USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 834 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 48 GLN : amide:sc= -2.5! C(o=-3.5!,f=-9.6!) USER MOD Set 1.2: A 68 TYR OH : rot -130:sc= -1.03 USER MOD Single : A 1 GLY N :NH3+ -148:sc= -0.0012 (180deg=-0.498) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.7!) USER MOD Single : A 10 ASN : amide:sc= -0.68 K(o=-0.68,f=-1.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -5:sc= 0.185 USER MOD Single : A 28 SER OG : rot 180:sc= -0.798 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -110:sc= -0.1 (180deg=-0.563) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.61 K(o=-1.6,f=-13!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.058 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.353 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 63 THR OG1 : rot 32:sc= 0.368 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.275 K(o=-0.27,f=-1.5) USER MOD Single : A 70 HIS : no HE2:sc= -11.2! C(o=-11!,f=-14!) USER MOD Single : A 74 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0295 K(o=-0.029,f=-0.84) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.006) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.316 K(o=0.32,f=-9.2!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.00065) USER MOD Single : A 105 ASN : amide:sc= -0.0895 K(o=-0.089,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.845 0.768 28.053 1.00 0.00 N ATOM 2 CA GLY A 1 29.557 1.846 29.037 1.00 0.00 C ATOM 3 C GLY A 1 30.483 1.801 30.238 1.00 0.00 C ATOM 4 O GLY A 1 30.099 1.311 31.300 1.00 0.00 O ATOM 0 H1 GLY A 1 29.630 1.107 27.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.850 0.505 28.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.257 -0.063 28.267 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.650 2.815 28.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.525 1.758 29.375 1.00 0.00 H new ATOM 10 N PRO A 2 31.720 2.308 30.100 1.00 0.00 N ATOM 11 CA PRO A 2 32.697 2.316 31.193 1.00 0.00 C ATOM 12 C PRO A 2 32.134 2.934 32.468 1.00 0.00 C ATOM 13 O PRO A 2 31.930 4.145 32.546 1.00 0.00 O ATOM 14 CB PRO A 2 33.840 3.174 30.643 1.00 0.00 C ATOM 15 CG PRO A 2 33.730 3.048 29.163 1.00 0.00 C ATOM 16 CD PRO A 2 32.262 2.913 28.867 1.00 0.00 C ATOM 0 HA PRO A 2 33.001 1.308 31.475 1.00 0.00 H new ATOM 0 HB2 PRO A 2 33.743 4.212 30.960 1.00 0.00 H new ATOM 0 HB3 PRO A 2 34.807 2.820 31.000 1.00 0.00 H new ATOM 0 HG2 PRO A 2 34.150 3.922 28.665 1.00 0.00 H new ATOM 0 HG3 PRO A 2 34.282 2.180 28.803 1.00 0.00 H new ATOM 0 HD2 PRO A 2 31.803 3.880 28.658 1.00 0.00 H new ATOM 0 HD3 PRO A 2 32.084 2.281 27.997 1.00 0.00 H new ATOM 24 N GLY A 3 31.883 2.093 33.466 1.00 0.00 N ATOM 25 CA GLY A 3 31.346 2.575 34.725 1.00 0.00 C ATOM 26 C GLY A 3 30.668 1.479 35.523 1.00 0.00 C ATOM 27 O GLY A 3 31.203 1.013 36.530 1.00 0.00 O ATOM 0 H GLY A 3 32.042 1.086 33.425 1.00 0.00 H new ATOM 0 HA2 GLY A 3 32.152 3.007 35.319 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.630 3.374 34.529 1.00 0.00 H new ATOM 31 N SER A 4 29.487 1.067 35.076 1.00 0.00 N ATOM 32 CA SER A 4 28.734 0.019 35.756 1.00 0.00 C ATOM 33 C SER A 4 29.459 -1.320 35.662 1.00 0.00 C ATOM 34 O SER A 4 30.491 -1.433 34.999 1.00 0.00 O ATOM 35 CB SER A 4 27.333 -0.103 35.154 1.00 0.00 C ATOM 36 OG SER A 4 27.379 -0.048 33.739 1.00 0.00 O ATOM 0 H SER A 4 29.030 1.443 34.245 1.00 0.00 H new ATOM 0 HA SER A 4 28.648 0.292 36.808 1.00 0.00 H new ATOM 0 HB2 SER A 4 26.879 -1.042 35.470 1.00 0.00 H new ATOM 0 HB3 SER A 4 26.700 0.700 35.532 1.00 0.00 H new ATOM 0 HG SER A 4 26.471 -0.130 33.379 1.00 0.00 H new ATOM 42 N LEU A 5 28.913 -2.331 36.330 1.00 0.00 N ATOM 43 CA LEU A 5 29.509 -3.662 36.321 1.00 0.00 C ATOM 44 C LEU A 5 29.208 -4.382 35.010 1.00 0.00 C ATOM 45 O LEU A 5 28.105 -4.892 34.809 1.00 0.00 O ATOM 46 CB LEU A 5 28.989 -4.482 37.505 1.00 0.00 C ATOM 47 CG LEU A 5 30.055 -4.904 38.518 1.00 0.00 C ATOM 48 CD1 LEU A 5 30.199 -3.854 39.607 1.00 0.00 C ATOM 49 CD2 LEU A 5 29.712 -6.257 39.121 1.00 0.00 C ATOM 0 H LEU A 5 28.060 -2.254 36.884 1.00 0.00 H new ATOM 0 HA LEU A 5 30.590 -3.554 36.412 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.227 -3.900 38.023 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.500 -5.377 37.121 1.00 0.00 H new ATOM 0 HG LEU A 5 31.009 -4.993 37.998 1.00 0.00 H new ATOM 0 HD11 LEU A 5 30.961 -4.170 40.319 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.492 -2.904 39.160 1.00 0.00 H new ATOM 0 HD13 LEU A 5 29.247 -3.733 40.124 1.00 0.00 H new ATOM 0 HD21 LEU A 5 30.481 -6.541 39.839 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.748 -6.196 39.627 1.00 0.00 H new ATOM 0 HD23 LEU A 5 29.660 -7.005 38.330 1.00 0.00 H new ATOM 61 N SER A 6 30.195 -4.421 34.122 1.00 0.00 N ATOM 62 CA SER A 6 30.037 -5.079 32.830 1.00 0.00 C ATOM 63 C SER A 6 30.538 -6.518 32.886 1.00 0.00 C ATOM 64 O SER A 6 31.655 -6.779 33.332 1.00 0.00 O ATOM 65 CB SER A 6 30.788 -4.307 31.745 1.00 0.00 C ATOM 66 OG SER A 6 30.986 -2.956 32.123 1.00 0.00 O ATOM 0 H SER A 6 31.114 -4.004 34.273 1.00 0.00 H new ATOM 0 HA SER A 6 28.975 -5.093 32.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.752 -4.781 31.559 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.227 -4.348 30.811 1.00 0.00 H new ATOM 0 HG SER A 6 31.470 -2.485 31.413 1.00 0.00 H new ATOM 72 N ASN A 7 29.705 -7.448 32.431 1.00 0.00 N ATOM 73 CA ASN A 7 30.063 -8.860 32.428 1.00 0.00 C ATOM 74 C ASN A 7 29.693 -9.515 31.101 1.00 0.00 C ATOM 75 O ASN A 7 28.873 -8.992 30.348 1.00 0.00 O ATOM 76 CB ASN A 7 29.366 -9.588 33.581 1.00 0.00 C ATOM 77 CG ASN A 7 30.202 -9.604 34.845 1.00 0.00 C ATOM 78 OD1 ASN A 7 31.431 -9.561 34.791 1.00 0.00 O ATOM 79 ND2 ASN A 7 29.537 -9.666 35.993 1.00 0.00 N ATOM 0 H ASN A 7 28.776 -7.248 32.059 1.00 0.00 H new ATOM 0 HA ASN A 7 31.143 -8.934 32.560 1.00 0.00 H new ATOM 0 HB2 ASN A 7 28.411 -9.105 33.787 1.00 0.00 H new ATOM 0 HB3 ASN A 7 29.147 -10.613 33.281 1.00 0.00 H new ATOM 0 HD21 ASN A 7 30.046 -9.680 36.877 1.00 0.00 H new ATOM 0 HD22 ASN A 7 28.518 -9.700 35.991 1.00 0.00 H new ATOM 86 N PHE A 8 30.305 -10.662 30.822 1.00 0.00 N ATOM 87 CA PHE A 8 30.037 -11.387 29.586 1.00 0.00 C ATOM 88 C PHE A 8 29.060 -12.533 29.827 1.00 0.00 C ATOM 89 O PHE A 8 29.235 -13.326 30.750 1.00 0.00 O ATOM 90 CB PHE A 8 31.341 -11.930 28.997 1.00 0.00 C ATOM 91 CG PHE A 8 32.162 -10.888 28.293 1.00 0.00 C ATOM 92 CD1 PHE A 8 31.671 -10.242 27.169 1.00 0.00 C ATOM 93 CD2 PHE A 8 33.427 -10.554 28.753 1.00 0.00 C ATOM 94 CE1 PHE A 8 32.423 -9.283 26.518 1.00 0.00 C ATOM 95 CE2 PHE A 8 34.184 -9.597 28.106 1.00 0.00 C ATOM 96 CZ PHE A 8 33.682 -8.960 26.988 1.00 0.00 C ATOM 0 H PHE A 8 30.988 -11.108 31.434 1.00 0.00 H new ATOM 0 HA PHE A 8 29.586 -10.692 28.877 1.00 0.00 H new ATOM 0 HB2 PHE A 8 31.936 -12.370 29.797 1.00 0.00 H new ATOM 0 HB3 PHE A 8 31.107 -12.731 28.296 1.00 0.00 H new ATOM 0 HD1 PHE A 8 30.688 -10.492 26.797 1.00 0.00 H new ATOM 0 HD2 PHE A 8 33.825 -11.048 29.627 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.028 -8.787 25.644 1.00 0.00 H new ATOM 0 HE2 PHE A 8 35.168 -9.347 28.474 1.00 0.00 H new ATOM 0 HZ PHE A 8 34.272 -8.211 26.482 1.00 0.00 H new ATOM 106 N ALA A 9 28.030 -12.611 28.989 1.00 0.00 N ATOM 107 CA ALA A 9 27.026 -13.659 29.112 1.00 0.00 C ATOM 108 C ALA A 9 26.044 -13.620 27.946 1.00 0.00 C ATOM 109 O ALA A 9 25.491 -12.569 27.622 1.00 0.00 O ATOM 110 CB ALA A 9 26.283 -13.527 30.434 1.00 0.00 C ATOM 0 H ALA A 9 27.870 -11.961 28.219 1.00 0.00 H new ATOM 0 HA ALA A 9 27.538 -14.621 29.090 1.00 0.00 H new ATOM 0 HB1 ALA A 9 25.536 -14.317 30.512 1.00 0.00 H new ATOM 0 HB2 ALA A 9 26.990 -13.614 31.259 1.00 0.00 H new ATOM 0 HB3 ALA A 9 25.790 -12.556 30.479 1.00 0.00 H new ATOM 116 N ASN A 10 25.833 -14.771 27.317 1.00 0.00 N ATOM 117 CA ASN A 10 24.918 -14.869 26.186 1.00 0.00 C ATOM 118 C ASN A 10 24.075 -16.137 26.275 1.00 0.00 C ATOM 119 O ASN A 10 24.448 -17.180 25.739 1.00 0.00 O ATOM 120 CB ASN A 10 25.696 -14.852 24.870 1.00 0.00 C ATOM 121 CG ASN A 10 26.795 -15.897 24.834 1.00 0.00 C ATOM 122 OD1 ASN A 10 27.776 -15.808 25.572 1.00 0.00 O ATOM 123 ND2 ASN A 10 26.634 -16.893 23.972 1.00 0.00 N ATOM 0 H ASN A 10 26.284 -15.650 27.572 1.00 0.00 H new ATOM 0 HA ASN A 10 24.250 -14.008 26.217 1.00 0.00 H new ATOM 0 HB2 ASN A 10 25.008 -15.024 24.042 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.133 -13.864 24.722 1.00 0.00 H new ATOM 0 HD21 ASN A 10 27.340 -17.626 23.902 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.804 -16.926 23.380 1.00 0.00 H new ATOM 130 N VAL A 11 22.939 -16.040 26.957 1.00 0.00 N ATOM 131 CA VAL A 11 22.043 -17.179 27.117 1.00 0.00 C ATOM 132 C VAL A 11 20.806 -17.032 26.239 1.00 0.00 C ATOM 133 O VAL A 11 20.464 -15.930 25.809 1.00 0.00 O ATOM 134 CB VAL A 11 21.600 -17.344 28.584 1.00 0.00 C ATOM 135 CG1 VAL A 11 22.787 -17.721 29.460 1.00 0.00 C ATOM 136 CG2 VAL A 11 20.938 -16.072 29.089 1.00 0.00 C ATOM 0 H VAL A 11 22.617 -15.184 27.408 1.00 0.00 H new ATOM 0 HA VAL A 11 22.600 -18.065 26.811 1.00 0.00 H new ATOM 0 HB VAL A 11 20.868 -18.150 28.635 1.00 0.00 H new ATOM 0 HG11 VAL A 11 22.456 -17.833 30.492 1.00 0.00 H new ATOM 0 HG12 VAL A 11 23.213 -18.662 29.111 1.00 0.00 H new ATOM 0 HG13 VAL A 11 23.543 -16.938 29.405 1.00 0.00 H new ATOM 0 HG21 VAL A 11 20.632 -16.208 30.126 1.00 0.00 H new ATOM 0 HG22 VAL A 11 21.644 -15.244 29.024 1.00 0.00 H new ATOM 0 HG23 VAL A 11 20.062 -15.851 28.479 1.00 0.00 H new ATOM 146 N GLY A 12 20.136 -18.149 25.976 1.00 0.00 N ATOM 147 CA GLY A 12 18.944 -18.122 25.149 1.00 0.00 C ATOM 148 C GLY A 12 17.674 -18.320 25.954 1.00 0.00 C ATOM 149 O GLY A 12 17.721 -18.462 27.176 1.00 0.00 O ATOM 0 H GLY A 12 20.397 -19.073 26.321 1.00 0.00 H new ATOM 0 HA2 GLY A 12 18.892 -17.169 24.623 1.00 0.00 H new ATOM 0 HA3 GLY A 12 19.014 -18.901 24.390 1.00 0.00 H new ATOM 153 N VAL A 13 16.537 -18.331 25.267 1.00 0.00 N ATOM 154 CA VAL A 13 15.248 -18.512 25.924 1.00 0.00 C ATOM 155 C VAL A 13 14.335 -19.418 25.104 1.00 0.00 C ATOM 156 O VAL A 13 13.716 -20.340 25.636 1.00 0.00 O ATOM 157 CB VAL A 13 14.539 -17.165 26.156 1.00 0.00 C ATOM 158 CG1 VAL A 13 15.254 -16.363 27.232 1.00 0.00 C ATOM 159 CG2 VAL A 13 14.457 -16.376 24.858 1.00 0.00 C ATOM 0 H VAL A 13 16.482 -18.217 24.255 1.00 0.00 H new ATOM 0 HA VAL A 13 15.449 -18.978 26.888 1.00 0.00 H new ATOM 0 HB VAL A 13 13.524 -17.363 26.499 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.738 -15.414 27.382 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.256 -16.926 28.165 1.00 0.00 H new ATOM 0 HG13 VAL A 13 16.281 -16.172 26.921 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.953 -15.427 25.040 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.463 -16.187 24.483 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.896 -16.948 24.119 1.00 0.00 H new ATOM 169 N GLY A 14 14.257 -19.151 23.804 1.00 0.00 N ATOM 170 CA GLY A 14 13.418 -19.950 22.931 1.00 0.00 C ATOM 171 C GLY A 14 12.208 -19.187 22.432 1.00 0.00 C ATOM 172 O GLY A 14 12.145 -18.806 21.264 1.00 0.00 O ATOM 0 H GLY A 14 14.760 -18.395 23.340 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.006 -20.290 22.079 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.087 -20.840 23.465 1.00 0.00 H new ATOM 176 N THR A 15 11.242 -18.964 23.321 1.00 0.00 N ATOM 177 CA THR A 15 10.024 -18.241 22.970 1.00 0.00 C ATOM 178 C THR A 15 9.162 -19.056 22.012 1.00 0.00 C ATOM 179 O THR A 15 8.075 -19.509 22.371 1.00 0.00 O ATOM 180 CB THR A 15 10.364 -16.886 22.343 1.00 0.00 C ATOM 181 OG1 THR A 15 11.358 -16.218 23.102 1.00 0.00 O ATOM 182 CG2 THR A 15 9.172 -15.961 22.232 1.00 0.00 C ATOM 0 H THR A 15 11.281 -19.275 24.292 1.00 0.00 H new ATOM 0 HA THR A 15 9.459 -18.074 23.887 1.00 0.00 H new ATOM 0 HB THR A 15 10.720 -17.114 21.338 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.563 -15.355 22.685 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.483 -15.019 21.780 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.407 -16.427 21.611 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.766 -15.770 23.225 1.00 0.00 H new ATOM 190 N SER A 16 9.654 -19.241 20.789 1.00 0.00 N ATOM 191 CA SER A 16 8.932 -20.004 19.775 1.00 0.00 C ATOM 192 C SER A 16 7.675 -19.263 19.325 1.00 0.00 C ATOM 193 O SER A 16 7.591 -18.796 18.190 1.00 0.00 O ATOM 194 CB SER A 16 8.558 -21.390 20.309 1.00 0.00 C ATOM 195 OG SER A 16 9.673 -22.021 20.912 1.00 0.00 O ATOM 0 H SER A 16 10.552 -18.872 20.476 1.00 0.00 H new ATOM 0 HA SER A 16 9.591 -20.122 18.915 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.751 -21.298 21.036 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.183 -22.008 19.494 1.00 0.00 H new ATOM 0 HG SER A 16 9.408 -22.903 21.246 1.00 0.00 H new ATOM 201 N SER A 17 6.701 -19.159 20.223 1.00 0.00 N ATOM 202 CA SER A 17 5.448 -18.476 19.917 1.00 0.00 C ATOM 203 C SER A 17 4.722 -19.163 18.767 1.00 0.00 C ATOM 204 O SER A 17 5.304 -19.975 18.046 1.00 0.00 O ATOM 205 CB SER A 17 5.716 -17.012 19.564 1.00 0.00 C ATOM 206 OG SER A 17 5.639 -16.187 20.714 1.00 0.00 O ATOM 0 H SER A 17 6.755 -19.539 21.168 1.00 0.00 H new ATOM 0 HA SER A 17 4.813 -18.520 20.802 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.703 -16.919 19.111 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.992 -16.675 18.822 1.00 0.00 H new ATOM 0 HG SER A 17 5.816 -15.257 20.462 1.00 0.00 H new ATOM 212 N GLY A 18 3.444 -18.835 18.599 1.00 0.00 N ATOM 213 CA GLY A 18 2.658 -19.431 17.534 1.00 0.00 C ATOM 214 C GLY A 18 2.700 -18.617 16.257 1.00 0.00 C ATOM 215 O GLY A 18 3.026 -17.430 16.279 1.00 0.00 O ATOM 0 H GLY A 18 2.939 -18.167 19.182 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.028 -20.436 17.333 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.624 -19.532 17.863 1.00 0.00 H new ATOM 219 N LYS A 19 2.371 -19.256 15.139 1.00 0.00 N ATOM 220 CA LYS A 19 2.373 -18.585 13.845 1.00 0.00 C ATOM 221 C LYS A 19 0.971 -18.560 13.244 1.00 0.00 C ATOM 222 O LYS A 19 0.477 -19.575 12.752 1.00 0.00 O ATOM 223 CB LYS A 19 3.338 -19.283 12.886 1.00 0.00 C ATOM 224 CG LYS A 19 3.613 -18.491 11.618 1.00 0.00 C ATOM 225 CD LYS A 19 4.878 -18.972 10.925 1.00 0.00 C ATOM 226 CE LYS A 19 5.631 -17.821 10.281 1.00 0.00 C ATOM 227 NZ LYS A 19 6.798 -18.295 9.485 1.00 0.00 N ATOM 0 H LYS A 19 2.099 -20.239 15.104 1.00 0.00 H new ATOM 0 HA LYS A 19 2.703 -17.557 13.997 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.281 -19.467 13.402 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.928 -20.256 12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.766 -18.585 10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.710 -17.433 11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.523 -19.471 11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.620 -19.710 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.955 -17.261 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.974 -17.134 11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.285 -17.479 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.457 -18.807 10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.469 -18.930 8.730 1.00 0.00 H new ATOM 241 N GLN A 20 0.334 -17.394 13.288 1.00 0.00 N ATOM 242 CA GLN A 20 -1.011 -17.237 12.746 1.00 0.00 C ATOM 243 C GLN A 20 -0.963 -16.873 11.265 1.00 0.00 C ATOM 244 O GLN A 20 0.103 -16.595 10.719 1.00 0.00 O ATOM 245 CB GLN A 20 -1.774 -16.162 13.524 1.00 0.00 C ATOM 246 CG GLN A 20 -1.088 -14.806 13.521 1.00 0.00 C ATOM 247 CD GLN A 20 -0.665 -14.361 14.908 1.00 0.00 C ATOM 248 OE1 GLN A 20 0.505 -14.469 15.277 1.00 0.00 O ATOM 249 NE2 GLN A 20 -1.619 -13.860 15.684 1.00 0.00 N ATOM 0 H GLN A 20 0.727 -16.545 13.693 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.531 -18.189 12.850 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.772 -16.056 13.098 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.901 -16.493 14.555 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.212 -14.848 12.874 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.763 -14.063 13.095 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.575 -13.790 15.336 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.396 -13.546 16.628 1.00 0.00 H new ATOM 258 N LYS A 21 -2.127 -16.877 10.623 1.00 0.00 N ATOM 259 CA LYS A 21 -2.218 -16.548 9.205 1.00 0.00 C ATOM 260 C LYS A 21 -3.135 -15.349 8.982 1.00 0.00 C ATOM 261 O LYS A 21 -3.786 -15.238 7.943 1.00 0.00 O ATOM 262 CB LYS A 21 -2.731 -17.751 8.413 1.00 0.00 C ATOM 263 CG LYS A 21 -4.133 -18.188 8.806 1.00 0.00 C ATOM 264 CD LYS A 21 -4.832 -18.907 7.665 1.00 0.00 C ATOM 265 CE LYS A 21 -6.263 -19.272 8.031 1.00 0.00 C ATOM 266 NZ LYS A 21 -6.676 -20.570 7.431 1.00 0.00 N ATOM 0 H LYS A 21 -3.019 -17.104 11.062 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.219 -16.289 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.720 -17.507 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.046 -18.587 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.081 -18.845 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.718 -17.317 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.832 -18.272 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.279 -19.811 7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.357 -19.327 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.936 -18.485 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.657 -20.782 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.611 -20.510 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.050 -21.326 7.774 1.00 0.00 H new ATOM 280 N ARG A 22 -3.178 -14.454 9.964 1.00 0.00 N ATOM 281 CA ARG A 22 -4.014 -13.262 9.876 1.00 0.00 C ATOM 282 C ARG A 22 -3.321 -12.064 10.515 1.00 0.00 C ATOM 283 O ARG A 22 -3.519 -11.777 11.696 1.00 0.00 O ATOM 284 CB ARG A 22 -5.366 -13.509 10.552 1.00 0.00 C ATOM 285 CG ARG A 22 -6.551 -13.007 9.746 1.00 0.00 C ATOM 286 CD ARG A 22 -6.851 -13.922 8.568 1.00 0.00 C ATOM 287 NE ARG A 22 -8.103 -13.566 7.903 1.00 0.00 N ATOM 288 CZ ARG A 22 -8.643 -14.274 6.914 1.00 0.00 C ATOM 289 NH1 ARG A 22 -8.046 -15.375 6.473 1.00 0.00 N ATOM 290 NH2 ARG A 22 -9.783 -13.880 6.364 1.00 0.00 N ATOM 0 H ARG A 22 -2.644 -14.532 10.830 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.180 -13.041 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.484 -14.578 10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.369 -13.023 11.528 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.428 -12.941 10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.345 -12.000 9.383 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.032 -13.870 7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.906 -14.954 8.915 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.591 -12.726 8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.169 -15.682 6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.465 -15.913 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.246 -13.035 6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.198 -14.422 5.606 1.00 0.00 H new ATOM 304 N TYR A 23 -2.507 -11.369 9.728 1.00 0.00 N ATOM 305 CA TYR A 23 -1.782 -10.202 10.220 1.00 0.00 C ATOM 306 C TYR A 23 -1.469 -9.235 9.081 1.00 0.00 C ATOM 307 O TYR A 23 -0.387 -8.649 9.031 1.00 0.00 O ATOM 308 CB TYR A 23 -0.486 -10.637 10.911 1.00 0.00 C ATOM 309 CG TYR A 23 -0.278 -10.001 12.267 1.00 0.00 C ATOM 310 CD1 TYR A 23 -0.573 -8.661 12.481 1.00 0.00 C ATOM 311 CD2 TYR A 23 0.214 -10.744 13.334 1.00 0.00 C ATOM 312 CE1 TYR A 23 -0.384 -8.077 13.719 1.00 0.00 C ATOM 313 CE2 TYR A 23 0.406 -10.167 14.575 1.00 0.00 C ATOM 314 CZ TYR A 23 0.106 -8.835 14.762 1.00 0.00 C ATOM 315 OH TYR A 23 0.295 -8.258 15.997 1.00 0.00 O ATOM 0 H TYR A 23 -2.332 -11.593 8.748 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.416 -9.687 10.942 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.491 -11.721 11.025 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.359 -10.388 10.269 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.957 -8.065 11.666 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.450 -11.788 13.191 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.619 -7.033 13.869 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.789 -10.757 15.394 1.00 0.00 H new ATOM 0 HH TYR A 23 0.644 -8.928 16.621 1.00 0.00 H new ATOM 325 N LYS A 24 -2.423 -9.072 8.171 1.00 0.00 N ATOM 326 CA LYS A 24 -2.245 -8.176 7.034 1.00 0.00 C ATOM 327 C LYS A 24 -3.577 -7.907 6.338 1.00 0.00 C ATOM 328 O LYS A 24 -3.667 -7.943 5.110 1.00 0.00 O ATOM 329 CB LYS A 24 -1.246 -8.770 6.040 1.00 0.00 C ATOM 330 CG LYS A 24 -1.716 -10.073 5.412 1.00 0.00 C ATOM 331 CD LYS A 24 -0.553 -11.014 5.144 1.00 0.00 C ATOM 332 CE LYS A 24 -0.970 -12.177 4.259 1.00 0.00 C ATOM 333 NZ LYS A 24 0.203 -12.935 3.743 1.00 0.00 N ATOM 0 H LYS A 24 -3.325 -9.547 8.198 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.854 -7.230 7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.056 -8.043 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.298 -8.943 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.433 -10.559 6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.236 -9.861 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.258 -10.465 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.167 -11.395 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.616 -12.849 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.557 -11.802 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.126 -13.719 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.807 -12.301 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.749 -13.315 4.542 1.00 0.00 H new ATOM 347 N PHE A 25 -4.610 -7.637 7.130 1.00 0.00 N ATOM 348 CA PHE A 25 -5.935 -7.360 6.589 1.00 0.00 C ATOM 349 C PHE A 25 -5.903 -6.179 5.632 1.00 0.00 C ATOM 350 O PHE A 25 -5.025 -5.321 5.724 1.00 0.00 O ATOM 351 CB PHE A 25 -6.930 -7.086 7.721 1.00 0.00 C ATOM 352 CG PHE A 25 -8.357 -7.015 7.261 1.00 0.00 C ATOM 353 CD1 PHE A 25 -8.898 -5.813 6.825 1.00 0.00 C ATOM 354 CD2 PHE A 25 -9.158 -8.145 7.261 1.00 0.00 C ATOM 355 CE1 PHE A 25 -10.210 -5.744 6.401 1.00 0.00 C ATOM 356 CE2 PHE A 25 -10.472 -8.080 6.839 1.00 0.00 C ATOM 357 CZ PHE A 25 -10.999 -6.878 6.408 1.00 0.00 C ATOM 0 H PHE A 25 -4.555 -7.604 8.148 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.258 -8.242 6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.838 -7.870 8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.666 -6.146 8.206 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.286 -4.923 6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.751 -9.088 7.595 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.620 -4.803 6.064 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.087 -8.968 6.846 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.026 -6.825 6.077 1.00 0.00 H new ATOM 367 N SER A 26 -6.871 -6.131 4.719 1.00 0.00 N ATOM 368 CA SER A 26 -6.958 -5.038 3.756 1.00 0.00 C ATOM 369 C SER A 26 -7.421 -3.771 4.464 1.00 0.00 C ATOM 370 O SER A 26 -8.396 -3.134 4.063 1.00 0.00 O ATOM 371 CB SER A 26 -7.925 -5.395 2.626 1.00 0.00 C ATOM 372 OG SER A 26 -9.223 -5.657 3.126 1.00 0.00 O ATOM 0 H SER A 26 -7.604 -6.835 4.627 1.00 0.00 H new ATOM 0 HA SER A 26 -5.973 -4.869 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.968 -4.576 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.555 -6.269 2.090 1.00 0.00 H new ATOM 0 HG SER A 26 -9.207 -5.634 4.106 1.00 0.00 H new ATOM 378 N ALA A 27 -6.712 -3.430 5.535 1.00 0.00 N ATOM 379 CA ALA A 27 -7.015 -2.266 6.350 1.00 0.00 C ATOM 380 C ALA A 27 -6.281 -2.354 7.686 1.00 0.00 C ATOM 381 O ALA A 27 -6.024 -1.336 8.328 1.00 0.00 O ATOM 382 CB ALA A 27 -8.515 -2.149 6.579 1.00 0.00 C ATOM 0 H ALA A 27 -5.904 -3.960 5.862 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.677 -1.375 5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.722 -1.271 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.023 -2.050 5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.876 -3.042 7.090 1.00 0.00 H new ATOM 388 N SER A 28 -5.944 -3.581 8.105 1.00 0.00 N ATOM 389 CA SER A 28 -5.239 -3.783 9.369 1.00 0.00 C ATOM 390 C SER A 28 -3.977 -2.930 9.436 1.00 0.00 C ATOM 391 O SER A 28 -3.659 -2.353 10.475 1.00 0.00 O ATOM 392 CB SER A 28 -4.879 -5.258 9.550 1.00 0.00 C ATOM 393 OG SER A 28 -5.885 -5.946 10.273 1.00 0.00 O ATOM 0 H SER A 28 -6.147 -4.438 7.590 1.00 0.00 H new ATOM 0 HA SER A 28 -5.905 -3.477 10.175 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.745 -5.725 8.574 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.928 -5.341 10.076 1.00 0.00 H new ATOM 0 HG SER A 28 -5.630 -6.887 10.373 1.00 0.00 H new ATOM 399 N GLU A 29 -3.259 -2.859 8.320 1.00 0.00 N ATOM 400 CA GLU A 29 -2.028 -2.078 8.254 1.00 0.00 C ATOM 401 C GLU A 29 -2.284 -0.621 8.636 1.00 0.00 C ATOM 402 O GLU A 29 -1.612 -0.069 9.511 1.00 0.00 O ATOM 403 CB GLU A 29 -1.430 -2.149 6.846 1.00 0.00 C ATOM 404 CG GLU A 29 -2.431 -1.861 5.737 1.00 0.00 C ATOM 405 CD GLU A 29 -2.344 -0.433 5.233 1.00 0.00 C ATOM 406 OE1 GLU A 29 -1.722 0.405 5.919 1.00 0.00 O ATOM 407 OE2 GLU A 29 -2.898 -0.153 4.149 1.00 0.00 O ATOM 0 H GLU A 29 -3.507 -3.331 7.451 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.320 -2.502 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.608 -1.437 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.006 -3.141 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.257 -2.547 4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.440 -2.053 6.103 1.00 0.00 H new ATOM 414 N ASP A 30 -3.264 -0.005 7.979 1.00 0.00 N ATOM 415 CA ASP A 30 -3.611 1.386 8.246 1.00 0.00 C ATOM 416 C ASP A 30 -4.030 1.573 9.698 1.00 0.00 C ATOM 417 O ASP A 30 -3.635 2.542 10.348 1.00 0.00 O ATOM 418 CB ASP A 30 -4.739 1.838 7.314 1.00 0.00 C ATOM 419 CG ASP A 30 -4.228 2.665 6.150 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.048 2.503 5.778 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.010 3.476 5.610 1.00 0.00 O ATOM 0 H ASP A 30 -3.832 -0.449 7.257 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.728 1.998 8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.264 0.963 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.464 2.422 7.881 1.00 0.00 H new ATOM 426 N GLU A 31 -4.829 0.641 10.201 1.00 0.00 N ATOM 427 CA GLU A 31 -5.299 0.703 11.580 1.00 0.00 C ATOM 428 C GLU A 31 -4.121 0.714 12.547 1.00 0.00 C ATOM 429 O GLU A 31 -4.178 1.340 13.609 1.00 0.00 O ATOM 430 CB GLU A 31 -6.216 -0.481 11.883 1.00 0.00 C ATOM 431 CG GLU A 31 -7.164 -0.234 13.045 1.00 0.00 C ATOM 432 CD GLU A 31 -7.469 -1.495 13.828 1.00 0.00 C ATOM 433 OE1 GLU A 31 -7.878 -2.497 13.204 1.00 0.00 O ATOM 434 OE2 GLU A 31 -7.297 -1.482 15.065 1.00 0.00 O ATOM 0 H GLU A 31 -5.165 -0.166 9.676 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.863 1.627 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.799 -0.715 10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.605 -1.356 12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.727 0.508 13.714 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.095 0.188 12.666 1.00 0.00 H new ATOM 441 N ALA A 32 -3.053 0.021 12.173 1.00 0.00 N ATOM 442 CA ALA A 32 -1.863 -0.045 13.005 1.00 0.00 C ATOM 443 C ALA A 32 -1.119 1.282 12.998 1.00 0.00 C ATOM 444 O ALA A 32 -0.571 1.702 14.018 1.00 0.00 O ATOM 445 CB ALA A 32 -0.953 -1.171 12.542 1.00 0.00 C ATOM 0 H ALA A 32 -2.988 -0.502 11.300 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.175 -0.250 14.029 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.067 -1.206 13.176 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.485 -2.120 12.609 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.654 -0.995 11.509 1.00 0.00 H new ATOM 451 N ILE A 33 -1.105 1.945 11.847 1.00 0.00 N ATOM 452 CA ILE A 33 -0.422 3.230 11.733 1.00 0.00 C ATOM 453 C ILE A 33 -1.160 4.310 12.513 1.00 0.00 C ATOM 454 O ILE A 33 -0.537 5.161 13.146 1.00 0.00 O ATOM 455 CB ILE A 33 -0.262 3.702 10.273 1.00 0.00 C ATOM 456 CG1 ILE A 33 -0.073 2.512 9.324 1.00 0.00 C ATOM 457 CG2 ILE A 33 0.916 4.661 10.171 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.239 2.914 7.898 1.00 0.00 C ATOM 0 H ILE A 33 -1.552 1.620 10.990 1.00 0.00 H new ATOM 0 HA ILE A 33 0.573 3.072 12.150 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.173 4.221 9.974 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.734 1.884 9.700 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.979 1.906 9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.027 4.993 9.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.739 5.524 10.813 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.827 4.154 10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.359 2.020 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.578 3.517 7.503 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.161 3.495 7.877 1.00 0.00 H new ATOM 470 N ILE A 34 -2.489 4.275 12.468 1.00 0.00 N ATOM 471 CA ILE A 34 -3.293 5.261 13.179 1.00 0.00 C ATOM 472 C ILE A 34 -3.134 5.108 14.685 1.00 0.00 C ATOM 473 O ILE A 34 -3.026 6.100 15.409 1.00 0.00 O ATOM 474 CB ILE A 34 -4.787 5.168 12.812 1.00 0.00 C ATOM 475 CG1 ILE A 34 -5.313 3.754 13.048 1.00 0.00 C ATOM 476 CG2 ILE A 34 -5.005 5.584 11.365 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.803 3.619 12.817 1.00 0.00 C ATOM 0 H ILE A 34 -3.027 3.580 11.951 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.927 6.240 12.871 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.342 5.850 13.456 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.787 3.064 12.388 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.083 3.455 14.071 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.065 5.513 11.122 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.669 6.612 11.227 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.437 4.926 10.708 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.108 2.589 13.003 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.338 4.284 13.495 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.037 3.887 11.787 1.00 0.00 H new ATOM 489 N LYS A 35 -3.105 3.867 15.154 1.00 0.00 N ATOM 490 CA LYS A 35 -2.942 3.606 16.578 1.00 0.00 C ATOM 491 C LYS A 35 -1.514 3.913 17.006 1.00 0.00 C ATOM 492 O LYS A 35 -1.272 4.420 18.102 1.00 0.00 O ATOM 493 CB LYS A 35 -3.289 2.152 16.905 1.00 0.00 C ATOM 494 CG LYS A 35 -2.345 1.145 16.269 1.00 0.00 C ATOM 495 CD LYS A 35 -2.686 -0.280 16.683 1.00 0.00 C ATOM 496 CE LYS A 35 -1.668 -0.839 17.665 1.00 0.00 C ATOM 497 NZ LYS A 35 -0.858 -1.933 17.063 1.00 0.00 N ATOM 0 H LYS A 35 -3.191 3.032 14.575 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.625 4.254 17.127 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.275 2.018 17.987 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.306 1.946 16.571 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.397 1.232 15.184 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.319 1.373 16.559 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.677 -0.300 17.136 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.726 -0.916 15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.007 -0.039 17.997 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.184 -1.214 18.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.176 -2.287 17.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.486 -2.708 16.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.345 -1.570 16.235 1.00 0.00 H new ATOM 511 N GLY A 36 -0.570 3.611 16.122 1.00 0.00 N ATOM 512 CA GLY A 36 0.825 3.867 16.409 1.00 0.00 C ATOM 513 C GLY A 36 1.143 5.348 16.418 1.00 0.00 C ATOM 514 O GLY A 36 1.868 5.830 17.285 1.00 0.00 O ATOM 0 H GLY A 36 -0.749 3.192 15.209 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.080 3.436 17.377 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.445 3.368 15.664 1.00 0.00 H new ATOM 518 N LEU A 37 0.589 6.073 15.450 1.00 0.00 N ATOM 519 CA LEU A 37 0.811 7.510 15.350 1.00 0.00 C ATOM 520 C LEU A 37 0.142 8.241 16.510 1.00 0.00 C ATOM 521 O LEU A 37 0.625 9.278 16.965 1.00 0.00 O ATOM 522 CB LEU A 37 0.273 8.039 14.017 1.00 0.00 C ATOM 523 CG LEU A 37 1.339 8.318 12.952 1.00 0.00 C ATOM 524 CD1 LEU A 37 1.028 7.564 11.666 1.00 0.00 C ATOM 525 CD2 LEU A 37 1.445 9.811 12.682 1.00 0.00 C ATOM 0 H LEU A 37 -0.016 5.688 14.725 1.00 0.00 H new ATOM 0 HA LEU A 37 1.884 7.694 15.397 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.438 7.316 13.617 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.280 8.959 14.205 1.00 0.00 H new ATOM 0 HG LEU A 37 2.299 7.966 13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.798 7.777 10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.005 6.493 11.868 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.058 7.881 11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.207 9.990 11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.485 10.186 12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.720 10.328 13.601 1.00 0.00 H new ATOM 537 N ALA A 38 -0.974 7.694 16.984 1.00 0.00 N ATOM 538 CA ALA A 38 -1.708 8.296 18.090 1.00 0.00 C ATOM 539 C ALA A 38 -0.973 8.106 19.414 1.00 0.00 C ATOM 540 O ALA A 38 -1.178 8.867 20.360 1.00 0.00 O ATOM 541 CB ALA A 38 -3.108 7.708 18.173 1.00 0.00 C ATOM 0 H ALA A 38 -1.388 6.836 16.619 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.783 9.367 17.901 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.646 8.166 19.003 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.641 7.904 17.243 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.042 6.632 18.333 1.00 0.00 H new ATOM 547 N ARG A 39 -0.124 7.085 19.483 1.00 0.00 N ATOM 548 CA ARG A 39 0.628 6.802 20.703 1.00 0.00 C ATOM 549 C ARG A 39 2.098 7.195 20.562 1.00 0.00 C ATOM 550 O ARG A 39 2.772 7.462 21.556 1.00 0.00 O ATOM 551 CB ARG A 39 0.513 5.319 21.063 1.00 0.00 C ATOM 552 CG ARG A 39 0.030 5.077 22.484 1.00 0.00 C ATOM 553 CD ARG A 39 -0.969 3.932 22.548 1.00 0.00 C ATOM 554 NE ARG A 39 -0.339 2.676 22.953 1.00 0.00 N ATOM 555 CZ ARG A 39 -0.878 1.477 22.749 1.00 0.00 C ATOM 556 NH1 ARG A 39 -2.056 1.365 22.147 1.00 0.00 N ATOM 557 NH2 ARG A 39 -0.236 0.386 23.149 1.00 0.00 N ATOM 0 H ARG A 39 0.061 6.442 18.713 1.00 0.00 H new ATOM 0 HA ARG A 39 0.197 7.402 21.505 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.173 4.836 20.367 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.486 4.845 20.932 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.882 4.853 23.126 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.431 5.985 22.872 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.763 4.183 23.252 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.437 3.804 21.572 1.00 0.00 H new ATOM 0 HE ARG A 39 0.567 2.722 23.419 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.552 2.201 21.838 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.465 0.443 21.993 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.669 0.468 23.612 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.648 -0.534 22.993 1.00 0.00 H new ATOM 571 N PHE A 40 2.591 7.222 19.329 1.00 0.00 N ATOM 572 CA PHE A 40 3.985 7.575 19.076 1.00 0.00 C ATOM 573 C PHE A 40 4.093 8.894 18.317 1.00 0.00 C ATOM 574 O PHE A 40 3.516 9.051 17.241 1.00 0.00 O ATOM 575 CB PHE A 40 4.676 6.465 18.289 1.00 0.00 C ATOM 576 CG PHE A 40 4.961 5.238 19.107 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.054 5.197 19.959 1.00 0.00 C ATOM 578 CD2 PHE A 40 4.136 4.129 19.026 1.00 0.00 C ATOM 579 CE1 PHE A 40 6.317 4.071 20.715 1.00 0.00 C ATOM 580 CE2 PHE A 40 4.395 2.999 19.780 1.00 0.00 C ATOM 581 CZ PHE A 40 5.486 2.970 20.625 1.00 0.00 C ATOM 0 H PHE A 40 2.050 7.005 18.492 1.00 0.00 H new ATOM 0 HA PHE A 40 4.480 7.695 20.040 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.050 6.189 17.440 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.613 6.847 17.883 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.707 6.054 20.032 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.281 4.147 18.367 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.171 4.051 21.376 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.744 2.140 19.708 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.690 2.089 21.215 1.00 0.00 H new ATOM 591 N THR A 41 4.839 9.836 18.886 1.00 0.00 N ATOM 592 CA THR A 41 5.030 11.142 18.267 1.00 0.00 C ATOM 593 C THR A 41 6.325 11.789 18.750 1.00 0.00 C ATOM 594 O THR A 41 6.317 12.592 19.682 1.00 0.00 O ATOM 595 CB THR A 41 3.845 12.057 18.577 1.00 0.00 C ATOM 596 OG1 THR A 41 3.251 11.706 19.814 1.00 0.00 O ATOM 597 CG2 THR A 41 2.763 12.015 17.520 1.00 0.00 C ATOM 0 H THR A 41 5.322 9.718 19.777 1.00 0.00 H new ATOM 0 HA THR A 41 5.096 10.997 17.189 1.00 0.00 H new ATOM 0 HB THR A 41 4.259 13.065 18.609 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.496 12.304 19.996 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.952 12.687 17.802 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.178 12.329 16.562 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.378 10.999 17.433 1.00 0.00 H new ATOM 605 N LYS A 42 7.434 11.431 18.112 1.00 0.00 N ATOM 606 CA LYS A 42 8.735 11.978 18.480 1.00 0.00 C ATOM 607 C LYS A 42 8.884 13.416 17.989 1.00 0.00 C ATOM 608 O LYS A 42 9.538 14.234 18.634 1.00 0.00 O ATOM 609 CB LYS A 42 9.857 11.111 17.908 1.00 0.00 C ATOM 610 CG LYS A 42 9.710 10.826 16.422 1.00 0.00 C ATOM 611 CD LYS A 42 10.998 11.113 15.668 1.00 0.00 C ATOM 612 CE LYS A 42 11.123 12.588 15.322 1.00 0.00 C ATOM 613 NZ LYS A 42 11.872 13.342 16.365 1.00 0.00 N ATOM 0 H LYS A 42 7.458 10.766 17.339 1.00 0.00 H new ATOM 0 HA LYS A 42 8.805 11.978 19.568 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.812 11.607 18.081 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.886 10.165 18.449 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.427 9.783 16.277 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.904 11.435 16.012 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.851 10.806 16.273 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.026 10.520 14.754 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.630 12.694 14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.129 13.019 15.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.219 13.971 16.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.302 12.673 17.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.618 13.909 15.915 1.00 0.00 H new ATOM 627 N GLY A 43 8.274 13.716 16.847 1.00 0.00 N ATOM 628 CA GLY A 43 8.355 15.057 16.298 1.00 0.00 C ATOM 629 C GLY A 43 8.460 15.067 14.784 1.00 0.00 C ATOM 630 O GLY A 43 9.560 15.113 14.233 1.00 0.00 O ATOM 0 H GLY A 43 7.727 13.057 16.293 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.473 15.622 16.600 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.221 15.566 16.721 1.00 0.00 H new ATOM 634 N GLN A 44 7.313 15.029 14.111 1.00 0.00 N ATOM 635 CA GLN A 44 7.277 15.039 12.651 1.00 0.00 C ATOM 636 C GLN A 44 8.111 13.899 12.070 1.00 0.00 C ATOM 637 O GLN A 44 8.972 14.117 11.217 1.00 0.00 O ATOM 638 CB GLN A 44 7.783 16.382 12.119 1.00 0.00 C ATOM 639 CG GLN A 44 7.013 16.882 10.906 1.00 0.00 C ATOM 640 CD GLN A 44 7.475 18.250 10.446 1.00 0.00 C ATOM 641 OE1 GLN A 44 6.920 19.274 10.848 1.00 0.00 O ATOM 642 NE2 GLN A 44 8.495 18.277 9.597 1.00 0.00 N ATOM 0 H GLN A 44 6.395 14.991 14.554 1.00 0.00 H new ATOM 0 HA GLN A 44 6.242 14.896 12.339 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.718 17.126 12.913 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.837 16.286 11.857 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.128 16.170 10.089 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.951 16.923 11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.926 17.405 9.289 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.848 19.170 9.252 1.00 0.00 H new ATOM 651 N GLN A 45 7.848 12.684 12.536 1.00 0.00 N ATOM 652 CA GLN A 45 8.571 11.511 12.061 1.00 0.00 C ATOM 653 C GLN A 45 8.022 10.239 12.700 1.00 0.00 C ATOM 654 O GLN A 45 8.772 9.321 13.029 1.00 0.00 O ATOM 655 CB GLN A 45 10.067 11.651 12.360 1.00 0.00 C ATOM 656 CG GLN A 45 10.921 11.823 11.113 1.00 0.00 C ATOM 657 CD GLN A 45 10.887 10.603 10.212 1.00 0.00 C ATOM 658 OE1 GLN A 45 9.986 9.771 10.308 1.00 0.00 O ATOM 659 NE2 GLN A 45 11.872 10.493 9.329 1.00 0.00 N ATOM 0 H GLN A 45 7.139 12.485 13.242 1.00 0.00 H new ATOM 0 HA GLN A 45 8.433 11.439 10.982 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.220 12.508 13.016 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.405 10.769 12.904 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.573 12.692 10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.951 12.025 11.407 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.599 11.207 9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.902 9.694 8.695 1.00 0.00 H new ATOM 668 N ARG A 46 6.705 10.195 12.875 1.00 0.00 N ATOM 669 CA ARG A 46 6.051 9.038 13.478 1.00 0.00 C ATOM 670 C ARG A 46 5.697 7.996 12.419 1.00 0.00 C ATOM 671 O ARG A 46 5.629 6.804 12.708 1.00 0.00 O ATOM 672 CB ARG A 46 4.781 9.458 14.235 1.00 0.00 C ATOM 673 CG ARG A 46 4.693 10.948 14.534 1.00 0.00 C ATOM 674 CD ARG A 46 3.948 11.694 13.437 1.00 0.00 C ATOM 675 NE ARG A 46 4.285 13.115 13.413 1.00 0.00 N ATOM 676 CZ ARG A 46 3.591 14.058 14.052 1.00 0.00 C ATOM 677 NH1 ARG A 46 2.519 13.740 14.765 1.00 0.00 N ATOM 678 NH2 ARG A 46 3.975 15.326 13.978 1.00 0.00 N ATOM 0 H ARG A 46 6.069 10.947 12.608 1.00 0.00 H new ATOM 0 HA ARG A 46 6.753 8.596 14.185 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.910 9.165 13.649 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.734 8.907 15.175 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.186 11.100 15.487 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.697 11.359 14.638 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.186 11.249 12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.874 11.579 13.586 1.00 0.00 H new ATOM 0 HE ARG A 46 5.101 13.404 12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.219 12.767 14.828 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.995 14.468 15.250 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.800 15.578 13.433 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.446 16.049 14.466 1.00 0.00 H new ATOM 692 N PHE A 47 5.461 8.457 11.195 1.00 0.00 N ATOM 693 CA PHE A 47 5.100 7.570 10.093 1.00 0.00 C ATOM 694 C PHE A 47 6.172 6.508 9.845 1.00 0.00 C ATOM 695 O PHE A 47 5.865 5.327 9.686 1.00 0.00 O ATOM 696 CB PHE A 47 4.870 8.385 8.819 1.00 0.00 C ATOM 697 CG PHE A 47 3.976 9.575 9.024 1.00 0.00 C ATOM 698 CD1 PHE A 47 2.661 9.411 9.427 1.00 0.00 C ATOM 699 CD2 PHE A 47 4.455 10.859 8.815 1.00 0.00 C ATOM 700 CE1 PHE A 47 1.839 10.505 9.617 1.00 0.00 C ATOM 701 CE2 PHE A 47 3.637 11.957 9.003 1.00 0.00 C ATOM 702 CZ PHE A 47 2.327 11.780 9.405 1.00 0.00 C ATOM 0 H PHE A 47 5.513 9.443 10.940 1.00 0.00 H new ATOM 0 HA PHE A 47 4.180 7.056 10.370 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.832 8.725 8.435 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.433 7.739 8.057 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.274 8.417 9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.479 11.003 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.815 10.364 9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.021 12.952 8.836 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.686 12.636 9.553 1.00 0.00 H new ATOM 712 N GLN A 48 7.430 6.933 9.802 1.00 0.00 N ATOM 713 CA GLN A 48 8.535 6.008 9.564 1.00 0.00 C ATOM 714 C GLN A 48 8.754 5.089 10.764 1.00 0.00 C ATOM 715 O GLN A 48 8.762 3.864 10.631 1.00 0.00 O ATOM 716 CB GLN A 48 9.820 6.781 9.261 1.00 0.00 C ATOM 717 CG GLN A 48 9.719 7.677 8.039 1.00 0.00 C ATOM 718 CD GLN A 48 11.004 7.711 7.234 1.00 0.00 C ATOM 719 OE1 GLN A 48 11.884 6.867 7.413 1.00 0.00 O ATOM 720 NE2 GLN A 48 11.119 8.690 6.344 1.00 0.00 N ATOM 0 H GLN A 48 7.710 7.906 9.928 1.00 0.00 H new ATOM 0 HA GLN A 48 8.275 5.392 8.703 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.080 7.390 10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.634 6.072 9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.905 7.328 7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.465 8.689 8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.364 9.367 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.962 8.765 5.775 1.00 0.00 H new ATOM 729 N GLN A 49 8.939 5.693 11.933 1.00 0.00 N ATOM 730 CA GLN A 49 9.168 4.932 13.157 1.00 0.00 C ATOM 731 C GLN A 49 8.020 3.963 13.424 1.00 0.00 C ATOM 732 O GLN A 49 8.245 2.805 13.775 1.00 0.00 O ATOM 733 CB GLN A 49 9.340 5.882 14.345 1.00 0.00 C ATOM 734 CG GLN A 49 10.656 5.696 15.083 1.00 0.00 C ATOM 735 CD GLN A 49 11.346 7.012 15.384 1.00 0.00 C ATOM 736 OE1 GLN A 49 11.966 7.615 14.508 1.00 0.00 O ATOM 737 NE2 GLN A 49 11.243 7.466 16.628 1.00 0.00 N ATOM 0 H GLN A 49 8.935 6.705 12.059 1.00 0.00 H new ATOM 0 HA GLN A 49 10.081 4.351 13.028 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.273 6.911 13.990 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.516 5.731 15.043 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.473 5.164 16.017 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.319 5.071 14.485 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.719 6.934 17.323 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.688 8.346 16.888 1.00 0.00 H new ATOM 746 N ILE A 50 6.792 4.440 13.256 1.00 0.00 N ATOM 747 CA ILE A 50 5.622 3.603 13.482 1.00 0.00 C ATOM 748 C ILE A 50 5.610 2.420 12.520 1.00 0.00 C ATOM 749 O ILE A 50 5.290 1.298 12.909 1.00 0.00 O ATOM 750 CB ILE A 50 4.307 4.405 13.355 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.167 3.668 14.061 1.00 0.00 C ATOM 752 CG2 ILE A 50 3.952 4.667 11.897 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.772 2.367 13.395 1.00 0.00 C ATOM 0 H ILE A 50 6.582 5.395 12.966 1.00 0.00 H new ATOM 0 HA ILE A 50 5.687 3.229 14.504 1.00 0.00 H new ATOM 0 HB ILE A 50 4.455 5.371 13.837 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.462 3.463 15.090 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.296 4.322 14.104 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.022 5.233 11.845 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.751 5.238 11.425 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.828 3.717 11.376 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.959 1.904 13.954 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.444 2.565 12.375 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.629 1.693 13.376 1.00 0.00 H new ATOM 765 N TYR A 51 5.968 2.677 11.266 1.00 0.00 N ATOM 766 CA TYR A 51 6.001 1.624 10.258 1.00 0.00 C ATOM 767 C TYR A 51 6.914 0.488 10.694 1.00 0.00 C ATOM 768 O TYR A 51 6.593 -0.686 10.516 1.00 0.00 O ATOM 769 CB TYR A 51 6.470 2.165 8.907 1.00 0.00 C ATOM 770 CG TYR A 51 6.458 1.116 7.816 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.286 0.802 7.138 1.00 0.00 C ATOM 772 CD2 TYR A 51 7.617 0.432 7.471 1.00 0.00 C ATOM 773 CE1 TYR A 51 5.270 -0.162 6.147 1.00 0.00 C ATOM 774 CE2 TYR A 51 7.609 -0.533 6.482 1.00 0.00 C ATOM 775 CZ TYR A 51 6.434 -0.826 5.823 1.00 0.00 C ATOM 776 OH TYR A 51 6.422 -1.786 4.837 1.00 0.00 O ATOM 0 H TYR A 51 6.238 3.600 10.925 1.00 0.00 H new ATOM 0 HA TYR A 51 4.985 1.246 10.150 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.829 2.996 8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.480 2.562 9.011 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.372 1.320 7.390 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.540 0.658 7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.351 -0.394 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.519 -1.055 6.226 1.00 0.00 H new ATOM 0 HH TYR A 51 7.323 -2.157 4.731 1.00 0.00 H new ATOM 786 N TYR A 52 8.060 0.848 11.258 1.00 0.00 N ATOM 787 CA TYR A 52 9.027 -0.143 11.714 1.00 0.00 C ATOM 788 C TYR A 52 8.474 -0.975 12.862 1.00 0.00 C ATOM 789 O TYR A 52 8.647 -2.193 12.895 1.00 0.00 O ATOM 790 CB TYR A 52 10.329 0.538 12.143 1.00 0.00 C ATOM 791 CG TYR A 52 11.072 1.202 11.006 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.264 0.544 9.798 1.00 0.00 C ATOM 793 CD2 TYR A 52 11.583 2.487 11.143 1.00 0.00 C ATOM 794 CE1 TYR A 52 11.945 1.148 8.758 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.265 3.097 10.107 1.00 0.00 C ATOM 796 CZ TYR A 52 12.443 2.423 8.918 1.00 0.00 C ATOM 797 OH TYR A 52 13.122 3.027 7.885 1.00 0.00 O ATOM 0 H TYR A 52 8.342 1.816 11.410 1.00 0.00 H new ATOM 0 HA TYR A 52 9.231 -0.812 10.878 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.104 1.286 12.904 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.980 -0.203 12.607 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.875 -0.455 9.669 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.445 3.017 12.074 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.086 0.623 7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.656 4.096 10.229 1.00 0.00 H new ATOM 0 HH TYR A 52 13.406 3.924 8.160 1.00 0.00 H new ATOM 807 N ALA A 53 7.815 -0.317 13.808 1.00 0.00 N ATOM 808 CA ALA A 53 7.253 -1.018 14.955 1.00 0.00 C ATOM 809 C ALA A 53 6.129 -1.954 14.528 1.00 0.00 C ATOM 810 O ALA A 53 6.148 -3.145 14.835 1.00 0.00 O ATOM 811 CB ALA A 53 6.749 -0.022 15.987 1.00 0.00 C ATOM 0 H ALA A 53 7.658 0.691 13.804 1.00 0.00 H new ATOM 0 HA ALA A 53 8.042 -1.621 15.404 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.332 -0.560 16.838 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.576 0.604 16.323 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.977 0.605 15.541 1.00 0.00 H new ATOM 817 N TYR A 54 5.160 -1.408 13.804 1.00 0.00 N ATOM 818 CA TYR A 54 4.034 -2.197 13.318 1.00 0.00 C ATOM 819 C TYR A 54 4.410 -3.002 12.067 1.00 0.00 C ATOM 820 O TYR A 54 3.561 -3.666 11.474 1.00 0.00 O ATOM 821 CB TYR A 54 2.812 -1.297 13.064 1.00 0.00 C ATOM 822 CG TYR A 54 2.501 -1.023 11.606 1.00 0.00 C ATOM 823 CD1 TYR A 54 1.665 -1.866 10.883 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.036 0.080 10.959 1.00 0.00 C ATOM 825 CE1 TYR A 54 1.374 -1.615 9.556 1.00 0.00 C ATOM 826 CE2 TYR A 54 2.751 0.337 9.633 1.00 0.00 C ATOM 827 CZ TYR A 54 1.920 -0.511 8.935 1.00 0.00 C ATOM 828 OH TYR A 54 1.634 -0.256 7.615 1.00 0.00 O ATOM 0 H TYR A 54 5.131 -0.423 13.540 1.00 0.00 H new ATOM 0 HA TYR A 54 3.767 -2.916 14.092 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.939 -1.760 13.524 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.972 -0.345 13.570 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.236 -2.731 11.366 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.687 0.750 11.502 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.723 -2.280 9.008 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.178 1.200 9.144 1.00 0.00 H new ATOM 0 HH TYR A 54 2.097 0.560 7.332 1.00 0.00 H new ATOM 838 N ARG A 55 5.683 -2.941 11.664 1.00 0.00 N ATOM 839 CA ARG A 55 6.141 -3.664 10.482 1.00 0.00 C ATOM 840 C ARG A 55 5.770 -5.142 10.561 1.00 0.00 C ATOM 841 O ARG A 55 5.648 -5.815 9.537 1.00 0.00 O ATOM 842 CB ARG A 55 7.655 -3.518 10.321 1.00 0.00 C ATOM 843 CG ARG A 55 8.190 -4.127 9.035 1.00 0.00 C ATOM 844 CD ARG A 55 9.303 -5.129 9.305 1.00 0.00 C ATOM 845 NE ARG A 55 8.784 -6.480 9.511 1.00 0.00 N ATOM 846 CZ ARG A 55 8.617 -7.045 10.708 1.00 0.00 C ATOM 847 NH1 ARG A 55 8.925 -6.386 11.817 1.00 0.00 N ATOM 848 NH2 ARG A 55 8.137 -8.278 10.793 1.00 0.00 N ATOM 0 H ARG A 55 6.407 -2.401 12.138 1.00 0.00 H new ATOM 0 HA ARG A 55 5.644 -3.231 9.614 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.915 -2.460 10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.150 -3.989 11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.378 -4.621 8.501 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.563 -3.335 8.386 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.000 -5.132 8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.865 -4.818 10.186 1.00 0.00 H new ATOM 0 HE ARG A 55 8.533 -7.026 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.294 -5.437 11.760 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.793 -6.828 12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.897 -8.791 9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.008 -8.713 11.706 1.00 0.00 H new ATOM 862 N SER A 56 5.584 -5.644 11.779 1.00 0.00 N ATOM 863 CA SER A 56 5.218 -7.039 11.979 1.00 0.00 C ATOM 864 C SER A 56 3.917 -7.365 11.251 1.00 0.00 C ATOM 865 O SER A 56 3.678 -8.510 10.867 1.00 0.00 O ATOM 866 CB SER A 56 5.071 -7.342 13.472 1.00 0.00 C ATOM 867 OG SER A 56 5.200 -8.730 13.727 1.00 0.00 O ATOM 0 H SER A 56 5.681 -5.105 12.639 1.00 0.00 H new ATOM 0 HA SER A 56 6.012 -7.662 11.568 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.828 -6.794 14.033 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.100 -6.994 13.823 1.00 0.00 H new ATOM 0 HG SER A 56 5.104 -8.896 14.688 1.00 0.00 H new ATOM 873 N VAL A 57 3.078 -6.348 11.064 1.00 0.00 N ATOM 874 CA VAL A 57 1.803 -6.523 10.381 1.00 0.00 C ATOM 875 C VAL A 57 1.997 -6.638 8.873 1.00 0.00 C ATOM 876 O VAL A 57 1.793 -7.703 8.291 1.00 0.00 O ATOM 877 CB VAL A 57 0.841 -5.356 10.677 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.535 -5.633 10.094 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.753 -5.102 12.174 1.00 0.00 C ATOM 0 H VAL A 57 3.261 -5.395 11.377 1.00 0.00 H new ATOM 0 HA VAL A 57 1.367 -7.448 10.759 1.00 0.00 H new ATOM 0 HB VAL A 57 1.235 -4.458 10.202 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.199 -4.797 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.454 -5.757 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.940 -6.544 10.535 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.069 -4.275 12.363 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.385 -5.998 12.674 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.741 -4.851 12.559 1.00 0.00 H new ATOM 889 N TRP A 58 2.391 -5.535 8.242 1.00 0.00 N ATOM 890 CA TRP A 58 2.609 -5.518 6.800 1.00 0.00 C ATOM 891 C TRP A 58 3.865 -6.303 6.435 1.00 0.00 C ATOM 892 O TRP A 58 4.547 -6.840 7.308 1.00 0.00 O ATOM 893 CB TRP A 58 2.731 -4.076 6.295 1.00 0.00 C ATOM 894 CG TRP A 58 1.602 -3.638 5.404 1.00 0.00 C ATOM 895 CD1 TRP A 58 1.111 -2.370 5.284 1.00 0.00 C ATOM 896 CD2 TRP A 58 0.831 -4.452 4.507 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.082 -2.344 4.375 1.00 0.00 N ATOM 898 CE2 TRP A 58 -0.110 -3.607 3.884 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.839 -5.809 4.170 1.00 0.00 C ATOM 900 CZ2 TRP A 58 -1.027 -4.076 2.946 1.00 0.00 C ATOM 901 CZ3 TRP A 58 -0.073 -6.272 3.239 1.00 0.00 C ATOM 902 CH2 TRP A 58 -0.994 -5.407 2.637 1.00 0.00 C ATOM 0 H TRP A 58 2.565 -4.644 8.706 1.00 0.00 H new ATOM 0 HA TRP A 58 1.751 -5.990 6.322 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.783 -3.406 7.153 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.670 -3.971 5.751 1.00 0.00 H new ATOM 0 HD1 TRP A 58 1.479 -1.511 5.826 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.453 -1.517 4.109 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.546 -6.484 4.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -1.739 -3.411 2.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.074 -7.318 2.972 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.693 -5.799 1.913 1.00 0.00 H new ATOM 913 N HIS A 59 4.171 -6.364 5.142 1.00 0.00 N ATOM 914 CA HIS A 59 5.350 -7.083 4.671 1.00 0.00 C ATOM 915 C HIS A 59 5.574 -6.864 3.173 1.00 0.00 C ATOM 916 O HIS A 59 5.642 -7.822 2.403 1.00 0.00 O ATOM 917 CB HIS A 59 5.213 -8.577 4.968 1.00 0.00 C ATOM 918 CG HIS A 59 6.528 -9.290 5.056 1.00 0.00 C ATOM 919 ND1 HIS A 59 6.708 -10.451 5.778 1.00 0.00 N ATOM 920 CD2 HIS A 59 7.731 -9.000 4.508 1.00 0.00 C ATOM 921 CE1 HIS A 59 7.965 -10.842 5.670 1.00 0.00 C ATOM 922 NE2 HIS A 59 8.607 -9.980 4.906 1.00 0.00 N ATOM 0 H HIS A 59 3.620 -5.925 4.404 1.00 0.00 H new ATOM 0 HA HIS A 59 6.216 -6.690 5.203 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.675 -8.705 5.907 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.608 -9.041 4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.960 -8.155 3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.395 -11.720 6.130 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.593 -10.033 4.652 1.00 0.00 H new ATOM 931 N PRO A 60 5.695 -5.597 2.743 1.00 0.00 N ATOM 932 CA PRO A 60 5.916 -5.259 1.336 1.00 0.00 C ATOM 933 C PRO A 60 7.383 -5.385 0.936 1.00 0.00 C ATOM 934 O PRO A 60 8.187 -5.963 1.666 1.00 0.00 O ATOM 935 CB PRO A 60 5.465 -3.803 1.268 1.00 0.00 C ATOM 936 CG PRO A 60 5.791 -3.252 2.614 1.00 0.00 C ATOM 937 CD PRO A 60 5.628 -4.390 3.592 1.00 0.00 C ATOM 0 HA PRO A 60 5.382 -5.924 0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.987 -3.261 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.399 -3.727 1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.809 -2.862 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.127 -2.425 2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.416 -4.386 4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.679 -4.327 4.124 1.00 0.00 H new ATOM 945 N ALA A 61 7.727 -4.837 -0.226 1.00 0.00 N ATOM 946 CA ALA A 61 9.100 -4.887 -0.716 1.00 0.00 C ATOM 947 C ALA A 61 9.997 -3.947 0.082 1.00 0.00 C ATOM 948 O ALA A 61 10.809 -4.389 0.895 1.00 0.00 O ATOM 949 CB ALA A 61 9.147 -4.535 -2.196 1.00 0.00 C ATOM 0 H ALA A 61 7.075 -4.354 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 61 9.471 -5.904 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.178 -4.577 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.543 -5.247 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.754 -3.529 -2.343 1.00 0.00 H new ATOM 955 N ARG A 62 9.841 -2.647 -0.152 1.00 0.00 N ATOM 956 CA ARG A 62 10.634 -1.643 0.549 1.00 0.00 C ATOM 957 C ARG A 62 9.961 -1.246 1.859 1.00 0.00 C ATOM 958 O ARG A 62 8.790 -1.548 2.082 1.00 0.00 O ATOM 959 CB ARG A 62 10.825 -0.407 -0.332 1.00 0.00 C ATOM 960 CG ARG A 62 11.457 -0.712 -1.682 1.00 0.00 C ATOM 961 CD ARG A 62 10.814 0.100 -2.795 1.00 0.00 C ATOM 962 NE ARG A 62 11.752 0.385 -3.879 1.00 0.00 N ATOM 963 CZ ARG A 62 12.221 -0.538 -4.716 1.00 0.00 C ATOM 964 NH1 ARG A 62 11.843 -1.805 -4.595 1.00 0.00 N ATOM 965 NH2 ARG A 62 13.070 -0.194 -5.673 1.00 0.00 N ATOM 0 H ARG A 62 9.173 -2.265 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 62 11.610 -2.074 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.857 0.067 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.449 0.313 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.525 -0.495 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.355 -1.775 -1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.957 -0.444 -3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.436 1.037 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 62 12.066 1.348 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.191 -2.075 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.205 -2.509 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.364 0.778 -5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.429 -0.901 -6.314 1.00 0.00 H new ATOM 979 N THR A 63 10.709 -0.568 2.725 1.00 0.00 N ATOM 980 CA THR A 63 10.179 -0.133 4.013 1.00 0.00 C ATOM 981 C THR A 63 10.232 1.383 4.141 1.00 0.00 C ATOM 982 O THR A 63 11.083 2.039 3.538 1.00 0.00 O ATOM 983 CB THR A 63 10.955 -0.786 5.157 1.00 0.00 C ATOM 984 OG1 THR A 63 10.587 -0.218 6.400 1.00 0.00 O ATOM 985 CG2 THR A 63 12.456 -0.650 5.015 1.00 0.00 C ATOM 0 H THR A 63 11.681 -0.309 2.559 1.00 0.00 H new ATOM 0 HA THR A 63 9.136 -0.445 4.071 1.00 0.00 H new ATOM 0 HB THR A 63 10.697 -1.844 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.648 0.060 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.947 -1.135 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.778 -1.123 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.725 0.406 4.996 1.00 0.00 H new ATOM 993 N VAL A 64 9.308 1.936 4.920 1.00 0.00 N ATOM 994 CA VAL A 64 9.227 3.378 5.127 1.00 0.00 C ATOM 995 C VAL A 64 8.664 4.066 3.886 1.00 0.00 C ATOM 996 O VAL A 64 7.694 4.819 3.969 1.00 0.00 O ATOM 997 CB VAL A 64 10.604 3.979 5.516 1.00 0.00 C ATOM 998 CG1 VAL A 64 11.012 5.126 4.597 1.00 0.00 C ATOM 999 CG2 VAL A 64 10.579 4.441 6.966 1.00 0.00 C ATOM 0 H VAL A 64 8.599 1.402 5.422 1.00 0.00 H new ATOM 0 HA VAL A 64 8.548 3.556 5.961 1.00 0.00 H new ATOM 0 HB VAL A 64 11.351 3.194 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.982 5.514 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.078 4.764 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.268 5.920 4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.549 4.861 7.231 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.808 5.201 7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.362 3.592 7.615 1.00 0.00 H new ATOM 1009 N SER A 65 9.264 3.787 2.737 1.00 0.00 N ATOM 1010 CA SER A 65 8.805 4.362 1.482 1.00 0.00 C ATOM 1011 C SER A 65 7.389 3.886 1.184 1.00 0.00 C ATOM 1012 O SER A 65 6.582 4.617 0.609 1.00 0.00 O ATOM 1013 CB SER A 65 9.745 3.971 0.341 1.00 0.00 C ATOM 1014 OG SER A 65 9.872 5.024 -0.600 1.00 0.00 O ATOM 0 H SER A 65 10.069 3.167 2.649 1.00 0.00 H new ATOM 0 HA SER A 65 8.804 5.448 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.726 3.719 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.366 3.078 -0.157 1.00 0.00 H new ATOM 0 HG SER A 65 10.479 4.749 -1.318 1.00 0.00 H new ATOM 1020 N GLN A 66 7.091 2.655 1.593 1.00 0.00 N ATOM 1021 CA GLN A 66 5.769 2.081 1.384 1.00 0.00 C ATOM 1022 C GLN A 66 4.737 2.803 2.243 1.00 0.00 C ATOM 1023 O GLN A 66 3.580 2.951 1.850 1.00 0.00 O ATOM 1024 CB GLN A 66 5.778 0.588 1.716 1.00 0.00 C ATOM 1025 CG GLN A 66 4.939 -0.252 0.768 1.00 0.00 C ATOM 1026 CD GLN A 66 5.612 -0.461 -0.574 1.00 0.00 C ATOM 1027 OE1 GLN A 66 6.553 -1.244 -0.695 1.00 0.00 O ATOM 1028 NE2 GLN A 66 5.130 0.242 -1.592 1.00 0.00 N ATOM 0 H GLN A 66 7.748 2.038 2.070 1.00 0.00 H new ATOM 0 HA GLN A 66 5.500 2.204 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.806 0.226 1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.411 0.448 2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.740 -1.221 1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.975 0.232 0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.348 0.880 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.542 0.144 -2.520 1.00 0.00 H new ATOM 1037 N LEU A 67 5.171 3.259 3.415 1.00 0.00 N ATOM 1038 CA LEU A 67 4.290 3.974 4.329 1.00 0.00 C ATOM 1039 C LEU A 67 3.881 5.306 3.727 1.00 0.00 C ATOM 1040 O LEU A 67 2.699 5.637 3.655 1.00 0.00 O ATOM 1041 CB LEU A 67 5.005 4.195 5.669 1.00 0.00 C ATOM 1042 CG LEU A 67 4.136 4.683 6.839 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.203 5.804 6.407 1.00 0.00 C ATOM 1044 CD2 LEU A 67 3.346 3.533 7.433 1.00 0.00 C ATOM 0 H LEU A 67 6.127 3.145 3.752 1.00 0.00 H new ATOM 0 HA LEU A 67 3.392 3.379 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.477 3.257 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.805 4.919 5.513 1.00 0.00 H new ATOM 0 HG LEU A 67 4.803 5.080 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.603 6.126 7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.791 6.645 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.546 5.446 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.737 3.899 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.699 3.103 6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.033 2.770 7.798 1.00 0.00 H new ATOM 1056 N TYR A 68 4.869 6.059 3.280 1.00 0.00 N ATOM 1057 CA TYR A 68 4.616 7.350 2.668 1.00 0.00 C ATOM 1058 C TYR A 68 3.794 7.170 1.402 1.00 0.00 C ATOM 1059 O TYR A 68 3.046 8.059 0.998 1.00 0.00 O ATOM 1060 CB TYR A 68 5.933 8.057 2.358 1.00 0.00 C ATOM 1061 CG TYR A 68 6.638 8.604 3.585 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.378 8.092 4.857 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.565 9.631 3.470 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.025 8.593 5.969 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.215 10.135 4.579 1.00 0.00 C ATOM 1066 CZ TYR A 68 7.943 9.614 5.825 1.00 0.00 C ATOM 1067 OH TYR A 68 8.587 10.115 6.933 1.00 0.00 O ATOM 0 H TYR A 68 5.854 5.799 3.329 1.00 0.00 H new ATOM 0 HA TYR A 68 4.052 7.969 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.598 7.359 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.740 8.876 1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.661 7.293 4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.782 10.043 2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.814 8.188 6.948 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.933 10.934 4.470 1.00 0.00 H new ATOM 0 HH TYR A 68 8.520 11.093 6.936 1.00 0.00 H new ATOM 1077 N ASP A 69 3.943 6.005 0.778 1.00 0.00 N ATOM 1078 CA ASP A 69 3.219 5.696 -0.443 1.00 0.00 C ATOM 1079 C ASP A 69 1.726 5.596 -0.187 1.00 0.00 C ATOM 1080 O ASP A 69 0.927 6.219 -0.887 1.00 0.00 O ATOM 1081 CB ASP A 69 3.732 4.385 -1.038 1.00 0.00 C ATOM 1082 CG ASP A 69 3.162 4.112 -2.415 1.00 0.00 C ATOM 1083 OD1 ASP A 69 2.801 5.085 -3.112 1.00 0.00 O ATOM 1084 OD2 ASP A 69 3.073 2.927 -2.798 1.00 0.00 O ATOM 0 H ASP A 69 4.561 5.261 1.102 1.00 0.00 H new ATOM 0 HA ASP A 69 3.390 6.507 -1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.820 4.418 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.475 3.562 -0.372 1.00 0.00 H new ATOM 1089 N HIS A 70 1.349 4.828 0.823 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.059 4.681 1.154 1.00 0.00 C ATOM 1091 C HIS A 70 -0.518 5.849 2.016 1.00 0.00 C ATOM 1092 O HIS A 70 -1.704 6.174 2.063 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.335 3.342 1.840 1.00 0.00 C ATOM 1094 CG HIS A 70 0.341 3.173 3.156 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.078 2.056 3.475 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.386 3.978 4.241 1.00 0.00 C ATOM 1097 CE1 HIS A 70 1.547 2.177 4.698 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.143 3.337 5.187 1.00 0.00 N ATOM 0 H HIS A 70 1.988 4.304 1.420 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.632 4.689 0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.410 3.235 1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.019 2.536 1.177 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.236 1.258 2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.086 4.944 4.343 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.158 1.452 5.215 1.00 0.00 H new ATOM 1107 N TRP A 71 0.438 6.502 2.672 1.00 0.00 N ATOM 1108 CA TRP A 71 0.134 7.655 3.498 1.00 0.00 C ATOM 1109 C TRP A 71 -0.036 8.888 2.620 1.00 0.00 C ATOM 1110 O TRP A 71 -0.813 9.787 2.940 1.00 0.00 O ATOM 1111 CB TRP A 71 1.239 7.889 4.529 1.00 0.00 C ATOM 1112 CG TRP A 71 0.854 8.871 5.592 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.451 10.070 5.856 1.00 0.00 C ATOM 1114 CD2 TRP A 71 -0.213 8.737 6.538 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.818 10.691 6.906 1.00 0.00 N ATOM 1116 CE2 TRP A 71 -0.207 9.893 7.342 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -1.176 7.754 6.782 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -1.124 10.091 8.371 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -2.087 7.951 7.803 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -2.055 9.112 8.587 1.00 0.00 C ATOM 0 H TRP A 71 1.426 6.249 2.644 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.796 7.465 4.033 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.498 6.939 4.997 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.133 8.247 4.019 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.297 10.472 5.318 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.070 11.599 7.297 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.208 6.856 6.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.101 10.985 8.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.836 7.198 8.000 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.780 9.237 9.378 1.00 0.00 H new ATOM 1131 N ARG A 72 0.682 8.916 1.495 1.00 0.00 N ATOM 1132 CA ARG A 72 0.585 10.034 0.570 1.00 0.00 C ATOM 1133 C ARG A 72 -0.700 9.930 -0.236 1.00 0.00 C ATOM 1134 O ARG A 72 -1.437 10.903 -0.385 1.00 0.00 O ATOM 1135 CB ARG A 72 1.794 10.067 -0.368 1.00 0.00 C ATOM 1136 CG ARG A 72 1.783 11.242 -1.331 1.00 0.00 C ATOM 1137 CD ARG A 72 3.066 11.312 -2.145 1.00 0.00 C ATOM 1138 NE ARG A 72 4.251 11.071 -1.325 1.00 0.00 N ATOM 1139 CZ ARG A 72 4.768 11.966 -0.488 1.00 0.00 C ATOM 1140 NH1 ARG A 72 4.208 13.161 -0.355 1.00 0.00 N ATOM 1141 NH2 ARG A 72 5.847 11.666 0.220 1.00 0.00 N ATOM 0 H ARG A 72 1.330 8.182 1.209 1.00 0.00 H new ATOM 0 HA ARG A 72 0.572 10.960 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.706 10.105 0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.826 9.139 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.929 11.154 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.655 12.169 -0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.026 10.576 -2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.144 12.293 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 72 4.709 10.163 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.376 13.398 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.609 13.843 0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.282 10.748 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.243 12.353 0.862 1.00 0.00 H new ATOM 1155 N GLY A 73 -0.965 8.733 -0.741 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.166 8.504 -1.518 1.00 0.00 C ATOM 1157 C GLY A 73 -3.421 8.609 -0.678 1.00 0.00 C ATOM 1158 O GLY A 73 -4.476 9.006 -1.172 1.00 0.00 O ATOM 0 H GLY A 73 -0.368 7.914 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.214 9.228 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.118 7.515 -1.974 1.00 0.00 H new ATOM 1162 N THR A 74 -3.309 8.253 0.600 1.00 0.00 N ATOM 1163 CA THR A 74 -4.447 8.311 1.509 1.00 0.00 C ATOM 1164 C THR A 74 -4.654 9.727 2.041 1.00 0.00 C ATOM 1165 O THR A 74 -5.773 10.114 2.375 1.00 0.00 O ATOM 1166 CB THR A 74 -4.249 7.335 2.672 1.00 0.00 C ATOM 1167 OG1 THR A 74 -4.151 6.005 2.198 1.00 0.00 O ATOM 1168 CG2 THR A 74 -5.370 7.377 3.690 1.00 0.00 C ATOM 0 H THR A 74 -2.444 7.922 1.027 1.00 0.00 H new ATOM 0 HA THR A 74 -5.338 8.023 0.952 1.00 0.00 H new ATOM 0 HB THR A 74 -3.327 7.651 3.159 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.265 5.862 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.166 6.661 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.440 8.379 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.312 7.121 3.205 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.571 10.497 2.121 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.653 11.867 2.618 1.00 0.00 C ATOM 1178 C LEU A 75 -2.574 12.752 1.997 1.00 0.00 C ATOM 1179 O LEU A 75 -1.652 13.198 2.679 1.00 0.00 O ATOM 1180 CB LEU A 75 -3.527 11.883 4.143 1.00 0.00 C ATOM 1181 CG LEU A 75 -4.313 12.993 4.846 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -4.958 12.467 6.119 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -3.407 14.175 5.155 1.00 0.00 C ATOM 0 H LEU A 75 -2.634 10.198 1.850 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.625 12.268 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.862 10.921 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.474 11.983 4.404 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.103 13.332 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.512 13.270 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.640 11.653 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.185 12.100 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.983 14.954 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.595 13.851 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.993 14.569 4.227 1.00 0.00 H new ATOM 1195 N ARG A 76 -2.698 13.011 0.698 1.00 0.00 N ATOM 1196 CA ARG A 76 -1.735 13.849 -0.010 1.00 0.00 C ATOM 1197 C ARG A 76 -1.972 15.325 0.297 1.00 0.00 C ATOM 1198 O ARG A 76 -1.030 16.074 0.553 1.00 0.00 O ATOM 1199 CB ARG A 76 -1.825 13.615 -1.520 1.00 0.00 C ATOM 1200 CG ARG A 76 -3.194 13.925 -2.107 1.00 0.00 C ATOM 1201 CD ARG A 76 -3.462 13.102 -3.356 1.00 0.00 C ATOM 1202 NE ARG A 76 -4.182 13.867 -4.372 1.00 0.00 N ATOM 1203 CZ ARG A 76 -4.723 13.326 -5.461 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -4.627 12.020 -5.681 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -5.361 14.092 -6.334 1.00 0.00 N ATOM 0 H ARG A 76 -3.455 12.653 0.115 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.737 13.575 0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.077 14.231 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.575 12.576 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.965 13.722 -1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.256 14.986 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.516 12.751 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.041 12.218 -3.090 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.275 14.874 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.136 11.425 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.044 11.612 -6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.437 15.096 -6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.776 13.678 -7.169 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.237 15.734 0.266 1.00 0.00 N ATOM 1220 CA TYR A 77 -3.599 17.121 0.539 1.00 0.00 C ATOM 1221 C TYR A 77 -4.049 17.293 1.986 1.00 0.00 C ATOM 1222 O TYR A 77 -3.883 16.391 2.810 1.00 0.00 O ATOM 1223 CB TYR A 77 -4.708 17.573 -0.416 1.00 0.00 C ATOM 1224 CG TYR A 77 -4.236 18.545 -1.475 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -3.193 18.214 -2.329 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -4.834 19.789 -1.617 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -2.758 19.099 -3.300 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -4.406 20.680 -2.583 1.00 0.00 C ATOM 1229 CZ TYR A 77 -3.367 20.331 -3.421 1.00 0.00 C ATOM 1230 OH TYR A 77 -2.937 21.215 -4.384 1.00 0.00 O ATOM 0 H TYR A 77 -4.028 15.125 0.055 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.717 17.742 0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.136 16.697 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.507 18.038 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.714 17.251 -2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.647 20.065 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.947 18.827 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.882 21.644 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.471 22.035 -4.337 1.00 0.00 H new ATOM 1240 N LYS A 78 -4.620 18.455 2.291 1.00 0.00 N ATOM 1241 CA LYS A 78 -5.094 18.750 3.640 1.00 0.00 C ATOM 1242 C LYS A 78 -3.923 18.930 4.602 1.00 0.00 C ATOM 1243 O LYS A 78 -3.911 18.366 5.697 1.00 0.00 O ATOM 1244 CB LYS A 78 -6.018 17.635 4.140 1.00 0.00 C ATOM 1245 CG LYS A 78 -7.048 17.192 3.114 1.00 0.00 C ATOM 1246 CD LYS A 78 -7.992 16.145 3.686 1.00 0.00 C ATOM 1247 CE LYS A 78 -9.373 16.723 3.951 1.00 0.00 C ATOM 1248 NZ LYS A 78 -9.379 17.629 5.133 1.00 0.00 N ATOM 0 H LYS A 78 -4.766 19.209 1.620 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.656 19.683 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.413 16.776 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.535 17.978 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.622 18.055 2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.540 16.786 2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.074 15.309 2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.578 15.749 4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.712 17.271 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.082 15.911 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.339 18.002 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.080 17.100 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.722 18.418 4.969 1.00 0.00 H new ATOM 1262 N VAL A 79 -2.940 19.722 4.184 1.00 0.00 N ATOM 1263 CA VAL A 79 -1.765 19.979 5.008 1.00 0.00 C ATOM 1264 C VAL A 79 -1.864 21.335 5.697 1.00 0.00 C ATOM 1265 O VAL A 79 -2.664 22.184 5.304 1.00 0.00 O ATOM 1266 CB VAL A 79 -0.472 19.933 4.173 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -0.123 18.499 3.802 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -0.610 20.795 2.928 1.00 0.00 C ATOM 0 H VAL A 79 -2.934 20.196 3.281 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.729 19.193 5.762 1.00 0.00 H new ATOM 0 HB VAL A 79 0.342 20.334 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.794 18.489 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.023 17.914 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.935 18.066 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.313 20.750 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.437 20.427 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.806 21.827 3.220 1.00 0.00 H new ATOM 1278 N ILE A 80 -1.045 21.533 6.725 1.00 0.00 N ATOM 1279 CA ILE A 80 -1.043 22.787 7.468 1.00 0.00 C ATOM 1280 C ILE A 80 -2.377 23.011 8.171 1.00 0.00 C ATOM 1281 O ILE A 80 -3.432 23.015 7.538 1.00 0.00 O ATOM 1282 CB ILE A 80 -0.754 23.987 6.545 1.00 0.00 C ATOM 1283 CG1 ILE A 80 0.502 23.730 5.708 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -0.598 25.261 7.363 1.00 0.00 C ATOM 1285 CD1 ILE A 80 0.390 24.221 4.282 1.00 0.00 C ATOM 0 H ILE A 80 -0.375 20.842 7.062 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.251 22.712 8.213 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.599 24.113 5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.352 24.217 6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.710 22.660 5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.394 26.099 6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.517 25.453 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.229 25.145 8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.316 24.005 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.439 23.716 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.213 25.296 4.280 1.00 0.00 H new ATOM 1297 N GLN A 81 -2.322 23.195 9.487 1.00 0.00 N ATOM 1298 CA GLN A 81 -3.526 23.420 10.278 1.00 0.00 C ATOM 1299 C GLN A 81 -3.962 24.881 10.209 1.00 0.00 C ATOM 1300 O GLN A 81 -5.143 25.192 10.357 1.00 0.00 O ATOM 1301 CB GLN A 81 -3.286 23.016 11.735 1.00 0.00 C ATOM 1302 CG GLN A 81 -3.362 21.516 11.970 1.00 0.00 C ATOM 1303 CD GLN A 81 -4.731 21.068 12.442 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -5.725 21.771 12.253 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -4.790 19.895 13.059 1.00 0.00 N ATOM 0 H GLN A 81 -1.457 23.193 10.027 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.323 22.804 9.862 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.305 23.375 12.046 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.022 23.512 12.367 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.112 20.994 11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.615 21.230 12.710 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.941 19.346 13.194 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.685 19.542 13.399 1.00 0.00 H new ATOM 1314 N GLN A 82 -3.001 25.772 9.982 1.00 0.00 N ATOM 1315 CA GLN A 82 -3.285 27.200 9.892 1.00 0.00 C ATOM 1316 C GLN A 82 -3.812 27.739 11.220 1.00 0.00 C ATOM 1317 O GLN A 82 -4.507 28.754 11.255 1.00 0.00 O ATOM 1318 CB GLN A 82 -4.301 27.471 8.780 1.00 0.00 C ATOM 1319 CG GLN A 82 -4.291 28.907 8.283 1.00 0.00 C ATOM 1320 CD GLN A 82 -5.536 29.260 7.492 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -5.892 28.573 6.535 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -6.203 30.335 7.891 1.00 0.00 N ATOM 0 H GLN A 82 -2.018 25.530 9.857 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.353 27.714 9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.097 26.804 7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.299 27.228 9.144 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.203 29.582 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.412 29.065 7.659 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.870 30.874 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.049 30.622 7.399 1.00 0.00 H new ATOM 1331 N GLN A 83 -3.479 27.054 12.311 1.00 0.00 N ATOM 1332 CA GLN A 83 -3.917 27.466 13.640 1.00 0.00 C ATOM 1333 C GLN A 83 -5.434 27.634 13.691 1.00 0.00 C ATOM 1334 O GLN A 83 -5.957 28.720 13.442 1.00 0.00 O ATOM 1335 CB GLN A 83 -3.233 28.775 14.040 1.00 0.00 C ATOM 1336 CG GLN A 83 -2.685 28.766 15.458 1.00 0.00 C ATOM 1337 CD GLN A 83 -3.780 28.699 16.505 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -4.429 29.700 16.807 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -3.990 27.513 17.065 1.00 0.00 N ATOM 0 H GLN A 83 -2.906 26.210 12.300 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.635 26.684 14.345 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.417 28.976 13.345 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.946 29.593 13.940 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.018 27.913 15.580 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -2.088 29.664 15.619 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.428 26.710 16.784 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.713 27.406 17.776 1.00 0.00 H new ATOM 1348 N GLY A 84 -6.134 26.551 14.015 1.00 0.00 N ATOM 1349 CA GLY A 84 -7.582 26.600 14.094 1.00 0.00 C ATOM 1350 C GLY A 84 -8.083 26.675 15.522 1.00 0.00 C ATOM 1351 O GLY A 84 -7.456 26.139 16.435 1.00 0.00 O ATOM 0 H GLY A 84 -5.724 25.641 14.224 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.944 27.466 13.540 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.999 25.716 13.612 1.00 0.00 H new ATOM 1355 N TYR A 85 -9.216 27.342 15.717 1.00 0.00 N ATOM 1356 CA TYR A 85 -9.799 27.487 17.046 1.00 0.00 C ATOM 1357 C TYR A 85 -11.241 27.978 16.958 1.00 0.00 C ATOM 1358 O TYR A 85 -11.632 28.613 15.978 1.00 0.00 O ATOM 1359 CB TYR A 85 -8.968 28.456 17.888 1.00 0.00 C ATOM 1360 CG TYR A 85 -8.809 28.024 19.329 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -8.357 26.748 19.645 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -9.111 28.891 20.371 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -8.210 26.351 20.961 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -8.967 28.499 21.689 1.00 0.00 C ATOM 1365 CZ TYR A 85 -8.516 27.230 21.977 1.00 0.00 C ATOM 1366 OH TYR A 85 -8.371 26.836 23.289 1.00 0.00 O ATOM 0 H TYR A 85 -9.749 27.791 14.972 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.797 26.508 17.525 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.981 28.561 17.438 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.436 29.440 17.862 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -8.117 26.057 18.851 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.464 29.887 20.148 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.857 25.357 21.192 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.207 29.184 22.488 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.627 27.573 23.882 1.00 0.00 H new ATOM 1376 N ARG A 86 -12.026 27.681 17.987 1.00 0.00 N ATOM 1377 CA ARG A 86 -13.425 28.093 18.027 1.00 0.00 C ATOM 1378 C ARG A 86 -13.933 28.156 19.465 1.00 0.00 C ATOM 1379 O ARG A 86 -13.649 27.270 20.272 1.00 0.00 O ATOM 1380 CB ARG A 86 -14.286 27.128 17.209 1.00 0.00 C ATOM 1381 CG ARG A 86 -14.582 27.621 15.802 1.00 0.00 C ATOM 1382 CD ARG A 86 -14.673 26.468 14.815 1.00 0.00 C ATOM 1383 NE ARG A 86 -13.359 26.070 14.316 1.00 0.00 N ATOM 1384 CZ ARG A 86 -13.171 25.354 13.211 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -14.210 24.955 12.486 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -11.942 25.036 12.827 1.00 0.00 N ATOM 0 H ARG A 86 -11.718 27.156 18.805 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.498 29.090 17.592 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.780 26.165 17.149 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.228 26.961 17.732 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -15.519 28.178 15.800 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.800 28.312 15.485 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.151 25.615 15.297 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.307 26.757 13.977 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.537 26.358 14.846 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.157 25.198 12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.060 24.406 11.639 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.140 25.341 13.379 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.799 24.487 11.979 1.00 0.00 H new ATOM 1400 N GLY A 87 -14.685 29.205 19.775 1.00 0.00 N ATOM 1401 CA GLY A 87 -15.221 29.363 21.115 1.00 0.00 C ATOM 1402 C GLY A 87 -16.062 30.617 21.259 1.00 0.00 C ATOM 1403 O GLY A 87 -16.951 30.873 20.447 1.00 0.00 O ATOM 0 H GLY A 87 -14.934 29.949 19.123 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -15.827 28.492 21.366 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -14.399 29.396 21.830 1.00 0.00 H new ATOM 1407 N LYS A 88 -15.780 31.400 22.296 1.00 0.00 N ATOM 1408 CA LYS A 88 -16.516 32.634 22.546 1.00 0.00 C ATOM 1409 C LYS A 88 -17.986 32.344 22.829 1.00 0.00 C ATOM 1410 O LYS A 88 -18.679 31.733 22.015 1.00 0.00 O ATOM 1411 CB LYS A 88 -16.387 33.581 21.348 1.00 0.00 C ATOM 1412 CG LYS A 88 -15.827 34.946 21.711 1.00 0.00 C ATOM 1413 CD LYS A 88 -16.687 35.644 22.753 1.00 0.00 C ATOM 1414 CE LYS A 88 -15.837 36.406 23.757 1.00 0.00 C ATOM 1415 NZ LYS A 88 -16.415 36.354 25.126 1.00 0.00 N ATOM 0 H LYS A 88 -15.047 31.201 22.977 1.00 0.00 H new ATOM 0 HA LYS A 88 -16.086 33.113 23.425 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.743 33.121 20.599 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -17.368 33.710 20.890 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.812 34.834 22.092 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.765 35.565 20.816 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.373 36.332 22.259 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.297 34.907 23.276 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.831 35.988 23.772 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.746 37.445 23.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.806 36.885 25.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.365 36.776 25.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.479 35.364 25.439 1.00 0.00 H new ATOM 1429 N ASN A 89 -18.459 32.787 23.990 1.00 0.00 N ATOM 1430 CA ASN A 89 -19.848 32.575 24.382 1.00 0.00 C ATOM 1431 C ASN A 89 -20.406 33.802 25.096 1.00 0.00 C ATOM 1432 O ASN A 89 -19.717 34.430 25.901 1.00 0.00 O ATOM 1433 CB ASN A 89 -19.963 31.348 25.287 1.00 0.00 C ATOM 1434 CG ASN A 89 -21.379 30.808 25.352 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -21.955 30.676 26.432 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -21.946 30.494 24.193 1.00 0.00 N ATOM 0 H ASN A 89 -17.901 33.295 24.676 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.432 32.407 23.477 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -19.296 30.567 24.922 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -19.630 31.608 26.292 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -22.897 30.127 24.174 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -21.430 30.620 23.322 1.00 0.00 H new ATOM 1443 N SER A 90 -21.656 34.137 24.798 1.00 0.00 N ATOM 1444 CA SER A 90 -22.307 35.288 25.413 1.00 0.00 C ATOM 1445 C SER A 90 -23.823 35.123 25.410 1.00 0.00 C ATOM 1446 O SER A 90 -24.490 35.436 24.423 1.00 0.00 O ATOM 1447 CB SER A 90 -21.920 36.572 24.676 1.00 0.00 C ATOM 1448 OG SER A 90 -22.450 37.713 25.327 1.00 0.00 O ATOM 0 H SER A 90 -22.239 33.628 24.134 1.00 0.00 H new ATOM 0 HA SER A 90 -21.970 35.355 26.447 1.00 0.00 H new ATOM 0 HB2 SER A 90 -20.834 36.651 24.623 1.00 0.00 H new ATOM 0 HB3 SER A 90 -22.287 36.531 23.651 1.00 0.00 H new ATOM 0 HG SER A 90 -22.187 38.520 24.838 1.00 0.00 H new ATOM 1454 N VAL A 91 -24.362 34.627 26.519 1.00 0.00 N ATOM 1455 CA VAL A 91 -25.799 34.419 26.644 1.00 0.00 C ATOM 1456 C VAL A 91 -26.289 34.795 28.040 1.00 0.00 C ATOM 1457 O VAL A 91 -26.358 33.951 28.932 1.00 0.00 O ATOM 1458 CB VAL A 91 -26.182 32.956 26.356 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -27.694 32.802 26.294 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -25.536 32.481 25.063 1.00 0.00 C ATOM 0 H VAL A 91 -23.824 34.362 27.344 1.00 0.00 H new ATOM 0 HA VAL A 91 -26.277 35.064 25.907 1.00 0.00 H new ATOM 0 HB VAL A 91 -25.811 32.334 27.171 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -27.946 31.761 26.090 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -28.129 33.100 27.248 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -28.092 33.434 25.500 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -25.817 31.445 24.875 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -25.875 33.105 24.236 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -24.452 32.552 25.150 1.00 0.00 H new ATOM 1470 N ALA A 92 -26.631 36.068 28.218 1.00 0.00 N ATOM 1471 CA ALA A 92 -27.116 36.556 29.503 1.00 0.00 C ATOM 1472 C ALA A 92 -27.849 37.884 29.342 1.00 0.00 C ATOM 1473 O ALA A 92 -27.256 38.890 28.956 1.00 0.00 O ATOM 1474 CB ALA A 92 -25.961 36.705 30.481 1.00 0.00 C ATOM 0 H ALA A 92 -26.581 36.779 27.488 1.00 0.00 H new ATOM 0 HA ALA A 92 -27.821 35.825 29.900 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -26.338 37.070 31.436 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -25.480 35.738 30.626 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -25.236 37.414 30.082 1.00 0.00 H new ATOM 1480 N ALA A 93 -29.144 37.879 29.644 1.00 0.00 N ATOM 1481 CA ALA A 93 -29.959 39.083 29.533 1.00 0.00 C ATOM 1482 C ALA A 93 -30.396 39.578 30.908 1.00 0.00 C ATOM 1483 O ALA A 93 -30.531 40.781 31.131 1.00 0.00 O ATOM 1484 CB ALA A 93 -31.171 38.820 28.655 1.00 0.00 C ATOM 0 H ALA A 93 -29.651 37.055 29.967 1.00 0.00 H new ATOM 0 HA ALA A 93 -29.352 39.862 29.071 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -31.770 39.727 28.581 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -30.841 38.521 27.660 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -31.772 38.023 29.093 1.00 0.00 H new ATOM 1490 N ARG A 94 -30.618 38.642 31.825 1.00 0.00 N ATOM 1491 CA ARG A 94 -31.041 38.984 33.178 1.00 0.00 C ATOM 1492 C ARG A 94 -30.457 38.008 34.195 1.00 0.00 C ATOM 1493 O ARG A 94 -30.566 36.792 34.037 1.00 0.00 O ATOM 1494 CB ARG A 94 -32.568 38.985 33.272 1.00 0.00 C ATOM 1495 CG ARG A 94 -33.122 40.092 34.154 1.00 0.00 C ATOM 1496 CD ARG A 94 -33.059 41.444 33.460 1.00 0.00 C ATOM 1497 NE ARG A 94 -34.334 42.153 33.526 1.00 0.00 N ATOM 1498 CZ ARG A 94 -35.370 41.889 32.732 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -35.287 40.935 31.814 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -36.495 42.582 32.858 1.00 0.00 N ATOM 0 H ARG A 94 -30.512 37.642 31.656 1.00 0.00 H new ATOM 0 HA ARG A 94 -30.669 39.983 33.406 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -32.985 39.087 32.270 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -32.901 38.022 33.660 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -34.155 39.865 34.418 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -32.557 40.133 35.085 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -32.281 42.053 33.922 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -32.776 41.303 32.417 1.00 0.00 H new ATOM 0 HE ARG A 94 -34.437 42.893 34.220 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -34.426 40.398 31.713 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -36.085 40.738 31.209 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -36.566 43.316 33.563 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -37.289 42.380 32.250 1.00 0.00 H new ATOM 1514 N SER A 95 -29.836 38.550 35.237 1.00 0.00 N ATOM 1515 CA SER A 95 -29.235 37.728 36.281 1.00 0.00 C ATOM 1516 C SER A 95 -28.162 36.809 35.702 1.00 0.00 C ATOM 1517 O SER A 95 -28.357 35.598 35.600 1.00 0.00 O ATOM 1518 CB SER A 95 -30.308 36.899 36.988 1.00 0.00 C ATOM 1519 OG SER A 95 -30.803 37.573 38.133 1.00 0.00 O ATOM 0 H SER A 95 -29.736 39.555 35.381 1.00 0.00 H new ATOM 0 HA SER A 95 -28.764 38.393 37.006 1.00 0.00 H new ATOM 0 HB2 SER A 95 -31.128 36.696 36.299 1.00 0.00 H new ATOM 0 HB3 SER A 95 -29.892 35.935 37.281 1.00 0.00 H new ATOM 0 HG SER A 95 -31.489 37.023 38.566 1.00 0.00 H new ATOM 1525 N PRO A 96 -27.006 37.377 35.311 1.00 0.00 N ATOM 1526 CA PRO A 96 -25.900 36.602 34.740 1.00 0.00 C ATOM 1527 C PRO A 96 -25.485 35.440 35.635 1.00 0.00 C ATOM 1528 O PRO A 96 -24.995 34.417 35.155 1.00 0.00 O ATOM 1529 CB PRO A 96 -24.765 37.624 34.631 1.00 0.00 C ATOM 1530 CG PRO A 96 -25.448 38.945 34.560 1.00 0.00 C ATOM 1531 CD PRO A 96 -26.690 38.814 35.397 1.00 0.00 C ATOM 0 HA PRO A 96 -26.172 36.146 33.788 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -24.099 37.569 35.492 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -24.156 37.446 33.745 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -24.804 39.738 34.939 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -25.697 39.201 33.530 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -26.516 39.127 36.427 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -27.503 39.429 35.010 1.00 0.00 H new ATOM 1539 N GLU A 97 -25.684 35.603 36.938 1.00 0.00 N ATOM 1540 CA GLU A 97 -25.331 34.568 37.903 1.00 0.00 C ATOM 1541 C GLU A 97 -26.507 33.627 38.146 1.00 0.00 C ATOM 1542 O GLU A 97 -27.320 33.853 39.043 1.00 0.00 O ATOM 1543 CB GLU A 97 -24.886 35.200 39.223 1.00 0.00 C ATOM 1544 CG GLU A 97 -23.701 34.497 39.865 1.00 0.00 C ATOM 1545 CD GLU A 97 -23.290 35.132 41.180 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -24.093 35.094 42.136 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -22.163 35.666 41.253 1.00 0.00 O ATOM 0 H GLU A 97 -26.089 36.443 37.351 1.00 0.00 H new ATOM 0 HA GLU A 97 -24.505 33.989 37.490 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -24.627 36.244 39.047 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -25.724 35.193 39.920 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.952 33.450 40.034 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.856 34.515 39.177 1.00 0.00 H new ATOM 1554 N LYS A 98 -26.590 32.571 37.343 1.00 0.00 N ATOM 1555 CA LYS A 98 -27.666 31.596 37.472 1.00 0.00 C ATOM 1556 C LYS A 98 -27.212 30.218 36.997 1.00 0.00 C ATOM 1557 O LYS A 98 -28.005 29.440 36.468 1.00 0.00 O ATOM 1558 CB LYS A 98 -28.889 32.046 36.671 1.00 0.00 C ATOM 1559 CG LYS A 98 -29.847 32.917 37.464 1.00 0.00 C ATOM 1560 CD LYS A 98 -30.616 32.106 38.494 1.00 0.00 C ATOM 1561 CE LYS A 98 -31.557 32.983 39.306 1.00 0.00 C ATOM 1562 NZ LYS A 98 -32.597 32.182 40.007 1.00 0.00 N ATOM 0 H LYS A 98 -25.925 32.369 36.596 1.00 0.00 H new ATOM 0 HA LYS A 98 -27.935 31.527 38.526 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -28.555 32.596 35.791 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -29.423 31.166 36.313 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -29.290 33.709 37.965 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -30.548 33.401 36.784 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -31.187 31.326 37.991 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -29.915 31.607 39.163 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -30.983 33.551 40.037 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -32.038 33.706 38.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -33.218 32.817 40.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -33.162 31.659 39.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -32.139 31.510 40.655 1.00 0.00 H new ATOM 1576 N ALA A 99 -25.931 29.925 37.191 1.00 0.00 N ATOM 1577 CA ALA A 99 -25.371 28.642 36.785 1.00 0.00 C ATOM 1578 C ALA A 99 -25.890 27.511 37.666 1.00 0.00 C ATOM 1579 O ALA A 99 -25.626 27.475 38.868 1.00 0.00 O ATOM 1580 CB ALA A 99 -23.851 28.692 36.828 1.00 0.00 C ATOM 0 H ALA A 99 -25.261 30.559 37.627 1.00 0.00 H new ATOM 0 HA ALA A 99 -25.689 28.444 35.761 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.446 27.727 36.522 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -23.493 29.467 36.150 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.523 28.918 37.843 1.00 0.00 H new ATOM 1586 N SER A 100 -26.631 26.589 37.061 1.00 0.00 N ATOM 1587 CA SER A 100 -27.188 25.456 37.789 1.00 0.00 C ATOM 1588 C SER A 100 -26.480 24.161 37.407 1.00 0.00 C ATOM 1589 O SER A 100 -26.106 23.368 38.270 1.00 0.00 O ATOM 1590 CB SER A 100 -28.688 25.332 37.512 1.00 0.00 C ATOM 1591 OG SER A 100 -29.234 24.193 38.154 1.00 0.00 O ATOM 0 H SER A 100 -26.860 26.605 36.067 1.00 0.00 H new ATOM 0 HA SER A 100 -27.035 25.631 38.854 1.00 0.00 H new ATOM 0 HB2 SER A 100 -29.200 26.229 37.859 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.858 25.264 36.437 1.00 0.00 H new ATOM 0 HG SER A 100 -30.193 24.138 37.962 1.00 0.00 H new ATOM 1597 N ASN A 101 -26.298 23.953 36.107 1.00 0.00 N ATOM 1598 CA ASN A 101 -25.634 22.755 35.609 1.00 0.00 C ATOM 1599 C ASN A 101 -24.148 23.011 35.380 1.00 0.00 C ATOM 1600 O ASN A 101 -23.306 22.186 35.731 1.00 0.00 O ATOM 1601 CB ASN A 101 -26.289 22.286 34.308 1.00 0.00 C ATOM 1602 CG ASN A 101 -26.226 23.338 33.218 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -26.170 24.536 33.497 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -26.237 22.895 31.965 1.00 0.00 N ATOM 0 H ASN A 101 -26.602 24.600 35.379 1.00 0.00 H new ATOM 0 HA ASN A 101 -25.738 21.974 36.362 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -25.795 21.378 33.962 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -27.330 22.028 34.501 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -26.198 23.557 31.190 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -26.284 21.893 31.779 1.00 0.00 H new ATOM 1611 N MET A 102 -23.835 24.163 34.792 1.00 0.00 N ATOM 1612 CA MET A 102 -22.450 24.534 34.514 1.00 0.00 C ATOM 1613 C MET A 102 -21.848 23.630 33.442 1.00 0.00 C ATOM 1614 O MET A 102 -21.596 24.067 32.320 1.00 0.00 O ATOM 1615 CB MET A 102 -21.610 24.462 35.792 1.00 0.00 C ATOM 1616 CG MET A 102 -20.641 25.622 35.948 1.00 0.00 C ATOM 1617 SD MET A 102 -20.118 25.864 37.656 1.00 0.00 S ATOM 1618 CE MET A 102 -18.546 25.006 37.655 1.00 0.00 C ATOM 0 H MET A 102 -24.523 24.857 34.498 1.00 0.00 H new ATOM 0 HA MET A 102 -22.444 25.559 34.144 1.00 0.00 H new ATOM 0 HB2 MET A 102 -22.276 24.438 36.654 1.00 0.00 H new ATOM 0 HB3 MET A 102 -21.049 23.527 35.796 1.00 0.00 H new ATOM 0 HG2 MET A 102 -19.764 25.444 35.325 1.00 0.00 H new ATOM 0 HG3 MET A 102 -21.111 26.535 35.583 1.00 0.00 H new ATOM 0 HE1 MET A 102 -18.097 25.067 38.646 1.00 0.00 H new ATOM 0 HE2 MET A 102 -18.703 23.960 37.392 1.00 0.00 H new ATOM 0 HE3 MET A 102 -17.880 25.468 36.926 1.00 0.00 H new ATOM 1628 N GLU A 103 -21.620 22.369 33.797 1.00 0.00 N ATOM 1629 CA GLU A 103 -21.048 21.407 32.864 1.00 0.00 C ATOM 1630 C GLU A 103 -21.658 20.024 33.067 1.00 0.00 C ATOM 1631 O GLU A 103 -21.042 19.144 33.668 1.00 0.00 O ATOM 1632 CB GLU A 103 -19.529 21.337 33.037 1.00 0.00 C ATOM 1633 CG GLU A 103 -18.781 21.034 31.748 1.00 0.00 C ATOM 1634 CD GLU A 103 -18.254 19.614 31.700 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -19.056 18.676 31.885 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -17.037 19.440 31.479 1.00 0.00 O ATOM 0 H GLU A 103 -21.823 21.991 34.723 1.00 0.00 H new ATOM 0 HA GLU A 103 -21.276 21.741 31.852 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.174 22.286 33.439 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.291 20.570 33.774 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.445 21.200 30.899 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.949 21.730 31.643 1.00 0.00 H new ATOM 1643 N ASN A 104 -22.875 19.840 32.564 1.00 0.00 N ATOM 1644 CA ASN A 104 -23.570 18.565 32.690 1.00 0.00 C ATOM 1645 C ASN A 104 -24.905 18.599 31.953 1.00 0.00 C ATOM 1646 O ASN A 104 -25.834 19.297 32.361 1.00 0.00 O ATOM 1647 CB ASN A 104 -23.798 18.229 34.164 1.00 0.00 C ATOM 1648 CG ASN A 104 -24.062 16.752 34.386 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -23.215 16.030 34.912 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -25.244 16.297 33.986 1.00 0.00 N ATOM 0 H ASN A 104 -23.400 20.559 32.065 1.00 0.00 H new ATOM 0 HA ASN A 104 -22.946 17.793 32.240 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -22.924 18.530 34.742 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -24.643 18.807 34.539 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -25.480 15.313 34.110 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -25.916 16.932 33.555 1.00 0.00 H new ATOM 1657 N ASN A 105 -24.994 17.842 30.865 1.00 0.00 N ATOM 1658 CA ASN A 105 -26.215 17.784 30.070 1.00 0.00 C ATOM 1659 C ASN A 105 -26.935 16.455 30.274 1.00 0.00 C ATOM 1660 O ASN A 105 -28.084 16.420 30.711 1.00 0.00 O ATOM 1661 CB ASN A 105 -25.894 17.981 28.588 1.00 0.00 C ATOM 1662 CG ASN A 105 -25.739 19.444 28.219 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -26.369 20.316 28.815 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -24.895 19.720 27.231 1.00 0.00 N ATOM 0 H ASN A 105 -24.234 17.259 30.513 1.00 0.00 H new ATOM 0 HA ASN A 105 -26.873 18.587 30.402 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -24.975 17.448 28.344 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -26.688 17.539 27.985 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -24.749 20.687 26.940 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -24.393 18.965 26.764 1.00 0.00 H new ATOM 1671 N GLU A 106 -26.249 15.362 29.952 1.00 0.00 N ATOM 1672 CA GLU A 106 -26.824 14.029 30.099 1.00 0.00 C ATOM 1673 C GLU A 106 -25.736 12.961 30.066 1.00 0.00 C ATOM 1674 O GLU A 106 -25.750 12.075 30.946 1.00 0.00 O ATOM 1675 CB GLU A 106 -27.847 13.767 28.993 1.00 0.00 C ATOM 1676 CG GLU A 106 -28.737 12.565 29.260 1.00 0.00 C ATOM 1677 CD GLU A 106 -29.563 12.720 30.522 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -30.025 13.847 30.795 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -29.748 11.713 31.237 1.00 0.00 O ATOM 1680 OXT GLU A 106 -24.878 13.019 29.159 1.00 0.00 O ATOM 0 H GLU A 106 -25.296 15.373 29.588 1.00 0.00 H new ATOM 0 HA GLU A 106 -27.325 13.981 31.066 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -28.472 14.651 28.871 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -27.320 13.616 28.051 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -29.403 12.415 28.410 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -28.119 11.671 29.342 1.00 0.00 H new TER 1687 GLU A 106