USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 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 89 THR OG1 : rot -72:sc= 1.31 USER MOD Set 1.2: A 91 ASN : amide:sc= 0 X(o=1.3,f=1.5) USER MOD Set 2.1: A 27 TYR OH : rot 15:sc= 0.561 USER MOD Set 2.2: A 31 LYS NZ :NH3+ -142:sc= 0.602 (180deg=0) USER MOD Set 3.1: A 22 GLN : amide:sc= 0.0379 X(o=0.077,f=-0.0053) USER MOD Set 3.2: A 26 LYS NZ :NH3+ -130:sc= 0.0396 (180deg=0) USER MOD Set 4.1: A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 11 CYS SG : rot -51:sc= 0.604 USER MOD Set 5.2: A 87 TYR OH : rot 47:sc= 0.705 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.085 (180deg=0) USER MOD Single : A 4 SER OG : rot -68:sc= 1.24 USER MOD Single : A 5 MET CE :methyl -123:sc= -0.869 (180deg=-1.51) USER MOD Single : A 6 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.74) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0588 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 79:sc= 0.197 USER MOD Single : A 32 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.32) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00356 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 14:sc= 0.493! USER MOD Single : A 60 GLN : amide:sc= -0.0355 K(o=-0.036,f=-1.4) USER MOD Single : A 61 SER OG : rot 170:sc= -0.37 USER MOD Single : A 64 ASN : amide:sc= -0.744 X(o=-0.74,f=-0.35) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 17:sc= -0.1 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0178 USER MOD Single : A 90 MET CE :methyl -164:sc= -0.182 (180deg=-0.876) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.42) USER MOD Single : A 101 ASN : amide:sc= -0.547 K(o=-0.55,f=-1.9) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -30:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.126 -16.663 -8.515 1.00 33.14 N ATOM 2 CA GLY A 1 13.802 -16.585 -7.102 1.00 35.31 C ATOM 3 C GLY A 1 12.339 -16.871 -6.827 1.00 21.24 C ATOM 4 O GLY A 1 11.577 -17.236 -7.721 1.00 72.13 O ATOM 0 H1 GLY A 1 14.940 -17.296 -8.650 1.00 33.14 H new ATOM 0 H2 GLY A 1 13.308 -17.034 -9.039 1.00 33.14 H new ATOM 0 H3 GLY A 1 14.363 -15.715 -8.870 1.00 33.14 H new ATOM 0 HA2 GLY A 1 14.418 -17.296 -6.551 1.00 35.31 H new ATOM 0 HA3 GLY A 1 14.051 -15.591 -6.729 1.00 35.31 H new ATOM 8 N PRO A 2 11.929 -16.707 -5.560 1.00 74.41 N ATOM 9 CA PRO A 2 10.545 -16.947 -5.139 1.00 53.11 C ATOM 10 C PRO A 2 9.582 -15.900 -5.690 1.00 63.04 C ATOM 11 O PRO A 2 10.001 -14.914 -6.294 1.00 3.35 O ATOM 12 CB PRO A 2 10.617 -16.855 -3.613 1.00 32.42 C ATOM 13 CG PRO A 2 11.799 -15.990 -3.342 1.00 10.15 C ATOM 14 CD PRO A 2 12.783 -16.275 -4.442 1.00 21.12 C ATOM 0 HA PRO A 2 10.168 -17.902 -5.505 1.00 53.11 H new ATOM 0 HB2 PRO A 2 9.706 -16.422 -3.199 1.00 32.42 H new ATOM 0 HB3 PRO A 2 10.735 -17.840 -3.162 1.00 32.42 H new ATOM 0 HG2 PRO A 2 11.518 -14.937 -3.333 1.00 10.15 H new ATOM 0 HG3 PRO A 2 12.230 -16.213 -2.366 1.00 10.15 H new ATOM 0 HD2 PRO A 2 13.365 -15.390 -4.700 1.00 21.12 H new ATOM 0 HD3 PRO A 2 13.493 -17.051 -4.155 1.00 21.12 H new ATOM 22 N GLY A 3 8.289 -16.123 -5.479 1.00 33.05 N ATOM 23 CA GLY A 3 7.287 -15.190 -5.961 1.00 20.11 C ATOM 24 C GLY A 3 7.295 -13.883 -5.193 1.00 51.21 C ATOM 25 O GLY A 3 7.430 -12.811 -5.782 1.00 14.31 O ATOM 0 H GLY A 3 7.917 -16.933 -4.983 1.00 33.05 H new ATOM 0 HA2 GLY A 3 7.462 -14.988 -7.018 1.00 20.11 H new ATOM 0 HA3 GLY A 3 6.301 -15.648 -5.883 1.00 20.11 H new ATOM 29 N SER A 4 7.148 -13.972 -3.875 1.00 23.05 N ATOM 30 CA SER A 4 7.133 -12.786 -3.026 1.00 22.33 C ATOM 31 C SER A 4 5.966 -11.873 -3.388 1.00 21.02 C ATOM 32 O SER A 4 5.231 -12.135 -4.340 1.00 72.01 O ATOM 33 CB SER A 4 8.453 -12.023 -3.158 1.00 13.44 C ATOM 34 OG SER A 4 8.361 -11.014 -4.149 1.00 11.30 O ATOM 0 H SER A 4 7.038 -14.852 -3.372 1.00 23.05 H new ATOM 0 HA SER A 4 7.010 -13.110 -1.993 1.00 22.33 H new ATOM 0 HB2 SER A 4 8.714 -11.574 -2.200 1.00 13.44 H new ATOM 0 HB3 SER A 4 9.254 -12.717 -3.414 1.00 13.44 H new ATOM 0 HG SER A 4 8.274 -11.430 -5.032 1.00 11.30 H new ATOM 40 N MET A 5 5.802 -10.801 -2.619 1.00 74.11 N ATOM 41 CA MET A 5 4.724 -9.848 -2.859 1.00 33.13 C ATOM 42 C MET A 5 5.255 -8.419 -2.875 1.00 44.31 C ATOM 43 O MET A 5 6.241 -8.107 -2.209 1.00 15.44 O ATOM 44 CB MET A 5 3.641 -9.991 -1.787 1.00 51.41 C ATOM 45 CG MET A 5 2.389 -9.179 -2.077 1.00 43.53 C ATOM 46 SD MET A 5 0.964 -9.737 -1.124 1.00 52.35 S ATOM 47 CE MET A 5 1.485 -9.325 0.538 1.00 21.43 C ATOM 0 H MET A 5 6.401 -10.571 -1.826 1.00 74.11 H new ATOM 0 HA MET A 5 4.290 -10.066 -3.835 1.00 33.13 H new ATOM 0 HB2 MET A 5 3.369 -11.042 -1.695 1.00 51.41 H new ATOM 0 HB3 MET A 5 4.050 -9.682 -0.825 1.00 51.41 H new ATOM 0 HG2 MET A 5 2.582 -8.129 -1.855 1.00 43.53 H new ATOM 0 HG3 MET A 5 2.158 -9.242 -3.140 1.00 43.53 H new ATOM 0 HE1 MET A 5 1.468 -10.222 1.157 1.00 21.43 H new ATOM 0 HE2 MET A 5 2.497 -8.921 0.512 1.00 21.43 H new ATOM 0 HE3 MET A 5 0.808 -8.581 0.958 1.00 21.43 H new ATOM 57 N ASN A 6 4.596 -7.555 -3.640 1.00 42.22 N ATOM 58 CA ASN A 6 5.005 -6.159 -3.744 1.00 34.20 C ATOM 59 C ASN A 6 3.867 -5.229 -3.333 1.00 2.42 C ATOM 60 O ASN A 6 2.720 -5.418 -3.739 1.00 14.04 O ATOM 61 CB ASN A 6 5.449 -5.840 -5.172 1.00 53.40 C ATOM 62 CG ASN A 6 6.214 -6.984 -5.809 1.00 15.50 C ATOM 63 OD1 ASN A 6 5.635 -8.011 -6.163 1.00 30.33 O ATOM 64 ND2 ASN A 6 7.522 -6.811 -5.957 1.00 2.23 N ATOM 0 H ASN A 6 3.776 -7.797 -4.197 1.00 42.22 H new ATOM 0 HA ASN A 6 5.844 -6.000 -3.067 1.00 34.20 H new ATOM 0 HB2 ASN A 6 4.573 -5.610 -5.779 1.00 53.40 H new ATOM 0 HB3 ASN A 6 6.075 -4.948 -5.164 1.00 53.40 H new ATOM 0 HD21 ASN A 6 8.089 -7.546 -6.379 1.00 2.23 H new ATOM 0 HD22 ASN A 6 7.960 -5.943 -5.649 1.00 2.23 H new ATOM 71 N ILE A 7 4.194 -4.223 -2.528 1.00 70.11 N ATOM 72 CA ILE A 7 3.200 -3.263 -2.065 1.00 3.22 C ATOM 73 C ILE A 7 3.505 -1.862 -2.586 1.00 54.23 C ATOM 74 O ILE A 7 4.666 -1.467 -2.696 1.00 55.12 O ATOM 75 CB ILE A 7 3.131 -3.221 -0.527 1.00 23.23 C ATOM 76 CG1 ILE A 7 2.827 -4.614 0.030 1.00 1.01 C ATOM 77 CG2 ILE A 7 2.080 -2.221 -0.070 1.00 4.10 C ATOM 78 CD1 ILE A 7 4.002 -5.254 0.734 1.00 64.12 C ATOM 0 H ILE A 7 5.139 -4.052 -2.183 1.00 70.11 H new ATOM 0 HA ILE A 7 2.237 -3.593 -2.455 1.00 3.22 H new ATOM 0 HB ILE A 7 4.100 -2.900 -0.144 1.00 23.23 H new ATOM 0 HG12 ILE A 7 1.991 -4.543 0.726 1.00 1.01 H new ATOM 0 HG13 ILE A 7 2.507 -5.261 -0.787 1.00 1.01 H new ATOM 0 HG21 ILE A 7 2.044 -2.203 1.019 1.00 4.10 H new ATOM 0 HG22 ILE A 7 2.337 -1.229 -0.441 1.00 4.10 H new ATOM 0 HG23 ILE A 7 1.105 -2.513 -0.461 1.00 4.10 H new ATOM 0 HD11 ILE A 7 3.713 -6.238 1.102 1.00 64.12 H new ATOM 0 HD12 ILE A 7 4.832 -5.357 0.036 1.00 64.12 H new ATOM 0 HD13 ILE A 7 4.309 -4.628 1.572 1.00 64.12 H new ATOM 90 N LEU A 8 2.454 -1.115 -2.905 1.00 11.02 N ATOM 91 CA LEU A 8 2.607 0.244 -3.413 1.00 63.13 C ATOM 92 C LEU A 8 1.998 1.258 -2.450 1.00 62.03 C ATOM 93 O LEU A 8 0.877 1.081 -1.972 1.00 73.35 O ATOM 94 CB LEU A 8 1.951 0.372 -4.790 1.00 31.44 C ATOM 95 CG LEU A 8 2.401 1.560 -5.640 1.00 74.21 C ATOM 96 CD1 LEU A 8 1.882 2.864 -5.053 1.00 63.13 C ATOM 97 CD2 LEU A 8 3.918 1.590 -5.754 1.00 4.21 C ATOM 0 H LEU A 8 1.487 -1.427 -2.821 1.00 11.02 H new ATOM 0 HA LEU A 8 3.673 0.453 -3.504 1.00 63.13 H new ATOM 0 HB2 LEU A 8 2.145 -0.543 -5.349 1.00 31.44 H new ATOM 0 HB3 LEU A 8 0.872 0.438 -4.651 1.00 31.44 H new ATOM 0 HG LEU A 8 1.984 1.445 -6.640 1.00 74.21 H new ATOM 0 HD11 LEU A 8 2.212 3.698 -5.672 1.00 63.13 H new ATOM 0 HD12 LEU A 8 0.793 2.842 -5.025 1.00 63.13 H new ATOM 0 HD13 LEU A 8 2.269 2.987 -4.041 1.00 63.13 H new ATOM 0 HD21 LEU A 8 4.220 2.442 -6.363 1.00 4.21 H new ATOM 0 HD22 LEU A 8 4.356 1.680 -4.760 1.00 4.21 H new ATOM 0 HD23 LEU A 8 4.266 0.669 -6.221 1.00 4.21 H new ATOM 109 N LEU A 9 2.742 2.323 -2.172 1.00 20.21 N ATOM 110 CA LEU A 9 2.275 3.367 -1.267 1.00 62.03 C ATOM 111 C LEU A 9 2.256 4.723 -1.965 1.00 43.53 C ATOM 112 O LEU A 9 3.274 5.179 -2.486 1.00 71.33 O ATOM 113 CB LEU A 9 3.167 3.432 -0.027 1.00 32.13 C ATOM 114 CG LEU A 9 2.547 4.078 1.212 1.00 24.14 C ATOM 115 CD1 LEU A 9 2.613 3.128 2.399 1.00 4.53 C ATOM 116 CD2 LEU A 9 3.247 5.389 1.537 1.00 52.42 C ATOM 0 H LEU A 9 3.671 2.486 -2.560 1.00 20.21 H new ATOM 0 HA LEU A 9 1.258 3.121 -0.962 1.00 62.03 H new ATOM 0 HB2 LEU A 9 3.472 2.418 0.231 1.00 32.13 H new ATOM 0 HB3 LEU A 9 4.073 3.981 -0.284 1.00 32.13 H new ATOM 0 HG LEU A 9 1.499 4.291 1.001 1.00 24.14 H new ATOM 0 HD11 LEU A 9 2.167 3.605 3.272 1.00 4.53 H new ATOM 0 HD12 LEU A 9 2.066 2.215 2.165 1.00 4.53 H new ATOM 0 HD13 LEU A 9 3.654 2.883 2.611 1.00 4.53 H new ATOM 0 HD21 LEU A 9 2.792 5.835 2.422 1.00 52.42 H new ATOM 0 HD22 LEU A 9 4.303 5.200 1.728 1.00 52.42 H new ATOM 0 HD23 LEU A 9 3.148 6.073 0.694 1.00 52.42 H new ATOM 128 N VAL A 10 1.092 5.365 -1.971 1.00 22.43 N ATOM 129 CA VAL A 10 0.941 6.670 -2.602 1.00 11.34 C ATOM 130 C VAL A 10 0.967 7.788 -1.565 1.00 20.54 C ATOM 131 O VAL A 10 0.058 7.906 -0.742 1.00 3.44 O ATOM 132 CB VAL A 10 -0.371 6.759 -3.403 1.00 73.31 C ATOM 133 CG1 VAL A 10 -0.441 8.069 -4.172 1.00 2.23 C ATOM 134 CG2 VAL A 10 -0.500 5.571 -4.344 1.00 70.13 C ATOM 0 H VAL A 10 0.239 5.002 -1.545 1.00 22.43 H new ATOM 0 HA VAL A 10 1.783 6.790 -3.284 1.00 11.34 H new ATOM 0 HB VAL A 10 -1.206 6.733 -2.703 1.00 73.31 H new ATOM 0 HG11 VAL A 10 -1.375 8.113 -4.732 1.00 2.23 H new ATOM 0 HG12 VAL A 10 -0.397 8.904 -3.473 1.00 2.23 H new ATOM 0 HG13 VAL A 10 0.399 8.130 -4.864 1.00 2.23 H new ATOM 0 HG21 VAL A 10 -1.433 5.649 -4.903 1.00 70.13 H new ATOM 0 HG22 VAL A 10 0.340 5.564 -5.039 1.00 70.13 H new ATOM 0 HG23 VAL A 10 -0.500 4.647 -3.766 1.00 70.13 H new ATOM 144 N CYS A 11 2.012 8.606 -1.610 1.00 73.21 N ATOM 145 CA CYS A 11 2.156 9.716 -0.675 1.00 23.31 C ATOM 146 C CYS A 11 3.401 10.537 -0.993 1.00 64.31 C ATOM 147 O CYS A 11 4.526 10.059 -0.852 1.00 23.14 O ATOM 148 CB CYS A 11 2.229 9.193 0.761 1.00 62.32 C ATOM 149 SG CYS A 11 2.576 10.469 1.994 1.00 33.45 S ATOM 0 H CYS A 11 2.773 8.522 -2.284 1.00 73.21 H new ATOM 0 HA CYS A 11 1.283 10.360 -0.776 1.00 23.31 H new ATOM 0 HB2 CYS A 11 1.284 8.711 1.009 1.00 62.32 H new ATOM 0 HB3 CYS A 11 3.002 8.427 0.819 1.00 62.32 H new ATOM 0 HG CYS A 11 3.623 11.149 1.632 1.00 33.45 H new ATOM 155 N GLY A 12 3.192 11.776 -1.426 1.00 13.15 N ATOM 156 CA GLY A 12 4.306 12.644 -1.759 1.00 61.32 C ATOM 157 C GLY A 12 5.102 13.062 -0.539 1.00 33.52 C ATOM 158 O GLY A 12 4.553 13.637 0.400 1.00 21.15 O ATOM 0 H GLY A 12 2.270 12.195 -1.552 1.00 13.15 H new ATOM 0 HA2 GLY A 12 4.965 12.131 -2.460 1.00 61.32 H new ATOM 0 HA3 GLY A 12 3.931 13.533 -2.266 1.00 61.32 H new ATOM 162 N ALA A 13 6.399 12.771 -0.551 1.00 72.33 N ATOM 163 CA ALA A 13 7.270 13.121 0.564 1.00 71.13 C ATOM 164 C ALA A 13 8.582 13.720 0.068 1.00 63.34 C ATOM 165 O ALA A 13 9.247 13.151 -0.797 1.00 62.24 O ATOM 166 CB ALA A 13 7.540 11.897 1.427 1.00 53.21 C ATOM 0 H ALA A 13 6.869 12.294 -1.320 1.00 72.33 H new ATOM 0 HA ALA A 13 6.762 13.873 1.168 1.00 71.13 H new ATOM 0 HB1 ALA A 13 8.192 12.173 2.256 1.00 53.21 H new ATOM 0 HB2 ALA A 13 6.598 11.513 1.818 1.00 53.21 H new ATOM 0 HB3 ALA A 13 8.024 11.127 0.826 1.00 53.21 H new ATOM 172 N GLY A 14 8.948 14.872 0.620 1.00 22.44 N ATOM 173 CA GLY A 14 10.179 15.529 0.221 1.00 41.03 C ATOM 174 C GLY A 14 11.390 14.984 0.951 1.00 45.12 C ATOM 175 O GLY A 14 12.142 15.739 1.569 1.00 75.25 O ATOM 0 H GLY A 14 8.414 15.363 1.337 1.00 22.44 H new ATOM 0 HA2 GLY A 14 10.321 15.407 -0.853 1.00 41.03 H new ATOM 0 HA3 GLY A 14 10.095 16.599 0.412 1.00 41.03 H new ATOM 179 N MET A 15 11.581 13.671 0.882 1.00 12.04 N ATOM 180 CA MET A 15 12.710 13.026 1.543 1.00 72.11 C ATOM 181 C MET A 15 13.019 11.679 0.899 1.00 21.12 C ATOM 182 O MET A 15 12.112 10.938 0.521 1.00 41.35 O ATOM 183 CB MET A 15 12.416 12.838 3.033 1.00 44.33 C ATOM 184 CG MET A 15 11.049 12.235 3.311 1.00 21.11 C ATOM 185 SD MET A 15 9.915 13.409 4.077 1.00 62.24 S ATOM 186 CE MET A 15 10.167 13.040 5.812 1.00 73.22 C ATOM 0 H MET A 15 10.968 13.032 0.375 1.00 12.04 H new ATOM 0 HA MET A 15 13.582 13.670 1.431 1.00 72.11 H new ATOM 0 HB2 MET A 15 13.182 12.196 3.468 1.00 44.33 H new ATOM 0 HB3 MET A 15 12.487 13.804 3.534 1.00 44.33 H new ATOM 0 HG2 MET A 15 10.618 11.876 2.377 1.00 21.11 H new ATOM 0 HG3 MET A 15 11.164 11.369 3.963 1.00 21.11 H new ATOM 0 HE1 MET A 15 9.532 13.687 6.418 1.00 73.22 H new ATOM 0 HE2 MET A 15 9.911 11.998 6.003 1.00 73.22 H new ATOM 0 HE3 MET A 15 11.212 13.210 6.072 1.00 73.22 H new ATOM 196 N SER A 16 14.306 11.367 0.779 1.00 72.41 N ATOM 197 CA SER A 16 14.734 10.110 0.177 1.00 65.53 C ATOM 198 C SER A 16 14.153 8.920 0.933 1.00 71.51 C ATOM 199 O SER A 16 13.579 8.008 0.335 1.00 73.13 O ATOM 200 CB SER A 16 16.262 10.022 0.162 1.00 24.30 C ATOM 201 OG SER A 16 16.822 10.682 1.284 1.00 12.42 O ATOM 0 H SER A 16 15.070 11.967 1.091 1.00 72.41 H new ATOM 0 HA SER A 16 14.365 10.082 -0.848 1.00 65.53 H new ATOM 0 HB2 SER A 16 16.569 8.976 0.161 1.00 24.30 H new ATOM 0 HB3 SER A 16 16.646 10.468 -0.755 1.00 24.30 H new ATOM 0 HG SER A 16 17.799 10.610 1.252 1.00 12.42 H new ATOM 207 N THR A 17 14.305 8.933 2.254 1.00 52.13 N ATOM 208 CA THR A 17 13.796 7.856 3.093 1.00 25.20 C ATOM 209 C THR A 17 12.344 8.101 3.482 1.00 15.32 C ATOM 210 O THR A 17 11.780 9.154 3.185 1.00 43.15 O ATOM 211 CB THR A 17 14.639 7.695 4.372 1.00 33.22 C ATOM 212 OG1 THR A 17 14.454 8.828 5.226 1.00 3.40 O ATOM 213 CG2 THR A 17 16.114 7.544 4.032 1.00 24.24 C ATOM 0 H THR A 17 14.777 9.679 2.766 1.00 52.13 H new ATOM 0 HA THR A 17 13.861 6.940 2.506 1.00 25.20 H new ATOM 0 HB THR A 17 14.308 6.794 4.889 1.00 33.22 H new ATOM 0 HG1 THR A 17 14.992 8.717 6.038 1.00 3.40 H new ATOM 0 HG21 THR A 17 16.690 7.432 4.951 1.00 24.24 H new ATOM 0 HG22 THR A 17 16.255 6.663 3.406 1.00 24.24 H new ATOM 0 HG23 THR A 17 16.456 8.429 3.495 1.00 24.24 H new ATOM 221 N SER A 18 11.741 7.123 4.152 1.00 40.12 N ATOM 222 CA SER A 18 10.352 7.232 4.579 1.00 1.13 C ATOM 223 C SER A 18 10.124 6.473 5.883 1.00 34.43 C ATOM 224 O SER A 18 10.461 5.294 5.996 1.00 55.44 O ATOM 225 CB SER A 18 9.417 6.695 3.494 1.00 61.34 C ATOM 226 OG SER A 18 9.510 7.471 2.312 1.00 61.13 O ATOM 0 H SER A 18 12.194 6.246 4.410 1.00 40.12 H new ATOM 0 HA SER A 18 10.132 8.286 4.748 1.00 1.13 H new ATOM 0 HB2 SER A 18 9.669 5.658 3.273 1.00 61.34 H new ATOM 0 HB3 SER A 18 8.390 6.703 3.858 1.00 61.34 H new ATOM 0 HG SER A 18 8.904 7.107 1.633 1.00 61.13 H new ATOM 232 N MET A 19 9.550 7.158 6.866 1.00 34.44 N ATOM 233 CA MET A 19 9.275 6.549 8.163 1.00 71.43 C ATOM 234 C MET A 19 8.465 5.267 8.001 1.00 15.11 C ATOM 235 O MET A 19 8.853 4.208 8.497 1.00 34.10 O ATOM 236 CB MET A 19 8.523 7.531 9.063 1.00 75.04 C ATOM 237 CG MET A 19 9.351 8.738 9.471 1.00 10.35 C ATOM 238 SD MET A 19 8.563 10.301 9.038 1.00 65.13 S ATOM 239 CE MET A 19 9.993 11.367 8.878 1.00 3.53 C ATOM 0 H MET A 19 9.266 8.135 6.790 1.00 34.44 H new ATOM 0 HA MET A 19 10.229 6.299 8.628 1.00 71.43 H new ATOM 0 HB2 MET A 19 7.628 7.874 8.544 1.00 75.04 H new ATOM 0 HB3 MET A 19 8.192 7.008 9.960 1.00 75.04 H new ATOM 0 HG2 MET A 19 9.523 8.708 10.547 1.00 10.35 H new ATOM 0 HG3 MET A 19 10.328 8.683 8.990 1.00 10.35 H new ATOM 0 HE1 MET A 19 9.669 12.373 8.612 1.00 3.53 H new ATOM 0 HE2 MET A 19 10.532 11.398 9.825 1.00 3.53 H new ATOM 0 HE3 MET A 19 10.650 10.980 8.099 1.00 3.53 H new ATOM 249 N LEU A 20 7.339 5.368 7.304 1.00 40.43 N ATOM 250 CA LEU A 20 6.473 4.216 7.076 1.00 42.41 C ATOM 251 C LEU A 20 7.266 3.045 6.505 1.00 72.34 C ATOM 252 O LEU A 20 7.255 1.945 7.059 1.00 12.40 O ATOM 253 CB LEU A 20 5.335 4.589 6.124 1.00 21.02 C ATOM 254 CG LEU A 20 4.024 5.019 6.783 1.00 13.52 C ATOM 255 CD1 LEU A 20 3.045 5.533 5.739 1.00 62.33 C ATOM 256 CD2 LEU A 20 3.415 3.864 7.565 1.00 3.52 C ATOM 0 H LEU A 20 7.004 6.236 6.887 1.00 40.43 H new ATOM 0 HA LEU A 20 6.051 3.913 8.034 1.00 42.41 H new ATOM 0 HB2 LEU A 20 5.677 5.399 5.480 1.00 21.02 H new ATOM 0 HB3 LEU A 20 5.131 3.734 5.480 1.00 21.02 H new ATOM 0 HG LEU A 20 4.239 5.829 7.480 1.00 13.52 H new ATOM 0 HD11 LEU A 20 2.118 5.834 6.227 1.00 62.33 H new ATOM 0 HD12 LEU A 20 3.479 6.390 5.224 1.00 62.33 H new ATOM 0 HD13 LEU A 20 2.835 4.744 5.017 1.00 62.33 H new ATOM 0 HD21 LEU A 20 2.483 4.189 8.027 1.00 3.52 H new ATOM 0 HD22 LEU A 20 3.215 3.033 6.889 1.00 3.52 H new ATOM 0 HD23 LEU A 20 4.111 3.542 8.340 1.00 3.52 H new ATOM 268 N VAL A 21 7.954 3.288 5.394 1.00 73.42 N ATOM 269 CA VAL A 21 8.755 2.253 4.749 1.00 1.41 C ATOM 270 C VAL A 21 9.740 1.630 5.731 1.00 70.30 C ATOM 271 O VAL A 21 9.973 0.421 5.708 1.00 14.41 O ATOM 272 CB VAL A 21 9.533 2.817 3.545 1.00 25.53 C ATOM 273 CG1 VAL A 21 10.378 1.728 2.900 1.00 51.21 C ATOM 274 CG2 VAL A 21 8.578 3.431 2.534 1.00 51.21 C ATOM 0 H VAL A 21 7.973 4.192 4.922 1.00 73.42 H new ATOM 0 HA VAL A 21 8.063 1.487 4.399 1.00 1.41 H new ATOM 0 HB VAL A 21 10.202 3.601 3.900 1.00 25.53 H new ATOM 0 HG11 VAL A 21 10.921 2.144 2.051 1.00 51.21 H new ATOM 0 HG12 VAL A 21 11.088 1.338 3.629 1.00 51.21 H new ATOM 0 HG13 VAL A 21 9.731 0.921 2.557 1.00 51.21 H new ATOM 0 HG21 VAL A 21 9.145 3.824 1.690 1.00 51.21 H new ATOM 0 HG22 VAL A 21 7.883 2.669 2.181 1.00 51.21 H new ATOM 0 HG23 VAL A 21 8.020 4.240 3.005 1.00 51.21 H new ATOM 284 N GLN A 22 10.316 2.463 6.592 1.00 30.22 N ATOM 285 CA GLN A 22 11.277 1.992 7.583 1.00 41.20 C ATOM 286 C GLN A 22 10.629 0.998 8.541 1.00 12.42 C ATOM 287 O GLN A 22 11.152 -0.092 8.768 1.00 71.30 O ATOM 288 CB GLN A 22 11.854 3.172 8.366 1.00 51.11 C ATOM 289 CG GLN A 22 13.210 3.635 7.858 1.00 4.40 C ATOM 290 CD GLN A 22 14.136 4.068 8.977 1.00 24.25 C ATOM 291 OE1 GLN A 22 14.572 3.250 9.789 1.00 13.22 O ATOM 292 NE2 GLN A 22 14.443 5.359 9.026 1.00 2.13 N ATOM 0 H GLN A 22 10.134 3.466 6.623 1.00 30.22 H new ATOM 0 HA GLN A 22 12.085 1.485 7.056 1.00 41.20 H new ATOM 0 HB2 GLN A 22 11.154 4.006 8.319 1.00 51.11 H new ATOM 0 HB3 GLN A 22 11.945 2.891 9.415 1.00 51.11 H new ATOM 0 HG2 GLN A 22 13.678 2.827 7.296 1.00 4.40 H new ATOM 0 HG3 GLN A 22 13.070 4.465 7.166 1.00 4.40 H new ATOM 0 HE21 GLN A 22 14.059 6.001 8.333 1.00 2.13 H new ATOM 0 HE22 GLN A 22 15.063 5.708 9.757 1.00 2.13 H new ATOM 301 N ARG A 23 9.488 1.384 9.102 1.00 13.42 N ATOM 302 CA ARG A 23 8.769 0.528 10.038 1.00 55.25 C ATOM 303 C ARG A 23 8.403 -0.803 9.387 1.00 72.01 C ATOM 304 O ARG A 23 8.755 -1.870 9.891 1.00 11.24 O ATOM 305 CB ARG A 23 7.504 1.229 10.536 1.00 55.34 C ATOM 306 CG ARG A 23 7.751 2.636 11.056 1.00 24.41 C ATOM 307 CD ARG A 23 7.420 2.748 12.536 1.00 32.41 C ATOM 308 NE ARG A 23 8.394 3.566 13.254 1.00 52.30 N ATOM 309 CZ ARG A 23 9.646 3.188 13.481 1.00 44.44 C ATOM 310 NH1 ARG A 23 10.076 2.011 13.047 1.00 42.44 N ATOM 311 NH2 ARG A 23 10.473 3.989 14.141 1.00 21.33 N ATOM 0 H ARG A 23 9.042 2.284 8.925 1.00 13.42 H new ATOM 0 HA ARG A 23 9.424 0.330 10.886 1.00 55.25 H new ATOM 0 HB2 ARG A 23 6.780 1.273 9.723 1.00 55.34 H new ATOM 0 HB3 ARG A 23 7.056 0.631 11.330 1.00 55.34 H new ATOM 0 HG2 ARG A 23 8.794 2.907 10.894 1.00 24.41 H new ATOM 0 HG3 ARG A 23 7.146 3.345 10.492 1.00 24.41 H new ATOM 0 HD2 ARG A 23 6.426 3.181 12.654 1.00 32.41 H new ATOM 0 HD3 ARG A 23 7.388 1.752 12.977 1.00 32.41 H new ATOM 0 HE ARG A 23 8.096 4.478 13.600 1.00 52.30 H new ATOM 0 HH11 ARG A 23 9.444 1.394 12.537 1.00 42.44 H new ATOM 0 HH12 ARG A 23 11.039 1.723 13.223 1.00 42.44 H new ATOM 0 HH21 ARG A 23 10.147 4.896 14.474 1.00 21.33 H new ATOM 0 HH22 ARG A 23 11.435 3.698 14.315 1.00 21.33 H new ATOM 325 N ILE A 24 7.695 -0.732 8.265 1.00 41.54 N ATOM 326 CA ILE A 24 7.282 -1.930 7.544 1.00 4.53 C ATOM 327 C ILE A 24 8.484 -2.802 7.195 1.00 34.14 C ATOM 328 O ILE A 24 8.455 -4.018 7.384 1.00 33.25 O ATOM 329 CB ILE A 24 6.525 -1.576 6.250 1.00 20.42 C ATOM 330 CG1 ILE A 24 5.293 -0.728 6.571 1.00 41.25 C ATOM 331 CG2 ILE A 24 6.126 -2.843 5.509 1.00 73.25 C ATOM 332 CD1 ILE A 24 5.126 0.464 5.654 1.00 0.15 C ATOM 0 H ILE A 24 7.395 0.143 7.835 1.00 41.54 H new ATOM 0 HA ILE A 24 6.614 -2.483 8.205 1.00 4.53 H new ATOM 0 HB ILE A 24 7.184 -0.994 5.606 1.00 20.42 H new ATOM 0 HG12 ILE A 24 4.403 -1.354 6.506 1.00 41.25 H new ATOM 0 HG13 ILE A 24 5.361 -0.378 7.601 1.00 41.25 H new ATOM 0 HG21 ILE A 24 5.592 -2.578 4.597 1.00 73.25 H new ATOM 0 HG22 ILE A 24 7.020 -3.412 5.254 1.00 73.25 H new ATOM 0 HG23 ILE A 24 5.480 -3.448 6.145 1.00 73.25 H new ATOM 0 HD11 ILE A 24 4.233 1.020 5.939 1.00 0.15 H new ATOM 0 HD12 ILE A 24 5.999 1.112 5.737 1.00 0.15 H new ATOM 0 HD13 ILE A 24 5.026 0.120 4.625 1.00 0.15 H new ATOM 344 N GLU A 25 9.538 -2.172 6.688 1.00 24.21 N ATOM 345 CA GLU A 25 10.749 -2.892 6.314 1.00 5.10 C ATOM 346 C GLU A 25 11.361 -3.594 7.523 1.00 35.22 C ATOM 347 O GLU A 25 11.874 -4.708 7.416 1.00 73.24 O ATOM 348 CB GLU A 25 11.771 -1.932 5.698 1.00 34.52 C ATOM 349 CG GLU A 25 11.487 -1.593 4.245 1.00 72.44 C ATOM 350 CD GLU A 25 12.396 -2.335 3.284 1.00 61.52 C ATOM 351 OE1 GLU A 25 12.059 -3.480 2.914 1.00 4.13 O ATOM 352 OE2 GLU A 25 13.443 -1.772 2.903 1.00 60.01 O ATOM 0 H GLU A 25 9.578 -1.166 6.527 1.00 24.21 H new ATOM 0 HA GLU A 25 10.478 -3.647 5.576 1.00 5.10 H new ATOM 0 HB2 GLU A 25 11.789 -1.011 6.281 1.00 34.52 H new ATOM 0 HB3 GLU A 25 12.764 -2.375 5.772 1.00 34.52 H new ATOM 0 HG2 GLU A 25 10.449 -1.833 4.016 1.00 72.44 H new ATOM 0 HG3 GLU A 25 11.606 -0.520 4.096 1.00 72.44 H new ATOM 359 N LYS A 26 11.303 -2.934 8.675 1.00 10.04 N ATOM 360 CA LYS A 26 11.848 -3.492 9.906 1.00 25.04 C ATOM 361 C LYS A 26 11.077 -4.738 10.328 1.00 33.10 C ATOM 362 O LYS A 26 11.645 -5.824 10.441 1.00 63.02 O ATOM 363 CB LYS A 26 11.807 -2.450 11.026 1.00 60.10 C ATOM 364 CG LYS A 26 13.180 -1.970 11.461 1.00 3.35 C ATOM 365 CD LYS A 26 13.897 -1.238 10.339 1.00 22.11 C ATOM 366 CE LYS A 26 14.893 -0.224 10.882 1.00 74.02 C ATOM 367 NZ LYS A 26 15.842 0.238 9.831 1.00 23.53 N ATOM 0 H LYS A 26 10.883 -2.010 8.781 1.00 10.04 H new ATOM 0 HA LYS A 26 12.884 -3.774 9.719 1.00 25.04 H new ATOM 0 HB2 LYS A 26 11.221 -1.594 10.693 1.00 60.10 H new ATOM 0 HB3 LYS A 26 11.290 -2.874 11.887 1.00 60.10 H new ATOM 0 HG2 LYS A 26 13.079 -1.309 12.322 1.00 3.35 H new ATOM 0 HG3 LYS A 26 13.779 -2.822 11.782 1.00 3.35 H new ATOM 0 HD2 LYS A 26 14.417 -1.958 9.707 1.00 22.11 H new ATOM 0 HD3 LYS A 26 13.166 -0.731 9.709 1.00 22.11 H new ATOM 0 HE2 LYS A 26 14.355 0.633 11.287 1.00 74.02 H new ATOM 0 HE3 LYS A 26 15.451 -0.669 11.706 1.00 74.02 H new ATOM 0 HZ1 LYS A 26 16.817 0.162 10.186 1.00 23.53 H new ATOM 0 HZ2 LYS A 26 15.735 -0.354 8.982 1.00 23.53 H new ATOM 0 HZ3 LYS A 26 15.638 1.229 9.590 1.00 23.53 H new ATOM 381 N TYR A 27 9.779 -4.575 10.558 1.00 54.42 N ATOM 382 CA TYR A 27 8.929 -5.685 10.968 1.00 71.20 C ATOM 383 C TYR A 27 9.081 -6.868 10.015 1.00 2.42 C ATOM 384 O TYR A 27 9.250 -8.008 10.446 1.00 22.13 O ATOM 385 CB TYR A 27 7.465 -5.244 11.021 1.00 42.12 C ATOM 386 CG TYR A 27 6.501 -6.374 11.303 1.00 4.32 C ATOM 387 CD1 TYR A 27 5.959 -7.126 10.269 1.00 45.21 C ATOM 388 CD2 TYR A 27 6.132 -6.689 12.605 1.00 3.14 C ATOM 389 CE1 TYR A 27 5.078 -8.158 10.522 1.00 73.41 C ATOM 390 CE2 TYR A 27 5.253 -7.721 12.869 1.00 54.53 C ATOM 391 CZ TYR A 27 4.728 -8.452 11.823 1.00 31.32 C ATOM 392 OH TYR A 27 3.849 -9.480 12.081 1.00 23.03 O ATOM 0 H TYR A 27 9.292 -3.683 10.467 1.00 54.42 H new ATOM 0 HA TYR A 27 9.242 -6.000 11.964 1.00 71.20 H new ATOM 0 HB2 TYR A 27 7.352 -4.481 11.791 1.00 42.12 H new ATOM 0 HB3 TYR A 27 7.200 -4.780 10.071 1.00 42.12 H new ATOM 0 HD1 TYR A 27 6.232 -6.899 9.249 1.00 45.21 H new ATOM 0 HD2 TYR A 27 6.540 -6.117 13.425 1.00 3.14 H new ATOM 0 HE1 TYR A 27 4.665 -8.732 9.706 1.00 73.41 H new ATOM 0 HE2 TYR A 27 4.978 -7.954 13.887 1.00 54.53 H new ATOM 0 HH TYR A 27 3.757 -10.040 11.282 1.00 23.03 H new ATOM 402 N ALA A 28 9.019 -6.586 8.718 1.00 20.14 N ATOM 403 CA ALA A 28 9.152 -7.623 7.704 1.00 60.31 C ATOM 404 C ALA A 28 10.537 -8.262 7.749 1.00 13.43 C ATOM 405 O ALA A 28 10.667 -9.486 7.775 1.00 11.45 O ATOM 406 CB ALA A 28 8.879 -7.049 6.322 1.00 31.40 C ATOM 0 H ALA A 28 8.877 -5.647 8.345 1.00 20.14 H new ATOM 0 HA ALA A 28 8.416 -8.398 7.915 1.00 60.31 H new ATOM 0 HB1 ALA A 28 8.982 -7.836 5.574 1.00 31.40 H new ATOM 0 HB2 ALA A 28 7.866 -6.647 6.289 1.00 31.40 H new ATOM 0 HB3 ALA A 28 9.593 -6.252 6.111 1.00 31.40 H new ATOM 412 N LYS A 29 11.568 -7.424 7.758 1.00 10.01 N ATOM 413 CA LYS A 29 12.944 -7.905 7.800 1.00 34.41 C ATOM 414 C LYS A 29 13.175 -8.784 9.025 1.00 0.02 C ATOM 415 O LYS A 29 14.012 -9.687 9.004 1.00 75.31 O ATOM 416 CB LYS A 29 13.918 -6.725 7.815 1.00 41.31 C ATOM 417 CG LYS A 29 15.378 -7.142 7.852 1.00 24.03 C ATOM 418 CD LYS A 29 16.247 -6.208 7.027 1.00 14.51 C ATOM 419 CE LYS A 29 17.622 -6.805 6.770 1.00 31.31 C ATOM 420 NZ LYS A 29 18.470 -5.909 5.937 1.00 30.12 N ATOM 0 H LYS A 29 11.477 -6.408 7.737 1.00 10.01 H new ATOM 0 HA LYS A 29 13.121 -8.503 6.906 1.00 34.41 H new ATOM 0 HB2 LYS A 29 13.746 -6.112 6.930 1.00 41.31 H new ATOM 0 HB3 LYS A 29 13.705 -6.100 8.682 1.00 41.31 H new ATOM 0 HG2 LYS A 29 15.729 -7.150 8.884 1.00 24.03 H new ATOM 0 HG3 LYS A 29 15.476 -8.160 7.474 1.00 24.03 H new ATOM 0 HD2 LYS A 29 15.757 -5.999 6.076 1.00 14.51 H new ATOM 0 HD3 LYS A 29 16.354 -5.256 7.547 1.00 14.51 H new ATOM 0 HE2 LYS A 29 18.119 -6.994 7.721 1.00 31.31 H new ATOM 0 HE3 LYS A 29 17.512 -7.768 6.271 1.00 31.31 H new ATOM 0 HZ1 LYS A 29 19.398 -6.352 5.785 1.00 30.12 H new ATOM 0 HZ2 LYS A 29 18.008 -5.749 5.019 1.00 30.12 H new ATOM 0 HZ3 LYS A 29 18.597 -4.999 6.424 1.00 30.12 H new ATOM 434 N SER A 30 12.429 -8.513 10.092 1.00 44.03 N ATOM 435 CA SER A 30 12.554 -9.278 11.327 1.00 63.25 C ATOM 436 C SER A 30 11.719 -10.553 11.263 1.00 20.34 C ATOM 437 O SER A 30 12.155 -11.619 11.702 1.00 44.53 O ATOM 438 CB SER A 30 12.121 -8.429 12.523 1.00 20.15 C ATOM 439 OG SER A 30 13.003 -7.339 12.722 1.00 42.35 O ATOM 0 H SER A 30 11.732 -7.769 10.126 1.00 44.03 H new ATOM 0 HA SER A 30 13.601 -9.557 11.449 1.00 63.25 H new ATOM 0 HB2 SER A 30 11.109 -8.057 12.361 1.00 20.15 H new ATOM 0 HB3 SER A 30 12.094 -9.047 13.420 1.00 20.15 H new ATOM 0 HG SER A 30 12.797 -6.630 12.077 1.00 42.35 H new ATOM 445 N LYS A 31 10.514 -10.437 10.715 1.00 25.51 N ATOM 446 CA LYS A 31 9.616 -11.579 10.592 1.00 22.42 C ATOM 447 C LYS A 31 10.099 -12.537 9.507 1.00 31.32 C ATOM 448 O LYS A 31 9.666 -13.686 9.444 1.00 21.35 O ATOM 449 CB LYS A 31 8.196 -11.105 10.274 1.00 63.10 C ATOM 450 CG LYS A 31 7.290 -11.039 11.490 1.00 35.43 C ATOM 451 CD LYS A 31 6.899 -12.428 11.971 1.00 44.12 C ATOM 452 CE LYS A 31 5.396 -12.644 11.889 1.00 44.40 C ATOM 453 NZ LYS A 31 4.698 -12.146 13.107 1.00 22.51 N ATOM 0 H LYS A 31 10.137 -9.563 10.349 1.00 25.51 H new ATOM 0 HA LYS A 31 9.611 -12.110 11.544 1.00 22.42 H new ATOM 0 HB2 LYS A 31 8.246 -10.118 9.815 1.00 63.10 H new ATOM 0 HB3 LYS A 31 7.754 -11.777 9.538 1.00 63.10 H new ATOM 0 HG2 LYS A 31 7.796 -10.504 12.293 1.00 35.43 H new ATOM 0 HG3 LYS A 31 6.392 -10.472 11.245 1.00 35.43 H new ATOM 0 HD2 LYS A 31 7.409 -13.180 11.369 1.00 44.12 H new ATOM 0 HD3 LYS A 31 7.232 -12.565 13.000 1.00 44.12 H new ATOM 0 HE2 LYS A 31 5.003 -12.133 11.010 1.00 44.40 H new ATOM 0 HE3 LYS A 31 5.188 -13.706 11.760 1.00 44.40 H new ATOM 0 HZ1 LYS A 31 3.922 -12.793 13.351 1.00 22.51 H new ATOM 0 HZ2 LYS A 31 5.371 -12.099 13.898 1.00 22.51 H new ATOM 0 HZ3 LYS A 31 4.313 -11.198 12.923 1.00 22.51 H new ATOM 467 N ASN A 32 10.999 -12.055 8.657 1.00 3.12 N ATOM 468 CA ASN A 32 11.542 -12.869 7.575 1.00 74.01 C ATOM 469 C ASN A 32 10.447 -13.258 6.585 1.00 1.24 C ATOM 470 O ASN A 32 10.191 -14.441 6.360 1.00 41.31 O ATOM 471 CB ASN A 32 12.204 -14.128 8.139 1.00 13.21 C ATOM 472 CG ASN A 32 12.931 -13.863 9.444 1.00 64.25 C ATOM 473 OD1 ASN A 32 12.784 -14.610 10.411 1.00 22.15 O ATOM 474 ND2 ASN A 32 13.720 -12.795 9.475 1.00 72.40 N ATOM 0 H ASN A 32 11.368 -11.105 8.696 1.00 3.12 H new ATOM 0 HA ASN A 32 12.291 -12.277 7.049 1.00 74.01 H new ATOM 0 HB2 ASN A 32 11.445 -14.894 8.298 1.00 13.21 H new ATOM 0 HB3 ASN A 32 12.908 -14.524 7.407 1.00 13.21 H new ATOM 0 HD21 ASN A 32 14.235 -12.566 10.325 1.00 72.40 H new ATOM 0 HD22 ASN A 32 13.811 -12.204 8.649 1.00 72.40 H new ATOM 481 N ILE A 33 9.805 -12.253 5.997 1.00 20.24 N ATOM 482 CA ILE A 33 8.740 -12.490 5.031 1.00 63.31 C ATOM 483 C ILE A 33 9.158 -12.046 3.634 1.00 71.23 C ATOM 484 O ILE A 33 9.781 -10.999 3.465 1.00 44.23 O ATOM 485 CB ILE A 33 7.447 -11.754 5.426 1.00 11.24 C ATOM 486 CG1 ILE A 33 6.979 -12.208 6.810 1.00 11.35 C ATOM 487 CG2 ILE A 33 6.362 -11.994 4.389 1.00 74.24 C ATOM 488 CD1 ILE A 33 6.024 -11.239 7.473 1.00 21.34 C ATOM 0 H ILE A 33 10.004 -11.268 6.173 1.00 20.24 H new ATOM 0 HA ILE A 33 8.550 -13.563 5.028 1.00 63.31 H new ATOM 0 HB ILE A 33 7.653 -10.684 5.465 1.00 11.24 H new ATOM 0 HG12 ILE A 33 6.493 -13.180 6.720 1.00 11.35 H new ATOM 0 HG13 ILE A 33 7.849 -12.345 7.452 1.00 11.35 H new ATOM 0 HG21 ILE A 33 5.454 -11.467 4.683 1.00 74.24 H new ATOM 0 HG22 ILE A 33 6.697 -11.626 3.419 1.00 74.24 H new ATOM 0 HG23 ILE A 33 6.155 -13.062 4.320 1.00 74.24 H new ATOM 0 HD11 ILE A 33 5.734 -11.625 8.450 1.00 21.34 H new ATOM 0 HD12 ILE A 33 6.513 -10.273 7.595 1.00 21.34 H new ATOM 0 HD13 ILE A 33 5.136 -11.120 6.852 1.00 21.34 H new ATOM 500 N ASN A 34 8.807 -12.849 2.634 1.00 61.05 N ATOM 501 CA ASN A 34 9.145 -12.538 1.249 1.00 10.51 C ATOM 502 C ASN A 34 8.200 -11.482 0.683 1.00 34.24 C ATOM 503 O ASN A 34 7.233 -11.805 -0.005 1.00 51.00 O ATOM 504 CB ASN A 34 9.086 -13.803 0.392 1.00 23.21 C ATOM 505 CG ASN A 34 10.020 -14.887 0.895 1.00 51.32 C ATOM 506 OD1 ASN A 34 9.592 -15.832 1.558 1.00 14.14 O ATOM 507 ND2 ASN A 34 11.303 -14.754 0.582 1.00 65.05 N ATOM 0 H ASN A 34 8.289 -13.719 2.757 1.00 61.05 H new ATOM 0 HA ASN A 34 10.160 -12.141 1.229 1.00 10.51 H new ATOM 0 HB2 ASN A 34 8.065 -14.184 0.381 1.00 23.21 H new ATOM 0 HB3 ASN A 34 9.344 -13.554 -0.637 1.00 23.21 H new ATOM 0 HD21 ASN A 34 11.979 -15.452 0.893 1.00 65.05 H new ATOM 0 HD22 ASN A 34 11.613 -13.954 0.030 1.00 65.05 H new ATOM 514 N ALA A 35 8.488 -10.219 0.978 1.00 3.13 N ATOM 515 CA ALA A 35 7.667 -9.115 0.497 1.00 32.14 C ATOM 516 C ALA A 35 8.492 -7.842 0.344 1.00 15.13 C ATOM 517 O ALA A 35 9.611 -7.750 0.850 1.00 63.24 O ATOM 518 CB ALA A 35 6.496 -8.878 1.440 1.00 50.13 C ATOM 0 H ALA A 35 9.284 -9.935 1.548 1.00 3.13 H new ATOM 0 HA ALA A 35 7.279 -9.385 -0.485 1.00 32.14 H new ATOM 0 HB1 ALA A 35 5.891 -8.051 1.068 1.00 50.13 H new ATOM 0 HB2 ALA A 35 5.884 -9.779 1.494 1.00 50.13 H new ATOM 0 HB3 ALA A 35 6.872 -8.635 2.434 1.00 50.13 H new ATOM 524 N THR A 36 7.933 -6.860 -0.356 1.00 31.11 N ATOM 525 CA THR A 36 8.617 -5.593 -0.577 1.00 3.43 C ATOM 526 C THR A 36 7.627 -4.435 -0.633 1.00 4.21 C ATOM 527 O THR A 36 6.476 -4.611 -1.032 1.00 1.41 O ATOM 528 CB THR A 36 9.438 -5.616 -1.880 1.00 31.12 C ATOM 529 OG1 THR A 36 10.085 -4.354 -2.076 1.00 12.35 O ATOM 530 CG2 THR A 36 8.547 -5.925 -3.074 1.00 74.23 C ATOM 0 H THR A 36 7.007 -6.919 -0.780 1.00 31.11 H new ATOM 0 HA THR A 36 9.293 -5.449 0.266 1.00 3.43 H new ATOM 0 HB THR A 36 10.191 -6.399 -1.794 1.00 31.12 H new ATOM 0 HG1 THR A 36 10.606 -4.379 -2.906 1.00 12.35 H new ATOM 0 HG21 THR A 36 9.148 -5.936 -3.983 1.00 74.23 H new ATOM 0 HG22 THR A 36 8.079 -6.900 -2.936 1.00 74.23 H new ATOM 0 HG23 THR A 36 7.775 -5.161 -3.159 1.00 74.23 H new ATOM 538 N ILE A 37 8.083 -3.252 -0.232 1.00 33.51 N ATOM 539 CA ILE A 37 7.236 -2.066 -0.240 1.00 21.23 C ATOM 540 C ILE A 37 7.970 -0.872 -0.839 1.00 50.51 C ATOM 541 O ILE A 37 9.191 -0.765 -0.734 1.00 52.45 O ATOM 542 CB ILE A 37 6.763 -1.704 1.181 1.00 52.43 C ATOM 543 CG1 ILE A 37 5.710 -0.594 1.123 1.00 61.11 C ATOM 544 CG2 ILE A 37 7.943 -1.277 2.040 1.00 72.23 C ATOM 545 CD1 ILE A 37 4.905 -0.459 2.396 1.00 42.22 C ATOM 0 H ILE A 37 9.033 -3.090 0.102 1.00 33.51 H new ATOM 0 HA ILE A 37 6.367 -2.301 -0.855 1.00 21.23 H new ATOM 0 HB ILE A 37 6.311 -2.586 1.634 1.00 52.43 H new ATOM 0 HG12 ILE A 37 6.205 0.354 0.913 1.00 61.11 H new ATOM 0 HG13 ILE A 37 5.032 -0.791 0.293 1.00 61.11 H new ATOM 0 HG21 ILE A 37 7.592 -1.025 3.041 1.00 72.23 H new ATOM 0 HG22 ILE A 37 8.662 -2.094 2.103 1.00 72.23 H new ATOM 0 HG23 ILE A 37 8.422 -0.406 1.593 1.00 72.23 H new ATOM 0 HD11 ILE A 37 4.179 0.346 2.284 1.00 42.22 H new ATOM 0 HD12 ILE A 37 4.382 -1.394 2.597 1.00 42.22 H new ATOM 0 HD13 ILE A 37 5.573 -0.231 3.227 1.00 42.22 H new ATOM 557 N GLU A 38 7.215 0.026 -1.466 1.00 22.43 N ATOM 558 CA GLU A 38 7.795 1.214 -2.081 1.00 55.03 C ATOM 559 C GLU A 38 6.787 2.360 -2.107 1.00 50.02 C ATOM 560 O GLU A 38 5.591 2.144 -2.299 1.00 53.13 O ATOM 561 CB GLU A 38 8.264 0.901 -3.504 1.00 0.44 C ATOM 562 CG GLU A 38 9.266 1.906 -4.049 1.00 1.12 C ATOM 563 CD GLU A 38 10.674 1.348 -4.117 1.00 34.25 C ATOM 564 OE1 GLU A 38 10.850 0.252 -4.689 1.00 51.12 O ATOM 565 OE2 GLU A 38 11.600 2.006 -3.596 1.00 74.34 O ATOM 0 H GLU A 38 6.202 -0.047 -1.561 1.00 22.43 H new ATOM 0 HA GLU A 38 8.653 1.520 -1.482 1.00 55.03 H new ATOM 0 HB2 GLU A 38 8.713 -0.092 -3.520 1.00 0.44 H new ATOM 0 HB3 GLU A 38 7.398 0.869 -4.165 1.00 0.44 H new ATOM 0 HG2 GLU A 38 8.955 2.220 -5.046 1.00 1.12 H new ATOM 0 HG3 GLU A 38 9.262 2.796 -3.419 1.00 1.12 H new ATOM 572 N ALA A 39 7.280 3.578 -1.911 1.00 64.31 N ATOM 573 CA ALA A 39 6.424 4.758 -1.913 1.00 63.33 C ATOM 574 C ALA A 39 6.794 5.702 -3.052 1.00 41.41 C ATOM 575 O ALA A 39 7.972 5.973 -3.289 1.00 55.13 O ATOM 576 CB ALA A 39 6.516 5.478 -0.576 1.00 50.33 C ATOM 0 H ALA A 39 8.268 3.774 -1.749 1.00 64.31 H new ATOM 0 HA ALA A 39 5.396 4.431 -2.067 1.00 63.33 H new ATOM 0 HB1 ALA A 39 5.872 6.357 -0.591 1.00 50.33 H new ATOM 0 HB2 ALA A 39 6.196 4.807 0.221 1.00 50.33 H new ATOM 0 HB3 ALA A 39 7.546 5.786 -0.399 1.00 50.33 H new ATOM 582 N ILE A 40 5.781 6.199 -3.755 1.00 10.35 N ATOM 583 CA ILE A 40 6.001 7.114 -4.868 1.00 60.43 C ATOM 584 C ILE A 40 4.815 8.056 -5.048 1.00 64.22 C ATOM 585 O ILE A 40 3.853 8.011 -4.283 1.00 41.35 O ATOM 586 CB ILE A 40 6.241 6.351 -6.185 1.00 34.14 C ATOM 587 CG1 ILE A 40 5.111 5.348 -6.430 1.00 44.21 C ATOM 588 CG2 ILE A 40 7.587 5.643 -6.149 1.00 31.15 C ATOM 589 CD1 ILE A 40 4.350 5.599 -7.713 1.00 53.53 C ATOM 0 H ILE A 40 4.801 5.983 -3.573 1.00 10.35 H new ATOM 0 HA ILE A 40 6.891 7.696 -4.627 1.00 60.43 H new ATOM 0 HB ILE A 40 6.252 7.067 -7.007 1.00 34.14 H new ATOM 0 HG12 ILE A 40 5.528 4.341 -6.455 1.00 44.21 H new ATOM 0 HG13 ILE A 40 4.416 5.384 -5.591 1.00 44.21 H new ATOM 0 HG21 ILE A 40 7.742 5.108 -7.086 1.00 31.15 H new ATOM 0 HG22 ILE A 40 8.381 6.378 -6.014 1.00 31.15 H new ATOM 0 HG23 ILE A 40 7.604 4.935 -5.320 1.00 31.15 H new ATOM 0 HD11 ILE A 40 3.565 4.851 -7.822 1.00 53.53 H new ATOM 0 HD12 ILE A 40 3.903 6.593 -7.683 1.00 53.53 H new ATOM 0 HD13 ILE A 40 5.033 5.534 -8.560 1.00 53.53 H new ATOM 601 N ALA A 41 4.892 8.907 -6.066 1.00 74.33 N ATOM 602 CA ALA A 41 3.823 9.857 -6.350 1.00 63.00 C ATOM 603 C ALA A 41 2.750 9.228 -7.231 1.00 51.42 C ATOM 604 O ALA A 41 2.791 8.032 -7.518 1.00 60.42 O ATOM 605 CB ALA A 41 4.389 11.104 -7.012 1.00 75.33 C ATOM 0 H ALA A 41 5.683 8.958 -6.708 1.00 74.33 H new ATOM 0 HA ALA A 41 3.360 10.139 -5.405 1.00 63.00 H new ATOM 0 HB1 ALA A 41 3.580 11.805 -7.219 1.00 75.33 H new ATOM 0 HB2 ALA A 41 5.114 11.572 -6.346 1.00 75.33 H new ATOM 0 HB3 ALA A 41 4.879 10.830 -7.946 1.00 75.33 H new ATOM 611 N GLU A 42 1.788 10.041 -7.656 1.00 43.41 N ATOM 612 CA GLU A 42 0.702 9.564 -8.504 1.00 71.42 C ATOM 613 C GLU A 42 1.118 9.561 -9.972 1.00 63.45 C ATOM 614 O GLU A 42 0.551 8.835 -10.789 1.00 41.01 O ATOM 615 CB GLU A 42 -0.542 10.433 -8.316 1.00 55.12 C ATOM 616 CG GLU A 42 -0.289 11.914 -8.542 1.00 2.42 C ATOM 617 CD GLU A 42 -1.502 12.637 -9.094 1.00 3.21 C ATOM 618 OE1 GLU A 42 -1.654 12.679 -10.333 1.00 32.04 O ATOM 619 OE2 GLU A 42 -2.299 13.160 -8.288 1.00 51.30 O ATOM 0 H GLU A 42 1.739 11.034 -7.427 1.00 43.41 H new ATOM 0 HA GLU A 42 0.469 8.541 -8.209 1.00 71.42 H new ATOM 0 HB2 GLU A 42 -1.318 10.096 -9.004 1.00 55.12 H new ATOM 0 HB3 GLU A 42 -0.927 10.289 -7.306 1.00 55.12 H new ATOM 0 HG2 GLU A 42 0.007 12.376 -7.600 1.00 2.42 H new ATOM 0 HG3 GLU A 42 0.546 12.035 -9.232 1.00 2.42 H new ATOM 626 N THR A 43 2.113 10.379 -10.300 1.00 43.32 N ATOM 627 CA THR A 43 2.604 10.474 -11.669 1.00 4.20 C ATOM 628 C THR A 43 3.210 9.152 -12.129 1.00 31.11 C ATOM 629 O THR A 43 3.130 8.798 -13.305 1.00 31.52 O ATOM 630 CB THR A 43 3.661 11.586 -11.811 1.00 63.32 C ATOM 631 OG1 THR A 43 4.173 11.607 -13.148 1.00 24.24 O ATOM 632 CG2 THR A 43 4.803 11.376 -10.828 1.00 21.20 C ATOM 0 H THR A 43 2.595 10.985 -9.636 1.00 43.32 H new ATOM 0 HA THR A 43 1.746 10.716 -12.296 1.00 4.20 H new ATOM 0 HB THR A 43 3.184 12.541 -11.590 1.00 63.32 H new ATOM 0 HG1 THR A 43 4.843 12.317 -13.231 1.00 24.24 H new ATOM 0 HG21 THR A 43 5.537 12.173 -10.947 1.00 21.20 H new ATOM 0 HG22 THR A 43 4.414 11.390 -9.810 1.00 21.20 H new ATOM 0 HG23 THR A 43 5.278 10.414 -11.022 1.00 21.20 H new ATOM 640 N ARG A 44 3.815 8.427 -11.194 1.00 13.44 N ATOM 641 CA ARG A 44 4.434 7.144 -11.504 1.00 34.24 C ATOM 642 C ARG A 44 3.669 5.998 -10.846 1.00 43.42 C ATOM 643 O ARG A 44 4.186 4.888 -10.713 1.00 5.13 O ATOM 644 CB ARG A 44 5.891 7.132 -11.039 1.00 21.45 C ATOM 645 CG ARG A 44 6.732 8.246 -11.639 1.00 73.43 C ATOM 646 CD ARG A 44 8.079 8.365 -10.943 1.00 61.43 C ATOM 647 NE ARG A 44 8.736 9.635 -11.236 1.00 65.12 N ATOM 648 CZ ARG A 44 9.786 10.092 -10.562 1.00 32.52 C ATOM 649 NH1 ARG A 44 10.295 9.386 -9.562 1.00 21.51 N ATOM 650 NH2 ARG A 44 10.329 11.257 -10.889 1.00 2.54 N ATOM 0 H ARG A 44 3.890 8.706 -10.216 1.00 13.44 H new ATOM 0 HA ARG A 44 4.403 7.005 -12.585 1.00 34.24 H new ATOM 0 HB2 ARG A 44 5.917 7.214 -9.952 1.00 21.45 H new ATOM 0 HB3 ARG A 44 6.338 6.172 -11.297 1.00 21.45 H new ATOM 0 HG2 ARG A 44 6.886 8.055 -12.701 1.00 73.43 H new ATOM 0 HG3 ARG A 44 6.195 9.191 -11.559 1.00 73.43 H new ATOM 0 HD2 ARG A 44 7.940 8.269 -9.866 1.00 61.43 H new ATOM 0 HD3 ARG A 44 8.723 7.543 -11.256 1.00 61.43 H new ATOM 0 HE ARG A 44 8.369 10.203 -12.000 1.00 65.12 H new ATOM 0 HH11 ARG A 44 9.881 8.489 -9.308 1.00 21.51 H new ATOM 0 HH12 ARG A 44 11.101 9.740 -9.047 1.00 21.51 H new ATOM 0 HH21 ARG A 44 9.941 11.803 -11.658 1.00 2.54 H new ATOM 0 HH22 ARG A 44 11.135 11.607 -10.371 1.00 2.54 H new ATOM 664 N LEU A 45 2.435 6.275 -10.438 1.00 63.21 N ATOM 665 CA LEU A 45 1.599 5.268 -9.795 1.00 31.22 C ATOM 666 C LEU A 45 1.131 4.224 -10.803 1.00 21.55 C ATOM 667 O LEU A 45 1.376 3.029 -10.633 1.00 61.13 O ATOM 668 CB LEU A 45 0.391 5.930 -9.130 1.00 34.31 C ATOM 669 CG LEU A 45 -0.762 4.998 -8.754 1.00 52.34 C ATOM 670 CD1 LEU A 45 -1.367 5.408 -7.420 1.00 25.31 C ATOM 671 CD2 LEU A 45 -1.824 4.996 -9.844 1.00 71.01 C ATOM 0 H LEU A 45 1.992 7.188 -10.541 1.00 63.21 H new ATOM 0 HA LEU A 45 2.196 4.767 -9.033 1.00 31.22 H new ATOM 0 HB2 LEU A 45 0.731 6.437 -8.227 1.00 34.31 H new ATOM 0 HB3 LEU A 45 0.007 6.698 -9.802 1.00 34.31 H new ATOM 0 HG LEU A 45 -0.368 3.986 -8.656 1.00 52.34 H new ATOM 0 HD11 LEU A 45 -2.186 4.734 -7.169 1.00 25.31 H new ATOM 0 HD12 LEU A 45 -0.604 5.357 -6.643 1.00 25.31 H new ATOM 0 HD13 LEU A 45 -1.746 6.428 -7.490 1.00 25.31 H new ATOM 0 HD21 LEU A 45 -2.636 4.327 -9.559 1.00 71.01 H new ATOM 0 HD22 LEU A 45 -2.214 6.006 -9.974 1.00 71.01 H new ATOM 0 HD23 LEU A 45 -1.384 4.653 -10.780 1.00 71.01 H new ATOM 683 N SER A 46 0.459 4.682 -11.853 1.00 52.34 N ATOM 684 CA SER A 46 -0.046 3.788 -12.889 1.00 25.24 C ATOM 685 C SER A 46 1.097 3.252 -13.746 1.00 74.50 C ATOM 686 O SER A 46 0.912 2.327 -14.536 1.00 64.44 O ATOM 687 CB SER A 46 -1.063 4.514 -13.770 1.00 1.20 C ATOM 688 OG SER A 46 -1.106 3.952 -15.070 1.00 3.05 O ATOM 0 H SER A 46 0.251 5.668 -12.010 1.00 52.34 H new ATOM 0 HA SER A 46 -0.537 2.947 -12.400 1.00 25.24 H new ATOM 0 HB2 SER A 46 -2.051 4.457 -13.313 1.00 1.20 H new ATOM 0 HB3 SER A 46 -0.803 5.570 -13.836 1.00 1.20 H new ATOM 0 HG SER A 46 -0.641 3.089 -15.069 1.00 3.05 H new ATOM 694 N GLU A 47 2.277 3.842 -13.585 1.00 24.34 N ATOM 695 CA GLU A 47 3.450 3.425 -14.345 1.00 73.40 C ATOM 696 C GLU A 47 4.177 2.284 -13.640 1.00 64.12 C ATOM 697 O GLU A 47 4.923 1.529 -14.264 1.00 63.51 O ATOM 698 CB GLU A 47 4.402 4.606 -14.545 1.00 31.41 C ATOM 699 CG GLU A 47 4.326 5.221 -15.931 1.00 74.34 C ATOM 700 CD GLU A 47 3.285 6.319 -16.026 1.00 40.31 C ATOM 701 OE1 GLU A 47 2.190 6.152 -15.449 1.00 71.25 O ATOM 702 OE2 GLU A 47 3.566 7.348 -16.678 1.00 33.31 O ATOM 0 H GLU A 47 2.446 4.610 -12.935 1.00 24.34 H new ATOM 0 HA GLU A 47 3.113 3.071 -15.319 1.00 73.40 H new ATOM 0 HB2 GLU A 47 4.177 5.373 -13.804 1.00 31.41 H new ATOM 0 HB3 GLU A 47 5.423 4.274 -14.360 1.00 31.41 H new ATOM 0 HG2 GLU A 47 5.302 5.627 -16.198 1.00 74.34 H new ATOM 0 HG3 GLU A 47 4.095 4.442 -16.658 1.00 74.34 H new ATOM 709 N VAL A 48 3.957 2.166 -12.334 1.00 54.03 N ATOM 710 CA VAL A 48 4.590 1.117 -11.544 1.00 31.13 C ATOM 711 C VAL A 48 3.567 0.088 -11.076 1.00 50.20 C ATOM 712 O VAL A 48 3.921 -1.038 -10.724 1.00 75.31 O ATOM 713 CB VAL A 48 5.314 1.701 -10.315 1.00 50.12 C ATOM 714 CG1 VAL A 48 6.315 2.764 -10.740 1.00 73.23 C ATOM 715 CG2 VAL A 48 4.308 2.269 -9.325 1.00 64.15 C ATOM 0 H VAL A 48 3.345 2.784 -11.801 1.00 54.03 H new ATOM 0 HA VAL A 48 5.320 0.630 -12.190 1.00 31.13 H new ATOM 0 HB VAL A 48 5.861 0.898 -9.822 1.00 50.12 H new ATOM 0 HG11 VAL A 48 6.816 3.165 -9.859 1.00 73.23 H new ATOM 0 HG12 VAL A 48 7.054 2.322 -11.408 1.00 73.23 H new ATOM 0 HG13 VAL A 48 5.793 3.569 -11.258 1.00 73.23 H new ATOM 0 HG21 VAL A 48 4.836 2.677 -8.463 1.00 64.15 H new ATOM 0 HG22 VAL A 48 3.732 3.060 -9.805 1.00 64.15 H new ATOM 0 HG23 VAL A 48 3.634 1.478 -8.996 1.00 64.15 H new ATOM 725 N VAL A 49 2.298 0.481 -11.076 1.00 30.12 N ATOM 726 CA VAL A 49 1.223 -0.408 -10.652 1.00 54.11 C ATOM 727 C VAL A 49 1.286 -1.739 -11.393 1.00 43.24 C ATOM 728 O VAL A 49 0.895 -2.777 -10.860 1.00 30.43 O ATOM 729 CB VAL A 49 -0.159 0.231 -10.886 1.00 72.35 C ATOM 730 CG1 VAL A 49 -0.442 0.362 -12.376 1.00 13.22 C ATOM 731 CG2 VAL A 49 -1.245 -0.581 -10.199 1.00 33.54 C ATOM 0 H VAL A 49 1.989 1.409 -11.365 1.00 30.12 H new ATOM 0 HA VAL A 49 1.359 -0.582 -9.585 1.00 54.11 H new ATOM 0 HB VAL A 49 -0.155 1.231 -10.452 1.00 72.35 H new ATOM 0 HG11 VAL A 49 -1.423 0.815 -12.522 1.00 13.22 H new ATOM 0 HG12 VAL A 49 0.320 0.990 -12.837 1.00 13.22 H new ATOM 0 HG13 VAL A 49 -0.427 -0.625 -12.837 1.00 13.22 H new ATOM 0 HG21 VAL A 49 -2.214 -0.115 -10.375 1.00 33.54 H new ATOM 0 HG22 VAL A 49 -1.251 -1.594 -10.601 1.00 33.54 H new ATOM 0 HG23 VAL A 49 -1.049 -0.617 -9.127 1.00 33.54 H new ATOM 741 N ASP A 50 1.782 -1.701 -12.624 1.00 65.14 N ATOM 742 CA ASP A 50 1.901 -2.905 -13.439 1.00 31.13 C ATOM 743 C ASP A 50 2.868 -3.898 -12.804 1.00 62.33 C ATOM 744 O ASP A 50 2.676 -5.111 -12.892 1.00 51.45 O ATOM 745 CB ASP A 50 2.369 -2.548 -14.850 1.00 73.41 C ATOM 746 CG ASP A 50 3.474 -1.510 -14.849 1.00 34.41 C ATOM 747 OD1 ASP A 50 3.155 -0.305 -14.775 1.00 21.23 O ATOM 748 OD2 ASP A 50 4.658 -1.903 -14.921 1.00 54.21 O ATOM 0 H ASP A 50 2.109 -0.849 -13.080 1.00 65.14 H new ATOM 0 HA ASP A 50 0.918 -3.372 -13.499 1.00 31.13 H new ATOM 0 HB2 ASP A 50 2.722 -3.449 -15.351 1.00 73.41 H new ATOM 0 HB3 ASP A 50 1.523 -2.173 -15.426 1.00 73.41 H new ATOM 753 N ARG A 51 3.911 -3.376 -12.167 1.00 34.13 N ATOM 754 CA ARG A 51 4.911 -4.216 -11.519 1.00 31.10 C ATOM 755 C ARG A 51 4.427 -4.678 -10.148 1.00 23.01 C ATOM 756 O ARG A 51 4.559 -5.850 -9.793 1.00 74.33 O ATOM 757 CB ARG A 51 6.231 -3.458 -11.377 1.00 41.31 C ATOM 758 CG ARG A 51 6.778 -2.936 -12.696 1.00 44.34 C ATOM 759 CD ARG A 51 8.056 -3.657 -13.094 1.00 25.44 C ATOM 760 NE ARG A 51 8.805 -2.925 -14.111 1.00 72.00 N ATOM 761 CZ ARG A 51 8.482 -2.920 -15.400 1.00 20.40 C ATOM 762 NH1 ARG A 51 7.430 -3.606 -15.825 1.00 52.21 N ATOM 763 NH2 ARG A 51 9.212 -2.229 -16.266 1.00 2.23 N ATOM 0 H ARG A 51 4.086 -2.374 -12.086 1.00 34.13 H new ATOM 0 HA ARG A 51 5.071 -5.095 -12.144 1.00 31.10 H new ATOM 0 HB2 ARG A 51 6.087 -2.619 -10.696 1.00 41.31 H new ATOM 0 HB3 ARG A 51 6.971 -4.116 -10.921 1.00 41.31 H new ATOM 0 HG2 ARG A 51 6.029 -3.063 -13.477 1.00 44.34 H new ATOM 0 HG3 ARG A 51 6.973 -1.867 -12.612 1.00 44.34 H new ATOM 0 HD2 ARG A 51 8.683 -3.796 -12.213 1.00 25.44 H new ATOM 0 HD3 ARG A 51 7.810 -4.650 -13.470 1.00 25.44 H new ATOM 0 HE ARG A 51 9.621 -2.388 -13.816 1.00 72.00 H new ATOM 0 HH11 ARG A 51 6.867 -4.139 -15.162 1.00 52.21 H new ATOM 0 HH12 ARG A 51 7.184 -3.601 -16.815 1.00 52.21 H new ATOM 0 HH21 ARG A 51 10.022 -1.701 -15.943 1.00 2.23 H new ATOM 0 HH22 ARG A 51 8.963 -2.226 -17.255 1.00 2.23 H new ATOM 777 N PHE A 52 3.869 -3.749 -9.379 1.00 73.20 N ATOM 778 CA PHE A 52 3.367 -4.060 -8.046 1.00 31.12 C ATOM 779 C PHE A 52 2.079 -4.875 -8.125 1.00 43.33 C ATOM 780 O PHE A 52 1.534 -5.091 -9.209 1.00 1.44 O ATOM 781 CB PHE A 52 3.120 -2.772 -7.257 1.00 52.13 C ATOM 782 CG PHE A 52 4.382 -2.048 -6.882 1.00 32.12 C ATOM 783 CD1 PHE A 52 5.128 -2.453 -5.787 1.00 41.25 C ATOM 784 CD2 PHE A 52 4.820 -0.963 -7.624 1.00 22.50 C ATOM 785 CE1 PHE A 52 6.290 -1.788 -5.440 1.00 14.14 C ATOM 786 CE2 PHE A 52 5.980 -0.295 -7.281 1.00 43.02 C ATOM 787 CZ PHE A 52 6.716 -0.709 -6.188 1.00 71.11 C ATOM 0 H PHE A 52 3.753 -2.774 -9.656 1.00 73.20 H new ATOM 0 HA PHE A 52 4.122 -4.655 -7.532 1.00 31.12 H new ATOM 0 HB2 PHE A 52 2.491 -2.107 -7.849 1.00 52.13 H new ATOM 0 HB3 PHE A 52 2.565 -3.012 -6.350 1.00 52.13 H new ATOM 0 HD1 PHE A 52 4.799 -3.297 -5.198 1.00 41.25 H new ATOM 0 HD2 PHE A 52 4.248 -0.636 -8.480 1.00 22.50 H new ATOM 0 HE1 PHE A 52 6.864 -2.113 -4.584 1.00 14.14 H new ATOM 0 HE2 PHE A 52 6.311 0.550 -7.867 1.00 43.02 H new ATOM 0 HZ PHE A 52 7.624 -0.189 -5.919 1.00 71.11 H new ATOM 797 N ASP A 53 1.599 -5.325 -6.972 1.00 41.02 N ATOM 798 CA ASP A 53 0.375 -6.117 -6.910 1.00 0.44 C ATOM 799 C ASP A 53 -0.666 -5.437 -6.026 1.00 54.35 C ATOM 800 O ASP A 53 -1.850 -5.397 -6.363 1.00 43.23 O ATOM 801 CB ASP A 53 0.676 -7.518 -6.378 1.00 71.53 C ATOM 802 CG ASP A 53 1.428 -8.370 -7.384 1.00 15.21 C ATOM 803 OD1 ASP A 53 1.051 -8.352 -8.574 1.00 43.15 O ATOM 804 OD2 ASP A 53 2.391 -9.053 -6.980 1.00 31.41 O ATOM 0 H ASP A 53 2.038 -5.155 -6.067 1.00 41.02 H new ATOM 0 HA ASP A 53 -0.028 -6.199 -7.919 1.00 0.44 H new ATOM 0 HB2 ASP A 53 1.263 -7.438 -5.463 1.00 71.53 H new ATOM 0 HB3 ASP A 53 -0.259 -8.012 -6.114 1.00 71.53 H new ATOM 809 N VAL A 54 -0.219 -4.906 -4.894 1.00 2.43 N ATOM 810 CA VAL A 54 -1.111 -4.228 -3.961 1.00 71.13 C ATOM 811 C VAL A 54 -0.872 -2.722 -3.966 1.00 23.35 C ATOM 812 O VAL A 54 0.261 -2.264 -4.116 1.00 55.11 O ATOM 813 CB VAL A 54 -0.935 -4.760 -2.527 1.00 21.14 C ATOM 814 CG1 VAL A 54 -2.003 -4.187 -1.608 1.00 23.11 C ATOM 815 CG2 VAL A 54 -0.970 -6.281 -2.515 1.00 51.35 C ATOM 0 H VAL A 54 0.757 -4.932 -4.600 1.00 2.43 H new ATOM 0 HA VAL A 54 -2.129 -4.432 -4.293 1.00 71.13 H new ATOM 0 HB VAL A 54 0.038 -4.438 -2.157 1.00 21.14 H new ATOM 0 HG11 VAL A 54 -1.861 -4.575 -0.599 1.00 23.11 H new ATOM 0 HG12 VAL A 54 -1.925 -3.100 -1.593 1.00 23.11 H new ATOM 0 HG13 VAL A 54 -2.989 -4.475 -1.972 1.00 23.11 H new ATOM 0 HG21 VAL A 54 -0.844 -6.640 -1.493 1.00 51.35 H new ATOM 0 HG22 VAL A 54 -1.927 -6.626 -2.905 1.00 51.35 H new ATOM 0 HG23 VAL A 54 -0.164 -6.668 -3.138 1.00 51.35 H new ATOM 825 N VAL A 55 -1.945 -1.957 -3.799 1.00 74.13 N ATOM 826 CA VAL A 55 -1.852 -0.502 -3.783 1.00 75.31 C ATOM 827 C VAL A 55 -2.460 0.073 -2.508 1.00 61.41 C ATOM 828 O VAL A 55 -3.443 -0.452 -1.985 1.00 0.13 O ATOM 829 CB VAL A 55 -2.559 0.120 -5.002 1.00 34.14 C ATOM 830 CG1 VAL A 55 -2.468 1.638 -4.956 1.00 64.40 C ATOM 831 CG2 VAL A 55 -1.967 -0.420 -6.294 1.00 22.42 C ATOM 0 H VAL A 55 -2.890 -2.320 -3.673 1.00 74.13 H new ATOM 0 HA VAL A 55 -0.792 -0.252 -3.822 1.00 75.31 H new ATOM 0 HB VAL A 55 -3.613 -0.157 -4.969 1.00 34.14 H new ATOM 0 HG11 VAL A 55 -2.973 2.059 -5.825 1.00 64.40 H new ATOM 0 HG12 VAL A 55 -2.945 2.004 -4.047 1.00 64.40 H new ATOM 0 HG13 VAL A 55 -1.421 1.940 -4.963 1.00 64.40 H new ATOM 0 HG21 VAL A 55 -2.479 0.030 -7.145 1.00 22.42 H new ATOM 0 HG22 VAL A 55 -0.906 -0.176 -6.338 1.00 22.42 H new ATOM 0 HG23 VAL A 55 -2.092 -1.502 -6.327 1.00 22.42 H new ATOM 841 N LEU A 56 -1.868 1.155 -2.014 1.00 21.02 N ATOM 842 CA LEU A 56 -2.352 1.803 -0.799 1.00 44.23 C ATOM 843 C LEU A 56 -2.260 3.321 -0.919 1.00 44.30 C ATOM 844 O LEU A 56 -1.260 3.857 -1.400 1.00 71.12 O ATOM 845 CB LEU A 56 -1.548 1.326 0.412 1.00 45.24 C ATOM 846 CG LEU A 56 -2.141 0.152 1.191 1.00 53.23 C ATOM 847 CD1 LEU A 56 -1.049 -0.818 1.610 1.00 63.21 C ATOM 848 CD2 LEU A 56 -2.908 0.653 2.407 1.00 1.24 C ATOM 0 H LEU A 56 -1.053 1.602 -2.435 1.00 21.02 H new ATOM 0 HA LEU A 56 -3.398 1.530 -0.663 1.00 44.23 H new ATOM 0 HB2 LEU A 56 -0.551 1.045 0.073 1.00 45.24 H new ATOM 0 HB3 LEU A 56 -1.427 2.166 1.096 1.00 45.24 H new ATOM 0 HG LEU A 56 -2.836 -0.377 0.539 1.00 53.23 H new ATOM 0 HD11 LEU A 56 -1.491 -1.647 2.163 1.00 63.21 H new ATOM 0 HD12 LEU A 56 -0.544 -1.202 0.724 1.00 63.21 H new ATOM 0 HD13 LEU A 56 -0.328 -0.302 2.244 1.00 63.21 H new ATOM 0 HD21 LEU A 56 -3.324 -0.196 2.950 1.00 1.24 H new ATOM 0 HD22 LEU A 56 -2.233 1.207 3.060 1.00 1.24 H new ATOM 0 HD23 LEU A 56 -3.717 1.307 2.083 1.00 1.24 H new ATOM 860 N LEU A 57 -3.307 4.009 -0.477 1.00 25.23 N ATOM 861 CA LEU A 57 -3.343 5.466 -0.532 1.00 33.43 C ATOM 862 C LEU A 57 -3.163 6.068 0.858 1.00 43.51 C ATOM 863 O LEU A 57 -3.494 5.441 1.864 1.00 41.41 O ATOM 864 CB LEU A 57 -4.665 5.940 -1.138 1.00 3.24 C ATOM 865 CG LEU A 57 -4.725 5.983 -2.666 1.00 14.44 C ATOM 866 CD1 LEU A 57 -3.733 6.998 -3.210 1.00 50.42 C ATOM 867 CD2 LEU A 57 -4.455 4.605 -3.249 1.00 32.53 C ATOM 0 H LEU A 57 -4.142 3.581 -0.077 1.00 25.23 H new ATOM 0 HA LEU A 57 -2.520 5.802 -1.163 1.00 33.43 H new ATOM 0 HB2 LEU A 57 -5.461 5.286 -0.781 1.00 3.24 H new ATOM 0 HB3 LEU A 57 -4.879 6.939 -0.758 1.00 3.24 H new ATOM 0 HG LEU A 57 -5.728 6.291 -2.963 1.00 14.44 H new ATOM 0 HD11 LEU A 57 -3.790 7.015 -4.298 1.00 50.42 H new ATOM 0 HD12 LEU A 57 -3.973 7.987 -2.819 1.00 50.42 H new ATOM 0 HD13 LEU A 57 -2.724 6.721 -2.903 1.00 50.42 H new ATOM 0 HD21 LEU A 57 -4.502 4.655 -4.337 1.00 32.53 H new ATOM 0 HD22 LEU A 57 -3.464 4.268 -2.943 1.00 32.53 H new ATOM 0 HD23 LEU A 57 -5.205 3.903 -2.885 1.00 32.53 H new ATOM 879 N ALA A 58 -2.638 7.289 0.905 1.00 71.40 N ATOM 880 CA ALA A 58 -2.418 7.977 2.171 1.00 35.31 C ATOM 881 C ALA A 58 -3.451 9.079 2.383 1.00 71.22 C ATOM 882 O ALA A 58 -4.094 9.549 1.445 1.00 73.05 O ATOM 883 CB ALA A 58 -1.011 8.553 2.221 1.00 5.13 C ATOM 0 H ALA A 58 -2.358 7.821 0.081 1.00 71.40 H new ATOM 0 HA ALA A 58 -2.530 7.250 2.976 1.00 35.31 H new ATOM 0 HB1 ALA A 58 -0.861 9.064 3.172 1.00 5.13 H new ATOM 0 HB2 ALA A 58 -0.284 7.747 2.123 1.00 5.13 H new ATOM 0 HB3 ALA A 58 -0.879 9.262 1.403 1.00 5.13 H new ATOM 889 N PRO A 59 -3.616 9.502 3.646 1.00 63.34 N ATOM 890 CA PRO A 59 -4.569 10.553 4.009 1.00 13.05 C ATOM 891 C PRO A 59 -4.141 11.925 3.502 1.00 42.30 C ATOM 892 O PRO A 59 -3.459 12.671 4.204 1.00 41.20 O ATOM 893 CB PRO A 59 -4.563 10.523 5.540 1.00 52.30 C ATOM 894 CG PRO A 59 -3.231 9.963 5.903 1.00 50.42 C ATOM 895 CD PRO A 59 -2.882 8.986 4.814 1.00 34.13 C ATOM 0 HA PRO A 59 -5.551 10.382 3.569 1.00 13.05 H new ATOM 0 HB2 PRO A 59 -4.699 11.521 5.956 1.00 52.30 H new ATOM 0 HB3 PRO A 59 -5.372 9.903 5.927 1.00 52.30 H new ATOM 0 HG2 PRO A 59 -2.482 10.752 5.974 1.00 50.42 H new ATOM 0 HG3 PRO A 59 -3.267 9.469 6.874 1.00 50.42 H new ATOM 0 HD2 PRO A 59 -1.808 8.954 4.632 1.00 34.13 H new ATOM 0 HD3 PRO A 59 -3.193 7.973 5.068 1.00 34.13 H new ATOM 903 N GLN A 60 -4.546 12.253 2.280 1.00 75.44 N ATOM 904 CA GLN A 60 -4.203 13.536 1.679 1.00 31.41 C ATOM 905 C GLN A 60 -4.809 13.664 0.285 1.00 0.02 C ATOM 906 O GLN A 60 -5.365 14.704 -0.068 1.00 73.53 O ATOM 907 CB GLN A 60 -2.684 13.699 1.604 1.00 33.22 C ATOM 908 CG GLN A 60 -2.146 14.799 2.504 1.00 22.20 C ATOM 909 CD GLN A 60 -0.652 14.685 2.736 1.00 44.11 C ATOM 910 OE1 GLN A 60 -0.008 13.751 2.257 1.00 3.13 O ATOM 911 NE2 GLN A 60 -0.092 15.638 3.472 1.00 70.40 N ATOM 0 H GLN A 60 -5.113 11.647 1.686 1.00 75.44 H new ATOM 0 HA GLN A 60 -4.615 14.325 2.309 1.00 31.41 H new ATOM 0 HB2 GLN A 60 -2.212 12.755 1.876 1.00 33.22 H new ATOM 0 HB3 GLN A 60 -2.400 13.913 0.574 1.00 33.22 H new ATOM 0 HG2 GLN A 60 -2.368 15.769 2.058 1.00 22.20 H new ATOM 0 HG3 GLN A 60 -2.663 14.764 3.463 1.00 22.20 H new ATOM 0 HE21 GLN A 60 -0.664 16.394 3.849 1.00 70.40 H new ATOM 0 HE22 GLN A 60 0.910 15.614 3.660 1.00 70.40 H new ATOM 920 N SER A 61 -4.697 12.599 -0.504 1.00 5.13 N ATOM 921 CA SER A 61 -5.230 12.594 -1.861 1.00 61.13 C ATOM 922 C SER A 61 -6.697 13.010 -1.870 1.00 32.23 C ATOM 923 O SER A 61 -7.572 12.246 -1.461 1.00 61.12 O ATOM 924 CB SER A 61 -5.077 11.207 -2.487 1.00 24.35 C ATOM 925 OG SER A 61 -3.899 11.128 -3.271 1.00 23.35 O ATOM 0 H SER A 61 -4.242 11.729 -0.226 1.00 5.13 H new ATOM 0 HA SER A 61 -4.663 13.315 -2.450 1.00 61.13 H new ATOM 0 HB2 SER A 61 -5.046 10.452 -1.702 1.00 24.35 H new ATOM 0 HB3 SER A 61 -5.946 10.987 -3.107 1.00 24.35 H new ATOM 0 HG SER A 61 -3.738 10.196 -3.527 1.00 23.35 H new ATOM 931 N ARG A 62 -6.959 14.225 -2.340 1.00 75.31 N ATOM 932 CA ARG A 62 -8.321 14.743 -2.402 1.00 32.44 C ATOM 933 C ARG A 62 -9.090 14.116 -3.560 1.00 24.22 C ATOM 934 O ARG A 62 -10.052 13.376 -3.352 1.00 51.42 O ATOM 935 CB ARG A 62 -8.303 16.265 -2.552 1.00 21.13 C ATOM 936 CG ARG A 62 -8.443 17.009 -1.234 1.00 53.54 C ATOM 937 CD ARG A 62 -9.625 17.967 -1.259 1.00 2.22 C ATOM 938 NE ARG A 62 -9.517 18.941 -2.341 1.00 52.14 N ATOM 939 CZ ARG A 62 -8.653 19.950 -2.340 1.00 1.00 C ATOM 940 NH1 ARG A 62 -7.824 20.115 -1.318 1.00 12.52 N ATOM 941 NH2 ARG A 62 -8.615 20.795 -3.363 1.00 22.31 N ATOM 0 H ARG A 62 -6.247 14.869 -2.683 1.00 75.31 H new ATOM 0 HA ARG A 62 -8.825 14.482 -1.471 1.00 32.44 H new ATOM 0 HB2 ARG A 62 -7.370 16.563 -3.031 1.00 21.13 H new ATOM 0 HB3 ARG A 62 -9.113 16.566 -3.217 1.00 21.13 H new ATOM 0 HG2 ARG A 62 -8.570 16.293 -0.422 1.00 53.54 H new ATOM 0 HG3 ARG A 62 -7.528 17.564 -1.029 1.00 53.54 H new ATOM 0 HD2 ARG A 62 -10.549 17.400 -1.373 1.00 2.22 H new ATOM 0 HD3 ARG A 62 -9.688 18.490 -0.305 1.00 2.22 H new ATOM 0 HE ARG A 62 -10.140 18.841 -3.143 1.00 52.14 H new ATOM 0 HH11 ARG A 62 -7.849 19.467 -0.531 1.00 12.52 H new ATOM 0 HH12 ARG A 62 -7.161 20.890 -1.319 1.00 12.52 H new ATOM 0 HH21 ARG A 62 -9.250 20.670 -4.151 1.00 22.31 H new ATOM 0 HH22 ARG A 62 -7.951 21.569 -3.361 1.00 22.31 H new ATOM 955 N PHE A 63 -8.659 14.415 -4.781 1.00 2.45 N ATOM 956 CA PHE A 63 -9.307 13.882 -5.974 1.00 13.45 C ATOM 957 C PHE A 63 -8.773 12.492 -6.307 1.00 53.34 C ATOM 958 O PHE A 63 -9.514 11.627 -6.772 1.00 24.52 O ATOM 959 CB PHE A 63 -9.091 14.822 -7.160 1.00 52.14 C ATOM 960 CG PHE A 63 -9.937 16.062 -7.106 1.00 13.24 C ATOM 961 CD1 PHE A 63 -11.236 16.054 -7.589 1.00 61.01 C ATOM 962 CD2 PHE A 63 -9.434 17.236 -6.569 1.00 12.24 C ATOM 963 CE1 PHE A 63 -12.017 17.193 -7.539 1.00 62.34 C ATOM 964 CE2 PHE A 63 -10.211 18.379 -6.516 1.00 33.42 C ATOM 965 CZ PHE A 63 -11.504 18.357 -7.003 1.00 3.20 C ATOM 0 H PHE A 63 -7.863 15.024 -4.970 1.00 2.45 H new ATOM 0 HA PHE A 63 -10.375 13.803 -5.773 1.00 13.45 H new ATOM 0 HB2 PHE A 63 -8.040 15.110 -7.198 1.00 52.14 H new ATOM 0 HB3 PHE A 63 -9.307 14.284 -8.083 1.00 52.14 H new ATOM 0 HD1 PHE A 63 -11.643 15.146 -8.010 1.00 61.01 H new ATOM 0 HD2 PHE A 63 -8.424 17.259 -6.188 1.00 12.24 H new ATOM 0 HE1 PHE A 63 -13.028 17.172 -7.919 1.00 62.34 H new ATOM 0 HE2 PHE A 63 -9.808 19.288 -6.094 1.00 33.42 H new ATOM 0 HZ PHE A 63 -12.112 19.249 -6.964 1.00 3.20 H new ATOM 975 N ASN A 64 -7.482 12.288 -6.067 1.00 74.24 N ATOM 976 CA ASN A 64 -6.848 11.004 -6.343 1.00 2.23 C ATOM 977 C ASN A 64 -7.621 9.863 -5.690 1.00 32.41 C ATOM 978 O ASN A 64 -7.838 8.816 -6.300 1.00 72.30 O ATOM 979 CB ASN A 64 -5.402 11.007 -5.841 1.00 52.20 C ATOM 980 CG ASN A 64 -4.407 10.688 -6.941 1.00 32.44 C ATOM 981 OD1 ASN A 64 -4.533 11.169 -8.066 1.00 11.01 O ATOM 982 ND2 ASN A 64 -3.411 9.871 -6.617 1.00 74.24 N ATOM 0 H ASN A 64 -6.855 12.995 -5.682 1.00 74.24 H new ATOM 0 HA ASN A 64 -6.852 10.851 -7.422 1.00 2.23 H new ATOM 0 HB2 ASN A 64 -5.170 11.984 -5.417 1.00 52.20 H new ATOM 0 HB3 ASN A 64 -5.298 10.278 -5.038 1.00 52.20 H new ATOM 0 HD21 ASN A 64 -2.711 9.619 -7.314 1.00 74.24 H new ATOM 0 HD22 ASN A 64 -3.346 9.496 -5.671 1.00 74.24 H new ATOM 989 N LYS A 65 -8.036 10.073 -4.446 1.00 11.55 N ATOM 990 CA LYS A 65 -8.788 9.064 -3.709 1.00 2.14 C ATOM 991 C LYS A 65 -10.018 8.621 -4.494 1.00 0.12 C ATOM 992 O LYS A 65 -10.177 7.440 -4.804 1.00 61.45 O ATOM 993 CB LYS A 65 -9.212 9.611 -2.343 1.00 23.45 C ATOM 994 CG LYS A 65 -10.187 8.711 -1.603 1.00 61.33 C ATOM 995 CD LYS A 65 -10.128 8.940 -0.103 1.00 14.12 C ATOM 996 CE LYS A 65 -11.434 9.514 0.425 1.00 11.14 C ATOM 997 NZ LYS A 65 -11.428 9.634 1.909 1.00 34.10 N ATOM 0 H LYS A 65 -7.864 10.934 -3.926 1.00 11.55 H new ATOM 0 HA LYS A 65 -8.141 8.199 -3.563 1.00 2.14 H new ATOM 0 HB2 LYS A 65 -8.324 9.755 -1.727 1.00 23.45 H new ATOM 0 HB3 LYS A 65 -9.668 10.592 -2.479 1.00 23.45 H new ATOM 0 HG2 LYS A 65 -11.199 8.898 -1.961 1.00 61.33 H new ATOM 0 HG3 LYS A 65 -9.959 7.668 -1.822 1.00 61.33 H new ATOM 0 HD2 LYS A 65 -9.913 7.998 0.402 1.00 14.12 H new ATOM 0 HD3 LYS A 65 -9.309 9.621 0.130 1.00 14.12 H new ATOM 0 HE2 LYS A 65 -11.605 10.495 -0.018 1.00 11.14 H new ATOM 0 HE3 LYS A 65 -12.262 8.876 0.116 1.00 11.14 H new ATOM 0 HZ1 LYS A 65 -12.335 10.029 2.229 1.00 34.10 H new ATOM 0 HZ2 LYS A 65 -11.291 8.694 2.333 1.00 34.10 H new ATOM 0 HZ3 LYS A 65 -10.654 10.263 2.203 1.00 34.10 H new ATOM 1011 N LYS A 66 -10.886 9.574 -4.814 1.00 51.21 N ATOM 1012 CA LYS A 66 -12.100 9.283 -5.566 1.00 13.43 C ATOM 1013 C LYS A 66 -11.775 8.555 -6.865 1.00 63.12 C ATOM 1014 O LYS A 66 -12.294 7.470 -7.127 1.00 74.12 O ATOM 1015 CB LYS A 66 -12.858 10.578 -5.870 1.00 35.24 C ATOM 1016 CG LYS A 66 -14.213 10.350 -6.519 1.00 13.04 C ATOM 1017 CD LYS A 66 -15.348 10.783 -5.606 1.00 71.32 C ATOM 1018 CE LYS A 66 -16.564 11.233 -6.403 1.00 63.23 C ATOM 1019 NZ LYS A 66 -17.499 12.044 -5.576 1.00 53.33 N ATOM 0 H LYS A 66 -10.771 10.556 -4.564 1.00 51.21 H new ATOM 0 HA LYS A 66 -12.729 8.635 -4.956 1.00 13.43 H new ATOM 0 HB2 LYS A 66 -12.997 11.134 -4.943 1.00 35.24 H new ATOM 0 HB3 LYS A 66 -12.250 11.200 -6.527 1.00 35.24 H new ATOM 0 HG2 LYS A 66 -14.267 10.904 -7.456 1.00 13.04 H new ATOM 0 HG3 LYS A 66 -14.326 9.294 -6.766 1.00 13.04 H new ATOM 0 HD2 LYS A 66 -15.626 9.956 -4.952 1.00 71.32 H new ATOM 0 HD3 LYS A 66 -15.010 11.597 -4.965 1.00 71.32 H new ATOM 0 HE2 LYS A 66 -16.238 11.818 -7.263 1.00 63.23 H new ATOM 0 HE3 LYS A 66 -17.087 10.359 -6.792 1.00 63.23 H new ATOM 0 HZ1 LYS A 66 -18.314 12.331 -6.154 1.00 53.33 H new ATOM 0 HZ2 LYS A 66 -17.830 11.477 -4.769 1.00 53.33 H new ATOM 0 HZ3 LYS A 66 -17.007 12.891 -5.226 1.00 53.33 H new ATOM 1033 N ARG A 67 -10.911 9.158 -7.676 1.00 10.35 N ATOM 1034 CA ARG A 67 -10.515 8.565 -8.948 1.00 12.52 C ATOM 1035 C ARG A 67 -10.040 7.129 -8.754 1.00 72.24 C ATOM 1036 O ARG A 67 -10.630 6.191 -9.293 1.00 72.40 O ATOM 1037 CB ARG A 67 -9.408 9.397 -9.600 1.00 15.32 C ATOM 1038 CG ARG A 67 -9.915 10.655 -10.286 1.00 30.34 C ATOM 1039 CD ARG A 67 -8.820 11.703 -10.408 1.00 23.53 C ATOM 1040 NE ARG A 67 -8.982 12.528 -11.602 1.00 30.22 N ATOM 1041 CZ ARG A 67 -8.654 12.123 -12.825 1.00 12.44 C ATOM 1042 NH1 ARG A 67 -8.150 10.912 -13.013 1.00 14.52 N ATOM 1043 NH2 ARG A 67 -8.833 12.933 -13.861 1.00 63.33 N ATOM 0 H ARG A 67 -10.472 10.056 -7.475 1.00 10.35 H new ATOM 0 HA ARG A 67 -11.386 8.555 -9.603 1.00 12.52 H new ATOM 0 HB2 ARG A 67 -8.680 9.677 -8.839 1.00 15.32 H new ATOM 0 HB3 ARG A 67 -8.885 8.781 -10.331 1.00 15.32 H new ATOM 0 HG2 ARG A 67 -10.291 10.403 -11.278 1.00 30.34 H new ATOM 0 HG3 ARG A 67 -10.752 11.066 -9.722 1.00 30.34 H new ATOM 0 HD2 ARG A 67 -8.828 12.340 -9.524 1.00 23.53 H new ATOM 0 HD3 ARG A 67 -7.848 11.210 -10.437 1.00 23.53 H new ATOM 0 HE ARG A 67 -9.368 13.466 -11.492 1.00 30.22 H new ATOM 0 HH11 ARG A 67 -8.013 10.288 -12.218 1.00 14.52 H new ATOM 0 HH12 ARG A 67 -7.899 10.604 -13.953 1.00 14.52 H new ATOM 0 HH21 ARG A 67 -9.222 13.865 -13.718 1.00 63.33 H new ATOM 0 HH22 ARG A 67 -8.582 12.623 -14.800 1.00 63.33 H new ATOM 1057 N LEU A 68 -8.971 6.963 -7.984 1.00 54.13 N ATOM 1058 CA LEU A 68 -8.416 5.641 -7.720 1.00 64.00 C ATOM 1059 C LEU A 68 -9.500 4.679 -7.246 1.00 52.02 C ATOM 1060 O LEU A 68 -9.451 3.483 -7.532 1.00 34.11 O ATOM 1061 CB LEU A 68 -7.305 5.732 -6.671 1.00 54.33 C ATOM 1062 CG LEU A 68 -5.891 5.952 -7.209 1.00 2.11 C ATOM 1063 CD1 LEU A 68 -5.859 7.142 -8.155 1.00 43.41 C ATOM 1064 CD2 LEU A 68 -4.910 6.154 -6.063 1.00 11.04 C ATOM 0 H LEU A 68 -8.471 7.728 -7.531 1.00 54.13 H new ATOM 0 HA LEU A 68 -7.998 5.258 -8.651 1.00 64.00 H new ATOM 0 HB2 LEU A 68 -7.543 6.547 -5.988 1.00 54.33 H new ATOM 0 HB3 LEU A 68 -7.310 4.813 -6.085 1.00 54.33 H new ATOM 0 HG LEU A 68 -5.592 5.063 -7.765 1.00 2.11 H new ATOM 0 HD11 LEU A 68 -4.845 7.283 -8.528 1.00 43.41 H new ATOM 0 HD12 LEU A 68 -6.531 6.959 -8.993 1.00 43.41 H new ATOM 0 HD13 LEU A 68 -6.178 8.038 -7.623 1.00 43.41 H new ATOM 0 HD21 LEU A 68 -3.909 6.309 -6.464 1.00 11.04 H new ATOM 0 HD22 LEU A 68 -5.206 7.026 -5.480 1.00 11.04 H new ATOM 0 HD23 LEU A 68 -4.912 5.272 -5.423 1.00 11.04 H new ATOM 1076 N GLU A 69 -10.481 5.212 -6.523 1.00 21.43 N ATOM 1077 CA GLU A 69 -11.578 4.400 -6.011 1.00 15.24 C ATOM 1078 C GLU A 69 -12.493 3.945 -7.144 1.00 31.41 C ATOM 1079 O GLU A 69 -12.705 2.749 -7.341 1.00 74.42 O ATOM 1080 CB GLU A 69 -12.385 5.187 -4.975 1.00 63.30 C ATOM 1081 CG GLU A 69 -11.940 4.941 -3.543 1.00 21.00 C ATOM 1082 CD GLU A 69 -12.912 5.505 -2.525 1.00 35.12 C ATOM 1083 OE1 GLU A 69 -14.068 5.788 -2.903 1.00 61.44 O ATOM 1084 OE2 GLU A 69 -12.518 5.663 -1.351 1.00 44.51 O ATOM 0 H GLU A 69 -10.538 6.201 -6.279 1.00 21.43 H new ATOM 0 HA GLU A 69 -11.151 3.518 -5.535 1.00 15.24 H new ATOM 0 HB2 GLU A 69 -12.302 6.251 -5.195 1.00 63.30 H new ATOM 0 HB3 GLU A 69 -13.438 4.923 -5.070 1.00 63.30 H new ATOM 0 HG2 GLU A 69 -11.830 3.869 -3.380 1.00 21.00 H new ATOM 0 HG3 GLU A 69 -10.958 5.389 -3.390 1.00 21.00 H new ATOM 1091 N GLU A 70 -13.033 4.909 -7.884 1.00 34.41 N ATOM 1092 CA GLU A 70 -13.926 4.606 -8.996 1.00 43.32 C ATOM 1093 C GLU A 70 -13.217 3.759 -10.049 1.00 1.32 C ATOM 1094 O GLU A 70 -13.860 3.119 -10.882 1.00 75.02 O ATOM 1095 CB GLU A 70 -14.442 5.900 -9.630 1.00 54.12 C ATOM 1096 CG GLU A 70 -13.340 6.792 -10.176 1.00 45.33 C ATOM 1097 CD GLU A 70 -13.880 8.009 -10.903 1.00 3.13 C ATOM 1098 OE1 GLU A 70 -15.080 8.313 -10.740 1.00 61.05 O ATOM 1099 OE2 GLU A 70 -13.102 8.657 -11.635 1.00 24.34 O ATOM 0 H GLU A 70 -12.868 5.904 -7.734 1.00 34.41 H new ATOM 0 HA GLU A 70 -14.770 4.037 -8.606 1.00 43.32 H new ATOM 0 HB2 GLU A 70 -15.129 5.650 -10.438 1.00 54.12 H new ATOM 0 HB3 GLU A 70 -15.013 6.456 -8.887 1.00 54.12 H new ATOM 0 HG2 GLU A 70 -12.701 7.118 -9.355 1.00 45.33 H new ATOM 0 HG3 GLU A 70 -12.714 6.215 -10.857 1.00 45.33 H new ATOM 1106 N ILE A 71 -11.890 3.761 -10.005 1.00 24.24 N ATOM 1107 CA ILE A 71 -11.093 2.992 -10.953 1.00 52.22 C ATOM 1108 C ILE A 71 -10.775 1.604 -10.406 1.00 72.35 C ATOM 1109 O ILE A 71 -10.740 0.624 -11.151 1.00 53.25 O ATOM 1110 CB ILE A 71 -9.774 3.711 -11.295 1.00 55.01 C ATOM 1111 CG1 ILE A 71 -10.061 5.082 -11.909 1.00 15.41 C ATOM 1112 CG2 ILE A 71 -8.939 2.864 -12.243 1.00 11.42 C ATOM 1113 CD1 ILE A 71 -8.941 6.081 -11.710 1.00 35.40 C ATOM 0 H ILE A 71 -11.343 4.287 -9.323 1.00 24.24 H new ATOM 0 HA ILE A 71 -11.690 2.895 -11.860 1.00 52.22 H new ATOM 0 HB ILE A 71 -9.207 3.857 -10.375 1.00 55.01 H new ATOM 0 HG12 ILE A 71 -10.244 4.962 -12.977 1.00 15.41 H new ATOM 0 HG13 ILE A 71 -10.976 5.482 -11.472 1.00 15.41 H new ATOM 0 HG21 ILE A 71 -8.011 3.386 -12.475 1.00 11.42 H new ATOM 0 HG22 ILE A 71 -8.710 1.908 -11.771 1.00 11.42 H new ATOM 0 HG23 ILE A 71 -9.497 2.690 -13.163 1.00 11.42 H new ATOM 0 HD11 ILE A 71 -9.214 7.030 -12.171 1.00 35.40 H new ATOM 0 HD12 ILE A 71 -8.772 6.231 -10.644 1.00 35.40 H new ATOM 0 HD13 ILE A 71 -8.029 5.702 -12.172 1.00 35.40 H new ATOM 1125 N THR A 72 -10.545 1.527 -9.100 1.00 43.20 N ATOM 1126 CA THR A 72 -10.230 0.260 -8.452 1.00 11.32 C ATOM 1127 C THR A 72 -11.433 -0.676 -8.462 1.00 42.11 C ATOM 1128 O THR A 72 -11.289 -1.887 -8.626 1.00 60.41 O ATOM 1129 CB THR A 72 -9.770 0.472 -6.997 1.00 72.33 C ATOM 1130 OG1 THR A 72 -10.583 1.467 -6.366 1.00 55.20 O ATOM 1131 CG2 THR A 72 -8.310 0.896 -6.946 1.00 70.34 C ATOM 0 H THR A 72 -10.571 2.328 -8.469 1.00 43.20 H new ATOM 0 HA THR A 72 -9.417 -0.192 -9.020 1.00 11.32 H new ATOM 0 HB THR A 72 -9.875 -0.474 -6.465 1.00 72.33 H new ATOM 0 HG1 THR A 72 -11.402 1.600 -6.888 1.00 55.20 H new ATOM 0 HG21 THR A 72 -8.009 1.039 -5.908 1.00 70.34 H new ATOM 0 HG22 THR A 72 -7.690 0.123 -7.400 1.00 70.34 H new ATOM 0 HG23 THR A 72 -8.183 1.830 -7.493 1.00 70.34 H new ATOM 1139 N LYS A 73 -12.621 -0.107 -8.287 1.00 25.02 N ATOM 1140 CA LYS A 73 -13.851 -0.890 -8.277 1.00 54.14 C ATOM 1141 C LYS A 73 -13.921 -1.807 -9.495 1.00 10.34 C ATOM 1142 O LYS A 73 -13.970 -3.031 -9.377 1.00 43.22 O ATOM 1143 CB LYS A 73 -15.069 0.036 -8.252 1.00 42.32 C ATOM 1144 CG LYS A 73 -15.860 -0.035 -6.958 1.00 21.25 C ATOM 1145 CD LYS A 73 -16.984 -1.053 -7.046 1.00 23.41 C ATOM 1146 CE LYS A 73 -17.372 -1.576 -5.671 1.00 73.10 C ATOM 1147 NZ LYS A 73 -18.518 -2.525 -5.741 1.00 1.02 N ATOM 0 H LYS A 73 -12.758 0.894 -8.150 1.00 25.02 H new ATOM 0 HA LYS A 73 -13.853 -1.507 -7.378 1.00 54.14 H new ATOM 0 HB2 LYS A 73 -14.738 1.062 -8.410 1.00 42.32 H new ATOM 0 HB3 LYS A 73 -15.726 -0.219 -9.084 1.00 42.32 H new ATOM 0 HG2 LYS A 73 -15.193 -0.298 -6.137 1.00 21.25 H new ATOM 0 HG3 LYS A 73 -16.274 0.947 -6.730 1.00 21.25 H new ATOM 0 HD2 LYS A 73 -17.853 -0.597 -7.521 1.00 23.41 H new ATOM 0 HD3 LYS A 73 -16.674 -1.885 -7.679 1.00 23.41 H new ATOM 0 HE2 LYS A 73 -16.515 -2.074 -5.217 1.00 73.10 H new ATOM 0 HE3 LYS A 73 -17.633 -0.738 -5.024 1.00 73.10 H new ATOM 0 HZ1 LYS A 73 -18.752 -2.858 -4.784 1.00 1.02 H new ATOM 0 HZ2 LYS A 73 -19.343 -2.043 -6.151 1.00 1.02 H new ATOM 0 HZ3 LYS A 73 -18.260 -3.337 -6.337 1.00 1.02 H new ATOM 1161 N PRO A 74 -13.927 -1.203 -10.692 1.00 45.21 N ATOM 1162 CA PRO A 74 -13.989 -1.947 -11.953 1.00 40.21 C ATOM 1163 C PRO A 74 -12.703 -2.716 -12.237 1.00 42.51 C ATOM 1164 O PRO A 74 -12.735 -3.824 -12.772 1.00 4.01 O ATOM 1165 CB PRO A 74 -14.199 -0.850 -13.002 1.00 31.13 C ATOM 1166 CG PRO A 74 -13.625 0.378 -12.385 1.00 13.32 C ATOM 1167 CD PRO A 74 -13.871 0.253 -10.907 1.00 21.23 C ATOM 0 HA PRO A 74 -14.775 -2.702 -11.942 1.00 40.21 H new ATOM 0 HB2 PRO A 74 -13.696 -1.095 -13.938 1.00 31.13 H new ATOM 0 HB3 PRO A 74 -15.256 -0.720 -13.233 1.00 31.13 H new ATOM 0 HG2 PRO A 74 -12.559 0.460 -12.598 1.00 13.32 H new ATOM 0 HG3 PRO A 74 -14.099 1.274 -12.785 1.00 13.32 H new ATOM 0 HD2 PRO A 74 -13.072 0.714 -10.326 1.00 21.23 H new ATOM 0 HD3 PRO A 74 -14.801 0.739 -10.612 1.00 21.23 H new ATOM 1175 N LYS A 75 -11.571 -2.120 -11.876 1.00 12.33 N ATOM 1176 CA LYS A 75 -10.273 -2.749 -12.089 1.00 54.55 C ATOM 1177 C LYS A 75 -10.144 -4.024 -11.263 1.00 50.31 C ATOM 1178 O LYS A 75 -9.361 -4.914 -11.595 1.00 13.21 O ATOM 1179 CB LYS A 75 -9.147 -1.778 -11.728 1.00 54.11 C ATOM 1180 CG LYS A 75 -8.834 -0.774 -12.824 1.00 53.23 C ATOM 1181 CD LYS A 75 -7.610 -1.186 -13.625 1.00 54.13 C ATOM 1182 CE LYS A 75 -7.968 -2.186 -14.714 1.00 72.14 C ATOM 1183 NZ LYS A 75 -7.311 -3.504 -14.494 1.00 61.32 N ATOM 0 H LYS A 75 -11.527 -1.202 -11.434 1.00 12.33 H new ATOM 0 HA LYS A 75 -10.193 -3.011 -13.144 1.00 54.55 H new ATOM 0 HB2 LYS A 75 -9.420 -1.239 -10.821 1.00 54.11 H new ATOM 0 HB3 LYS A 75 -8.246 -2.348 -11.501 1.00 54.11 H new ATOM 0 HG2 LYS A 75 -9.692 -0.682 -13.490 1.00 53.23 H new ATOM 0 HG3 LYS A 75 -8.667 0.208 -12.382 1.00 53.23 H new ATOM 0 HD2 LYS A 75 -7.154 -0.304 -14.075 1.00 54.13 H new ATOM 0 HD3 LYS A 75 -6.867 -1.623 -12.958 1.00 54.13 H new ATOM 0 HE2 LYS A 75 -9.049 -2.320 -14.743 1.00 72.14 H new ATOM 0 HE3 LYS A 75 -7.670 -1.789 -15.684 1.00 72.14 H new ATOM 0 HZ1 LYS A 75 -7.580 -4.158 -15.257 1.00 61.32 H new ATOM 0 HZ2 LYS A 75 -6.278 -3.381 -14.491 1.00 61.32 H new ATOM 0 HZ3 LYS A 75 -7.615 -3.895 -13.580 1.00 61.32 H new ATOM 1197 N GLY A 76 -10.918 -4.107 -10.185 1.00 5.32 N ATOM 1198 CA GLY A 76 -10.874 -5.278 -9.328 1.00 40.44 C ATOM 1199 C GLY A 76 -9.476 -5.577 -8.826 1.00 73.11 C ATOM 1200 O GLY A 76 -8.963 -6.680 -9.021 1.00 71.14 O ATOM 0 H GLY A 76 -11.575 -3.384 -9.890 1.00 5.32 H new ATOM 0 HA2 GLY A 76 -11.538 -5.126 -8.477 1.00 40.44 H new ATOM 0 HA3 GLY A 76 -11.252 -6.141 -9.877 1.00 40.44 H new ATOM 1204 N ILE A 77 -8.858 -4.595 -8.179 1.00 71.54 N ATOM 1205 CA ILE A 77 -7.511 -4.760 -7.649 1.00 31.32 C ATOM 1206 C ILE A 77 -7.475 -4.494 -6.147 1.00 44.14 C ATOM 1207 O ILE A 77 -8.303 -3.765 -5.601 1.00 74.50 O ATOM 1208 CB ILE A 77 -6.511 -3.820 -8.349 1.00 32.53 C ATOM 1209 CG1 ILE A 77 -7.022 -2.379 -8.314 1.00 75.01 C ATOM 1210 CG2 ILE A 77 -6.277 -4.271 -9.783 1.00 3.13 C ATOM 1211 CD1 ILE A 77 -6.084 -1.422 -7.612 1.00 54.23 C ATOM 0 H ILE A 77 -9.269 -3.677 -8.009 1.00 71.54 H new ATOM 0 HA ILE A 77 -7.221 -5.793 -7.840 1.00 31.32 H new ATOM 0 HB ILE A 77 -5.561 -3.861 -7.816 1.00 32.53 H new ATOM 0 HG12 ILE A 77 -7.182 -2.034 -9.335 1.00 75.01 H new ATOM 0 HG13 ILE A 77 -7.991 -2.358 -7.815 1.00 75.01 H new ATOM 0 HG21 ILE A 77 -5.568 -3.598 -10.265 1.00 3.13 H new ATOM 0 HG22 ILE A 77 -5.874 -5.284 -9.785 1.00 3.13 H new ATOM 0 HG23 ILE A 77 -7.221 -4.255 -10.328 1.00 3.13 H new ATOM 0 HD11 ILE A 77 -6.511 -0.419 -7.625 1.00 54.23 H new ATOM 0 HD12 ILE A 77 -5.943 -1.743 -6.580 1.00 54.23 H new ATOM 0 HD13 ILE A 77 -5.122 -1.414 -8.124 1.00 54.23 H new ATOM 1223 N PRO A 78 -6.491 -5.097 -5.463 1.00 71.02 N ATOM 1224 CA PRO A 78 -6.322 -4.938 -4.016 1.00 32.34 C ATOM 1225 C PRO A 78 -5.860 -3.536 -3.636 1.00 25.41 C ATOM 1226 O PRO A 78 -4.674 -3.217 -3.731 1.00 42.43 O ATOM 1227 CB PRO A 78 -5.244 -5.968 -3.670 1.00 31.51 C ATOM 1228 CG PRO A 78 -4.477 -6.152 -4.933 1.00 62.10 C ATOM 1229 CD PRO A 78 -5.469 -5.980 -6.050 1.00 11.41 C ATOM 0 HA PRO A 78 -7.259 -5.083 -3.478 1.00 32.34 H new ATOM 0 HB2 PRO A 78 -4.601 -5.613 -2.865 1.00 31.51 H new ATOM 0 HB3 PRO A 78 -5.686 -6.906 -3.335 1.00 31.51 H new ATOM 0 HG2 PRO A 78 -3.672 -5.421 -5.010 1.00 62.10 H new ATOM 0 HG3 PRO A 78 -4.016 -7.139 -4.969 1.00 62.10 H new ATOM 0 HD2 PRO A 78 -5.009 -5.533 -6.931 1.00 11.41 H new ATOM 0 HD3 PRO A 78 -5.893 -6.934 -6.362 1.00 11.41 H new ATOM 1237 N ILE A 79 -6.802 -2.704 -3.206 1.00 4.23 N ATOM 1238 CA ILE A 79 -6.489 -1.336 -2.810 1.00 73.03 C ATOM 1239 C ILE A 79 -6.943 -1.059 -1.382 1.00 33.03 C ATOM 1240 O ILE A 79 -8.035 -1.457 -0.979 1.00 71.32 O ATOM 1241 CB ILE A 79 -7.148 -0.313 -3.754 1.00 15.33 C ATOM 1242 CG1 ILE A 79 -6.843 1.113 -3.290 1.00 23.23 C ATOM 1243 CG2 ILE A 79 -8.651 -0.544 -3.819 1.00 1.31 C ATOM 1244 CD1 ILE A 79 -5.367 1.442 -3.283 1.00 2.45 C ATOM 0 H ILE A 79 -7.788 -2.953 -3.123 1.00 4.23 H new ATOM 0 HA ILE A 79 -5.406 -1.230 -2.871 1.00 73.03 H new ATOM 0 HB ILE A 79 -6.735 -0.446 -4.754 1.00 15.33 H new ATOM 0 HG12 ILE A 79 -7.361 1.817 -3.941 1.00 23.23 H new ATOM 0 HG13 ILE A 79 -7.243 1.253 -2.286 1.00 23.23 H new ATOM 0 HG21 ILE A 79 -9.103 0.187 -4.490 1.00 1.31 H new ATOM 0 HG22 ILE A 79 -8.849 -1.549 -4.191 1.00 1.31 H new ATOM 0 HG23 ILE A 79 -9.079 -0.435 -2.823 1.00 1.31 H new ATOM 0 HD11 ILE A 79 -5.225 2.468 -2.944 1.00 2.45 H new ATOM 0 HD12 ILE A 79 -4.846 0.761 -2.610 1.00 2.45 H new ATOM 0 HD13 ILE A 79 -4.965 1.334 -4.291 1.00 2.45 H new ATOM 1256 N GLU A 80 -6.097 -0.372 -0.620 1.00 64.05 N ATOM 1257 CA GLU A 80 -6.413 -0.041 0.764 1.00 24.34 C ATOM 1258 C GLU A 80 -6.059 1.411 1.071 1.00 42.43 C ATOM 1259 O GLU A 80 -5.408 2.084 0.271 1.00 2.23 O ATOM 1260 CB GLU A 80 -5.661 -0.972 1.718 1.00 32.45 C ATOM 1261 CG GLU A 80 -6.252 -2.370 1.796 1.00 13.42 C ATOM 1262 CD GLU A 80 -7.707 -2.365 2.226 1.00 11.13 C ATOM 1263 OE1 GLU A 80 -8.020 -1.725 3.252 1.00 74.40 O ATOM 1264 OE2 GLU A 80 -8.531 -3.002 1.537 1.00 41.30 O ATOM 0 H GLU A 80 -5.189 -0.034 -0.938 1.00 64.05 H new ATOM 0 HA GLU A 80 -7.485 -0.174 0.906 1.00 24.34 H new ATOM 0 HB2 GLU A 80 -4.621 -1.043 1.398 1.00 32.45 H new ATOM 0 HB3 GLU A 80 -5.658 -0.532 2.715 1.00 32.45 H new ATOM 0 HG2 GLU A 80 -6.167 -2.851 0.822 1.00 13.42 H new ATOM 0 HG3 GLU A 80 -5.671 -2.967 2.499 1.00 13.42 H new ATOM 1271 N ILE A 81 -6.494 1.887 2.234 1.00 62.55 N ATOM 1272 CA ILE A 81 -6.223 3.259 2.646 1.00 40.14 C ATOM 1273 C ILE A 81 -5.751 3.314 4.095 1.00 43.04 C ATOM 1274 O ILE A 81 -6.259 2.591 4.952 1.00 51.42 O ATOM 1275 CB ILE A 81 -7.469 4.149 2.489 1.00 53.30 C ATOM 1276 CG1 ILE A 81 -7.949 4.143 1.036 1.00 1.24 C ATOM 1277 CG2 ILE A 81 -7.167 5.569 2.947 1.00 63.53 C ATOM 1278 CD1 ILE A 81 -9.182 4.988 0.803 1.00 34.02 C ATOM 0 H ILE A 81 -7.035 1.343 2.906 1.00 62.55 H new ATOM 0 HA ILE A 81 -5.434 3.635 1.995 1.00 40.14 H new ATOM 0 HB ILE A 81 -8.265 3.747 3.116 1.00 53.30 H new ATOM 0 HG12 ILE A 81 -7.145 4.504 0.395 1.00 1.24 H new ATOM 0 HG13 ILE A 81 -8.160 3.117 0.736 1.00 1.24 H new ATOM 0 HG21 ILE A 81 -8.058 6.186 2.830 1.00 63.53 H new ATOM 0 HG22 ILE A 81 -6.869 5.557 3.995 1.00 63.53 H new ATOM 0 HG23 ILE A 81 -6.358 5.981 2.344 1.00 63.53 H new ATOM 0 HD11 ILE A 81 -9.465 4.937 -0.248 1.00 34.02 H new ATOM 0 HD12 ILE A 81 -10.001 4.614 1.418 1.00 34.02 H new ATOM 0 HD13 ILE A 81 -8.970 6.023 1.071 1.00 34.02 H new ATOM 1290 N ILE A 82 -4.776 4.177 4.360 1.00 2.22 N ATOM 1291 CA ILE A 82 -4.237 4.330 5.706 1.00 32.53 C ATOM 1292 C ILE A 82 -5.032 5.358 6.504 1.00 71.41 C ATOM 1293 O ILE A 82 -4.969 6.555 6.228 1.00 33.14 O ATOM 1294 CB ILE A 82 -2.757 4.753 5.675 1.00 64.41 C ATOM 1295 CG1 ILE A 82 -1.959 3.832 4.750 1.00 51.01 C ATOM 1296 CG2 ILE A 82 -2.172 4.737 7.080 1.00 24.11 C ATOM 1297 CD1 ILE A 82 -0.501 4.213 4.629 1.00 3.15 C ATOM 0 H ILE A 82 -4.343 4.781 3.661 1.00 2.22 H new ATOM 0 HA ILE A 82 -4.318 3.357 6.190 1.00 32.53 H new ATOM 0 HB ILE A 82 -2.694 5.770 5.287 1.00 64.41 H new ATOM 0 HG12 ILE A 82 -2.029 2.809 5.120 1.00 51.01 H new ATOM 0 HG13 ILE A 82 -2.413 3.844 3.759 1.00 51.01 H new ATOM 0 HG21 ILE A 82 -1.125 5.038 7.042 1.00 24.11 H new ATOM 0 HG22 ILE A 82 -2.726 5.430 7.713 1.00 24.11 H new ATOM 0 HG23 ILE A 82 -2.245 3.731 7.493 1.00 24.11 H new ATOM 0 HD11 ILE A 82 0.002 3.517 3.958 1.00 3.15 H new ATOM 0 HD12 ILE A 82 -0.421 5.224 4.230 1.00 3.15 H new ATOM 0 HD13 ILE A 82 -0.032 4.173 5.612 1.00 3.15 H new ATOM 1309 N ASN A 83 -5.777 4.881 7.496 1.00 74.21 N ATOM 1310 CA ASN A 83 -6.585 5.759 8.335 1.00 10.04 C ATOM 1311 C ASN A 83 -5.741 6.899 8.899 1.00 24.52 C ATOM 1312 O ASN A 83 -4.520 6.783 9.018 1.00 30.45 O ATOM 1313 CB ASN A 83 -7.219 4.964 9.479 1.00 51.44 C ATOM 1314 CG ASN A 83 -8.695 4.702 9.250 1.00 33.11 C ATOM 1315 OD1 ASN A 83 -9.532 5.582 9.452 1.00 60.03 O ATOM 1316 ND2 ASN A 83 -9.021 3.486 8.828 1.00 70.12 N ATOM 0 H ASN A 83 -5.838 3.892 7.738 1.00 74.21 H new ATOM 0 HA ASN A 83 -7.375 6.186 7.717 1.00 10.04 H new ATOM 0 HB2 ASN A 83 -6.697 4.014 9.591 1.00 51.44 H new ATOM 0 HB3 ASN A 83 -7.090 5.511 10.413 1.00 51.44 H new ATOM 0 HD21 ASN A 83 -9.999 3.250 8.658 1.00 70.12 H new ATOM 0 HD22 ASN A 83 -8.294 2.788 8.674 1.00 70.12 H new ATOM 1323 N THR A 84 -6.399 8.000 9.247 1.00 72.34 N ATOM 1324 CA THR A 84 -5.711 9.160 9.799 1.00 74.02 C ATOM 1325 C THR A 84 -4.828 8.766 10.977 1.00 42.04 C ATOM 1326 O THR A 84 -3.658 9.144 11.040 1.00 23.32 O ATOM 1327 CB THR A 84 -6.709 10.239 10.257 1.00 1.24 C ATOM 1328 OG1 THR A 84 -7.747 10.393 9.283 1.00 15.15 O ATOM 1329 CG2 THR A 84 -6.005 11.572 10.470 1.00 75.55 C ATOM 0 H THR A 84 -7.409 8.113 9.156 1.00 72.34 H new ATOM 0 HA THR A 84 -5.088 9.567 9.003 1.00 74.02 H new ATOM 0 HB THR A 84 -7.145 9.920 11.204 1.00 1.24 H new ATOM 0 HG1 THR A 84 -8.378 11.080 9.583 1.00 15.15 H new ATOM 0 HG21 THR A 84 -6.730 12.319 10.793 1.00 75.55 H new ATOM 0 HG22 THR A 84 -5.235 11.459 11.234 1.00 75.55 H new ATOM 0 HG23 THR A 84 -5.545 11.894 9.536 1.00 75.55 H new ATOM 1337 N ILE A 85 -5.395 8.007 11.907 1.00 35.33 N ATOM 1338 CA ILE A 85 -4.658 7.561 13.083 1.00 25.33 C ATOM 1339 C ILE A 85 -3.506 6.642 12.693 1.00 24.33 C ATOM 1340 O ILE A 85 -2.364 6.850 13.107 1.00 74.10 O ATOM 1341 CB ILE A 85 -5.575 6.823 14.077 1.00 2.33 C ATOM 1342 CG1 ILE A 85 -6.758 7.711 14.468 1.00 75.44 C ATOM 1343 CG2 ILE A 85 -4.790 6.405 15.311 1.00 22.31 C ATOM 1344 CD1 ILE A 85 -8.104 7.057 14.242 1.00 42.21 C ATOM 0 H ILE A 85 -6.363 7.687 11.870 1.00 35.33 H new ATOM 0 HA ILE A 85 -4.261 8.455 13.564 1.00 25.33 H new ATOM 0 HB ILE A 85 -5.962 5.925 13.595 1.00 2.33 H new ATOM 0 HG12 ILE A 85 -6.667 7.982 15.520 1.00 75.44 H new ATOM 0 HG13 ILE A 85 -6.712 8.637 13.895 1.00 75.44 H new ATOM 0 HG21 ILE A 85 -5.451 5.885 16.004 1.00 22.31 H new ATOM 0 HG22 ILE A 85 -3.977 5.741 15.017 1.00 22.31 H new ATOM 0 HG23 ILE A 85 -4.378 7.289 15.797 1.00 22.31 H new ATOM 0 HD11 ILE A 85 -8.897 7.743 14.541 1.00 42.21 H new ATOM 0 HD12 ILE A 85 -8.216 6.811 13.186 1.00 42.21 H new ATOM 0 HD13 ILE A 85 -8.170 6.146 14.836 1.00 42.21 H new ATOM 1356 N ASP A 86 -3.811 5.625 11.895 1.00 41.33 N ATOM 1357 CA ASP A 86 -2.800 4.674 11.446 1.00 55.55 C ATOM 1358 C ASP A 86 -1.626 5.397 10.793 1.00 52.34 C ATOM 1359 O ASP A 86 -0.467 5.050 11.018 1.00 12.21 O ATOM 1360 CB ASP A 86 -3.412 3.676 10.461 1.00 24.44 C ATOM 1361 CG ASP A 86 -4.004 2.465 11.158 1.00 2.43 C ATOM 1362 OD1 ASP A 86 -4.218 2.535 12.387 1.00 60.34 O ATOM 1363 OD2 ASP A 86 -4.251 1.450 10.475 1.00 2.02 O ATOM 0 H ASP A 86 -4.751 5.438 11.545 1.00 41.33 H new ATOM 0 HA ASP A 86 -2.431 4.134 12.318 1.00 55.55 H new ATOM 0 HB2 ASP A 86 -4.189 4.173 9.880 1.00 24.44 H new ATOM 0 HB3 ASP A 86 -2.647 3.349 9.757 1.00 24.44 H new ATOM 1368 N TYR A 87 -1.935 6.403 9.981 1.00 3.23 N ATOM 1369 CA TYR A 87 -0.906 7.173 9.293 1.00 44.54 C ATOM 1370 C TYR A 87 -0.135 8.051 10.273 1.00 10.43 C ATOM 1371 O TYR A 87 1.085 7.942 10.395 1.00 32.23 O ATOM 1372 CB TYR A 87 -1.534 8.039 8.200 1.00 41.23 C ATOM 1373 CG TYR A 87 -0.525 8.847 7.414 1.00 52.13 C ATOM 1374 CD1 TYR A 87 0.372 8.227 6.553 1.00 34.12 C ATOM 1375 CD2 TYR A 87 -0.471 10.230 7.531 1.00 11.41 C ATOM 1376 CE1 TYR A 87 1.295 8.962 5.834 1.00 61.34 C ATOM 1377 CE2 TYR A 87 0.447 10.973 6.814 1.00 24.42 C ATOM 1378 CZ TYR A 87 1.328 10.334 5.968 1.00 65.21 C ATOM 1379 OH TYR A 87 2.246 11.069 5.252 1.00 70.23 O ATOM 0 H TYR A 87 -2.890 6.704 9.784 1.00 3.23 H new ATOM 0 HA TYR A 87 -0.208 6.472 8.836 1.00 44.54 H new ATOM 0 HB2 TYR A 87 -2.088 7.398 7.514 1.00 41.23 H new ATOM 0 HB3 TYR A 87 -2.255 8.718 8.655 1.00 41.23 H new ATOM 0 HD1 TYR A 87 0.347 7.153 6.444 1.00 34.12 H new ATOM 0 HD2 TYR A 87 -1.159 10.733 8.194 1.00 11.41 H new ATOM 0 HE1 TYR A 87 1.987 8.465 5.171 1.00 61.34 H new ATOM 0 HE2 TYR A 87 0.474 12.048 6.916 1.00 24.42 H new ATOM 0 HH TYR A 87 2.245 10.773 4.318 1.00 70.23 H new ATOM 1389 N GLY A 88 -0.857 8.923 10.971 1.00 5.21 N ATOM 1390 CA GLY A 88 -0.224 9.808 11.932 1.00 15.23 C ATOM 1391 C GLY A 88 0.640 9.061 12.927 1.00 62.31 C ATOM 1392 O GLY A 88 1.613 9.605 13.449 1.00 2.11 O ATOM 0 H GLY A 88 -1.868 9.032 10.888 1.00 5.21 H new ATOM 0 HA2 GLY A 88 0.387 10.538 11.401 1.00 15.23 H new ATOM 0 HA3 GLY A 88 -0.992 10.365 12.469 1.00 15.23 H new ATOM 1396 N THR A 89 0.286 7.807 13.193 1.00 34.34 N ATOM 1397 CA THR A 89 1.034 6.983 14.134 1.00 3.43 C ATOM 1398 C THR A 89 2.128 6.193 13.424 1.00 10.05 C ATOM 1399 O THR A 89 3.129 5.817 14.033 1.00 64.04 O ATOM 1400 CB THR A 89 0.111 6.004 14.882 1.00 24.03 C ATOM 1401 OG1 THR A 89 -0.517 5.115 13.951 1.00 41.54 O ATOM 1402 CG2 THR A 89 -0.952 6.755 15.670 1.00 62.11 C ATOM 0 H THR A 89 -0.515 7.340 12.769 1.00 34.34 H new ATOM 0 HA THR A 89 1.490 7.662 14.855 1.00 3.43 H new ATOM 0 HB THR A 89 0.719 5.429 15.581 1.00 24.03 H new ATOM 0 HG1 THR A 89 -1.197 5.602 13.441 1.00 41.54 H new ATOM 0 HG21 THR A 89 -1.592 6.042 16.190 1.00 62.11 H new ATOM 0 HG22 THR A 89 -0.471 7.409 16.398 1.00 62.11 H new ATOM 0 HG23 THR A 89 -1.556 7.354 14.988 1.00 62.11 H new ATOM 1410 N MET A 90 1.929 5.944 12.134 1.00 15.44 N ATOM 1411 CA MET A 90 2.899 5.200 11.341 1.00 24.12 C ATOM 1412 C MET A 90 3.076 3.786 11.886 1.00 52.14 C ATOM 1413 O MET A 90 4.151 3.424 12.361 1.00 13.23 O ATOM 1414 CB MET A 90 4.246 5.926 11.331 1.00 41.45 C ATOM 1415 CG MET A 90 4.127 7.421 11.083 1.00 5.42 C ATOM 1416 SD MET A 90 5.731 8.220 10.878 1.00 12.41 S ATOM 1417 CE MET A 90 6.616 7.571 12.293 1.00 23.04 C ATOM 0 H MET A 90 1.104 6.247 11.616 1.00 15.44 H new ATOM 0 HA MET A 90 2.522 5.134 10.320 1.00 24.12 H new ATOM 0 HB2 MET A 90 4.745 5.763 12.286 1.00 41.45 H new ATOM 0 HB3 MET A 90 4.881 5.487 10.561 1.00 41.45 H new ATOM 0 HG2 MET A 90 3.524 7.591 10.191 1.00 5.42 H new ATOM 0 HG3 MET A 90 3.599 7.883 11.917 1.00 5.42 H new ATOM 0 HE1 MET A 90 7.507 8.173 12.472 1.00 23.04 H new ATOM 0 HE2 MET A 90 5.972 7.606 13.172 1.00 23.04 H new ATOM 0 HE3 MET A 90 6.908 6.539 12.098 1.00 23.04 H new ATOM 1427 N ASN A 91 2.013 2.992 11.812 1.00 63.31 N ATOM 1428 CA ASN A 91 2.051 1.617 12.298 1.00 24.35 C ATOM 1429 C ASN A 91 2.429 0.653 11.178 1.00 21.04 C ATOM 1430 O ASN A 91 1.569 0.180 10.436 1.00 44.53 O ATOM 1431 CB ASN A 91 0.694 1.225 12.887 1.00 0.33 C ATOM 1432 CG ASN A 91 0.690 1.261 14.404 1.00 51.22 C ATOM 1433 OD1 ASN A 91 0.549 2.323 15.010 1.00 54.44 O ATOM 1434 ND2 ASN A 91 0.845 0.097 15.024 1.00 25.20 N ATOM 0 H ASN A 91 1.115 3.277 11.421 1.00 63.31 H new ATOM 0 HA ASN A 91 2.810 1.555 13.077 1.00 24.35 H new ATOM 0 HB2 ASN A 91 -0.072 1.901 12.508 1.00 0.33 H new ATOM 0 HB3 ASN A 91 0.430 0.223 12.549 1.00 0.33 H new ATOM 0 HD21 ASN A 91 0.850 0.059 16.043 1.00 25.20 H new ATOM 0 HD22 ASN A 91 0.959 -0.759 14.481 1.00 25.20 H new ATOM 1441 N GLY A 92 3.723 0.366 11.063 1.00 54.01 N ATOM 1442 CA GLY A 92 4.192 -0.540 10.031 1.00 0.11 C ATOM 1443 C GLY A 92 3.446 -1.859 10.034 1.00 34.32 C ATOM 1444 O GLY A 92 3.014 -2.337 8.986 1.00 32.02 O ATOM 0 H GLY A 92 4.454 0.745 11.666 1.00 54.01 H new ATOM 0 HA2 GLY A 92 4.080 -0.065 9.056 1.00 0.11 H new ATOM 0 HA3 GLY A 92 5.256 -0.728 10.173 1.00 0.11 H new ATOM 1448 N GLU A 93 3.295 -2.449 11.216 1.00 0.45 N ATOM 1449 CA GLU A 93 2.598 -3.723 11.350 1.00 41.12 C ATOM 1450 C GLU A 93 1.210 -3.652 10.719 1.00 52.05 C ATOM 1451 O GLU A 93 0.833 -4.512 9.922 1.00 21.02 O ATOM 1452 CB GLU A 93 2.480 -4.112 12.824 1.00 22.45 C ATOM 1453 CG GLU A 93 1.934 -5.514 13.043 1.00 44.35 C ATOM 1454 CD GLU A 93 2.101 -5.989 14.473 1.00 62.14 C ATOM 1455 OE1 GLU A 93 2.325 -5.139 15.359 1.00 2.31 O ATOM 1456 OE2 GLU A 93 2.006 -7.213 14.706 1.00 45.31 O ATOM 0 H GLU A 93 3.646 -2.065 12.094 1.00 0.45 H new ATOM 0 HA GLU A 93 3.178 -4.483 10.826 1.00 41.12 H new ATOM 0 HB2 GLU A 93 3.462 -4.037 13.290 1.00 22.45 H new ATOM 0 HB3 GLU A 93 1.832 -3.396 13.329 1.00 22.45 H new ATOM 0 HG2 GLU A 93 0.877 -5.533 12.779 1.00 44.35 H new ATOM 0 HG3 GLU A 93 2.443 -6.207 12.372 1.00 44.35 H new ATOM 1463 N LYS A 94 0.453 -2.622 11.082 1.00 64.44 N ATOM 1464 CA LYS A 94 -0.892 -2.436 10.552 1.00 70.31 C ATOM 1465 C LYS A 94 -0.860 -2.244 9.039 1.00 51.13 C ATOM 1466 O LYS A 94 -1.743 -2.718 8.323 1.00 5.42 O ATOM 1467 CB LYS A 94 -1.563 -1.232 11.216 1.00 44.21 C ATOM 1468 CG LYS A 94 -1.818 -1.420 12.702 1.00 30.31 C ATOM 1469 CD LYS A 94 -3.038 -2.291 12.951 1.00 21.44 C ATOM 1470 CE LYS A 94 -3.076 -2.797 14.385 1.00 31.44 C ATOM 1471 NZ LYS A 94 -4.199 -3.752 14.607 1.00 52.12 N ATOM 0 H LYS A 94 0.749 -1.903 11.742 1.00 64.44 H new ATOM 0 HA LYS A 94 -1.469 -3.333 10.774 1.00 70.31 H new ATOM 0 HB2 LYS A 94 -0.936 -0.352 11.072 1.00 44.21 H new ATOM 0 HB3 LYS A 94 -2.511 -1.033 10.716 1.00 44.21 H new ATOM 0 HG2 LYS A 94 -0.944 -1.875 13.168 1.00 30.31 H new ATOM 0 HG3 LYS A 94 -1.961 -0.448 13.174 1.00 30.31 H new ATOM 0 HD2 LYS A 94 -3.943 -1.721 12.741 1.00 21.44 H new ATOM 0 HD3 LYS A 94 -3.028 -3.138 12.265 1.00 21.44 H new ATOM 0 HE2 LYS A 94 -2.131 -3.286 14.623 1.00 31.44 H new ATOM 0 HE3 LYS A 94 -3.178 -1.952 15.066 1.00 31.44 H new ATOM 0 HZ1 LYS A 94 -4.191 -4.074 15.596 1.00 52.12 H new ATOM 0 HZ2 LYS A 94 -5.103 -3.278 14.405 1.00 52.12 H new ATOM 0 HZ3 LYS A 94 -4.088 -4.571 13.976 1.00 52.12 H new ATOM 1485 N VAL A 95 0.164 -1.545 8.558 1.00 71.23 N ATOM 1486 CA VAL A 95 0.312 -1.292 7.130 1.00 5.32 C ATOM 1487 C VAL A 95 0.492 -2.593 6.356 1.00 34.45 C ATOM 1488 O VAL A 95 -0.375 -2.988 5.575 1.00 74.10 O ATOM 1489 CB VAL A 95 1.513 -0.369 6.845 1.00 35.43 C ATOM 1490 CG1 VAL A 95 1.635 -0.097 5.354 1.00 4.45 C ATOM 1491 CG2 VAL A 95 1.381 0.931 7.624 1.00 53.12 C ATOM 0 H VAL A 95 0.903 -1.144 9.136 1.00 71.23 H new ATOM 0 HA VAL A 95 -0.603 -0.800 6.800 1.00 5.32 H new ATOM 0 HB VAL A 95 2.423 -0.872 7.173 1.00 35.43 H new ATOM 0 HG11 VAL A 95 2.488 0.556 5.172 1.00 4.45 H new ATOM 0 HG12 VAL A 95 1.779 -1.038 4.823 1.00 4.45 H new ATOM 0 HG13 VAL A 95 0.726 0.386 4.997 1.00 4.45 H new ATOM 0 HG21 VAL A 95 2.237 1.571 7.411 1.00 53.12 H new ATOM 0 HG22 VAL A 95 0.464 1.441 7.328 1.00 53.12 H new ATOM 0 HG23 VAL A 95 1.347 0.714 8.692 1.00 53.12 H new ATOM 1501 N LEU A 96 1.620 -3.257 6.579 1.00 11.41 N ATOM 1502 CA LEU A 96 1.913 -4.516 5.903 1.00 4.24 C ATOM 1503 C LEU A 96 0.760 -5.501 6.062 1.00 72.00 C ATOM 1504 O LEU A 96 0.315 -6.111 5.090 1.00 32.05 O ATOM 1505 CB LEU A 96 3.201 -5.127 6.458 1.00 0.21 C ATOM 1506 CG LEU A 96 3.296 -5.226 7.981 1.00 13.41 C ATOM 1507 CD1 LEU A 96 2.964 -6.635 8.447 1.00 74.12 C ATOM 1508 CD2 LEU A 96 4.682 -4.817 8.458 1.00 64.23 C ATOM 0 H LEU A 96 2.347 -2.945 7.223 1.00 11.41 H new ATOM 0 HA LEU A 96 2.044 -4.308 4.841 1.00 4.24 H new ATOM 0 HB2 LEU A 96 3.313 -6.128 6.041 1.00 0.21 H new ATOM 0 HB3 LEU A 96 4.044 -4.536 6.099 1.00 0.21 H new ATOM 0 HG LEU A 96 2.568 -4.541 8.415 1.00 13.41 H new ATOM 0 HD11 LEU A 96 3.037 -6.686 9.533 1.00 74.12 H new ATOM 0 HD12 LEU A 96 1.950 -6.891 8.139 1.00 74.12 H new ATOM 0 HD13 LEU A 96 3.667 -7.340 8.003 1.00 74.12 H new ATOM 0 HD21 LEU A 96 4.730 -4.894 9.544 1.00 64.23 H new ATOM 0 HD22 LEU A 96 5.429 -5.475 8.014 1.00 64.23 H new ATOM 0 HD23 LEU A 96 4.881 -3.788 8.158 1.00 64.23 H new ATOM 1520 N GLN A 97 0.279 -5.648 7.292 1.00 2.21 N ATOM 1521 CA GLN A 97 -0.823 -6.558 7.577 1.00 13.44 C ATOM 1522 C GLN A 97 -2.022 -6.256 6.685 1.00 72.54 C ATOM 1523 O GLN A 97 -2.598 -7.158 6.074 1.00 71.00 O ATOM 1524 CB GLN A 97 -1.230 -6.455 9.048 1.00 24.45 C ATOM 1525 CG GLN A 97 -0.331 -7.248 9.984 1.00 4.32 C ATOM 1526 CD GLN A 97 -0.207 -8.704 9.582 1.00 54.53 C ATOM 1527 OE1 GLN A 97 0.888 -9.265 9.568 1.00 25.11 O ATOM 1528 NE2 GLN A 97 -1.334 -9.325 9.251 1.00 4.54 N ATOM 0 H GLN A 97 0.635 -5.149 8.107 1.00 2.21 H new ATOM 0 HA GLN A 97 -0.485 -7.573 7.370 1.00 13.44 H new ATOM 0 HB2 GLN A 97 -1.218 -5.407 9.347 1.00 24.45 H new ATOM 0 HB3 GLN A 97 -2.256 -6.806 9.158 1.00 24.45 H new ATOM 0 HG2 GLN A 97 0.660 -6.794 10.000 1.00 4.32 H new ATOM 0 HG3 GLN A 97 -0.726 -7.188 10.998 1.00 4.32 H new ATOM 0 HE21 GLN A 97 -2.220 -8.821 9.277 1.00 4.54 H new ATOM 0 HE22 GLN A 97 -1.313 -10.306 8.971 1.00 4.54 H new ATOM 1537 N LEU A 98 -2.395 -4.983 6.613 1.00 41.55 N ATOM 1538 CA LEU A 98 -3.527 -4.562 5.794 1.00 44.11 C ATOM 1539 C LEU A 98 -3.312 -4.941 4.333 1.00 61.14 C ATOM 1540 O LEU A 98 -4.184 -5.538 3.701 1.00 33.44 O ATOM 1541 CB LEU A 98 -3.734 -3.051 5.915 1.00 0.52 C ATOM 1542 CG LEU A 98 -5.105 -2.525 5.487 1.00 63.32 C ATOM 1543 CD1 LEU A 98 -6.171 -2.932 6.492 1.00 61.40 C ATOM 1544 CD2 LEU A 98 -5.070 -1.012 5.327 1.00 65.22 C ATOM 0 H LEU A 98 -1.930 -4.224 7.112 1.00 41.55 H new ATOM 0 HA LEU A 98 -4.418 -5.075 6.156 1.00 44.11 H new ATOM 0 HB2 LEU A 98 -3.564 -2.763 6.953 1.00 0.52 H new ATOM 0 HB3 LEU A 98 -2.972 -2.551 5.317 1.00 0.52 H new ATOM 0 HG LEU A 98 -5.357 -2.967 4.523 1.00 63.32 H new ATOM 0 HD11 LEU A 98 -7.139 -2.549 6.171 1.00 61.40 H new ATOM 0 HD12 LEU A 98 -6.214 -4.019 6.556 1.00 61.40 H new ATOM 0 HD13 LEU A 98 -5.925 -2.520 7.471 1.00 61.40 H new ATOM 0 HD21 LEU A 98 -6.054 -0.656 5.022 1.00 65.22 H new ATOM 0 HD22 LEU A 98 -4.795 -0.552 6.276 1.00 65.22 H new ATOM 0 HD23 LEU A 98 -4.336 -0.743 4.568 1.00 65.22 H new ATOM 1556 N ALA A 99 -2.145 -4.593 3.801 1.00 40.34 N ATOM 1557 CA ALA A 99 -1.815 -4.901 2.415 1.00 31.41 C ATOM 1558 C ALA A 99 -1.998 -6.386 2.124 1.00 60.20 C ATOM 1559 O ALA A 99 -2.598 -6.762 1.117 1.00 72.23 O ATOM 1560 CB ALA A 99 -0.388 -4.472 2.105 1.00 72.12 C ATOM 0 H ALA A 99 -1.412 -4.098 4.309 1.00 40.34 H new ATOM 0 HA ALA A 99 -2.498 -4.345 1.772 1.00 31.41 H new ATOM 0 HB1 ALA A 99 -0.155 -4.708 1.067 1.00 72.12 H new ATOM 0 HB2 ALA A 99 -0.288 -3.398 2.265 1.00 72.12 H new ATOM 0 HB3 ALA A 99 0.302 -5.002 2.761 1.00 72.12 H new ATOM 1566 N ILE A 100 -1.475 -7.227 3.011 1.00 14.34 N ATOM 1567 CA ILE A 100 -1.583 -8.671 2.849 1.00 61.35 C ATOM 1568 C ILE A 100 -3.041 -9.115 2.820 1.00 53.25 C ATOM 1569 O ILE A 100 -3.472 -9.806 1.897 1.00 41.02 O ATOM 1570 CB ILE A 100 -0.853 -9.421 3.979 1.00 11.53 C ATOM 1571 CG1 ILE A 100 0.626 -9.030 4.007 1.00 25.21 C ATOM 1572 CG2 ILE A 100 -1.006 -10.924 3.804 1.00 11.05 C ATOM 1573 CD1 ILE A 100 1.299 -9.306 5.334 1.00 65.34 C ATOM 0 H ILE A 100 -0.973 -6.933 3.849 1.00 14.34 H new ATOM 0 HA ILE A 100 -1.112 -8.916 1.897 1.00 61.35 H new ATOM 0 HB ILE A 100 -1.303 -9.139 4.931 1.00 11.53 H new ATOM 0 HG12 ILE A 100 1.152 -9.573 3.222 1.00 25.21 H new ATOM 0 HG13 ILE A 100 0.717 -7.969 3.776 1.00 25.21 H new ATOM 0 HG21 ILE A 100 -0.484 -11.439 4.611 1.00 11.05 H new ATOM 0 HG22 ILE A 100 -2.063 -11.187 3.829 1.00 11.05 H new ATOM 0 HG23 ILE A 100 -0.580 -11.224 2.847 1.00 11.05 H new ATOM 0 HD11 ILE A 100 2.345 -9.004 5.281 1.00 65.34 H new ATOM 0 HD12 ILE A 100 0.798 -8.742 6.120 1.00 65.34 H new ATOM 0 HD13 ILE A 100 1.239 -10.371 5.558 1.00 65.34 H new ATOM 1585 N ASN A 101 -3.798 -8.712 3.835 1.00 4.03 N ATOM 1586 CA ASN A 101 -5.209 -9.066 3.925 1.00 20.53 C ATOM 1587 C ASN A 101 -5.946 -8.696 2.641 1.00 4.33 C ATOM 1588 O ASN A 101 -6.714 -9.492 2.103 1.00 60.23 O ATOM 1589 CB ASN A 101 -5.858 -8.365 5.119 1.00 11.23 C ATOM 1590 CG ASN A 101 -5.106 -8.611 6.413 1.00 43.33 C ATOM 1591 OD1 ASN A 101 -4.236 -9.479 6.483 1.00 41.44 O ATOM 1592 ND2 ASN A 101 -5.438 -7.844 7.445 1.00 31.55 N ATOM 0 H ASN A 101 -3.457 -8.139 4.607 1.00 4.03 H new ATOM 0 HA ASN A 101 -5.278 -10.145 4.065 1.00 20.53 H new ATOM 0 HB2 ASN A 101 -5.904 -7.293 4.927 1.00 11.23 H new ATOM 0 HB3 ASN A 101 -6.885 -8.713 5.227 1.00 11.23 H new ATOM 0 HD21 ASN A 101 -4.965 -7.962 8.341 1.00 31.55 H new ATOM 0 HD22 ASN A 101 -6.166 -7.137 7.341 1.00 31.55 H new ATOM 1599 N ALA A 102 -5.706 -7.481 2.158 1.00 72.24 N ATOM 1600 CA ALA A 102 -6.345 -7.006 0.937 1.00 72.13 C ATOM 1601 C ALA A 102 -5.987 -7.893 -0.251 1.00 41.22 C ATOM 1602 O ALA A 102 -6.860 -8.309 -1.014 1.00 3.25 O ATOM 1603 CB ALA A 102 -5.946 -5.563 0.660 1.00 75.32 C ATOM 0 H ALA A 102 -5.074 -6.809 2.593 1.00 72.24 H new ATOM 0 HA ALA A 102 -7.425 -7.053 1.079 1.00 72.13 H new ATOM 0 HB1 ALA A 102 -6.430 -5.221 -0.255 1.00 75.32 H new ATOM 0 HB2 ALA A 102 -6.258 -4.933 1.493 1.00 75.32 H new ATOM 0 HB3 ALA A 102 -4.864 -5.501 0.543 1.00 75.32 H new ATOM 1609 N PHE A 103 -4.698 -8.178 -0.403 1.00 60.51 N ATOM 1610 CA PHE A 103 -4.224 -9.015 -1.500 1.00 11.43 C ATOM 1611 C PHE A 103 -4.948 -10.358 -1.512 1.00 13.13 C ATOM 1612 O PHE A 103 -5.515 -10.761 -2.526 1.00 53.44 O ATOM 1613 CB PHE A 103 -2.714 -9.237 -1.385 1.00 13.45 C ATOM 1614 CG PHE A 103 -2.137 -10.030 -2.521 1.00 71.14 C ATOM 1615 CD1 PHE A 103 -1.950 -9.448 -3.766 1.00 14.44 C ATOM 1616 CD2 PHE A 103 -1.779 -11.357 -2.348 1.00 20.11 C ATOM 1617 CE1 PHE A 103 -1.421 -10.175 -4.814 1.00 5.02 C ATOM 1618 CE2 PHE A 103 -1.247 -12.089 -3.392 1.00 73.53 C ATOM 1619 CZ PHE A 103 -1.066 -11.497 -4.627 1.00 14.34 C ATOM 0 H PHE A 103 -3.963 -7.842 0.219 1.00 60.51 H new ATOM 0 HA PHE A 103 -4.438 -8.499 -2.436 1.00 11.43 H new ATOM 0 HB2 PHE A 103 -2.215 -8.269 -1.338 1.00 13.45 H new ATOM 0 HB3 PHE A 103 -2.501 -9.752 -0.448 1.00 13.45 H new ATOM 0 HD1 PHE A 103 -2.221 -8.414 -3.918 1.00 14.44 H new ATOM 0 HD2 PHE A 103 -1.918 -11.825 -1.385 1.00 20.11 H new ATOM 0 HE1 PHE A 103 -1.285 -9.710 -5.779 1.00 5.02 H new ATOM 0 HE2 PHE A 103 -0.973 -13.123 -3.243 1.00 73.53 H new ATOM 0 HZ PHE A 103 -0.648 -12.066 -5.444 1.00 14.34 H new ATOM 1629 N ASN A 104 -4.923 -11.046 -0.375 1.00 62.25 N ATOM 1630 CA ASN A 104 -5.575 -12.345 -0.254 1.00 33.50 C ATOM 1631 C ASN A 104 -7.087 -12.209 -0.398 1.00 74.42 C ATOM 1632 O ASN A 104 -7.757 -13.113 -0.899 1.00 2.35 O ATOM 1633 CB ASN A 104 -5.236 -12.986 1.093 1.00 5.32 C ATOM 1634 CG ASN A 104 -4.239 -14.121 0.959 1.00 45.10 C ATOM 1635 OD1 ASN A 104 -4.589 -15.224 0.541 1.00 73.30 O ATOM 1636 ND2 ASN A 104 -2.987 -13.853 1.314 1.00 52.32 N ATOM 0 H ASN A 104 -4.459 -10.726 0.475 1.00 62.25 H new ATOM 0 HA ASN A 104 -5.207 -12.985 -1.056 1.00 33.50 H new ATOM 0 HB2 ASN A 104 -4.830 -12.227 1.762 1.00 5.32 H new ATOM 0 HB3 ASN A 104 -6.150 -13.361 1.554 1.00 5.32 H new ATOM 0 HD21 ASN A 104 -2.271 -14.577 1.245 1.00 52.32 H new ATOM 0 HD22 ASN A 104 -2.742 -12.924 1.655 1.00 52.32 H new ATOM 1643 N ASN A 105 -7.620 -11.074 0.043 1.00 24.41 N ATOM 1644 CA ASN A 105 -9.053 -10.819 -0.037 1.00 32.20 C ATOM 1645 C ASN A 105 -9.526 -10.819 -1.488 1.00 3.14 C ATOM 1646 O ASN A 105 -10.514 -11.467 -1.831 1.00 12.12 O ATOM 1647 CB ASN A 105 -9.392 -9.481 0.622 1.00 71.22 C ATOM 1648 CG ASN A 105 -10.887 -9.230 0.686 1.00 65.11 C ATOM 1649 OD1 ASN A 105 -11.463 -8.616 -0.212 1.00 2.41 O ATOM 1650 ND2 ASN A 105 -11.521 -9.707 1.751 1.00 55.43 N ATOM 0 H ASN A 105 -7.080 -10.316 0.460 1.00 24.41 H new ATOM 0 HA ASN A 105 -9.569 -11.619 0.494 1.00 32.20 H new ATOM 0 HB2 ASN A 105 -8.980 -9.461 1.631 1.00 71.22 H new ATOM 0 HB3 ASN A 105 -8.914 -8.674 0.066 1.00 71.22 H new ATOM 0 HD21 ASN A 105 -12.527 -9.570 1.849 1.00 55.43 H new ATOM 0 HD22 ASN A 105 -11.002 -10.210 2.471 1.00 55.43 H new ATOM 1657 N LYS A 106 -8.811 -10.087 -2.336 1.00 71.42 N ATOM 1658 CA LYS A 106 -9.154 -10.002 -3.751 1.00 63.31 C ATOM 1659 C LYS A 106 -8.664 -11.235 -4.505 1.00 2.01 C ATOM 1660 O LYS A 106 -9.228 -11.610 -5.533 1.00 24.42 O ATOM 1661 CB LYS A 106 -8.548 -8.740 -4.369 1.00 53.31 C ATOM 1662 CG LYS A 106 -9.243 -7.459 -3.938 1.00 51.01 C ATOM 1663 CD LYS A 106 -10.264 -7.006 -4.969 1.00 2.01 C ATOM 1664 CE LYS A 106 -11.621 -6.749 -4.333 1.00 35.31 C ATOM 1665 NZ LYS A 106 -12.736 -6.972 -5.295 1.00 65.41 N ATOM 0 H LYS A 106 -7.990 -9.544 -2.068 1.00 71.42 H new ATOM 0 HA LYS A 106 -10.240 -9.955 -3.833 1.00 63.31 H new ATOM 0 HB2 LYS A 106 -7.494 -8.682 -4.096 1.00 53.31 H new ATOM 0 HB3 LYS A 106 -8.592 -8.820 -5.455 1.00 53.31 H new ATOM 0 HG2 LYS A 106 -9.737 -7.617 -2.979 1.00 51.01 H new ATOM 0 HG3 LYS A 106 -8.502 -6.674 -3.789 1.00 51.01 H new ATOM 0 HD2 LYS A 106 -9.912 -6.097 -5.457 1.00 2.01 H new ATOM 0 HD3 LYS A 106 -10.362 -7.766 -5.744 1.00 2.01 H new ATOM 0 HE2 LYS A 106 -11.748 -7.404 -3.471 1.00 35.31 H new ATOM 0 HE3 LYS A 106 -11.660 -5.725 -3.963 1.00 35.31 H new ATOM 0 HZ1 LYS A 106 -13.644 -6.786 -4.823 1.00 65.41 H new ATOM 0 HZ2 LYS A 106 -12.629 -6.329 -6.105 1.00 65.41 H new ATOM 0 HZ3 LYS A 106 -12.714 -7.957 -5.629 1.00 65.41 H new ATOM 1679 N SER A 107 -7.613 -11.862 -3.985 1.00 43.33 N ATOM 1680 CA SER A 107 -7.047 -13.051 -4.610 1.00 42.15 C ATOM 1681 C SER A 107 -6.552 -12.740 -6.021 1.00 11.44 C ATOM 1682 O SER A 107 -6.796 -11.657 -6.550 1.00 43.34 O ATOM 1683 CB SER A 107 -8.086 -14.173 -4.659 1.00 12.21 C ATOM 1684 OG SER A 107 -7.532 -15.399 -4.216 1.00 75.42 O ATOM 0 H SER A 107 -7.137 -11.566 -3.133 1.00 43.33 H new ATOM 0 HA SER A 107 -6.199 -13.377 -4.008 1.00 42.15 H new ATOM 0 HB2 SER A 107 -8.940 -13.910 -4.035 1.00 12.21 H new ATOM 0 HB3 SER A 107 -8.458 -14.285 -5.678 1.00 12.21 H new ATOM 0 HG SER A 107 -8.216 -16.100 -4.255 1.00 75.42 H new ATOM 1690 N SER A 108 -5.855 -13.700 -6.621 1.00 54.53 N ATOM 1691 CA SER A 108 -5.322 -13.528 -7.967 1.00 75.53 C ATOM 1692 C SER A 108 -5.069 -14.880 -8.628 1.00 20.52 C ATOM 1693 O SER A 108 -3.937 -15.363 -8.668 1.00 1.33 O ATOM 1694 CB SER A 108 -4.025 -12.717 -7.926 1.00 53.24 C ATOM 1695 OG SER A 108 -4.165 -11.575 -7.099 1.00 62.35 O ATOM 0 H SER A 108 -5.647 -14.604 -6.197 1.00 54.53 H new ATOM 0 HA SER A 108 -6.062 -12.987 -8.557 1.00 75.53 H new ATOM 0 HB2 SER A 108 -3.213 -13.342 -7.554 1.00 53.24 H new ATOM 0 HB3 SER A 108 -3.753 -12.408 -8.935 1.00 53.24 H new ATOM 0 HG SER A 108 -5.095 -11.268 -7.120 1.00 62.35 H new ATOM 1701 N VAL A 109 -6.133 -15.487 -9.145 1.00 4.03 N ATOM 1702 CA VAL A 109 -6.027 -16.784 -9.805 1.00 14.30 C ATOM 1703 C VAL A 109 -6.902 -16.838 -11.052 1.00 63.41 C ATOM 1704 O VAL A 109 -6.546 -16.294 -12.097 1.00 55.13 O ATOM 1705 CB VAL A 109 -6.430 -17.930 -8.858 1.00 43.14 C ATOM 1706 CG1 VAL A 109 -6.284 -19.274 -9.554 1.00 60.04 C ATOM 1707 CG2 VAL A 109 -5.597 -17.886 -7.585 1.00 60.44 C ATOM 0 H VAL A 109 -7.077 -15.102 -9.120 1.00 4.03 H new ATOM 0 HA VAL A 109 -4.983 -16.910 -10.091 1.00 14.30 H new ATOM 0 HB VAL A 109 -7.477 -17.802 -8.585 1.00 43.14 H new ATOM 0 HG11 VAL A 109 -6.573 -20.072 -8.870 1.00 60.04 H new ATOM 0 HG12 VAL A 109 -6.927 -19.300 -10.434 1.00 60.04 H new ATOM 0 HG13 VAL A 109 -5.247 -19.415 -9.858 1.00 60.04 H new ATOM 0 HG21 VAL A 109 -5.895 -18.702 -6.927 1.00 60.44 H new ATOM 0 HG22 VAL A 109 -4.542 -17.989 -7.837 1.00 60.44 H new ATOM 0 HG23 VAL A 109 -5.757 -16.935 -7.078 1.00 60.44 H new TER 1717 VAL A 109