GLY A 64 -7.095 10.681 -1.960 1.00 0.04 C ATOM 895 C GLY A 64 -5.618 10.428 -1.748 1.00 0.62 C ATOM 896 O GLY A 64 -4.919 10.165 -2.716 1.00 -0.50 O ATOM 0 H GLY A 64 -8.569 10.814 -0.452 1.00 -0.46 H new ATOM 0 HA2 GLY A 64 -7.392 10.250 -2.916 1.00 0.04 H new ATOM 0 HA3 GLY A 64 -7.261 11.756 -2.030 1.00 0.04 H new ATOM 900 N LYS A 65 -5.107 10.524 -0.495 1.00 -0.46 N ATOM 901 CA LYS A 65 -3.674 10.297 -0.277 1.00 0.04 C ATOM 902 C LYS A 65 -3.412 8.825 -0.488 1.00 0.62 C ATOM 903 O LYS A 65 -2.472 8.487 -1.187 1.00 -0.50 O ATOM 904 CB LYS A 65 -3.192 10.695 1.145 1.00 -0.10 C ATOM 905 CG LYS A 65 -3.033 12.232 1.291 1.00 -0.16 C ATOM 906 CD LYS A 65 -2.801 12.633 2.773 1.00 -0.18 C ATOM 907 CE LYS A 65 -2.446 14.135 2.968 1.00 -0.04 C ATOM 908 NZ LYS A 65 -3.562 15.063 2.656 1.00 -0.14 N ATOM 0 H LYS A 65 -5.646 10.748 0.341 1.00 -0.46 H new ATOM 0 HA LYS A 65 -3.124 10.926 -0.977 1.00 0.04 H new ATOM 0 HB2 LYS A 65 -3.905 10.331 1.885 1.00 -0.10 H new ATOM 0 HB3 LYS A 65 -2.239 10.209 1.355 1.00 -0.10 H new ATOM 0 HG2 LYS A 65 -2.195 12.573 0.683 1.00 -0.16 H new ATOM 0 HG3 LYS A 65 -3.925 12.730 0.912 1.00 -0.16 H new ATOM 0 HD2 LYS A 65 -3.699 12.404 3.347 1.00 -0.18 H new ATOM 0 HD3 LYS A 65 -1.996 12.023 3.183 1.00 -0.18 H new ATOM 0 HE2 LYS A 65 -2.133 14.293 4.000 1.00 -0.04 H new ATOM 0 HE3 LYS A 65 -1.594 14.382 2.335 1.00 -0.04 H new ATOM 0 HZ1 LYS A 65 -3.193 16.030 2.560 1.00 -0.14 H new ATOM 0 HZ2 LYS A 65 -4.014 14.775 1.765 1.00 -0.14 H new ATOM 0 HZ3 LYS A 65 -4.262 15.035 3.424 1.00 -0.14 H new ATOM 922 N ALA A 66 -4.237 7.930 0.104 1.00 -0.46 N ATOM 923 CA ALA A 66 -4.008 6.496 -0.080 1.00 0.04 C ATOM 924 C ALA A 66 -4.144 6.119 -1.540 1.00 0.62 C ATOM 925 O ALA A 66 -3.190 5.635 -2.129 1.00 -0.50 O ATOM 926 CB ALA A 66 -4.990 5.718 0.827 1.00 -0.10 C ATOM 0 H ALA A 66 -5.036 8.172 0.690 1.00 -0.46 H new ATOM 0 HA ALA A 66 -2.991 6.233 0.211 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -4.831 4.647 0.701 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -4.817 5.990 1.868 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -6.015 5.968 0.552 1.00 -0.10 H new ATOM 932 N ALA A 67 -5.316 6.370 -2.162 1.00 -0.46 N ATOM 933 CA ALA A 67 -5.496 6.069 -3.584 1.00 0.04 C ATOM 934 C ALA A 67 -4.448 6.746 -4.449 1.00 0.62 C ATOM 935 O ALA A 67 -3.966 6.137 -5.393 1.00 -0.50 O ATOM 936 CB ALA A 67 -6.909 6.528 -4.026 1.00 -0.10 C ATOM 0 H ALA A 67 -6.134 6.773 -1.705 1.00 -0.46 H new ATOM 0 HA ALA A 67 -5.384 4.993 -3.716 1.00 0.04 H new ATOM 0 HB1 ALA A 67 -7.049 6.307 -5.084 1.00 -0.10 H new ATOM 0 HB2 ALA A 67 -7.662 6.000 -3.442 1.00 -0.10 H new ATOM 0 HB3 ALA A 67 -7.010 7.601 -3.863 1.00 -0.10 H new ATOM 942 N GLY A 68 -4.074 8.009 -4.143 1.00 -0.46 N ATOM 943 CA GLY A 68 -3.019 8.682 -4.907 1.00 0.04 C ATOM 944 C GLY A 68 -1.625 8.380 -4.404 1.00 0.62 C ATOM 945 O GLY A 68 -0.671 8.839 -5.013 1.00 -0.50 O ATOM 0 H GLY A 68 -4.480 8.565 -3.390 1.00 -0.46 H new ATOM 0 HA2 GLY A 68 -3.092 8.384 -5.953 1.00 0.04 H new ATOM 0 HA3 GLY A 68 -3.185 9.759 -4.870 1.00 0.04 H new ATOM 949 N LEU A 69 -1.454 7.617 -3.302 1.00 -0.46 N ATOM 950 CA LEU A 69 -0.110 7.319 -2.809 1.00 0.04 C ATOM 951 C LEU A 69 0.807 6.799 -3.899 1.00 0.62 C ATOM 952 O LEU A 69 1.909 7.325 -3.972 1.00 -0.50 O ATOM 953 CB LEU A 69 -0.131 6.346 -1.596 1.00 -0.06 C ATOM 954 CG LEU A 69 1.247 6.118 -0.906 1.00 -0.01 C ATOM 955 CD1 LEU A 69 1.840 7.459 -0.393 1.00 -0.11 C ATOM 956 CD2 LEU A 69 1.087 5.138 0.296 1.00 -0.11 C ATOM 0 H LEU A 69 -2.213 7.210 -2.756 1.00 -0.46 H new ATOM 0 HA LEU A 69 0.298 8.270 -2.466 1.00 0.04 H new ATOM 0 HB2 LEU A 69 -0.832 6.730 -0.855 1.00 -0.06 H new ATOM 0 HB3 LEU A 69 -0.516 5.383 -1.930 1.00 -0.06 H new ATOM 0 HG LEU A 69 1.926 5.691 -1.644 1.00 -0.01 H new ATOM 0 HD11 LEU A 69 2.802 7.272 0.085 1.00 -0.11 H new ATOM 0 HD12 LEU A 69 1.978 8.141 -1.232 1.00 -0.11 H new ATOM 0 HD13 LEU A 69 1.157 7.906 0.329 1.00 -0.11 H new ATOM 0 HD21 LEU A 69 2.056 4.985 0.772 1.00 -0.11 H new ATOM 0 HD22 LEU A 69 0.390 5.560 1.020 1.00 -0.11 H new ATOM 0 HD23 LEU A 69 0.704 4.183 -0.062 1.00 -0.11 H new ATOM 968 N PRO A 70 0.470 5.813 -4.779 1.00 -0.23 N ATOM 969 CA PRO A 70 1.422 5.435 -5.810 1.00 0.04 C ATOM 970 C PRO A 70 1.785 6.586 -6.714 1.00 0.53 C ATOM 971 O PRO A 70 2.886 6.575 -7.242 1.00 -0.50 O ATOM 972 CB PRO A 70 0.637 4.335 -6.567 1.00 -0.12 C ATOM 973 CG PRO A 70 -0.847 4.608 -6.223 1.00 -0.12 C ATOM 974 CD PRO A 70 -0.778 5.060 -4.747 1.00 -0.01 C ATOM 0 HA PRO A 70 2.384 5.108 -5.415 1.00 0.04 H new ATOM 0 HB2 PRO A 70 0.812 4.391 -7.641 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 0.942 3.339 -6.246 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -1.275 5.380 -6.863 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -1.461 3.716 -6.345 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -1.630 5.675 -4.458 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -0.742 4.220 -4.054 1.00 -0.01 H new ATOM 982 N SER A 71 0.894 7.584 -6.900 1.00 -0.46 N ATOM 983 CA SER A 71 1.273 8.734 -7.717 1.00 0.04 C ATOM 984 C SER A 71 2.298 9.558 -6.969 1.00 0.62 C ATOM 985 O SER A 71 3.309 9.928 -7.546 1.00 -0.50 O ATOM 986 CB SER A 71 0.023 9.577 -8.084 1.00 0.02 C ATOM 987 OG SER A 71 -1.037 8.707 -8.519 1.00 -0.55 O ATOM 0 H SER A 71 -0.049 7.611 -6.511 1.00 -0.46 H new ATOM 0 HA SER A 71 1.716 8.390 -8.652 1.00 0.04 H new ATOM 0 HB2 SER A 71 -0.302 10.159 -7.221 1.00 0.02 H new ATOM 0 HB3 SER A 71 0.270 10.288 -8.873 1.00 0.02 H new ATOM 0 HG SER A 71 -1.826 9.242 -8.748 1.00 -0.55 H new ATOM 993 N THR A 72 2.064 9.861 -5.672 1.00 -0.46 N ATOM 994 CA THR A 72 3.040 10.656 -4.921 1.00 0.04 C ATOM 995 C THR A 72 4.383 9.948 -4.933 1.00 0.62 C ATOM 996 O THR A 72 5.389 10.567 -5.243 1.00 -0.50 O ATOM 997 CB THR A 72 2.575 10.895 -3.461 1.00 0.17 C ATOM 998 OG1 THR A 72 1.195 11.328 -3.487 1.00 -0.55 O ATOM 999 CG2 THR A 72 3.508 11.917 -2.748 1.00 -0.19 C ATOM 0 H THR A 72 1.238 9.576 -5.146 1.00 -0.46 H new ATOM 0 HA THR A 72 3.132 11.630 -5.401 1.00 0.04 H new ATOM 0 HB THR A 72 2.638 9.972 -2.884 1.00 0.17 H new ATOM 0 HG1 THR A 72 0.883 11.482 -2.571 1.00 -0.55 H new ATOM 0 HG21 THR A 72 3.165 12.071 -1.725 1.00 -0.19 H new ATOM 0 HG22 THR A 72 4.527 11.531 -2.735 1.00 -0.19 H new ATOM 0 HG23 THR A 72 3.486 12.866 -3.285 1.00 -0.19 H new ATOM 1007 N CYS A 73 4.415 8.633 -4.606 1.00 -0.46 N ATOM 1008 CA CYS A 73 5.649 7.853 -4.721 1.00 0.04 C ATOM 1009 C CYS A 73 5.547 7.064 -6.006 1.00 0.62 C ATOM 1010 O CYS A 73 5.228 5.892 -5.926 1.00 -0.50 O ATOM 1011 CB CYS A 73 5.793 6.930 -3.481 1.00 -0.10 C ATOM 1012 SG CYS A 73 7.246 5.821 -3.609 1.00 0.82 S ATOM 0 H CYS A 73 3.610 8.107 -4.267 1.00 -0.46 H new ATOM 0 HA CYS A 73 6.536 8.486 -4.750 1.00 0.04 H new ATOM 0 HB2 CYS A 73 5.883 7.542 -2.583 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 4.889 6.331 -3.369 1.00 -0.10 H new ATOM 1017 N GLY A 74 5.804 7.679 -7.183 1.00 -0.46 N ATOM 1018 CA GLY A 74 5.740 6.942 -8.450 1.00 0.04 C ATOM 1019 C GLY A 74 6.191 5.498 -8.332 1.00 0.62 C ATOM 1020 O GLY A 74 7.378 5.284 -8.134 1.00 -0.50 O ATOM 0 H GLY A 74 6.052 8.664 -7.274 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 4.716 6.966 -8.824 1.00 0.04 H new ATOM 0 HA3 GLY A 74 6.361 7.449 -9.188 1.00 0.04 H new ATOM 1024 N VAL A 75 5.278 4.502 -8.449 1.00 -0.46 N ATOM 1025 CA VAL A 75 5.679 3.090 -8.419 1.00 0.04 C ATOM 1026 C VAL A 75 4.844 2.306 -9.401 1.00 0.62 C ATOM 1027 O VAL A 75 3.747 2.761 -9.679 1.00 -0.50 O ATOM 1028 CB VAL A 75 5.526 2.446 -7.017 1.00 -0.01 C ATOM 1029 CG1 VAL A 75 6.663 2.903 -6.061 1.00 -0.09 C ATOM 1030 CG2 VAL A 75 4.126 2.709 -6.397 1.00 -0.09 C ATOM 0 H VAL A 75 4.276 4.655 -8.563 1.00 -0.46 H new ATOM 0 HA VAL A 75 6.736 3.059 -8.685 1.00 0.04 H new ATOM 0 HB VAL A 75 5.613 1.368 -7.152 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 6.529 2.435 -5.086 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 7.627 2.608 -6.475 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 6.632 3.987 -5.951 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 4.068 2.238 -5.416 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 3.970 3.783 -6.294 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 3.356 2.291 -7.046 1.00 -0.09 H new ATOM 1040 N ASN A 76 5.330 1.161 -9.939 1.00 -0.46 N ATOM 1041 CA ASN A 76 4.571 0.446 -10.968 1.00 0.04 C ATOM 1042 C ASN A 76 3.642 -0.577 -10.357 1.00 0.62 C ATOM 1043 O ASN A 76 3.719 -1.742 -10.715 1.00 -0.50 O ATOM 1044 CB ASN A 76 5.564 -0.172 -11.995 1.00 -0.09 C ATOM 1045 CG ASN A 76 4.984 -0.769 -13.255 1.00 0.68 C ATOM 1046 OD1 ASN A 76 5.677 -1.565 -13.876 1.00 -0.47 O ATOM 1047 ND2 ASN A 76 3.774 -0.459 -13.750 1.00 -0.87 N ATOM 0 H ASN A 76 6.218 0.731 -9.681 1.00 -0.46 H new ATOM 0 HA ASN A 76 3.926 1.145 -11.501 1.00 0.04 H new ATOM 0 HB2 ASN A 76 6.273 0.603 -12.286 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 6.133 -0.950 -11.486 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 3.455 -0.884 -14.621 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 3.174 0.201 -13.255 1.00 -0.87 H new ATOM 1054 N ILE A 77 2.774 -0.149 -9.411 1.00 -0.46 N ATOM 1055 CA ILE A 77 1.841 -1.078 -8.770 1.00 0.04 C ATOM 1056 C ILE A 77 0.557 -1.059 -9.581 1.00 0.62 C ATOM 1057 O ILE A 77 0.037 0.038 -9.717 1.00 -0.50 O ATOM 1058 CB ILE A 77 1.618 -0.803 -7.246 1.00 -0.01 C ATOM 1059 CG1 ILE A 77 0.987 0.589 -6.886 1.00 -0.05 C ATOM 1060 CG2 ILE A 77 2.960 -1.064 -6.487 1.00 -0.09 C ATOM 1061 CD1 ILE A 77 0.775 0.816 -5.362 1.00 -0.09 C ATOM 0 H ILE A 77 2.707 0.816 -9.086 1.00 -0.46 H new ATOM 0 HA ILE A 77 2.269 -2.081 -8.773 1.00 0.04 H new ATOM 0 HB ILE A 77 0.850 -1.501 -6.913 1.00 -0.01 H new ATOM 0 HG12 ILE A 77 1.631 1.379 -7.274 1.00 -0.05 H new ATOM 0 HG13 ILE A 77 0.027 0.683 -7.393 1.00 -0.05 H new ATOM 0 HG21 ILE A 77 2.819 -0.876 -5.423 1.00 -0.09 H new ATOM 0 HG22 ILE A 77 3.266 -2.100 -6.635 1.00 -0.09 H new ATOM 0 HG23 ILE A 77 3.732 -0.399 -6.874 1.00 -0.09 H new ATOM 0 HD11 ILE A 77 0.336 1.800 -5.198 1.00 -0.09 H new ATOM 0 HD12 ILE A 77 0.106 0.050 -4.970 1.00 -0.09 H new ATOM 0 HD13 ILE A 77 1.735 0.757 -4.848 1.00 -0.09 H new ATOM 1073 N PRO A 78 -0.032 -2.152 -10.138 1.00 -0.23 N ATOM 1074 CA PRO A 78 -1.302 -2.005 -10.828 1.00 0.04 C ATOM 1075 C PRO A 78 -2.440 -2.212 -9.846 1.00 0.53 C ATOM 1076 O PRO A 78 -3.247 -3.110 -10.032 1.00 -0.50 O ATOM 1077 CB PRO A 78 -1.153 -3.086 -11.936 1.00 -0.12 C ATOM 1078 CG PRO A 78 -0.007 -4.026 -11.452 1.00 -0.12 C ATOM 1079 CD PRO A 78 0.512 -3.497 -10.089 1.00 -0.01 C ATOM 0 HA PRO A 78 -1.532 -1.029 -11.256 1.00 0.04 H new ATOM 0 HB2 PRO A 78 -2.083 -3.639 -12.072 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 -0.909 -2.632 -12.896 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 -0.372 -5.048 -11.349 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 0.801 -4.048 -12.184 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 0.134 -4.072 -9.244 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 1.600 -3.508 -10.021 1.00 -0.01 H new ATOM 1087 N TYR A 79 -2.533 -1.363 -8.794 1.00 -0.46 N ATOM 1088 CA TYR A 79 -3.701 -1.399 -7.911 1.00 0.04 C ATOM 1089 C TYR A 79 -3.787 -0.110 -7.122 1.00 0.62 C ATOM 1090 O TYR A 79 -2.775 0.558 -6.979 1.00 -0.50 O ATOM 1091 CB TYR A 79 -3.707 -2.630 -6.965 1.00 -0.10 C ATOM 1092 CG TYR A 79 -2.419 -2.687 -6.138 1.00 -0.03 C ATOM 1093 CD1 TYR A 79 -2.277 -1.857 -5.025 1.00 0.00 C ATOM 1094 CD2 TYR A 79 -1.375 -3.566 -6.473 1.00 0.00 C ATOM 1095 CE1 TYR A 79 -1.111 -1.906 -4.261 1.00 -0.26 C ATOM 1096 CE2 TYR A 79 -0.232 -3.646 -5.676 1.00 -0.26 C ATOM 1097 CZ TYR A 79 -0.102 -2.827 -4.554 1.00 0.46 C ATOM 1098 OH TYR A 79 1.022 -2.910 -3.727 1.00 -0.53 O ATOM 0 H TYR A 79 -1.829 -0.667 -8.549 1.00 -0.46 H new ATOM 0 HA TYR A 79 -4.583 -1.499 -8.543 1.00 0.04 H new ATOM 0 HB2 TYR A 79 -4.569 -2.579 -6.300 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -3.809 -3.544 -7.550 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -3.071 -1.176 -4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.458 -4.185 -7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.987 -1.224 -3.433 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 0.553 -4.343 -5.928 1.00 -0.26 H new ATOM 0 HH TYR A 79 1.834 -2.875 -4.274 1.00 -0.53 H new ATOM 1108 N LYS A 80 -4.988 0.242 -6.614 1.00 -0.46 N ATOM 1109 CA LYS A 80 -5.147 1.470 -5.837 1.00 0.04 C ATOM 1110 C LYS A 80 -5.108 1.093 -4.373 1.00 0.62 C ATOM 1111 O LYS A 80 -5.623 0.039 -4.037 1.00 -0.50 O ATOM 1112 CB LYS A 80 -6.506 2.130 -6.196 1.00 -0.10 C ATOM 1113 CG LYS A 80 -6.622 2.496 -7.705 1.00 -0.16 C ATOM 1114 CD LYS A 80 -5.695 3.641 -8.206 1.00 -0.18 C ATOM 1115 CE LYS A 80 -6.040 5.007 -7.563 1.00 -0.04 C ATOM 1116 NZ LYS A 80 -5.223 6.125 -8.093 1.00 -0.14 N ATOM 0 H LYS A 80 -5.843 -0.303 -6.730 1.00 -0.46 H new ATOM 0 HA LYS A 80 -4.352 2.183 -6.057 1.00 0.04 H new ATOM 0 HB2 LYS A 80 -7.316 1.451 -5.929 1.00 -0.10 H new ATOM 0 HB3 LYS A 80 -6.636 3.032 -5.598 1.00 -0.10 H new ATOM 0 HG2 LYS A 80 -6.411 1.602 -8.292 1.00 -0.16 H new ATOM 0 HG3 LYS A 80 -7.655 2.776 -7.911 1.00 -0.16 H new ATOM 0 HD2 LYS A 80 -4.658 3.389 -7.982 1.00 -0.18 H new ATOM 0 HD3 LYS A 80 -5.776 3.722 -9.290 1.00 -0.18 H new ATOM 0 HE2 LYS A 80 -7.095 5.225 -7.732 1.00 -0.04 H new ATOM 0 HE3 LYS A 80 -5.897 4.940 -6.485 1.00 -0.04 H new ATOM 0 HZ1 LYS A 80 -4.562 6.451 -7.359 1.00 -0.14 H new ATOM 0 HZ2 LYS A 80 -4.686 5.800 -8.922 1.00 -0.14 H new ATOM 0 HZ3 LYS A 80 -5.847 6.910 -8.370 1.00 -0.14 H new ATOM 1130 N ILE A 81 -4.510 1.901 -3.468 1.00 -0.46 N ATOM 1131 CA ILE A 81 -4.503 1.527 -2.050 1.00 0.04 C ATOM 1132 C ILE A 81 -5.812 2.025 -1.476 1.00 0.62 C ATOM 1133 O ILE A 81 -5.795 3.021 -0.773 1.00 -0.50 O ATOM 1134 CB ILE A 81 -3.211 2.041 -1.327 1.00 -0.01 C ATOM 1135 CG1 ILE A 81 -1.974 1.355 -1.999 1.00 -0.05 C ATOM 1136 CG2 ILE A 81 -3.300 1.739 0.206 1.00 -0.09 C ATOM 1137 CD1 ILE A 81 -0.593 1.960 -1.615 1.00 -0.09 C ATOM 0 H ILE A 81 -4.045 2.781 -3.689 1.00 -0.46 H new ATOM 0 HA ILE A 81 -4.450 0.449 -1.901 1.00 0.04 H new ATOM 0 HB ILE A 81 -3.108 3.121 -1.427 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -1.976 0.298 -1.734 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 -2.090 1.412 -3.081 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -2.398 2.099 0.701 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -4.170 2.243 0.626 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -3.393 0.664 0.360 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 0.198 1.417 -2.131 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -0.562 3.010 -1.906 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -0.447 1.878 -0.538 1.00 -0.09 H new ATOM 1149 N SER A 82 -6.954 1.350 -1.769 1.00 -0.46 N ATOM 1150 CA SER A 82 -8.256 1.811 -1.266 1.00 0.04 C ATOM 1151 C SER A 82 -8.970 0.703 -0.514 1.00 0.62 C ATOM 1152 O SER A 82 -8.850 -0.416 -0.986 1.00 -0.50 O ATOM 1153 CB SER A 82 -9.129 2.262 -2.462 1.00 0.02 C ATOM 1154 OG SER A 82 -8.438 3.313 -3.167 1.00 -0.55 O ATOM 0 H SER A 82 -6.992 0.505 -2.339 1.00 -0.46 H new ATOM 0 HA SER A 82 -8.092 2.643 -0.581 1.00 0.04 H new ATOM 0 HB2 SER A 82 -9.320 1.421 -3.129 1.00 0.02 H new ATOM 0 HB3 SER A 82 -10.098 2.616 -2.110 1.00 0.02 H new ATOM 0 HG SER A 82 -8.980 3.607 -3.929 1.00 -0.55 H new ATOM 1160 N PRO A 83 -9.722 0.901 0.603 1.00 -0.23 N ATOM 1161 CA PRO A 83 -10.432 -0.204 1.232 1.00 0.04 C ATOM 1162 C PRO A 83 -11.633 -0.593 0.404 1.00 0.53 C ATOM 1163 O PRO A 83 -12.757 -0.386 0.831 1.00 -0.50 O ATOM 1164 CB PRO A 83 -10.750 0.387 2.622 1.00 -0.12 C ATOM 1165 CG PRO A 83 -10.886 1.902 2.346 1.00 -0.12 C ATOM 1166 CD PRO A 83 -9.857 2.204 1.227 1.00 -0.01 C ATOM 0 HA PRO A 83 -9.886 -1.143 1.317 1.00 0.04 H new ATOM 0 HB2 PRO A 83 -11.668 -0.030 3.035 1.00 -0.12 H new ATOM 0 HB3 PRO A 83 -9.955 0.179 3.338 1.00 -0.12 H new ATOM 0 HG2 PRO A 83 -11.898 2.156 2.030 1.00 -0.12 H new ATOM 0 HG3 PRO A 83 -10.676 2.486 3.242 1.00 -0.12 H new ATOM 0 HD2 PRO A 83 -10.219 2.958 0.529 1.00 -0.01 H new ATOM 0 HD3 PRO A 83 -8.911 2.568 1.627 1.00 -0.01 H new ATOM 1174 N SER A 84 -11.416 -1.151 -0.811 1.00 -0.46 N ATOM 1175 CA SER A 84 -12.542 -1.561 -1.660 1.00 0.04 C ATOM 1176 C SER A 84 -12.074 -2.513 -2.750 1.00 0.62 C ATOM 1177 O SER A 84 -12.528 -3.648 -2.788 1.00 -0.50 O ATOM 1178 CB SER A 84 -13.258 -0.324 -2.261 1.00 0.02 C ATOM 1179 OG SER A 84 -14.365 -0.719 -3.087 1.00 -0.55 O ATOM 0 H SER A 84 -10.493 -1.321 -1.211 1.00 -0.46 H new ATOM 0 HA SER A 84 -13.264 -2.093 -1.040 1.00 0.04 H new ATOM 0 HB2 SER A 84 -13.612 0.322 -1.457 1.00 0.02 H new ATOM 0 HB3 SER A 84 -12.550 0.259 -2.850 1.00 0.02 H new ATOM 0 HG SER A 84 -14.801 0.079 -3.453 1.00 -0.55 H new ATOM 1185 N THR A 85 -11.135 -2.076 -3.625 1.00 -0.46 N ATOM 1186 CA THR A 85 -10.628 -2.955 -4.685 1.00 0.04 C ATOM 1187 C THR A 85 -10.317 -4.342 -4.180 1.00 0.62 C ATOM 1188 O THR A 85 -9.873 -4.473 -3.051 1.00 -0.50 O ATOM 1189 CB THR A 85 -9.318 -2.390 -5.310 1.00 0.17 C ATOM 1190 OG1 THR A 85 -8.873 -3.141 -6.454 1.00 -0.55 O ATOM 1191 CG2 THR A 85 -8.163 -2.249 -4.275 1.00 -0.19 C ATOM 0 H THR A 85 -10.727 -1.141 -3.613 1.00 -0.46 H new ATOM 0 HA THR A 85 -11.424 -3.003 -5.429 1.00 0.04 H new ATOM 0 HB THR A 85 -9.582 -1.389 -5.651 1.00 0.17 H new ATOM 0 HG1 THR A 85 -8.050 -2.743 -6.807 1.00 -0.55 H new ATOM 0 HG21 THR A 85 -7.277 -1.851 -4.770 1.00 -0.19 H new ATOM 0 HG22 THR A 85 -8.469 -1.571 -3.478 1.00 -0.19 H new ATOM 0 HG23 THR A 85 -7.933 -3.226 -3.851 1.00 -0.19 H new ATOM 1199 N ASP A 86 -10.525 -5.397 -4.996 1.00 -0.46 N ATOM 1200 CA ASP A 86 -10.139 -6.743 -4.571 1.00 0.04 C ATOM 1201 C ASP A 86 -8.682 -6.979 -4.926 1.00 0.62 C ATOM 1202 O ASP A 86 -8.195 -6.357 -5.858 1.00 -0.50 O ATOM 1203 CB ASP A 86 -11.037 -7.818 -5.237 1.00 -0.40 C ATOM 1204 CG ASP A 86 -10.966 -7.655 -6.729 1.00 0.71 C ATOM 1205 OD1 ASP A 86 -11.644 -6.721 -7.236 1.00 -0.72 O ATOM 1206 OD2 ASP A 86 -10.221 -8.429 -7.385 1.00 -0.72 O ATOM 0 H ASP A 86 -10.945 -5.340 -5.924 1.00 -0.46 H new ATOM 0 HA ASP A 86 -10.271 -6.824 -3.492 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -10.706 -8.816 -4.951 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -12.067 -7.714 -4.895 1.00 -0.40 H new ATOM 1211 N CYS A 87 -7.976 -7.862 -4.177 1.00 -0.46 N ATOM 1212 CA CYS A 87 -6.589 -8.214 -4.502 1.00 0.04 C ATOM 1213 C CYS A 87 -6.476 -9.698 -4.826 1.00 0.62 C ATOM 1214 O CYS A 87 -5.925 -10.047 -5.856 1.00 -0.50 O ATOM 1215 CB CYS A 87 -5.694 -7.896 -3.276 1.00 -0.10 C ATOM 1216 SG CYS A 87 -5.810 -6.163 -2.728 1.00 0.82 S ATOM 0 H CYS A 87 -8.348 -8.335 -3.353 1.00 -0.46 H new ATOM 0 HA CYS A 87 -6.269 -7.639 -5.371 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -5.975 -8.550 -2.451 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -4.657 -8.123 -3.524 1.00 -0.10 H new ATOM 1221 N SER A 88 -6.980 -10.613 -3.965 1.00 -0.46 N ATOM 1222 CA SER A 88 -6.850 -12.047 -4.245 1.00 0.04 C ATOM 1223 C SER A 88 -7.326 -12.445 -5.627 1.00 0.62 C ATOM 1224 O SER A 88 -6.782 -13.395 -6.168 1.00 -0.50 O ATOM 1225 CB SER A 88 -7.681 -12.849 -3.212 1.00 0.02 C ATOM 1226 OG SER A 88 -9.031 -12.352 -3.265 1.00 -0.55 O ATOM 0 H SER A 88 -7.465 -10.386 -3.097 1.00 -0.46 H new ATOM 0 HA SER A 88 -5.785 -12.271 -4.183 1.00 0.04 H new ATOM 0 HB2 SER A 88 -7.655 -13.914 -3.443 1.00 0.02 H new ATOM 0 HB3 SER A 88 -7.267 -12.729 -2.211 1.00 0.02 H new ATOM 0 HG SER A 88 -9.585 -12.842 -2.622 1.00 -0.55 H new ATOM 1232 N LYS A 89 -8.327 -11.754 -6.223 1.00 -0.46 N ATOM 1233 CA LYS A 89 -8.833 -12.156 -7.540 1.00 0.04 C ATOM 1234 C LYS A 89 -8.148 -11.405 -8.660 1.00 0.62 C ATOM 1235 O LYS A 89 -8.794 -11.063 -9.639 1.00 -0.50 O ATOM 1236 CB LYS A 89 -10.369 -11.929 -7.614 1.00 -0.10 C ATOM 1237 CG LYS A 89 -11.168 -12.590 -6.460 1.00 -0.16 C ATOM 1238 CD LYS A 89 -11.031 -14.135 -6.449 1.00 -0.18 C ATOM 1239 CE LYS A 89 -11.998 -14.808 -5.438 1.00 -0.04 C ATOM 1240 NZ LYS A 89 -13.404 -14.828 -5.909 1.00 -0.14 N ATOM 0 H LYS A 89 -8.785 -10.937 -5.819 1.00 -0.46 H new ATOM 0 HA LYS A 89 -8.613 -13.216 -7.667 1.00 0.04 H new ATOM 0 HB2 LYS A 89 -10.567 -10.857 -7.610 1.00 -0.10 H new ATOM 0 HB3 LYS A 89 -10.737 -12.317 -8.564 1.00 -0.10 H new ATOM 0 HG2 LYS A 89 -10.820 -12.191 -5.507 1.00 -0.16 H new ATOM 0 HG3 LYS A 89 -12.221 -12.323 -6.552 1.00 -0.16 H new ATOM 0 HD2 LYS A 89 -11.228 -14.522 -7.449 1.00 -0.18 H new ATOM 0 HD3 LYS A 89 -10.005 -14.404 -6.200 1.00 -0.18 H new ATOM 0 HE2 LYS A 89 -11.668 -15.830 -5.253 1.00 -0.04 H new ATOM 0 HE3 LYS A 89 -11.947 -14.279 -4.486 1.00 -0.04 H new ATOM 0 HZ1 LYS A 89 -14.003 -15.289 -5.194 1.00 -0.14 H new ATOM 0 HZ2 LYS A 89 -13.733 -13.853 -6.061 1.00 -0.14 H new ATOM 0 HZ3 LYS A 89 -13.463 -15.356 -6.803 1.00 -0.14 H new ATOM 1254 N VAL A 90 -6.830 -11.139 -8.564 1.00 -0.46 N ATOM 1255 CA VAL A 90 -6.160 -10.460 -9.672 1.00 0.04 C ATOM 1256 C VAL A 90 -5.815 -11.476 -10.741 1.00 0.62 C ATOM 1257 O VAL A 90 -5.267 -12.513 -10.401 1.00 -0.50 O ATOM 1258 CB VAL A 90 -4.896 -9.691 -9.204 1.00 -0.01 C ATOM 1259 CG1 VAL A 90 -3.951 -9.423 -10.405 1.00 -0.09 C ATOM 1260 CG2 VAL A 90 -5.299 -8.370 -8.480 1.00 -0.09 C ATOM 0 H VAL A 90 -6.238 -11.374 -7.767 1.00 -0.46 H new ATOM 0 HA VAL A 90 -6.840 -9.715 -10.084 1.00 0.04 H new ATOM 0 HB VAL A 90 -4.352 -10.306 -8.487 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 -3.069 -8.883 -10.061 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 -3.646 -10.372 -10.847 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 -4.473 -8.826 -11.153 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 -4.401 -7.843 -8.158 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 -5.865 -7.738 -9.164 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 -5.913 -8.604 -7.611 1.00 -0.09 H new ATOM 1270 N GLN A 91 -6.112 -11.185 -12.029 1.00 -0.46 N ATOM 1271 CA GLN A 91 -5.718 -12.076 -13.117 1.00 0.04 C ATOM 1272 C GLN A 91 -4.486 -11.491 -13.774 1.00 0.52 C ATOM 1273 O GLN A 91 -3.456 -11.316 -13.068 1.00 -0.71 O ATOM 1274 CB GLN A 91 -6.908 -12.224 -14.105 1.00 -0.10 C ATOM 1275 CG GLN A 91 -8.192 -12.745 -13.399 1.00 -0.10 C ATOM 1276 CD GLN A 91 -9.400 -12.969 -14.280 1.00 0.68 C ATOM 1277 OE1 GLN A 91 -10.397 -13.431 -13.743 1.00 -0.47 O ATOM 1278 NE2 GLN A 91 -9.414 -12.684 -15.598 1.00 -0.87 N ATOM 1279 OXT GLN A 91 -4.530 -11.188 -14.997 1.00 -0.71 O ATOM 0 H GLN A 91 -6.616 -10.350 -12.326 1.00 -0.46 H new ATOM 0 HA GLN A 91 -5.472 -13.075 -12.757 1.00 0.04 H new ATOM 0 HB2 GLN A 91 -7.116 -11.260 -14.569 1.00 -0.10 H new ATOM 0 HB3 GLN A 91 -6.631 -12.910 -14.906 1.00 -0.10 H new ATOM 0 HG2 GLN A 91 -7.952 -13.686 -12.903 1.00 -0.10 H new ATOM 0 HG3 GLN A 91 -8.465 -12.034 -12.619 1.00 -0.10 H new ATOM 0 HE21 GLN A 91 -8.582 -12.299 -16.045 1.00 -0.87 H new ATOM 0 HE22 GLN A 91 -10.256 -12.854 -16.148 1.00 -0.87 H new TER 1288 GLN A 91