USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 71 THR OG1 : rot 180:sc=-0.00993 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 74 HIS : no HE2:sc= -0.104 K(o=-0.11,f=-1.3) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0.539 USER MOD Set 2.2: A 57 GLN : amide:sc= 0.0233 K(o=0.56,f=-0.27) USER MOD Set 3.1: A 8 ASN : amide:sc= 1.19 K(o=1.9,f=-3.1) USER MOD Set 3.2: A 83 LYS NZ :NH3+ -161:sc= 0.706 (180deg=0) USER MOD Set 4.1: A 3 THR OG1 : rot 49:sc= 0.913 USER MOD Set 4.2: A 82 LYS NZ :NH3+ 146:sc= 1.08 (180deg=0) USER MOD Set 5.1: A 2 GLN : amide:sc= 0.874 X(o=1.4,f=1.6) USER MOD Set 5.2: A 79 THR OG1 : rot 170:sc= 0.543 USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.00482 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.965 K(o=0.96,f=-0.016) USER MOD Single : A 9 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 15 ASN : amide:sc= 0.64 K(o=0.64,f=-0.25) USER MOD Single : A 20 THR OG1 : rot 86:sc= 1.01 USER MOD Single : A 21 ASN : amide:sc= 0.119 K(o=0.12,f=-2.5!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 86:sc= 1.25 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.507 K(o=-0.51,f=-4.2!) USER MOD Single : A 31 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 45 HIS : no HE2:sc= 0.325 K(o=0.32,f=-3!) USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.18 USER MOD Single : A 58 SER OG : rot 138:sc= 0.979 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 2.21 (180deg=2.16) USER MOD Single : A 66 GLN : amide:sc= 1.01 K(o=1,f=-0.22) USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.811) USER MOD Single : A 76 MET CE :methyl 180:sc= -0.167 (180deg=-0.167) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.383 -5.382 -2.792 1.00 0.00 N ATOM 2 CA ALA A 1 3.214 -4.214 -1.901 1.00 0.00 C ATOM 3 C ALA A 1 4.570 -3.812 -1.314 1.00 0.00 C ATOM 4 O ALA A 1 5.319 -4.668 -0.830 1.00 0.00 O ATOM 5 CB ALA A 1 2.193 -4.485 -0.782 1.00 0.00 C ATOM 0 H1 ALA A 1 2.589 -6.040 -2.657 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.404 -5.063 -3.782 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.275 -5.866 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 1 2.820 -3.390 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.101 -3.601 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.224 -4.719 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.530 -5.327 -0.178 1.00 0.00 H new ATOM 13 N GLN A 2 4.905 -2.516 -1.367 1.00 0.00 N ATOM 14 CA GLN A 2 6.134 -1.993 -0.770 1.00 0.00 C ATOM 15 C GLN A 2 6.090 -2.097 0.768 1.00 0.00 C ATOM 16 O GLN A 2 5.045 -2.386 1.357 1.00 0.00 O ATOM 17 CB GLN A 2 6.414 -0.560 -1.268 1.00 0.00 C ATOM 18 CG GLN A 2 5.433 0.503 -0.736 1.00 0.00 C ATOM 19 CD GLN A 2 5.728 1.921 -1.239 1.00 0.00 C ATOM 20 OE1 GLN A 2 4.823 2.656 -1.625 1.00 0.00 O ATOM 21 NE2 GLN A 2 6.978 2.353 -1.234 1.00 0.00 N ATOM 0 H GLN A 2 4.332 -1.806 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 2 6.973 -2.608 -1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.427 -0.279 -0.978 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.381 -0.554 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.419 0.227 -1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.464 0.500 0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.728 1.741 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.192 3.298 -1.551 1.00 0.00 H new ATOM 30 N THR A 3 7.219 -1.816 1.417 1.00 0.00 N ATOM 31 CA THR A 3 7.430 -2.007 2.850 1.00 0.00 C ATOM 32 C THR A 3 8.074 -0.736 3.417 1.00 0.00 C ATOM 33 O THR A 3 9.253 -0.719 3.775 1.00 0.00 O ATOM 34 CB THR A 3 8.242 -3.298 3.095 1.00 0.00 C ATOM 35 OG1 THR A 3 9.235 -3.491 2.097 1.00 0.00 O ATOM 36 CG2 THR A 3 7.347 -4.540 3.099 1.00 0.00 C ATOM 0 H THR A 3 8.039 -1.437 0.943 1.00 0.00 H new ATOM 0 HA THR A 3 6.489 -2.152 3.381 1.00 0.00 H new ATOM 0 HB THR A 3 8.710 -3.171 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.747 -2.664 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.956 -5.427 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.602 -4.449 3.890 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.845 -4.630 2.136 1.00 0.00 H new ATOM 44 N GLU A 4 7.313 0.366 3.425 1.00 0.00 N ATOM 45 CA GLU A 4 7.739 1.612 4.057 1.00 0.00 C ATOM 46 C GLU A 4 7.952 1.354 5.558 1.00 0.00 C ATOM 47 O GLU A 4 7.362 0.437 6.139 1.00 0.00 O ATOM 48 CB GLU A 4 6.715 2.735 3.794 1.00 0.00 C ATOM 49 CG GLU A 4 6.667 3.152 2.312 1.00 0.00 C ATOM 50 CD GLU A 4 5.634 4.262 2.039 1.00 0.00 C ATOM 51 OE1 GLU A 4 4.414 4.004 2.159 1.00 0.00 O ATOM 52 OE2 GLU A 4 6.035 5.395 1.684 1.00 0.00 O ATOM 0 H GLU A 4 6.390 0.415 2.994 1.00 0.00 H new ATOM 0 HA GLU A 4 8.682 1.950 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.726 2.401 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.966 3.602 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.654 3.496 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.428 2.281 1.701 1.00 0.00 H new ATOM 59 N GLN A 5 8.821 2.147 6.185 1.00 0.00 N ATOM 60 CA GLN A 5 9.329 1.957 7.541 1.00 0.00 C ATOM 61 C GLN A 5 9.594 3.340 8.159 1.00 0.00 C ATOM 62 O GLN A 5 9.552 4.340 7.433 1.00 0.00 O ATOM 63 CB GLN A 5 10.658 1.163 7.473 1.00 0.00 C ATOM 64 CG GLN A 5 10.528 -0.328 7.130 1.00 0.00 C ATOM 65 CD GLN A 5 9.798 -1.129 8.210 1.00 0.00 C ATOM 66 OE1 GLN A 5 10.409 -1.654 9.139 1.00 0.00 O ATOM 67 NE2 GLN A 5 8.484 -1.245 8.119 1.00 0.00 N ATOM 0 H GLN A 5 9.207 2.979 5.739 1.00 0.00 H new ATOM 0 HA GLN A 5 8.606 1.409 8.146 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.302 1.633 6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.163 1.253 8.435 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.995 -0.433 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.522 -0.749 6.983 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.986 -0.806 7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.969 -1.773 8.823 1.00 0.00 H new ATOM 76 N PRO A 6 9.914 3.429 9.464 1.00 0.00 N ATOM 77 CA PRO A 6 10.628 4.577 10.012 1.00 0.00 C ATOM 78 C PRO A 6 11.868 4.938 9.160 1.00 0.00 C ATOM 79 O PRO A 6 12.452 4.042 8.538 1.00 0.00 O ATOM 80 CB PRO A 6 11.012 4.180 11.441 1.00 0.00 C ATOM 81 CG PRO A 6 9.945 3.152 11.818 1.00 0.00 C ATOM 82 CD PRO A 6 9.686 2.429 10.498 1.00 0.00 C ATOM 0 HA PRO A 6 10.008 5.473 10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.014 3.754 11.485 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.000 5.037 12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.298 2.469 12.590 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.043 3.628 12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.356 1.578 10.377 1.00 0.00 H new ATOM 0 HD3 PRO A 6 8.668 2.042 10.454 1.00 0.00 H new ATOM 90 N PRO A 7 12.286 6.219 9.125 1.00 0.00 N ATOM 91 CA PRO A 7 13.384 6.693 8.288 1.00 0.00 C ATOM 92 C PRO A 7 14.680 5.876 8.373 1.00 0.00 C ATOM 93 O PRO A 7 15.070 5.411 9.449 1.00 0.00 O ATOM 94 CB PRO A 7 13.618 8.144 8.715 1.00 0.00 C ATOM 95 CG PRO A 7 12.233 8.604 9.153 1.00 0.00 C ATOM 96 CD PRO A 7 11.651 7.348 9.796 1.00 0.00 C ATOM 0 HA PRO A 7 13.101 6.588 7.241 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.341 8.213 9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.002 8.749 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.286 9.433 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.633 8.942 8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.853 7.329 10.867 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.568 7.314 9.675 1.00 0.00 H new ATOM 104 N ASN A 8 15.393 5.782 7.244 1.00 0.00 N ATOM 105 CA ASN A 8 16.744 5.235 7.129 1.00 0.00 C ATOM 106 C ASN A 8 17.488 6.028 6.048 1.00 0.00 C ATOM 107 O ASN A 8 16.862 6.512 5.107 1.00 0.00 O ATOM 108 CB ASN A 8 16.692 3.740 6.758 1.00 0.00 C ATOM 109 CG ASN A 8 18.093 3.183 6.539 1.00 0.00 C ATOM 110 OD1 ASN A 8 19.032 3.515 7.262 1.00 0.00 O ATOM 111 ND2 ASN A 8 18.283 2.389 5.506 1.00 0.00 N ATOM 0 H ASN A 8 15.025 6.100 6.348 1.00 0.00 H new ATOM 0 HA ASN A 8 17.264 5.322 8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 8 16.195 3.182 7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.098 3.606 5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 8 19.218 2.040 5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.495 2.122 4.916 1.00 0.00 H new ATOM 118 N GLN A 9 18.813 6.162 6.156 1.00 0.00 N ATOM 119 CA GLN A 9 19.652 6.948 5.243 1.00 0.00 C ATOM 120 C GLN A 9 19.895 6.270 3.881 1.00 0.00 C ATOM 121 O GLN A 9 20.708 6.758 3.095 1.00 0.00 O ATOM 122 CB GLN A 9 20.964 7.341 5.948 1.00 0.00 C ATOM 123 CG GLN A 9 21.970 6.191 6.119 1.00 0.00 C ATOM 124 CD GLN A 9 23.224 6.646 6.868 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.475 6.235 7.998 1.00 0.00 O ATOM 126 NE2 GLN A 9 24.035 7.499 6.263 1.00 0.00 N ATOM 0 H GLN A 9 19.348 5.715 6.901 1.00 0.00 H new ATOM 0 HA GLN A 9 19.100 7.855 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.440 8.141 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.725 7.746 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 9 21.498 5.372 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.251 5.804 5.140 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.816 7.833 5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.879 7.822 6.735 1.00 0.00 H new ATOM 135 N ILE A 10 19.235 5.144 3.595 1.00 0.00 N ATOM 136 CA ILE A 10 19.329 4.426 2.328 1.00 0.00 C ATOM 137 C ILE A 10 17.889 4.146 1.914 1.00 0.00 C ATOM 138 O ILE A 10 17.038 3.825 2.753 1.00 0.00 O ATOM 139 CB ILE A 10 20.185 3.134 2.442 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.562 3.418 3.090 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.370 2.465 1.060 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.453 2.185 3.279 1.00 0.00 C ATOM 0 H ILE A 10 18.604 4.697 4.260 1.00 0.00 H new ATOM 0 HA ILE A 10 19.846 5.016 1.572 1.00 0.00 H new ATOM 0 HB ILE A 10 19.643 2.446 3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 10 22.095 4.142 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.401 3.884 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.973 1.564 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.395 2.202 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.873 3.158 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.395 2.484 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 10 21.947 1.466 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.652 1.728 2.310 1.00 0.00 H new ATOM 154 N LEU A 11 17.618 4.260 0.619 1.00 0.00 N ATOM 155 CA LEU A 11 16.305 4.137 0.013 1.00 0.00 C ATOM 156 C LEU A 11 16.396 3.064 -1.063 1.00 0.00 C ATOM 157 O LEU A 11 17.437 2.927 -1.709 1.00 0.00 O ATOM 158 CB LEU A 11 15.883 5.477 -0.620 1.00 0.00 C ATOM 159 CG LEU A 11 15.845 6.691 0.328 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.480 7.957 -0.454 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.855 6.467 1.473 1.00 0.00 C ATOM 0 H LEU A 11 18.347 4.450 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 11 15.563 3.869 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.568 5.701 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.893 5.353 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 11 16.837 6.815 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.456 8.810 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.225 8.132 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.500 7.831 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.850 7.340 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.856 6.313 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.153 5.588 2.045 1.00 0.00 H new ATOM 173 N PHE A 12 15.298 2.351 -1.282 1.00 0.00 N ATOM 174 CA PHE A 12 15.110 1.433 -2.391 1.00 0.00 C ATOM 175 C PHE A 12 13.974 2.009 -3.218 1.00 0.00 C ATOM 176 O PHE A 12 12.975 2.482 -2.673 1.00 0.00 O ATOM 177 CB PHE A 12 14.757 0.032 -1.884 1.00 0.00 C ATOM 178 CG PHE A 12 14.433 -0.952 -2.997 1.00 0.00 C ATOM 179 CD1 PHE A 12 15.396 -1.237 -3.983 1.00 0.00 C ATOM 180 CD2 PHE A 12 13.171 -1.576 -3.067 1.00 0.00 C ATOM 181 CE1 PHE A 12 15.126 -2.170 -4.998 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.910 -2.530 -4.068 1.00 0.00 C ATOM 183 CZ PHE A 12 13.887 -2.828 -5.035 1.00 0.00 C ATOM 0 H PHE A 12 14.486 2.400 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 12 16.021 1.329 -2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.591 -0.355 -1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.902 0.102 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.351 -0.734 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 12 12.403 -1.322 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.872 -2.381 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.956 -3.035 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.685 -3.560 -5.803 1.00 0.00 H new ATOM 193 N LEU A 13 14.136 2.012 -4.532 1.00 0.00 N ATOM 194 CA LEU A 13 13.259 2.706 -5.454 1.00 0.00 C ATOM 195 C LEU A 13 12.819 1.709 -6.507 1.00 0.00 C ATOM 196 O LEU A 13 13.602 0.845 -6.897 1.00 0.00 O ATOM 197 CB LEU A 13 14.010 3.862 -6.125 1.00 0.00 C ATOM 198 CG LEU A 13 14.032 5.186 -5.346 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.923 5.141 -4.098 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.577 6.266 -6.283 1.00 0.00 C ATOM 0 H LEU A 13 14.900 1.519 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 13 12.399 3.115 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.039 3.548 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.561 4.044 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 13 13.016 5.390 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.893 6.107 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.561 4.368 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.948 4.916 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.606 7.221 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.584 5.997 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.930 6.350 -7.156 1.00 0.00 H new ATOM 212 N THR A 14 11.591 1.861 -6.980 1.00 0.00 N ATOM 213 CA THR A 14 10.913 0.942 -7.882 1.00 0.00 C ATOM 214 C THR A 14 10.040 1.734 -8.872 1.00 0.00 C ATOM 215 O THR A 14 9.901 2.957 -8.759 1.00 0.00 O ATOM 216 CB THR A 14 10.096 -0.070 -7.043 1.00 0.00 C ATOM 217 OG1 THR A 14 9.326 0.587 -6.055 1.00 0.00 O ATOM 218 CG2 THR A 14 10.974 -1.069 -6.288 1.00 0.00 C ATOM 0 H THR A 14 11.014 2.665 -6.734 1.00 0.00 H new ATOM 0 HA THR A 14 11.633 0.379 -8.476 1.00 0.00 H new ATOM 0 HB THR A 14 9.472 -0.590 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.819 -0.076 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.342 -1.751 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.573 -1.637 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.633 -0.531 -5.607 1.00 0.00 H new ATOM 226 N ASN A 15 9.437 1.036 -9.847 1.00 0.00 N ATOM 227 CA ASN A 15 8.608 1.604 -10.918 1.00 0.00 C ATOM 228 C ASN A 15 9.334 2.690 -11.732 1.00 0.00 C ATOM 229 O ASN A 15 8.715 3.593 -12.297 1.00 0.00 O ATOM 230 CB ASN A 15 7.256 2.071 -10.349 1.00 0.00 C ATOM 231 CG ASN A 15 6.234 2.361 -11.447 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.916 1.494 -12.258 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.674 3.558 -11.482 1.00 0.00 N ATOM 0 H ASN A 15 9.518 0.021 -9.912 1.00 0.00 H new ATOM 0 HA ASN A 15 8.408 0.814 -11.642 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.861 1.305 -9.681 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.407 2.969 -9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.969 3.771 -12.188 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.947 4.269 -10.803 1.00 0.00 H new ATOM 240 N LEU A 16 10.666 2.627 -11.774 1.00 0.00 N ATOM 241 CA LEU A 16 11.516 3.566 -12.499 1.00 0.00 C ATOM 242 C LEU A 16 11.455 3.239 -14.001 1.00 0.00 C ATOM 243 O LEU A 16 10.988 2.149 -14.355 1.00 0.00 O ATOM 244 CB LEU A 16 12.959 3.486 -11.957 1.00 0.00 C ATOM 245 CG LEU A 16 13.093 3.444 -10.424 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.562 3.292 -10.043 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.504 4.689 -9.750 1.00 0.00 C ATOM 0 H LEU A 16 11.195 1.901 -11.291 1.00 0.00 H new ATOM 0 HA LEU A 16 11.164 4.587 -12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.434 2.596 -12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.516 4.346 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 16 12.522 2.586 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.655 3.262 -8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.954 2.367 -10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.128 4.138 -10.433 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.624 4.609 -8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.024 5.577 -10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.444 4.767 -9.992 1.00 0.00 H new ATOM 259 N PRO A 17 11.895 4.142 -14.896 1.00 0.00 N ATOM 260 CA PRO A 17 12.074 3.837 -16.309 1.00 0.00 C ATOM 261 C PRO A 17 12.867 2.539 -16.506 1.00 0.00 C ATOM 262 O PRO A 17 13.821 2.257 -15.776 1.00 0.00 O ATOM 263 CB PRO A 17 12.807 5.031 -16.921 1.00 0.00 C ATOM 264 CG PRO A 17 12.536 6.186 -15.964 1.00 0.00 C ATOM 265 CD PRO A 17 12.188 5.539 -14.627 1.00 0.00 C ATOM 0 HA PRO A 17 11.111 3.678 -16.795 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.875 4.835 -17.012 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.437 5.252 -17.922 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.410 6.831 -15.871 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.716 6.808 -16.323 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.018 5.631 -13.926 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.330 6.033 -14.171 1.00 0.00 H new ATOM 273 N GLU A 18 12.575 1.808 -17.581 1.00 0.00 N ATOM 274 CA GLU A 18 13.382 0.660 -18.011 1.00 0.00 C ATOM 275 C GLU A 18 14.730 1.112 -18.610 1.00 0.00 C ATOM 276 O GLU A 18 15.473 0.299 -19.160 1.00 0.00 O ATOM 277 CB GLU A 18 12.575 -0.200 -19.000 1.00 0.00 C ATOM 278 CG GLU A 18 11.332 -0.824 -18.346 1.00 0.00 C ATOM 279 CD GLU A 18 10.583 -1.744 -19.327 1.00 0.00 C ATOM 280 OE1 GLU A 18 9.687 -1.266 -20.058 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.868 -2.963 -19.367 1.00 0.00 O ATOM 0 H GLU A 18 11.771 1.993 -18.181 1.00 0.00 H new ATOM 0 HA GLU A 18 13.619 0.050 -17.139 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.268 0.414 -19.847 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.212 -0.992 -19.394 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.630 -1.394 -17.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.664 -0.034 -18.004 1.00 0.00 H new ATOM 288 N GLU A 19 15.055 2.405 -18.501 1.00 0.00 N ATOM 289 CA GLU A 19 16.214 3.065 -19.068 1.00 0.00 C ATOM 290 C GLU A 19 16.856 4.032 -18.052 1.00 0.00 C ATOM 291 O GLU A 19 17.683 4.864 -18.432 1.00 0.00 O ATOM 292 CB GLU A 19 15.814 3.802 -20.364 1.00 0.00 C ATOM 293 CG GLU A 19 15.055 2.935 -21.381 1.00 0.00 C ATOM 294 CD GLU A 19 14.850 3.678 -22.713 1.00 0.00 C ATOM 295 OE1 GLU A 19 13.841 4.405 -22.866 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.685 3.531 -23.634 1.00 0.00 O ATOM 0 H GLU A 19 14.468 3.054 -17.976 1.00 0.00 H new ATOM 0 HA GLU A 19 16.961 2.310 -19.313 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.194 4.660 -20.103 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.715 4.192 -20.838 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.608 2.013 -21.559 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.087 2.652 -20.968 1.00 0.00 H new ATOM 303 N THR A 20 16.464 3.963 -16.771 1.00 0.00 N ATOM 304 CA THR A 20 17.039 4.772 -15.696 1.00 0.00 C ATOM 305 C THR A 20 18.547 4.525 -15.644 1.00 0.00 C ATOM 306 O THR A 20 19.017 3.403 -15.857 1.00 0.00 O ATOM 307 CB THR A 20 16.376 4.428 -14.350 1.00 0.00 C ATOM 308 OG1 THR A 20 14.987 4.319 -14.509 1.00 0.00 O ATOM 309 CG2 THR A 20 16.579 5.526 -13.303 1.00 0.00 C ATOM 0 H THR A 20 15.728 3.333 -16.452 1.00 0.00 H new ATOM 0 HA THR A 20 16.856 5.829 -15.892 1.00 0.00 H new ATOM 0 HB THR A 20 16.837 3.496 -14.022 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.761 3.409 -14.792 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.093 5.235 -12.372 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.645 5.668 -13.127 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.144 6.458 -13.664 1.00 0.00 H new ATOM 317 N ASN A 21 19.303 5.573 -15.326 1.00 0.00 N ATOM 318 CA ASN A 21 20.747 5.521 -15.201 1.00 0.00 C ATOM 319 C ASN A 21 21.121 6.279 -13.934 1.00 0.00 C ATOM 320 O ASN A 21 20.371 7.152 -13.490 1.00 0.00 O ATOM 321 CB ASN A 21 21.397 6.124 -16.458 1.00 0.00 C ATOM 322 CG ASN A 21 22.922 6.053 -16.435 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.514 5.184 -15.803 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.589 6.978 -17.101 1.00 0.00 N ATOM 0 H ASN A 21 18.915 6.499 -15.145 1.00 0.00 H new ATOM 0 HA ASN A 21 21.110 4.496 -15.122 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.028 5.598 -17.339 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.089 7.165 -16.556 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.609 6.976 -17.094 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.084 7.695 -17.622 1.00 0.00 H new ATOM 331 N GLU A 22 22.278 5.961 -13.360 1.00 0.00 N ATOM 332 CA GLU A 22 22.773 6.532 -12.112 1.00 0.00 C ATOM 333 C GLU A 22 22.826 8.056 -12.195 1.00 0.00 C ATOM 334 O GLU A 22 22.475 8.745 -11.237 1.00 0.00 O ATOM 335 CB GLU A 22 24.146 5.902 -11.832 1.00 0.00 C ATOM 336 CG GLU A 22 24.637 6.135 -10.401 1.00 0.00 C ATOM 337 CD GLU A 22 26.014 5.482 -10.171 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.117 4.233 -10.182 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.016 6.215 -10.008 1.00 0.00 O ATOM 0 H GLU A 22 22.917 5.277 -13.764 1.00 0.00 H new ATOM 0 HA GLU A 22 22.102 6.308 -11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.092 4.830 -12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.876 6.312 -12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.702 7.205 -10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.915 5.725 -9.695 1.00 0.00 H new ATOM 346 N MET A 23 23.184 8.580 -13.366 1.00 0.00 N ATOM 347 CA MET A 23 23.250 10.011 -13.632 1.00 0.00 C ATOM 348 C MET A 23 21.885 10.673 -13.463 1.00 0.00 C ATOM 349 O MET A 23 21.811 11.748 -12.874 1.00 0.00 O ATOM 350 CB MET A 23 23.791 10.267 -15.048 1.00 0.00 C ATOM 351 CG MET A 23 25.294 9.997 -15.176 1.00 0.00 C ATOM 352 SD MET A 23 25.842 8.268 -15.050 1.00 0.00 S ATOM 353 CE MET A 23 27.630 8.502 -15.250 1.00 0.00 C ATOM 0 H MET A 23 23.441 8.008 -14.171 1.00 0.00 H new ATOM 0 HA MET A 23 23.931 10.453 -12.905 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.253 9.636 -15.755 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.589 11.301 -15.326 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.627 10.387 -16.138 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.807 10.571 -14.404 1.00 0.00 H new ATOM 0 HE1 MET A 23 28.131 7.536 -15.199 1.00 0.00 H new ATOM 0 HE2 MET A 23 27.831 8.964 -16.217 1.00 0.00 H new ATOM 0 HE3 MET A 23 28.004 9.147 -14.455 1.00 0.00 H new ATOM 363 N MET A 24 20.808 10.034 -13.933 1.00 0.00 N ATOM 364 CA MET A 24 19.458 10.602 -13.848 1.00 0.00 C ATOM 365 C MET A 24 19.113 10.850 -12.390 1.00 0.00 C ATOM 366 O MET A 24 18.796 11.967 -11.983 1.00 0.00 O ATOM 367 CB MET A 24 18.378 9.685 -14.454 1.00 0.00 C ATOM 368 CG MET A 24 18.564 9.443 -15.947 1.00 0.00 C ATOM 369 SD MET A 24 17.241 8.446 -16.682 1.00 0.00 S ATOM 370 CE MET A 24 17.898 8.254 -18.360 1.00 0.00 C ATOM 0 H MET A 24 20.846 9.117 -14.379 1.00 0.00 H new ATOM 0 HA MET A 24 19.467 11.528 -14.423 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.390 8.728 -13.933 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.397 10.128 -14.284 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.614 10.403 -16.460 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.519 8.944 -16.111 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.205 7.661 -18.956 1.00 0.00 H new ATOM 0 HE2 MET A 24 18.021 9.236 -18.817 1.00 0.00 H new ATOM 0 HE3 MET A 24 18.863 7.750 -18.317 1.00 0.00 H new ATOM 380 N LEU A 25 19.208 9.788 -11.594 1.00 0.00 N ATOM 381 CA LEU A 25 18.801 9.854 -10.204 1.00 0.00 C ATOM 382 C LEU A 25 19.764 10.726 -9.408 1.00 0.00 C ATOM 383 O LEU A 25 19.324 11.385 -8.470 1.00 0.00 O ATOM 384 CB LEU A 25 18.739 8.454 -9.592 1.00 0.00 C ATOM 385 CG LEU A 25 17.690 7.506 -10.200 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.460 6.333 -9.240 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.359 8.203 -10.505 1.00 0.00 C ATOM 0 H LEU A 25 19.562 8.879 -11.891 1.00 0.00 H new ATOM 0 HA LEU A 25 17.806 10.297 -10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.721 7.991 -9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.538 8.552 -8.525 1.00 0.00 H new ATOM 0 HG LEU A 25 18.081 7.152 -11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.718 5.656 -9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.397 5.796 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.102 6.711 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.661 7.483 -10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.942 8.611 -9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.526 9.012 -11.217 1.00 0.00 H new ATOM 399 N SER A 26 21.045 10.776 -9.787 1.00 0.00 N ATOM 400 CA SER A 26 21.987 11.708 -9.186 1.00 0.00 C ATOM 401 C SER A 26 21.478 13.133 -9.376 1.00 0.00 C ATOM 402 O SER A 26 21.331 13.851 -8.397 1.00 0.00 O ATOM 403 CB SER A 26 23.395 11.547 -9.770 1.00 0.00 C ATOM 404 OG SER A 26 23.894 10.244 -9.555 1.00 0.00 O ATOM 0 H SER A 26 21.448 10.178 -10.509 1.00 0.00 H new ATOM 0 HA SER A 26 22.060 11.489 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.374 11.759 -10.839 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.066 12.275 -9.314 1.00 0.00 H new ATOM 0 HG SER A 26 23.594 9.655 -10.279 1.00 0.00 H new ATOM 410 N MET A 27 21.130 13.535 -10.599 1.00 0.00 N ATOM 411 CA MET A 27 20.635 14.891 -10.859 1.00 0.00 C ATOM 412 C MET A 27 19.333 15.158 -10.111 1.00 0.00 C ATOM 413 O MET A 27 19.095 16.285 -9.676 1.00 0.00 O ATOM 414 CB MET A 27 20.409 15.124 -12.357 1.00 0.00 C ATOM 415 CG MET A 27 21.717 15.042 -13.136 1.00 0.00 C ATOM 416 SD MET A 27 22.930 16.338 -12.758 1.00 0.00 S ATOM 417 CE MET A 27 24.338 15.676 -13.687 1.00 0.00 C ATOM 0 H MET A 27 21.181 12.942 -11.427 1.00 0.00 H new ATOM 0 HA MET A 27 21.400 15.580 -10.502 1.00 0.00 H new ATOM 0 HB2 MET A 27 19.708 14.382 -12.740 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.953 16.102 -12.510 1.00 0.00 H new ATOM 0 HG2 MET A 27 22.175 14.072 -12.943 1.00 0.00 H new ATOM 0 HG3 MET A 27 21.489 15.081 -14.201 1.00 0.00 H new ATOM 0 HE1 MET A 27 25.193 16.343 -13.576 1.00 0.00 H new ATOM 0 HE2 MET A 27 24.596 14.689 -13.303 1.00 0.00 H new ATOM 0 HE3 MET A 27 24.074 15.597 -14.741 1.00 0.00 H new ATOM 427 N LEU A 28 18.486 14.136 -9.970 1.00 0.00 N ATOM 428 CA LEU A 28 17.219 14.298 -9.254 1.00 0.00 C ATOM 429 C LEU A 28 17.445 14.515 -7.759 1.00 0.00 C ATOM 430 O LEU A 28 16.937 15.491 -7.205 1.00 0.00 O ATOM 431 CB LEU A 28 16.250 13.131 -9.509 1.00 0.00 C ATOM 432 CG LEU A 28 15.694 13.075 -10.948 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.753 11.877 -11.098 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.942 14.348 -11.357 1.00 0.00 C ATOM 0 H LEU A 28 18.651 13.199 -10.337 1.00 0.00 H new ATOM 0 HA LEU A 28 16.746 15.195 -9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.762 12.194 -9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.416 13.207 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 28 16.558 12.978 -11.606 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.365 11.844 -12.116 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.299 10.957 -10.888 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.924 11.975 -10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.577 14.243 -12.379 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.098 14.504 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.615 15.203 -11.298 1.00 0.00 H new ATOM 446 N PHE A 29 18.199 13.638 -7.100 1.00 0.00 N ATOM 447 CA PHE A 29 18.325 13.676 -5.643 1.00 0.00 C ATOM 448 C PHE A 29 19.455 14.591 -5.154 1.00 0.00 C ATOM 449 O PHE A 29 19.380 15.079 -4.028 1.00 0.00 O ATOM 450 CB PHE A 29 18.520 12.261 -5.091 1.00 0.00 C ATOM 451 CG PHE A 29 17.264 11.414 -5.037 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.868 10.633 -6.138 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.500 11.386 -3.855 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.714 9.837 -6.055 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.348 10.589 -3.768 1.00 0.00 C ATOM 456 CZ PHE A 29 14.954 9.818 -4.872 1.00 0.00 C ATOM 0 H PHE A 29 18.731 12.893 -7.550 1.00 0.00 H new ATOM 0 HA PHE A 29 17.395 14.099 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.260 11.747 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.934 12.334 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.451 10.646 -7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.803 11.983 -3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.410 9.239 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.768 10.569 -2.857 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.065 9.208 -4.813 1.00 0.00 H new ATOM 466 N ASN A 30 20.485 14.880 -5.954 1.00 0.00 N ATOM 467 CA ASN A 30 21.615 15.711 -5.518 1.00 0.00 C ATOM 468 C ASN A 30 21.208 17.159 -5.204 1.00 0.00 C ATOM 469 O ASN A 30 22.005 17.908 -4.639 1.00 0.00 O ATOM 470 CB ASN A 30 22.806 15.663 -6.498 1.00 0.00 C ATOM 471 CG ASN A 30 22.676 16.481 -7.789 1.00 0.00 C ATOM 472 OD1 ASN A 30 21.739 17.241 -8.010 1.00 0.00 O ATOM 473 ND2 ASN A 30 23.643 16.351 -8.685 1.00 0.00 N ATOM 0 H ASN A 30 20.561 14.548 -6.916 1.00 0.00 H new ATOM 0 HA ASN A 30 21.953 15.266 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.695 16.005 -5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.978 14.622 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.607 16.882 -9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.424 15.720 -8.505 1.00 0.00 H new ATOM 480 N GLN A 31 19.975 17.551 -5.553 1.00 0.00 N ATOM 481 CA GLN A 31 19.375 18.819 -5.179 1.00 0.00 C ATOM 482 C GLN A 31 19.295 18.965 -3.654 1.00 0.00 C ATOM 483 O GLN A 31 19.409 20.081 -3.143 1.00 0.00 O ATOM 484 CB GLN A 31 17.963 18.922 -5.784 1.00 0.00 C ATOM 485 CG GLN A 31 17.953 18.884 -7.319 1.00 0.00 C ATOM 486 CD GLN A 31 16.535 19.046 -7.866 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.119 20.134 -8.259 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.751 17.979 -7.890 1.00 0.00 N ATOM 0 H GLN A 31 19.357 16.970 -6.120 1.00 0.00 H new ATOM 0 HA GLN A 31 20.002 19.622 -5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.352 18.103 -5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.498 19.849 -5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.589 19.678 -7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.374 17.940 -7.665 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.103 17.080 -7.562 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.795 18.056 -8.236 1.00 0.00 H new ATOM 497 N PHE A 32 19.089 17.862 -2.922 1.00 0.00 N ATOM 498 CA PHE A 32 18.957 17.901 -1.470 1.00 0.00 C ATOM 499 C PHE A 32 20.360 17.968 -0.851 1.00 0.00 C ATOM 500 O PHE A 32 21.228 17.195 -1.266 1.00 0.00 O ATOM 501 CB PHE A 32 18.186 16.668 -0.970 1.00 0.00 C ATOM 502 CG PHE A 32 16.850 16.475 -1.672 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.811 17.414 -1.510 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.668 15.395 -2.554 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.621 17.284 -2.252 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.485 15.265 -3.295 1.00 0.00 C ATOM 507 CZ PHE A 32 14.466 16.218 -3.155 1.00 0.00 C ATOM 0 H PHE A 32 19.010 16.927 -3.321 1.00 0.00 H new ATOM 0 HA PHE A 32 18.391 18.783 -1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.799 15.779 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 32 18.016 16.763 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.928 18.234 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.449 14.657 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.826 18.005 -2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.359 14.433 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.563 16.133 -3.741 1.00 0.00 H new ATOM 517 N PRO A 33 20.598 18.809 0.175 1.00 0.00 N ATOM 518 CA PRO A 33 21.917 19.028 0.779 1.00 0.00 C ATOM 519 C PRO A 33 22.400 17.852 1.658 1.00 0.00 C ATOM 520 O PRO A 33 23.218 18.040 2.563 1.00 0.00 O ATOM 521 CB PRO A 33 21.776 20.351 1.548 1.00 0.00 C ATOM 522 CG PRO A 33 20.312 20.357 1.973 1.00 0.00 C ATOM 523 CD PRO A 33 19.616 19.699 0.785 1.00 0.00 C ATOM 0 HA PRO A 33 22.699 19.085 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.444 20.389 2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.016 21.209 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.156 19.797 2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 33 19.945 21.368 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.736 19.143 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.274 20.448 0.071 1.00 0.00 H new ATOM 531 N GLY A 34 21.905 16.636 1.407 1.00 0.00 N ATOM 532 CA GLY A 34 22.240 15.427 2.142 1.00 0.00 C ATOM 533 C GLY A 34 22.405 14.202 1.254 1.00 0.00 C ATOM 534 O GLY A 34 22.808 13.165 1.778 1.00 0.00 O ATOM 0 H GLY A 34 21.235 16.468 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.165 15.592 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.460 15.230 2.877 1.00 0.00 H new ATOM 538 N PHE A 35 22.112 14.282 -0.049 1.00 0.00 N ATOM 539 CA PHE A 35 22.384 13.203 -0.985 1.00 0.00 C ATOM 540 C PHE A 35 23.879 12.898 -0.955 1.00 0.00 C ATOM 541 O PHE A 35 24.714 13.795 -0.787 1.00 0.00 O ATOM 542 CB PHE A 35 21.928 13.629 -2.389 1.00 0.00 C ATOM 543 CG PHE A 35 22.490 12.830 -3.560 1.00 0.00 C ATOM 544 CD1 PHE A 35 23.743 13.173 -4.112 1.00 0.00 C ATOM 545 CD2 PHE A 35 21.745 11.789 -4.149 1.00 0.00 C ATOM 546 CE1 PHE A 35 24.238 12.485 -5.233 1.00 0.00 C ATOM 547 CE2 PHE A 35 22.221 11.132 -5.297 1.00 0.00 C ATOM 548 CZ PHE A 35 23.474 11.471 -5.831 1.00 0.00 C ATOM 0 H PHE A 35 21.679 15.100 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 35 21.838 12.301 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 35 20.840 13.570 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.195 14.676 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 35 24.325 13.969 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.801 11.494 -3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 35 25.208 12.737 -5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 35 21.623 10.366 -5.768 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.850 10.952 -6.701 1.00 0.00 H new ATOM 558 N LYS A 36 24.201 11.629 -1.177 1.00 0.00 N ATOM 559 CA LYS A 36 25.568 11.140 -1.247 1.00 0.00 C ATOM 560 C LYS A 36 25.772 10.321 -2.506 1.00 0.00 C ATOM 561 O LYS A 36 26.744 10.584 -3.216 1.00 0.00 O ATOM 562 CB LYS A 36 25.915 10.306 -0.006 1.00 0.00 C ATOM 563 CG LYS A 36 26.026 11.176 1.256 1.00 0.00 C ATOM 564 CD LYS A 36 26.488 10.394 2.494 1.00 0.00 C ATOM 565 CE LYS A 36 27.872 9.780 2.270 1.00 0.00 C ATOM 566 NZ LYS A 36 28.412 9.118 3.485 1.00 0.00 N ATOM 0 H LYS A 36 23.503 10.898 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 36 26.236 12.001 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 36 25.151 9.544 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.857 9.784 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.726 11.990 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.057 11.630 1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.516 11.058 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 36 25.769 9.607 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.815 9.052 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.563 10.560 1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 29.350 8.720 3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.495 9.815 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 27.770 8.354 3.779 1.00 0.00 H new ATOM 580 N GLU A 37 24.908 9.344 -2.798 1.00 0.00 N ATOM 581 CA GLU A 37 25.148 8.457 -3.932 1.00 0.00 C ATOM 582 C GLU A 37 23.858 7.750 -4.346 1.00 0.00 C ATOM 583 O GLU A 37 22.827 7.852 -3.679 1.00 0.00 O ATOM 584 CB GLU A 37 26.254 7.435 -3.567 1.00 0.00 C ATOM 585 CG GLU A 37 27.110 7.038 -4.781 1.00 0.00 C ATOM 586 CD GLU A 37 28.239 6.071 -4.392 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.944 4.885 -4.119 1.00 0.00 O ATOM 588 OE2 GLU A 37 29.421 6.484 -4.360 1.00 0.00 O ATOM 0 H GLU A 37 24.054 9.152 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 37 25.486 9.048 -4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.897 7.860 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.794 6.542 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.476 6.572 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.538 7.933 -5.232 1.00 0.00 H new ATOM 595 N VAL A 38 23.928 7.001 -5.441 1.00 0.00 N ATOM 596 CA VAL A 38 22.876 6.147 -5.958 1.00 0.00 C ATOM 597 C VAL A 38 23.557 5.012 -6.727 1.00 0.00 C ATOM 598 O VAL A 38 24.688 5.166 -7.194 1.00 0.00 O ATOM 599 CB VAL A 38 21.870 6.989 -6.783 1.00 0.00 C ATOM 600 CG1 VAL A 38 22.518 8.059 -7.672 1.00 0.00 C ATOM 601 CG2 VAL A 38 20.934 6.156 -7.667 1.00 0.00 C ATOM 0 H VAL A 38 24.768 6.975 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 38 22.272 5.694 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 38 21.291 7.478 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.742 8.601 -8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.081 8.756 -7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 38 23.191 7.582 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.262 6.819 -8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 38 21.524 5.576 -8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 38 20.350 5.480 -7.043 1.00 0.00 H new ATOM 611 N ARG A 39 22.878 3.869 -6.839 1.00 0.00 N ATOM 612 CA ARG A 39 23.313 2.688 -7.569 1.00 0.00 C ATOM 613 C ARG A 39 22.101 2.178 -8.336 1.00 0.00 C ATOM 614 O ARG A 39 20.976 2.242 -7.832 1.00 0.00 O ATOM 615 CB ARG A 39 23.842 1.595 -6.614 1.00 0.00 C ATOM 616 CG ARG A 39 25.015 2.028 -5.713 1.00 0.00 C ATOM 617 CD ARG A 39 24.546 2.542 -4.344 1.00 0.00 C ATOM 618 NE ARG A 39 25.639 3.196 -3.605 1.00 0.00 N ATOM 619 CZ ARG A 39 25.695 3.399 -2.285 1.00 0.00 C ATOM 620 NH1 ARG A 39 24.763 2.931 -1.461 1.00 0.00 N ATOM 621 NH2 ARG A 39 26.707 4.104 -1.808 1.00 0.00 N ATOM 0 H ARG A 39 21.966 3.741 -6.400 1.00 0.00 H new ATOM 0 HA ARG A 39 24.134 2.940 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 39 23.021 1.260 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 39 24.157 0.737 -7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 39 25.689 1.184 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 39 25.585 2.809 -6.215 1.00 0.00 H new ATOM 0 HD2 ARG A 39 23.726 3.247 -4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 39 24.156 1.710 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 39 26.432 3.527 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.975 2.399 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 39 24.836 3.104 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.415 4.474 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 39 26.780 4.278 -0.806 1.00 0.00 H new ATOM 635 N LEU A 40 22.326 1.664 -9.541 1.00 0.00 N ATOM 636 CA LEU A 40 21.287 1.130 -10.418 1.00 0.00 C ATOM 637 C LEU A 40 21.469 -0.380 -10.520 1.00 0.00 C ATOM 638 O LEU A 40 22.499 -0.928 -10.118 1.00 0.00 O ATOM 639 CB LEU A 40 21.375 1.799 -11.814 1.00 0.00 C ATOM 640 CG LEU A 40 20.418 2.985 -12.046 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.967 2.523 -12.196 1.00 0.00 C ATOM 642 CD2 LEU A 40 20.524 4.050 -10.952 1.00 0.00 C ATOM 0 H LEU A 40 23.260 1.605 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 40 20.300 1.345 -10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 22.397 2.145 -11.967 1.00 0.00 H new ATOM 0 HB3 LEU A 40 21.177 1.042 -12.573 1.00 0.00 H new ATOM 0 HG LEU A 40 20.733 3.444 -12.983 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.324 3.388 -12.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.887 1.847 -13.047 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.655 2.004 -11.290 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.828 4.862 -11.166 1.00 0.00 H new ATOM 0 HD22 LEU A 40 20.278 3.606 -9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.541 4.442 -10.923 1.00 0.00 H new ATOM 654 N VAL A 41 20.479 -1.041 -11.115 1.00 0.00 N ATOM 655 CA VAL A 41 20.547 -2.444 -11.503 1.00 0.00 C ATOM 656 C VAL A 41 20.640 -2.452 -13.030 1.00 0.00 C ATOM 657 O VAL A 41 19.598 -2.426 -13.683 1.00 0.00 O ATOM 658 CB VAL A 41 19.358 -3.216 -10.887 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.444 -4.716 -11.201 1.00 0.00 C ATOM 660 CG2 VAL A 41 19.328 -3.036 -9.356 1.00 0.00 C ATOM 0 H VAL A 41 19.587 -0.604 -11.345 1.00 0.00 H new ATOM 0 HA VAL A 41 21.419 -2.973 -11.118 1.00 0.00 H new ATOM 0 HB VAL A 41 18.448 -2.808 -11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.594 -5.231 -10.754 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.430 -4.863 -12.281 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.369 -5.121 -10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.484 -3.587 -8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.255 -3.416 -8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 41 19.224 -1.978 -9.116 1.00 0.00 H new ATOM 670 N PRO A 42 21.847 -2.442 -13.637 1.00 0.00 N ATOM 671 CA PRO A 42 22.059 -2.256 -15.080 1.00 0.00 C ATOM 672 C PRO A 42 21.676 -3.469 -15.951 1.00 0.00 C ATOM 673 O PRO A 42 22.196 -3.669 -17.051 1.00 0.00 O ATOM 674 CB PRO A 42 23.527 -1.828 -15.223 1.00 0.00 C ATOM 675 CG PRO A 42 24.196 -2.538 -14.051 1.00 0.00 C ATOM 676 CD PRO A 42 23.136 -2.417 -12.962 1.00 0.00 C ATOM 0 HA PRO A 42 21.383 -1.494 -15.468 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.948 -2.138 -16.179 1.00 0.00 H new ATOM 0 HB3 PRO A 42 23.642 -0.746 -15.160 1.00 0.00 H new ATOM 0 HG2 PRO A 42 24.427 -3.578 -14.282 1.00 0.00 H new ATOM 0 HG3 PRO A 42 25.132 -2.059 -13.764 1.00 0.00 H new ATOM 0 HD2 PRO A 42 23.217 -3.237 -12.249 1.00 0.00 H new ATOM 0 HD3 PRO A 42 23.262 -1.492 -12.399 1.00 0.00 H new ATOM 684 N ASN A 43 20.748 -4.274 -15.445 1.00 0.00 N ATOM 685 CA ASN A 43 20.057 -5.359 -16.121 1.00 0.00 C ATOM 686 C ASN A 43 18.534 -5.287 -15.918 1.00 0.00 C ATOM 687 O ASN A 43 17.818 -6.106 -16.497 1.00 0.00 O ATOM 688 CB ASN A 43 20.630 -6.727 -15.707 1.00 0.00 C ATOM 689 CG ASN A 43 20.288 -7.101 -14.267 1.00 0.00 C ATOM 690 OD1 ASN A 43 19.197 -7.573 -13.968 1.00 0.00 O ATOM 691 ND2 ASN A 43 21.207 -6.887 -13.338 1.00 0.00 N ATOM 0 H ASN A 43 20.438 -4.175 -14.478 1.00 0.00 H new ATOM 0 HA ASN A 43 20.233 -5.242 -17.190 1.00 0.00 H new ATOM 0 HB2 ASN A 43 20.245 -7.495 -16.378 1.00 0.00 H new ATOM 0 HB3 ASN A 43 21.713 -6.713 -15.826 1.00 0.00 H new ATOM 0 HD21 ASN A 43 21.010 -7.115 -12.364 1.00 0.00 H new ATOM 0 HD22 ASN A 43 22.112 -6.494 -13.597 1.00 0.00 H new ATOM 698 N ARG A 44 18.017 -4.306 -15.156 1.00 0.00 N ATOM 699 CA ARG A 44 16.578 -4.066 -15.009 1.00 0.00 C ATOM 700 C ARG A 44 16.225 -2.586 -15.150 1.00 0.00 C ATOM 701 O ARG A 44 15.228 -2.270 -15.794 1.00 0.00 O ATOM 702 CB ARG A 44 16.098 -4.596 -13.645 1.00 0.00 C ATOM 703 CG ARG A 44 15.623 -6.056 -13.714 1.00 0.00 C ATOM 704 CD ARG A 44 14.958 -6.518 -12.409 1.00 0.00 C ATOM 705 NE ARG A 44 13.735 -5.749 -12.116 1.00 0.00 N ATOM 706 CZ ARG A 44 12.763 -6.073 -11.259 1.00 0.00 C ATOM 707 NH1 ARG A 44 12.815 -7.207 -10.564 1.00 0.00 N ATOM 708 NH2 ARG A 44 11.738 -5.241 -11.105 1.00 0.00 N ATOM 0 H ARG A 44 18.594 -3.655 -14.623 1.00 0.00 H new ATOM 0 HA ARG A 44 16.070 -4.600 -15.812 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.909 -4.515 -12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.284 -3.969 -13.282 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.917 -6.167 -14.537 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.473 -6.702 -13.934 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.713 -7.578 -12.481 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.662 -6.409 -11.584 1.00 0.00 H new ATOM 0 HE ARG A 44 13.618 -4.872 -12.624 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.605 -7.842 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.065 -7.441 -9.913 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.703 -4.371 -11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.987 -5.472 -10.455 1.00 0.00 H new ATOM 722 N HIS A 45 17.025 -1.697 -14.557 1.00 0.00 N ATOM 723 CA HIS A 45 16.853 -0.248 -14.427 1.00 0.00 C ATOM 724 C HIS A 45 15.576 0.211 -13.704 1.00 0.00 C ATOM 725 O HIS A 45 15.570 1.312 -13.159 1.00 0.00 O ATOM 726 CB HIS A 45 16.936 0.461 -15.788 1.00 0.00 C ATOM 727 CG HIS A 45 18.083 0.054 -16.677 1.00 0.00 C ATOM 728 ND1 HIS A 45 17.982 -0.344 -17.990 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.414 0.058 -16.358 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.219 -0.590 -18.449 1.00 0.00 C ATOM 731 NE2 HIS A 45 20.133 -0.363 -17.487 1.00 0.00 N ATOM 0 H HIS A 45 17.891 -2.002 -14.114 1.00 0.00 H new ATOM 0 HA HIS A 45 17.688 0.042 -13.789 1.00 0.00 H new ATOM 0 HB2 HIS A 45 16.005 0.282 -16.326 1.00 0.00 H new ATOM 0 HB3 HIS A 45 17.002 1.535 -15.612 1.00 0.00 H new ATOM 0 HD1 HIS A 45 17.117 -0.436 -18.522 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.837 0.337 -15.404 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.449 -0.923 -19.450 1.00 0.00 H new ATOM 739 N ASP A 46 14.509 -0.593 -13.666 1.00 0.00 N ATOM 740 CA ASP A 46 13.208 -0.207 -13.120 1.00 0.00 C ATOM 741 C ASP A 46 13.208 -0.176 -11.588 1.00 0.00 C ATOM 742 O ASP A 46 12.213 0.239 -10.990 1.00 0.00 O ATOM 743 CB ASP A 46 12.084 -1.113 -13.643 1.00 0.00 C ATOM 744 CG ASP A 46 11.997 -2.446 -12.892 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.974 -3.219 -12.929 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.952 -2.765 -12.285 1.00 0.00 O ATOM 0 H ASP A 46 14.528 -1.549 -14.021 1.00 0.00 H new ATOM 0 HA ASP A 46 13.016 0.808 -13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.132 -0.590 -13.556 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.245 -1.308 -14.703 1.00 0.00 H new ATOM 751 N ILE A 47 14.317 -0.575 -10.955 1.00 0.00 N ATOM 752 CA ILE A 47 14.575 -0.445 -9.531 1.00 0.00 C ATOM 753 C ILE A 47 16.003 0.089 -9.324 1.00 0.00 C ATOM 754 O ILE A 47 16.868 -0.094 -10.188 1.00 0.00 O ATOM 755 CB ILE A 47 14.290 -1.769 -8.769 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.443 -2.796 -8.745 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.990 -2.449 -9.241 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.804 -3.448 -10.078 1.00 0.00 C ATOM 0 H ILE A 47 15.090 -1.017 -11.452 1.00 0.00 H new ATOM 0 HA ILE A 47 13.884 0.279 -9.099 1.00 0.00 H new ATOM 0 HB ILE A 47 14.176 -1.433 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 47 16.333 -2.301 -8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 47 15.182 -3.585 -8.039 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.836 -3.370 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.147 -1.777 -9.076 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.066 -2.682 -10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.626 -4.148 -9.930 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.938 -3.983 -10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 47 16.106 -2.679 -10.789 1.00 0.00 H new ATOM 770 N ALA A 48 16.252 0.745 -8.187 1.00 0.00 N ATOM 771 CA ALA A 48 17.517 1.399 -7.844 1.00 0.00 C ATOM 772 C ALA A 48 17.653 1.524 -6.325 1.00 0.00 C ATOM 773 O ALA A 48 16.690 1.282 -5.596 1.00 0.00 O ATOM 774 CB ALA A 48 17.553 2.803 -8.466 1.00 0.00 C ATOM 0 H ALA A 48 15.551 0.838 -7.452 1.00 0.00 H new ATOM 0 HA ALA A 48 18.340 0.798 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.494 3.290 -8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.468 2.723 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.723 3.394 -8.079 1.00 0.00 H new ATOM 780 N PHE A 49 18.823 1.967 -5.856 1.00 0.00 N ATOM 781 CA PHE A 49 19.075 2.273 -4.450 1.00 0.00 C ATOM 782 C PHE A 49 19.743 3.642 -4.352 1.00 0.00 C ATOM 783 O PHE A 49 20.623 3.940 -5.155 1.00 0.00 O ATOM 784 CB PHE A 49 19.982 1.207 -3.814 1.00 0.00 C ATOM 785 CG PHE A 49 19.355 -0.165 -3.654 1.00 0.00 C ATOM 786 CD1 PHE A 49 19.284 -1.045 -4.754 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.858 -0.571 -2.398 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.707 -2.320 -4.613 1.00 0.00 C ATOM 789 CE2 PHE A 49 18.309 -1.859 -2.249 1.00 0.00 C ATOM 790 CZ PHE A 49 18.235 -2.732 -3.353 1.00 0.00 C ATOM 0 H PHE A 49 19.633 2.125 -6.455 1.00 0.00 H new ATOM 0 HA PHE A 49 18.127 2.280 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.881 1.109 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 49 20.298 1.561 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.676 -0.737 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.898 0.103 -1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.627 -2.978 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.943 -2.179 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.815 -3.720 -3.232 1.00 0.00 H new ATOM 800 N VAL A 50 19.373 4.466 -3.371 1.00 0.00 N ATOM 801 CA VAL A 50 19.866 5.838 -3.205 1.00 0.00 C ATOM 802 C VAL A 50 20.343 5.976 -1.752 1.00 0.00 C ATOM 803 O VAL A 50 19.795 5.321 -0.867 1.00 0.00 O ATOM 804 CB VAL A 50 18.756 6.845 -3.606 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.225 8.304 -3.506 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.234 6.623 -5.036 1.00 0.00 C ATOM 0 H VAL A 50 18.705 4.193 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 50 20.709 6.061 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 50 17.953 6.661 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.411 8.968 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.521 8.521 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.075 8.459 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.460 7.357 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.055 6.735 -5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.817 5.619 -5.119 1.00 0.00 H new ATOM 816 N GLU A 51 21.366 6.795 -1.491 1.00 0.00 N ATOM 817 CA GLU A 51 22.058 6.870 -0.211 1.00 0.00 C ATOM 818 C GLU A 51 22.344 8.330 0.142 1.00 0.00 C ATOM 819 O GLU A 51 22.706 9.140 -0.723 1.00 0.00 O ATOM 820 CB GLU A 51 23.345 6.038 -0.296 1.00 0.00 C ATOM 821 CG GLU A 51 24.189 6.106 0.986 1.00 0.00 C ATOM 822 CD GLU A 51 25.310 5.059 0.950 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.026 3.855 1.131 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.472 5.408 0.650 1.00 0.00 O ATOM 0 H GLU A 51 21.742 7.440 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 51 21.435 6.461 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.087 4.999 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.943 6.389 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.618 7.102 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.554 5.937 1.856 1.00 0.00 H new ATOM 831 N PHE A 52 22.184 8.628 1.433 1.00 0.00 N ATOM 832 CA PHE A 52 22.179 9.953 2.031 1.00 0.00 C ATOM 833 C PHE A 52 23.050 9.992 3.287 1.00 0.00 C ATOM 834 O PHE A 52 23.385 8.967 3.883 1.00 0.00 O ATOM 835 CB PHE A 52 20.734 10.312 2.415 1.00 0.00 C ATOM 836 CG PHE A 52 19.952 11.035 1.340 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.519 10.361 0.182 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.657 12.400 1.505 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.832 11.064 -0.821 1.00 0.00 C ATOM 840 CE2 PHE A 52 18.959 13.100 0.509 1.00 0.00 C ATOM 841 CZ PHE A 52 18.564 12.433 -0.662 1.00 0.00 C ATOM 0 H PHE A 52 22.046 7.897 2.130 1.00 0.00 H new ATOM 0 HA PHE A 52 22.580 10.666 1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.204 9.396 2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.755 10.934 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.715 9.305 0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.969 12.912 2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.510 10.551 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.727 14.146 0.642 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.052 12.975 -1.443 1.00 0.00 H new ATOM 851 N THR A 53 23.363 11.214 3.704 1.00 0.00 N ATOM 852 CA THR A 53 24.040 11.567 4.941 1.00 0.00 C ATOM 853 C THR A 53 23.226 11.151 6.166 1.00 0.00 C ATOM 854 O THR A 53 23.775 10.529 7.078 1.00 0.00 O ATOM 855 CB THR A 53 24.263 13.093 4.931 1.00 0.00 C ATOM 856 OG1 THR A 53 25.089 13.463 3.843 1.00 0.00 O ATOM 857 CG2 THR A 53 24.879 13.609 6.233 1.00 0.00 C ATOM 0 H THR A 53 23.134 12.037 3.147 1.00 0.00 H new ATOM 0 HA THR A 53 24.991 11.038 5.003 1.00 0.00 H new ATOM 0 HB THR A 53 23.279 13.550 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.559 13.475 3.019 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.013 14.689 6.169 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.217 13.374 7.067 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.846 13.132 6.392 1.00 0.00 H new ATOM 865 N THR A 54 21.935 11.481 6.192 1.00 0.00 N ATOM 866 CA THR A 54 21.112 11.347 7.380 1.00 0.00 C ATOM 867 C THR A 54 19.709 10.905 6.997 1.00 0.00 C ATOM 868 O THR A 54 19.191 11.245 5.931 1.00 0.00 O ATOM 869 CB THR A 54 21.082 12.685 8.154 1.00 0.00 C ATOM 870 OG1 THR A 54 21.325 13.811 7.319 1.00 0.00 O ATOM 871 CG2 THR A 54 22.128 12.697 9.267 1.00 0.00 C ATOM 0 H THR A 54 21.434 11.850 5.383 1.00 0.00 H new ATOM 0 HA THR A 54 21.541 10.585 8.031 1.00 0.00 H new ATOM 0 HB THR A 54 20.076 12.761 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.293 14.630 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.086 13.649 9.796 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.926 11.885 9.965 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.120 12.565 8.835 1.00 0.00 H new ATOM 879 N GLU A 55 19.105 10.161 7.918 1.00 0.00 N ATOM 880 CA GLU A 55 17.792 9.539 7.779 1.00 0.00 C ATOM 881 C GLU A 55 16.704 10.600 7.580 1.00 0.00 C ATOM 882 O GLU A 55 15.730 10.383 6.863 1.00 0.00 O ATOM 883 CB GLU A 55 17.457 8.684 9.019 1.00 0.00 C ATOM 884 CG GLU A 55 18.536 7.680 9.464 1.00 0.00 C ATOM 885 CD GLU A 55 19.502 8.256 10.518 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.346 9.112 10.171 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.429 7.847 11.699 1.00 0.00 O ATOM 0 H GLU A 55 19.536 9.966 8.822 1.00 0.00 H new ATOM 0 HA GLU A 55 17.823 8.894 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.249 9.355 9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.539 8.133 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.052 6.792 9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.108 7.360 8.593 1.00 0.00 H new ATOM 894 N LEU A 56 16.866 11.765 8.216 1.00 0.00 N ATOM 895 CA LEU A 56 15.933 12.879 8.078 1.00 0.00 C ATOM 896 C LEU A 56 15.977 13.429 6.653 1.00 0.00 C ATOM 897 O LEU A 56 14.937 13.806 6.112 1.00 0.00 O ATOM 898 CB LEU A 56 16.272 13.995 9.085 1.00 0.00 C ATOM 899 CG LEU A 56 15.609 13.822 10.468 1.00 0.00 C ATOM 900 CD1 LEU A 56 16.047 12.546 11.199 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.936 15.036 11.346 1.00 0.00 C ATOM 0 H LEU A 56 17.649 11.958 8.840 1.00 0.00 H new ATOM 0 HA LEU A 56 14.927 12.515 8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.353 14.035 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.966 14.953 8.665 1.00 0.00 H new ATOM 0 HG LEU A 56 14.537 13.739 10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.543 12.488 12.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.784 11.675 10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.126 12.568 11.354 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.468 14.915 12.323 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.016 15.116 11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.556 15.941 10.872 1.00 0.00 H new ATOM 913 N GLN A 57 17.163 13.478 6.037 1.00 0.00 N ATOM 914 CA GLN A 57 17.311 14.058 4.710 1.00 0.00 C ATOM 915 C GLN A 57 16.854 13.075 3.634 1.00 0.00 C ATOM 916 O GLN A 57 16.147 13.501 2.719 1.00 0.00 O ATOM 917 CB GLN A 57 18.748 14.549 4.484 1.00 0.00 C ATOM 918 CG GLN A 57 19.100 15.675 5.468 1.00 0.00 C ATOM 919 CD GLN A 57 20.336 16.448 5.018 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.233 17.492 4.382 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.526 15.947 5.303 1.00 0.00 N ATOM 0 H GLN A 57 18.030 13.122 6.440 1.00 0.00 H new ATOM 0 HA GLN A 57 16.664 14.932 4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.444 13.720 4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.858 14.907 3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.255 16.358 5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.274 15.253 6.458 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.600 15.078 5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.370 16.429 4.993 1.00 0.00 H new ATOM 930 N SER A 58 17.160 11.776 3.757 1.00 0.00 N ATOM 931 CA SER A 58 16.568 10.783 2.866 1.00 0.00 C ATOM 932 C SER A 58 15.047 10.790 3.005 1.00 0.00 C ATOM 933 O SER A 58 14.357 10.735 1.992 1.00 0.00 O ATOM 934 CB SER A 58 17.112 9.382 3.144 1.00 0.00 C ATOM 935 OG SER A 58 17.085 9.112 4.525 1.00 0.00 O ATOM 0 H SER A 58 17.803 11.398 4.453 1.00 0.00 H new ATOM 0 HA SER A 58 16.839 11.051 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.517 8.641 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.133 9.300 2.771 1.00 0.00 H new ATOM 0 HG SER A 58 16.765 8.198 4.673 1.00 0.00 H new ATOM 941 N ASN A 59 14.514 10.904 4.228 1.00 0.00 N ATOM 942 CA ASN A 59 13.075 10.991 4.455 1.00 0.00 C ATOM 943 C ASN A 59 12.466 12.176 3.719 1.00 0.00 C ATOM 944 O ASN A 59 11.499 12.004 2.985 1.00 0.00 O ATOM 945 CB ASN A 59 12.750 11.057 5.952 1.00 0.00 C ATOM 946 CG ASN A 59 11.286 11.411 6.196 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.385 10.650 5.864 1.00 0.00 O ATOM 948 ND2 ASN A 59 11.020 12.570 6.777 1.00 0.00 N ATOM 0 H ASN A 59 15.070 10.938 5.082 1.00 0.00 H new ATOM 0 HA ASN A 59 12.629 10.082 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.974 10.097 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.389 11.799 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.053 12.841 6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.782 13.192 7.047 1.00 0.00 H new ATOM 955 N ALA A 60 13.037 13.369 3.873 1.00 0.00 N ATOM 956 CA ALA A 60 12.514 14.556 3.207 1.00 0.00 C ATOM 957 C ALA A 60 12.580 14.417 1.685 1.00 0.00 C ATOM 958 O ALA A 60 11.622 14.764 0.995 1.00 0.00 O ATOM 959 CB ALA A 60 13.260 15.799 3.693 1.00 0.00 C ATOM 0 H ALA A 60 13.860 13.537 4.452 1.00 0.00 H new ATOM 0 HA ALA A 60 11.461 14.665 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.863 16.681 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.128 15.905 4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.321 15.699 3.466 1.00 0.00 H new ATOM 965 N ALA A 61 13.674 13.868 1.159 1.00 0.00 N ATOM 966 CA ALA A 61 13.831 13.622 -0.269 1.00 0.00 C ATOM 967 C ALA A 61 12.811 12.598 -0.773 1.00 0.00 C ATOM 968 O ALA A 61 12.228 12.770 -1.843 1.00 0.00 O ATOM 969 CB ALA A 61 15.244 13.120 -0.547 1.00 0.00 C ATOM 0 H ALA A 61 14.479 13.581 1.716 1.00 0.00 H new ATOM 0 HA ALA A 61 13.659 14.559 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.361 12.936 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.966 13.871 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.416 12.194 0.002 1.00 0.00 H new ATOM 975 N LYS A 62 12.579 11.537 0.002 1.00 0.00 N ATOM 976 CA LYS A 62 11.583 10.518 -0.285 1.00 0.00 C ATOM 977 C LYS A 62 10.209 11.171 -0.343 1.00 0.00 C ATOM 978 O LYS A 62 9.511 11.003 -1.335 1.00 0.00 O ATOM 979 CB LYS A 62 11.720 9.384 0.753 1.00 0.00 C ATOM 980 CG LYS A 62 10.618 8.316 0.699 1.00 0.00 C ATOM 981 CD LYS A 62 9.533 8.554 1.757 1.00 0.00 C ATOM 982 CE LYS A 62 8.408 7.536 1.563 1.00 0.00 C ATOM 983 NZ LYS A 62 7.301 7.729 2.525 1.00 0.00 N ATOM 0 H LYS A 62 13.094 11.364 0.865 1.00 0.00 H new ATOM 0 HA LYS A 62 11.734 10.055 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.684 8.896 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.730 9.824 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.164 8.314 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.060 7.331 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.957 8.459 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.141 9.567 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.021 7.615 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.810 6.529 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.527 7.072 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.643 7.544 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.953 8.707 2.463 1.00 0.00 H new ATOM 997 N GLU A 63 9.828 11.965 0.657 1.00 0.00 N ATOM 998 CA GLU A 63 8.525 12.623 0.673 1.00 0.00 C ATOM 999 C GLU A 63 8.381 13.585 -0.514 1.00 0.00 C ATOM 1000 O GLU A 63 7.291 13.717 -1.074 1.00 0.00 O ATOM 1001 CB GLU A 63 8.325 13.359 2.009 1.00 0.00 C ATOM 1002 CG GLU A 63 8.182 12.418 3.216 1.00 0.00 C ATOM 1003 CD GLU A 63 6.857 11.631 3.201 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.829 12.159 3.686 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.833 10.474 2.718 1.00 0.00 O ATOM 0 H GLU A 63 10.408 12.168 1.471 1.00 0.00 H new ATOM 0 HA GLU A 63 7.749 11.864 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.171 14.025 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.435 13.985 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.017 11.717 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.244 13.000 4.135 1.00 0.00 H new ATOM 1012 N ALA A 64 9.477 14.233 -0.918 1.00 0.00 N ATOM 1013 CA ALA A 64 9.500 15.180 -2.021 1.00 0.00 C ATOM 1014 C ALA A 64 9.330 14.501 -3.386 1.00 0.00 C ATOM 1015 O ALA A 64 8.630 15.050 -4.240 1.00 0.00 O ATOM 1016 CB ALA A 64 10.824 15.950 -1.996 1.00 0.00 C ATOM 0 H ALA A 64 10.387 14.107 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 64 8.656 15.857 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.847 16.662 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.915 16.486 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.654 15.250 -2.097 1.00 0.00 H new ATOM 1022 N LEU A 65 9.957 13.339 -3.610 1.00 0.00 N ATOM 1023 CA LEU A 65 10.038 12.725 -4.940 1.00 0.00 C ATOM 1024 C LEU A 65 9.210 11.448 -5.085 1.00 0.00 C ATOM 1025 O LEU A 65 9.119 10.933 -6.198 1.00 0.00 O ATOM 1026 CB LEU A 65 11.504 12.465 -5.345 1.00 0.00 C ATOM 1027 CG LEU A 65 12.368 13.719 -5.579 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.763 13.295 -6.054 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.777 14.680 -6.622 1.00 0.00 C ATOM 0 H LEU A 65 10.420 12.801 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 65 9.599 13.452 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.974 11.863 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.509 11.868 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 65 12.409 14.248 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.376 14.181 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.231 12.667 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.676 12.735 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.435 15.541 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.681 14.165 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.794 15.016 -6.291 1.00 0.00 H new ATOM 1041 N GLN A 66 8.592 10.912 -4.029 1.00 0.00 N ATOM 1042 CA GLN A 66 7.724 9.749 -4.198 1.00 0.00 C ATOM 1043 C GLN A 66 6.557 10.159 -5.110 1.00 0.00 C ATOM 1044 O GLN A 66 5.864 11.145 -4.846 1.00 0.00 O ATOM 1045 CB GLN A 66 7.257 9.185 -2.845 1.00 0.00 C ATOM 1046 CG GLN A 66 6.820 7.716 -2.954 1.00 0.00 C ATOM 1047 CD GLN A 66 6.111 7.257 -1.672 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.061 7.776 -1.305 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.665 6.293 -0.956 1.00 0.00 N ATOM 0 H GLN A 66 8.674 11.255 -3.072 1.00 0.00 H new ATOM 0 HA GLN A 66 8.273 8.933 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.065 9.270 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.427 9.783 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.152 7.594 -3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.691 7.086 -3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.538 5.865 -1.265 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.220 5.977 -0.094 1.00 0.00 H new ATOM 1058 N GLY A 67 6.372 9.417 -6.201 1.00 0.00 N ATOM 1059 CA GLY A 67 5.386 9.687 -7.241 1.00 0.00 C ATOM 1060 C GLY A 67 5.910 10.564 -8.388 1.00 0.00 C ATOM 1061 O GLY A 67 5.162 10.816 -9.333 1.00 0.00 O ATOM 0 H GLY A 67 6.926 8.582 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.038 8.739 -7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.522 10.175 -6.790 1.00 0.00 H new ATOM 1065 N PHE A 68 7.160 11.043 -8.340 1.00 0.00 N ATOM 1066 CA PHE A 68 7.733 11.926 -9.351 1.00 0.00 C ATOM 1067 C PHE A 68 7.889 11.166 -10.666 1.00 0.00 C ATOM 1068 O PHE A 68 8.566 10.138 -10.705 1.00 0.00 O ATOM 1069 CB PHE A 68 9.091 12.448 -8.858 1.00 0.00 C ATOM 1070 CG PHE A 68 9.822 13.355 -9.827 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.573 14.741 -9.825 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.773 12.818 -10.717 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.272 15.585 -10.706 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.466 13.661 -11.601 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.217 15.046 -11.596 1.00 0.00 C ATOM 0 H PHE A 68 7.807 10.821 -7.584 1.00 0.00 H new ATOM 0 HA PHE A 68 7.072 12.776 -9.521 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.937 12.989 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.730 11.595 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.844 15.157 -9.145 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.969 11.756 -10.719 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.083 16.648 -10.699 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.191 13.246 -12.285 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.751 15.694 -12.275 1.00 0.00 H new ATOM 1085 N LYS A 69 7.290 11.659 -11.750 1.00 0.00 N ATOM 1086 CA LYS A 69 7.512 11.101 -13.086 1.00 0.00 C ATOM 1087 C LYS A 69 8.971 11.315 -13.466 1.00 0.00 C ATOM 1088 O LYS A 69 9.372 12.443 -13.758 1.00 0.00 O ATOM 1089 CB LYS A 69 6.592 11.745 -14.144 1.00 0.00 C ATOM 1090 CG LYS A 69 5.380 10.876 -14.495 1.00 0.00 C ATOM 1091 CD LYS A 69 4.371 10.692 -13.354 1.00 0.00 C ATOM 1092 CE LYS A 69 3.376 9.569 -13.683 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.411 9.927 -14.754 1.00 0.00 N ATOM 0 H LYS A 69 6.644 12.448 -11.729 1.00 0.00 H new ATOM 0 HA LYS A 69 7.274 10.038 -13.060 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.245 12.710 -13.776 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.168 11.937 -15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.866 11.320 -15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.733 9.895 -14.811 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.899 10.457 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.832 11.624 -13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.930 8.681 -13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.824 9.307 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.500 9.460 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.275 10.958 -14.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.782 9.614 -15.674 1.00 0.00 H new ATOM 1107 N ILE A 70 9.756 10.239 -13.479 1.00 0.00 N ATOM 1108 CA ILE A 70 11.103 10.282 -14.047 1.00 0.00 C ATOM 1109 C ILE A 70 10.882 10.427 -15.563 1.00 0.00 C ATOM 1110 O ILE A 70 11.502 11.278 -16.202 1.00 0.00 O ATOM 1111 CB ILE A 70 11.900 9.030 -13.652 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.045 8.924 -12.121 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.294 9.092 -14.292 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.526 7.547 -11.660 1.00 0.00 C ATOM 0 H ILE A 70 9.484 9.330 -13.104 1.00 0.00 H new ATOM 0 HA ILE A 70 11.705 11.110 -13.672 1.00 0.00 H new ATOM 0 HB ILE A 70 11.361 8.152 -14.008 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.747 9.683 -11.775 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.084 9.142 -11.655 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.862 8.204 -14.013 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.195 9.134 -15.377 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.816 9.982 -13.941 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.608 7.535 -10.573 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.812 6.787 -11.978 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.501 7.336 -12.100 1.00 0.00 H new ATOM 1126 N THR A 71 9.938 9.655 -16.113 1.00 0.00 N ATOM 1127 CA THR A 71 9.407 9.796 -17.462 1.00 0.00 C ATOM 1128 C THR A 71 7.881 9.699 -17.341 1.00 0.00 C ATOM 1129 O THR A 71 7.415 9.211 -16.307 1.00 0.00 O ATOM 1130 CB THR A 71 10.000 8.738 -18.409 1.00 0.00 C ATOM 1131 OG1 THR A 71 9.822 7.439 -17.887 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.494 8.958 -18.666 1.00 0.00 C ATOM 0 H THR A 71 9.509 8.883 -15.603 1.00 0.00 H new ATOM 0 HA THR A 71 9.684 10.754 -17.902 1.00 0.00 H new ATOM 0 HB THR A 71 9.465 8.841 -19.353 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.205 6.783 -18.506 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.865 8.186 -19.340 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.645 9.938 -19.119 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.037 8.907 -17.722 1.00 0.00 H new ATOM 1140 N PRO A 72 7.091 10.156 -18.336 1.00 0.00 N ATOM 1141 CA PRO A 72 5.637 10.313 -18.239 1.00 0.00 C ATOM 1142 C PRO A 72 4.831 9.143 -17.665 1.00 0.00 C ATOM 1143 O PRO A 72 3.727 9.371 -17.169 1.00 0.00 O ATOM 1144 CB PRO A 72 5.167 10.654 -19.655 1.00 0.00 C ATOM 1145 CG PRO A 72 6.351 11.430 -20.220 1.00 0.00 C ATOM 1146 CD PRO A 72 7.550 10.709 -19.608 1.00 0.00 C ATOM 0 HA PRO A 72 5.446 11.090 -17.499 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.954 9.758 -20.238 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.256 11.253 -19.647 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.373 11.398 -21.309 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.321 12.481 -19.932 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.907 9.919 -20.269 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.381 11.397 -19.455 1.00 0.00 H new ATOM 1154 N THR A 73 5.353 7.917 -17.690 1.00 0.00 N ATOM 1155 CA THR A 73 4.652 6.704 -17.286 1.00 0.00 C ATOM 1156 C THR A 73 5.410 5.938 -16.190 1.00 0.00 C ATOM 1157 O THR A 73 5.034 4.811 -15.856 1.00 0.00 O ATOM 1158 CB THR A 73 4.391 5.858 -18.552 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.567 5.787 -19.346 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.277 6.471 -19.410 1.00 0.00 C ATOM 0 H THR A 73 6.307 7.738 -18.003 1.00 0.00 H new ATOM 0 HA THR A 73 3.695 6.958 -16.830 1.00 0.00 H new ATOM 0 HB THR A 73 4.091 4.864 -18.221 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.390 5.247 -20.145 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.117 5.853 -20.294 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.356 6.520 -18.829 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.566 7.476 -19.718 1.00 0.00 H new ATOM 1168 N HIS A 74 6.443 6.542 -15.592 1.00 0.00 N ATOM 1169 CA HIS A 74 7.290 5.918 -14.585 1.00 0.00 C ATOM 1170 C HIS A 74 7.409 6.869 -13.401 1.00 0.00 C ATOM 1171 O HIS A 74 8.396 7.594 -13.239 1.00 0.00 O ATOM 1172 CB HIS A 74 8.638 5.502 -15.184 1.00 0.00 C ATOM 1173 CG HIS A 74 8.521 4.385 -16.192 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.710 3.042 -15.949 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.213 4.510 -17.521 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.528 2.377 -17.101 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.219 3.230 -18.096 1.00 0.00 N ATOM 0 H HIS A 74 6.715 7.502 -15.804 1.00 0.00 H new ATOM 0 HA HIS A 74 6.844 4.991 -14.223 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.099 6.367 -15.661 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.304 5.189 -14.380 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.947 2.625 -15.049 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.002 5.435 -18.037 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.617 1.307 -17.214 1.00 0.00 H new ATOM 1185 N ALA A 75 6.336 6.901 -12.607 1.00 0.00 N ATOM 1186 CA ALA A 75 6.306 7.564 -11.316 1.00 0.00 C ATOM 1187 C ALA A 75 7.237 6.808 -10.365 1.00 0.00 C ATOM 1188 O ALA A 75 6.969 5.653 -10.028 1.00 0.00 O ATOM 1189 CB ALA A 75 4.873 7.575 -10.772 1.00 0.00 C ATOM 0 H ALA A 75 5.452 6.457 -12.854 1.00 0.00 H new ATOM 0 HA ALA A 75 6.641 8.597 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.856 8.074 -9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.224 8.109 -11.466 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.519 6.550 -10.659 1.00 0.00 H new ATOM 1195 N MET A 76 8.315 7.464 -9.948 1.00 0.00 N ATOM 1196 CA MET A 76 9.284 6.999 -8.973 1.00 0.00 C ATOM 1197 C MET A 76 8.603 6.528 -7.690 1.00 0.00 C ATOM 1198 O MET A 76 8.135 7.352 -6.902 1.00 0.00 O ATOM 1199 CB MET A 76 10.235 8.168 -8.672 1.00 0.00 C ATOM 1200 CG MET A 76 11.378 7.777 -7.739 1.00 0.00 C ATOM 1201 SD MET A 76 12.406 9.166 -7.196 1.00 0.00 S ATOM 1202 CE MET A 76 13.106 9.763 -8.756 1.00 0.00 C ATOM 0 H MET A 76 8.546 8.391 -10.306 1.00 0.00 H new ATOM 0 HA MET A 76 9.830 6.146 -9.375 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.649 8.544 -9.608 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.669 8.984 -8.223 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.962 7.283 -6.861 1.00 0.00 H new ATOM 0 HG3 MET A 76 12.011 7.048 -8.245 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.757 10.615 -8.560 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.683 8.966 -9.224 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.300 10.068 -9.424 1.00 0.00 H new ATOM 1212 N LYS A 77 8.546 5.219 -7.450 1.00 0.00 N ATOM 1213 CA LYS A 77 8.129 4.707 -6.156 1.00 0.00 C ATOM 1214 C LYS A 77 9.404 4.650 -5.315 1.00 0.00 C ATOM 1215 O LYS A 77 10.483 4.354 -5.835 1.00 0.00 O ATOM 1216 CB LYS A 77 7.439 3.353 -6.353 1.00 0.00 C ATOM 1217 CG LYS A 77 6.924 2.770 -5.028 1.00 0.00 C ATOM 1218 CD LYS A 77 6.028 1.536 -5.223 1.00 0.00 C ATOM 1219 CE LYS A 77 4.676 1.903 -5.856 1.00 0.00 C ATOM 1220 NZ LYS A 77 3.787 0.725 -6.022 1.00 0.00 N ATOM 0 H LYS A 77 8.783 4.501 -8.134 1.00 0.00 H new ATOM 0 HA LYS A 77 7.395 5.329 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.606 3.468 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.139 2.653 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.774 2.500 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.365 3.537 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.541 0.812 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.859 1.054 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.177 2.646 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.847 2.365 -6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.889 1.026 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.249 0.025 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.599 0.298 -5.092 1.00 0.00 H new ATOM 1234 N ILE A 78 9.293 4.961 -4.029 1.00 0.00 N ATOM 1235 CA ILE A 78 10.414 5.064 -3.101 1.00 0.00 C ATOM 1236 C ILE A 78 9.967 4.355 -1.830 1.00 0.00 C ATOM 1237 O ILE A 78 8.821 4.531 -1.409 1.00 0.00 O ATOM 1238 CB ILE A 78 10.774 6.544 -2.798 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.884 7.425 -4.062 1.00 0.00 C ATOM 1240 CG2 ILE A 78 12.079 6.619 -1.981 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.217 8.890 -3.768 1.00 0.00 C ATOM 0 H ILE A 78 8.393 5.154 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 78 11.311 4.614 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 78 9.946 6.947 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.652 7.012 -4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.942 7.379 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.320 7.662 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.950 6.084 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.891 6.164 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.277 9.444 -4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.437 9.322 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.174 8.949 -3.249 1.00 0.00 H new ATOM 1253 N THR A 79 10.881 3.623 -1.209 1.00 0.00 N ATOM 1254 CA THR A 79 10.730 2.929 0.057 1.00 0.00 C ATOM 1255 C THR A 79 12.048 3.138 0.816 1.00 0.00 C ATOM 1256 O THR A 79 13.094 3.344 0.192 1.00 0.00 O ATOM 1257 CB THR A 79 10.491 1.429 -0.227 1.00 0.00 C ATOM 1258 OG1 THR A 79 9.593 1.228 -1.302 1.00 0.00 O ATOM 1259 CG2 THR A 79 9.882 0.701 0.967 1.00 0.00 C ATOM 0 H THR A 79 11.811 3.491 -1.606 1.00 0.00 H new ATOM 0 HA THR A 79 9.889 3.300 0.642 1.00 0.00 H new ATOM 0 HB THR A 79 11.480 1.034 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.592 0.281 -1.554 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.734 -0.349 0.716 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.554 0.779 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.922 1.153 1.218 1.00 0.00 H new ATOM 1267 N PHE A 80 12.045 3.100 2.148 1.00 0.00 N ATOM 1268 CA PHE A 80 13.304 3.061 2.887 1.00 0.00 C ATOM 1269 C PHE A 80 13.908 1.672 2.681 1.00 0.00 C ATOM 1270 O PHE A 80 13.189 0.673 2.775 1.00 0.00 O ATOM 1271 CB PHE A 80 13.071 3.362 4.372 1.00 0.00 C ATOM 1272 CG PHE A 80 12.646 4.796 4.615 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.594 5.833 4.528 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.300 5.104 4.882 1.00 0.00 C ATOM 1275 CE1 PHE A 80 13.200 7.171 4.699 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.906 6.439 5.069 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.853 7.471 4.973 1.00 0.00 C ATOM 0 H PHE A 80 11.205 3.095 2.726 1.00 0.00 H new ATOM 0 HA PHE A 80 13.992 3.823 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 80 12.306 2.689 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.986 3.159 4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.629 5.599 4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.568 4.312 4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.928 7.965 4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.874 6.672 5.287 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.547 8.498 5.110 1.00 0.00 H new ATOM 1287 N ALA A 81 15.207 1.595 2.383 1.00 0.00 N ATOM 1288 CA ALA A 81 15.906 0.316 2.390 1.00 0.00 C ATOM 1289 C ALA A 81 16.038 -0.119 3.854 1.00 0.00 C ATOM 1290 O ALA A 81 16.098 0.738 4.742 1.00 0.00 O ATOM 1291 CB ALA A 81 17.279 0.455 1.726 1.00 0.00 C ATOM 0 H ALA A 81 15.788 2.396 2.137 1.00 0.00 H new ATOM 0 HA ALA A 81 15.354 -0.434 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.789 -0.508 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 81 17.153 0.785 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.874 1.188 2.271 1.00 0.00 H new ATOM 1297 N LYS A 82 16.127 -1.425 4.111 1.00 0.00 N ATOM 1298 CA LYS A 82 16.147 -1.973 5.466 1.00 0.00 C ATOM 1299 C LYS A 82 17.482 -2.686 5.651 1.00 0.00 C ATOM 1300 O LYS A 82 17.719 -3.734 5.045 1.00 0.00 O ATOM 1301 CB LYS A 82 14.939 -2.891 5.726 1.00 0.00 C ATOM 1302 CG LYS A 82 13.575 -2.186 5.556 1.00 0.00 C ATOM 1303 CD LYS A 82 12.924 -2.345 4.168 1.00 0.00 C ATOM 1304 CE LYS A 82 12.565 -3.810 3.867 1.00 0.00 C ATOM 1305 NZ LYS A 82 11.970 -3.986 2.520 1.00 0.00 N ATOM 0 H LYS A 82 16.187 -2.135 3.381 1.00 0.00 H new ATOM 0 HA LYS A 82 16.058 -1.175 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.986 -3.741 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.008 -3.290 6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.888 -2.572 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.705 -1.123 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.024 -1.733 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.606 -1.974 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.462 -4.424 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.864 -4.171 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.261 -4.905 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.933 -3.953 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.298 -3.224 1.893 1.00 0.00 H new ATOM 1319 N LYS A 83 18.373 -2.062 6.421 1.00 0.00 N ATOM 1320 CA LYS A 83 19.712 -2.572 6.702 1.00 0.00 C ATOM 1321 C LYS A 83 19.590 -3.923 7.400 1.00 0.00 C ATOM 1322 O LYS A 83 18.752 -4.058 8.316 1.00 0.00 O ATOM 1323 CB LYS A 83 20.501 -1.564 7.556 1.00 0.00 C ATOM 1324 CG LYS A 83 20.729 -0.238 6.804 1.00 0.00 C ATOM 1325 CD LYS A 83 21.372 0.871 7.650 1.00 0.00 C ATOM 1326 CE LYS A 83 20.517 1.216 8.881 1.00 0.00 C ATOM 1327 NZ LYS A 83 20.750 2.598 9.363 1.00 0.00 N ATOM 1328 OXT LYS A 83 20.343 -4.849 7.038 1.00 0.00 O ATOM 0 H LYS A 83 18.179 -1.170 6.875 1.00 0.00 H new ATOM 0 HA LYS A 83 20.262 -2.707 5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.960 -1.369 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 83 21.463 -1.996 7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.362 -0.430 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.771 0.120 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.363 0.554 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.506 1.763 7.039 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.463 1.094 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 83 20.740 0.512 9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.419 2.683 10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.766 2.814 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 20.228 3.268 8.763 1.00 0.00 H new TER 1342 LYS A 83