USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 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 60 TYR OH : rot -14:sc= 1.19 USER MOD Set 1.2: A 81 TYR OH : rot -140:sc= 1.06 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 9 THR OG1 : rot 75:sc= 0.089 USER MOD Single : A 15 GLN : amide:sc= -0.0235 K(o=-0.023,f=-2.2!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.06) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00254) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0598) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00556 X(o=-0.0056,f=0) USER MOD Single : A 67 THR OG1 : rot 97:sc= 0.482 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00192 USER MOD Single : A 78 GLN : amide:sc= -0.361 K(o=-0.36,f=0.44) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -132:sc= 0.344 USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.325) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.052) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.756 3.550 -10.900 1.00 0.00 N ATOM 35 CA ASN A 5 11.339 3.138 -11.148 1.00 0.00 C ATOM 36 C ASN A 5 10.911 1.774 -10.505 1.00 0.00 C ATOM 37 O ASN A 5 10.147 1.005 -11.096 1.00 0.00 O ATOM 38 CB ASN A 5 11.093 3.135 -12.685 1.00 0.00 C ATOM 39 CG ASN A 5 11.033 4.505 -13.391 1.00 0.00 C ATOM 40 OD1 ASN A 5 10.236 5.372 -13.037 1.00 0.00 O ATOM 41 ND2 ASN A 5 11.867 4.728 -14.395 1.00 0.00 N ATOM 0 HA ASN A 5 10.707 3.869 -10.644 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.884 2.548 -13.153 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.154 2.615 -12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 5 11.852 5.624 -14.881 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.525 4.003 -14.682 1.00 0.00 H new ATOM 42 N ALA A 6 11.345 1.527 -9.261 1.00 0.00 N ATOM 43 CA ALA A 6 10.856 0.411 -8.396 1.00 0.00 C ATOM 44 C ALA A 6 11.559 0.377 -7.014 1.00 0.00 C ATOM 45 O ALA A 6 12.728 0.745 -6.847 1.00 0.00 O ATOM 46 CB ALA A 6 11.044 -0.992 -9.046 1.00 0.00 C ATOM 0 H ALA A 6 12.058 2.099 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 6 9.793 0.618 -8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.670 -1.760 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.491 -1.035 -9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.103 -1.164 -9.240 1.00 0.00 H new ATOM 47 N LEU A 7 10.815 -0.201 -6.057 1.00 0.00 N ATOM 48 CA LEU A 7 11.362 -0.815 -4.839 1.00 0.00 C ATOM 49 C LEU A 7 11.355 -2.358 -5.073 1.00 0.00 C ATOM 50 O LEU A 7 10.318 -2.957 -5.383 1.00 0.00 O ATOM 51 CB LEU A 7 10.481 -0.381 -3.622 1.00 0.00 C ATOM 52 CG LEU A 7 10.824 -1.073 -2.276 1.00 0.00 C ATOM 53 CD1 LEU A 7 12.274 -0.823 -1.813 1.00 0.00 C ATOM 54 CD2 LEU A 7 9.894 -0.723 -1.101 1.00 0.00 C ATOM 0 H LEU A 7 9.798 -0.255 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 7 12.382 -0.497 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.576 0.697 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.437 -0.583 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 7 10.680 -2.125 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.447 -1.335 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.966 -1.204 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.435 0.247 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.219 -1.257 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.931 0.350 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.873 -1.014 -1.346 1.00 0.00 H new ATOM 55 N GLU A 8 12.509 -2.994 -4.816 1.00 0.00 N ATOM 56 CA GLU A 8 12.606 -4.476 -4.687 1.00 0.00 C ATOM 57 C GLU A 8 11.948 -4.937 -3.351 1.00 0.00 C ATOM 58 O GLU A 8 12.322 -4.488 -2.262 1.00 0.00 O ATOM 59 CB GLU A 8 14.069 -4.984 -4.750 1.00 0.00 C ATOM 60 CG GLU A 8 14.768 -4.830 -6.121 1.00 0.00 C ATOM 61 CD GLU A 8 16.193 -5.391 -6.125 1.00 0.00 C ATOM 62 OE1 GLU A 8 16.358 -6.629 -6.052 1.00 0.00 O ATOM 63 OE2 GLU A 8 17.156 -4.593 -6.203 1.00 0.00 O ATOM 0 H GLU A 8 13.399 -2.511 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 8 12.075 -4.907 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.654 -4.449 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.082 -6.038 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.179 -5.340 -6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.797 -3.775 -6.393 1.00 0.00 H new ATOM 64 N THR A 9 10.934 -5.802 -3.487 1.00 0.00 N ATOM 65 CA THR A 9 9.970 -6.122 -2.399 1.00 0.00 C ATOM 66 C THR A 9 9.815 -7.670 -2.417 1.00 0.00 C ATOM 67 O THR A 9 9.282 -8.225 -3.382 1.00 0.00 O ATOM 68 CB THR A 9 8.647 -5.332 -2.655 1.00 0.00 C ATOM 69 OG1 THR A 9 8.899 -3.930 -2.673 1.00 0.00 O ATOM 70 CG2 THR A 9 7.526 -5.556 -1.638 1.00 0.00 C ATOM 0 H THR A 9 10.749 -6.307 -4.354 1.00 0.00 H new ATOM 0 HA THR A 9 10.298 -5.821 -1.404 1.00 0.00 H new ATOM 0 HB THR A 9 8.305 -5.722 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.333 -3.686 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.658 -4.958 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.251 -6.611 -1.626 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.869 -5.259 -0.647 1.00 0.00 H new ATOM 71 N TRP A 10 10.319 -8.365 -1.380 1.00 0.00 N ATOM 72 CA TRP A 10 10.460 -9.854 -1.397 1.00 0.00 C ATOM 73 C TRP A 10 9.481 -10.557 -0.411 1.00 0.00 C ATOM 74 O TRP A 10 9.100 -10.013 0.631 1.00 0.00 O ATOM 75 CB TRP A 10 11.934 -10.257 -1.105 1.00 0.00 C ATOM 76 CG TRP A 10 12.898 -9.963 -2.263 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.758 -8.848 -2.363 1.00 0.00 C ATOM 78 CD2 TRP A 10 13.074 -10.677 -3.436 1.00 0.00 C ATOM 79 NE1 TRP A 10 14.472 -8.850 -3.575 1.00 0.00 N ATOM 80 CE2 TRP A 10 14.033 -9.992 -4.223 1.00 0.00 C ATOM 81 CE3 TRP A 10 12.476 -11.873 -3.914 1.00 0.00 C ATOM 82 CZ2 TRP A 10 14.410 -10.504 -5.488 1.00 0.00 C ATOM 83 CZ3 TRP A 10 12.870 -12.362 -5.159 1.00 0.00 C ATOM 84 CH2 TRP A 10 13.825 -11.688 -5.933 1.00 0.00 C ATOM 0 H TRP A 10 10.639 -7.930 -0.515 1.00 0.00 H new ATOM 0 HA TRP A 10 10.190 -10.196 -2.396 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.276 -9.727 -0.216 1.00 0.00 H new ATOM 0 HB3 TRP A 10 11.971 -11.322 -0.875 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.856 -8.087 -1.603 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.156 -8.167 -3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.733 -12.392 -3.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 15.137 -9.987 -6.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 12.432 -13.275 -5.533 1.00 0.00 H new ATOM 0 HH2 TRP A 10 14.113 -12.094 -6.892 1.00 0.00 H new ATOM 85 N GLY A 11 9.118 -11.803 -0.764 1.00 0.00 N ATOM 86 CA GLY A 11 8.263 -12.654 0.086 1.00 0.00 C ATOM 87 C GLY A 11 8.381 -14.157 -0.247 1.00 0.00 C ATOM 88 O GLY A 11 9.374 -14.636 -0.803 1.00 0.00 O ATOM 0 H GLY A 11 9.405 -12.246 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.530 -12.498 1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.224 -12.343 -0.028 1.00 0.00 H new ATOM 89 N ALA A 12 7.341 -14.903 0.150 1.00 0.00 N ATOM 90 CA ALA A 12 7.267 -16.378 -0.027 1.00 0.00 C ATOM 91 C ALA A 12 5.805 -16.818 -0.344 1.00 0.00 C ATOM 92 O ALA A 12 4.845 -16.064 -0.137 1.00 0.00 O ATOM 93 CB ALA A 12 7.799 -17.072 1.247 1.00 0.00 C ATOM 0 H ALA A 12 6.519 -14.508 0.606 1.00 0.00 H new ATOM 0 HA ALA A 12 7.888 -16.675 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.746 -18.153 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.834 -16.776 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.192 -16.776 2.103 1.00 0.00 H new ATOM 94 N LEU A 13 5.629 -18.068 -0.820 1.00 0.00 N ATOM 95 CA LEU A 13 4.272 -18.634 -1.067 1.00 0.00 C ATOM 96 C LEU A 13 3.601 -19.005 0.295 1.00 0.00 C ATOM 97 O LEU A 13 4.181 -19.732 1.107 1.00 0.00 O ATOM 98 CB LEU A 13 4.208 -19.887 -1.994 1.00 0.00 C ATOM 99 CG LEU A 13 4.462 -19.670 -3.513 1.00 0.00 C ATOM 100 CD1 LEU A 13 5.940 -19.542 -3.848 1.00 0.00 C ATOM 101 CD2 LEU A 13 3.852 -20.790 -4.378 1.00 0.00 C ATOM 0 H LEU A 13 6.395 -18.704 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 13 3.745 -17.841 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.937 -20.611 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.224 -20.341 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 13 3.965 -18.729 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.058 -19.392 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.362 -18.690 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.461 -20.452 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.058 -20.590 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.292 -21.747 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.774 -20.826 -4.220 1.00 0.00 H new ATOM 102 N GLY A 14 2.387 -18.487 0.529 1.00 0.00 N ATOM 103 CA GLY A 14 1.707 -18.593 1.843 1.00 0.00 C ATOM 104 C GLY A 14 2.243 -17.571 2.859 1.00 0.00 C ATOM 105 O GLY A 14 2.885 -17.977 3.832 1.00 0.00 O ATOM 0 H GLY A 14 1.846 -17.985 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.636 -18.442 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.840 -19.600 2.239 1.00 0.00 H new ATOM 106 N GLN A 15 2.030 -16.261 2.607 1.00 0.00 N ATOM 107 CA GLN A 15 2.710 -15.191 3.405 1.00 0.00 C ATOM 108 C GLN A 15 1.985 -13.816 3.287 1.00 0.00 C ATOM 109 O GLN A 15 1.622 -13.378 2.196 1.00 0.00 O ATOM 110 CB GLN A 15 4.225 -15.085 3.034 1.00 0.00 C ATOM 111 CG GLN A 15 5.103 -14.366 4.088 1.00 0.00 C ATOM 112 CD GLN A 15 6.604 -14.697 3.984 1.00 0.00 C ATOM 113 OE1 GLN A 15 7.352 -14.086 3.221 1.00 0.00 O ATOM 114 NE2 GLN A 15 7.077 -15.675 4.743 1.00 0.00 N ATOM 0 H GLN A 15 1.409 -15.914 1.876 1.00 0.00 H new ATOM 0 HA GLN A 15 2.648 -15.483 4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.618 -16.090 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.316 -14.557 2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.971 -13.289 3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.750 -14.634 5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.453 -16.178 5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.065 -15.924 4.696 1.00 0.00 H new ATOM 115 N ASP A 16 1.816 -13.134 4.439 1.00 0.00 N ATOM 116 CA ASP A 16 1.208 -11.772 4.516 1.00 0.00 C ATOM 117 C ASP A 16 2.321 -10.704 4.283 1.00 0.00 C ATOM 118 O ASP A 16 3.297 -10.677 5.042 1.00 0.00 O ATOM 119 CB ASP A 16 0.548 -11.520 5.899 1.00 0.00 C ATOM 120 CG ASP A 16 -0.524 -12.513 6.377 1.00 0.00 C ATOM 121 OD1 ASP A 16 -0.159 -13.590 6.897 1.00 0.00 O ATOM 122 OD2 ASP A 16 -1.732 -12.219 6.246 1.00 0.00 O ATOM 0 H ASP A 16 2.095 -13.505 5.347 1.00 0.00 H new ATOM 0 HA ASP A 16 0.436 -11.700 3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.340 -11.497 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.099 -10.527 5.879 1.00 0.00 H new ATOM 123 N ILE A 17 2.192 -9.847 3.251 1.00 0.00 N ATOM 124 CA ILE A 17 3.251 -8.837 2.901 1.00 0.00 C ATOM 125 C ILE A 17 2.576 -7.439 2.694 1.00 0.00 C ATOM 126 O ILE A 17 1.613 -7.306 1.934 1.00 0.00 O ATOM 127 CB ILE A 17 4.101 -9.265 1.652 1.00 0.00 C ATOM 128 CG1 ILE A 17 4.777 -10.668 1.721 1.00 0.00 C ATOM 129 CG2 ILE A 17 5.168 -8.208 1.242 1.00 0.00 C ATOM 130 CD1 ILE A 17 5.935 -10.836 2.718 1.00 0.00 C ATOM 0 H ILE A 17 1.376 -9.821 2.639 1.00 0.00 H new ATOM 0 HA ILE A 17 3.958 -8.776 3.729 1.00 0.00 H new ATOM 0 HB ILE A 17 3.331 -9.334 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.010 -11.402 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.148 -10.915 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.720 -8.566 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.673 -7.268 0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.859 -8.048 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.315 -11.856 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.734 -10.138 2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.578 -10.633 3.728 1.00 0.00 H new ATOM 131 N ASN A 18 3.153 -6.394 3.324 1.00 0.00 N ATOM 132 CA ASN A 18 2.582 -5.017 3.329 1.00 0.00 C ATOM 133 C ASN A 18 3.217 -4.071 2.264 1.00 0.00 C ATOM 134 O ASN A 18 4.417 -4.133 1.975 1.00 0.00 O ATOM 135 CB ASN A 18 2.725 -4.375 4.742 1.00 0.00 C ATOM 136 CG ASN A 18 1.768 -4.924 5.821 1.00 0.00 C ATOM 137 OD1 ASN A 18 1.817 -6.097 6.192 1.00 0.00 O ATOM 138 ND2 ASN A 18 0.886 -4.090 6.355 1.00 0.00 N ATOM 0 H ASN A 18 4.026 -6.474 3.845 1.00 0.00 H new ATOM 0 HA ASN A 18 1.530 -5.130 3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.750 -4.517 5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.565 -3.301 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.244 -4.419 7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.849 -3.119 6.044 1.00 0.00 H new ATOM 139 N LEU A 19 2.384 -3.131 1.772 1.00 0.00 N ATOM 140 CA LEU A 19 2.836 -1.914 1.038 1.00 0.00 C ATOM 141 C LEU A 19 2.714 -0.719 2.015 1.00 0.00 C ATOM 142 O LEU A 19 1.664 -0.486 2.623 1.00 0.00 O ATOM 143 CB LEU A 19 2.028 -1.684 -0.275 1.00 0.00 C ATOM 144 CG LEU A 19 2.111 -2.840 -1.309 1.00 0.00 C ATOM 145 CD1 LEU A 19 1.317 -2.463 -2.558 1.00 0.00 C ATOM 146 CD2 LEU A 19 3.533 -3.285 -1.725 1.00 0.00 C ATOM 0 H LEU A 19 1.370 -3.188 1.870 1.00 0.00 H new ATOM 0 HA LEU A 19 3.870 -2.033 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.982 -1.523 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.384 -0.768 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 19 1.687 -3.702 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.375 -3.274 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.275 -2.291 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.734 -1.555 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.463 -4.097 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.061 -2.443 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.078 -3.629 -0.846 1.00 0.00 H new ATOM 147 N ASP A 20 3.824 0.008 2.200 1.00 0.00 N ATOM 148 CA ASP A 20 3.908 1.135 3.164 1.00 0.00 C ATOM 149 C ASP A 20 5.158 1.961 2.755 1.00 0.00 C ATOM 150 O ASP A 20 6.282 1.446 2.806 1.00 0.00 O ATOM 151 CB ASP A 20 3.996 0.647 4.640 1.00 0.00 C ATOM 152 CG ASP A 20 3.844 1.759 5.690 1.00 0.00 C ATOM 153 OD1 ASP A 20 2.699 2.071 6.084 1.00 0.00 O ATOM 154 OD2 ASP A 20 4.871 2.330 6.119 1.00 0.00 O ATOM 0 H ASP A 20 4.692 -0.161 1.691 1.00 0.00 H new ATOM 0 HA ASP A 20 3.004 1.742 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.222 -0.102 4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.956 0.153 4.789 1.00 0.00 H new ATOM 155 N ILE A 21 4.955 3.233 2.369 1.00 0.00 N ATOM 156 CA ILE A 21 6.054 4.136 1.914 1.00 0.00 C ATOM 157 C ILE A 21 6.412 5.171 3.043 1.00 0.00 C ATOM 158 O ILE A 21 5.644 6.121 3.232 1.00 0.00 O ATOM 159 CB ILE A 21 5.771 4.756 0.500 1.00 0.00 C ATOM 160 CG1 ILE A 21 6.926 5.616 -0.102 1.00 0.00 C ATOM 161 CG2 ILE A 21 4.463 5.573 0.413 1.00 0.00 C ATOM 162 CD1 ILE A 21 8.325 4.982 -0.126 1.00 0.00 C ATOM 0 H ILE A 21 4.034 3.672 2.360 1.00 0.00 H new ATOM 0 HA ILE A 21 6.958 3.548 1.754 1.00 0.00 H new ATOM 0 HB ILE A 21 5.674 3.854 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.655 5.879 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.985 6.547 0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.345 5.965 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.616 4.931 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.503 6.401 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.034 5.682 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.635 4.746 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.300 4.068 -0.719 1.00 0.00 H new ATOM 163 N PRO A 22 7.566 5.076 3.765 1.00 0.00 N ATOM 164 CA PRO A 22 8.049 6.149 4.678 1.00 0.00 C ATOM 165 C PRO A 22 8.752 7.332 3.940 1.00 0.00 C ATOM 166 O PRO A 22 8.915 7.337 2.714 1.00 0.00 O ATOM 167 CB PRO A 22 8.975 5.343 5.618 1.00 0.00 C ATOM 168 CG PRO A 22 9.545 4.210 4.767 1.00 0.00 C ATOM 169 CD PRO A 22 8.414 3.871 3.795 1.00 0.00 C ATOM 0 HA PRO A 22 7.254 6.680 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.771 5.972 6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.421 4.951 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.445 4.522 4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.817 3.350 5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.802 3.636 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.851 3.000 4.132 1.00 0.00 H new ATOM 170 N SER A 23 9.135 8.352 4.733 1.00 0.00 N ATOM 171 CA SER A 23 9.745 9.624 4.246 1.00 0.00 C ATOM 172 C SER A 23 8.716 10.528 3.502 1.00 0.00 C ATOM 173 O SER A 23 8.792 10.714 2.281 1.00 0.00 O ATOM 174 CB SER A 23 11.091 9.451 3.492 1.00 0.00 C ATOM 175 OG SER A 23 12.040 8.734 4.277 1.00 0.00 O ATOM 0 H SER A 23 9.031 8.324 5.747 1.00 0.00 H new ATOM 0 HA SER A 23 10.031 10.167 5.147 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.919 8.922 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.495 10.431 3.236 1.00 0.00 H new ATOM 0 HG SER A 23 12.876 8.640 3.774 1.00 0.00 H new ATOM 176 N PHE A 24 7.760 11.093 4.265 1.00 0.00 N ATOM 177 CA PHE A 24 6.778 12.080 3.745 1.00 0.00 C ATOM 178 C PHE A 24 6.385 13.011 4.924 1.00 0.00 C ATOM 179 O PHE A 24 5.708 12.586 5.865 1.00 0.00 O ATOM 180 CB PHE A 24 5.548 11.371 3.096 1.00 0.00 C ATOM 181 CG PHE A 24 4.462 12.268 2.456 1.00 0.00 C ATOM 182 CD1 PHE A 24 4.792 13.315 1.583 1.00 0.00 C ATOM 183 CD2 PHE A 24 3.113 11.993 2.705 1.00 0.00 C ATOM 184 CE1 PHE A 24 3.790 14.076 0.981 1.00 0.00 C ATOM 185 CE2 PHE A 24 2.112 12.750 2.100 1.00 0.00 C ATOM 186 CZ PHE A 24 2.452 13.789 1.238 1.00 0.00 C ATOM 0 H PHE A 24 7.642 10.883 5.256 1.00 0.00 H new ATOM 0 HA PHE A 24 7.216 12.678 2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.918 10.691 2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.071 10.759 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.829 13.533 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.845 11.187 3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.052 14.886 0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.073 12.531 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.676 14.374 0.767 1.00 0.00 H new ATOM 187 N GLN A 25 6.784 14.293 4.826 1.00 0.00 N ATOM 188 CA GLN A 25 6.406 15.336 5.815 1.00 0.00 C ATOM 189 C GLN A 25 4.951 15.829 5.568 1.00 0.00 C ATOM 190 O GLN A 25 4.614 16.310 4.479 1.00 0.00 O ATOM 191 CB GLN A 25 7.451 16.490 5.859 1.00 0.00 C ATOM 192 CG GLN A 25 7.674 17.328 4.576 1.00 0.00 C ATOM 193 CD GLN A 25 8.793 18.375 4.736 1.00 0.00 C ATOM 194 OE1 GLN A 25 9.978 18.061 4.620 1.00 0.00 O ATOM 195 NE2 GLN A 25 8.450 19.626 5.002 1.00 0.00 N ATOM 0 H GLN A 25 7.373 14.639 4.068 1.00 0.00 H new ATOM 0 HA GLN A 25 6.418 14.891 6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.158 17.174 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.410 16.059 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.922 16.661 3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.745 17.833 4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.466 19.876 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.170 20.340 5.113 1.00 0.00 H new ATOM 196 N MET A 26 4.097 15.676 6.595 1.00 0.00 N ATOM 197 CA MET A 26 2.661 16.050 6.518 1.00 0.00 C ATOM 198 C MET A 26 2.493 17.516 7.002 1.00 0.00 C ATOM 199 O MET A 26 2.866 17.867 8.128 1.00 0.00 O ATOM 200 CB MET A 26 1.789 15.087 7.359 1.00 0.00 C ATOM 201 CG MET A 26 1.726 13.643 6.830 1.00 0.00 C ATOM 202 SD MET A 26 0.660 12.655 7.898 1.00 0.00 S ATOM 203 CE MET A 26 0.707 11.068 7.040 1.00 0.00 C ATOM 0 H MET A 26 4.373 15.293 7.499 1.00 0.00 H new ATOM 0 HA MET A 26 2.325 15.970 5.484 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.173 15.069 8.379 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.776 15.486 7.407 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.344 13.635 5.809 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.727 13.212 6.799 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.094 10.345 7.578 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.321 11.190 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.735 10.709 6.995 1.00 0.00 H new ATOM 204 N SER A 27 1.944 18.352 6.110 1.00 0.00 N ATOM 205 CA SER A 27 1.825 19.821 6.319 1.00 0.00 C ATOM 206 C SER A 27 0.358 20.296 6.517 1.00 0.00 C ATOM 207 O SER A 27 0.074 20.940 7.533 1.00 0.00 O ATOM 208 CB SER A 27 2.583 20.592 5.209 1.00 0.00 C ATOM 209 OG SER A 27 2.051 20.347 3.909 1.00 0.00 O ATOM 0 H SER A 27 1.565 18.038 5.217 1.00 0.00 H new ATOM 0 HA SER A 27 2.311 20.059 7.265 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.539 21.661 5.420 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.635 20.306 5.227 1.00 0.00 H new ATOM 0 HG SER A 27 2.561 20.856 3.245 1.00 0.00 H new ATOM 210 N ASP A 28 -0.555 20.027 5.559 1.00 0.00 N ATOM 211 CA ASP A 28 -1.962 20.495 5.603 1.00 0.00 C ATOM 212 C ASP A 28 -2.706 19.760 4.454 1.00 0.00 C ATOM 213 O ASP A 28 -2.498 20.051 3.273 1.00 0.00 O ATOM 214 CB ASP A 28 -2.173 22.039 5.567 1.00 0.00 C ATOM 215 CG ASP A 28 -1.564 22.827 4.392 1.00 0.00 C ATOM 216 OD1 ASP A 28 -0.366 23.179 4.457 1.00 0.00 O ATOM 217 OD2 ASP A 28 -2.284 23.088 3.404 1.00 0.00 O ATOM 0 H ASP A 28 -0.338 19.476 4.728 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.374 20.246 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.246 22.229 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.769 22.452 6.491 1.00 0.00 H new ATOM 218 N ASP A 29 -3.587 18.822 4.839 1.00 0.00 N ATOM 219 CA ASP A 29 -4.573 18.147 3.940 1.00 0.00 C ATOM 220 C ASP A 29 -3.921 16.934 3.211 1.00 0.00 C ATOM 221 O ASP A 29 -3.188 17.116 2.236 1.00 0.00 O ATOM 222 CB ASP A 29 -5.364 19.068 2.957 1.00 0.00 C ATOM 223 CG ASP A 29 -6.193 20.176 3.628 1.00 0.00 C ATOM 224 OD1 ASP A 29 -7.333 19.905 4.064 1.00 0.00 O ATOM 225 OD2 ASP A 29 -5.699 21.320 3.728 1.00 0.00 O ATOM 0 H ASP A 29 -3.645 18.495 5.804 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.351 17.790 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.657 19.531 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.031 18.447 2.359 1.00 0.00 H new ATOM 226 N ILE A 30 -4.180 15.708 3.712 1.00 0.00 N ATOM 227 CA ILE A 30 -3.724 14.434 3.080 1.00 0.00 C ATOM 228 C ILE A 30 -4.902 13.442 3.329 1.00 0.00 C ATOM 229 O ILE A 30 -5.155 13.056 4.478 1.00 0.00 O ATOM 230 CB ILE A 30 -2.345 13.869 3.605 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.124 14.839 3.505 1.00 0.00 C ATOM 232 CG2 ILE A 30 -1.965 12.551 2.875 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.917 15.762 4.716 1.00 0.00 C ATOM 0 H ILE A 30 -4.713 15.564 4.570 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.507 14.596 2.024 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.533 13.709 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.221 14.246 3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.244 15.456 2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.012 12.185 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.737 11.802 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.879 12.740 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.045 16.394 4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.799 16.388 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.760 15.159 5.610 1.00 0.00 H new ATOM 234 N ASP A 31 -5.600 13.021 2.254 1.00 0.00 N ATOM 235 CA ASP A 31 -6.784 12.112 2.349 1.00 0.00 C ATOM 236 C ASP A 31 -6.673 10.881 1.403 1.00 0.00 C ATOM 237 O ASP A 31 -6.787 9.741 1.862 1.00 0.00 O ATOM 238 CB ASP A 31 -8.073 12.949 2.109 1.00 0.00 C ATOM 239 CG ASP A 31 -9.402 12.243 2.409 1.00 0.00 C ATOM 240 OD1 ASP A 31 -9.870 11.442 1.566 1.00 0.00 O ATOM 241 OD2 ASP A 31 -9.987 12.486 3.487 1.00 0.00 O ATOM 0 H ASP A 31 -5.369 13.293 1.298 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.826 11.682 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.017 13.849 2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.083 13.272 1.068 1.00 0.00 H new ATOM 242 N ASP A 32 -6.535 11.124 0.089 1.00 0.00 N ATOM 243 CA ASP A 32 -6.773 10.111 -0.972 1.00 0.00 C ATOM 244 C ASP A 32 -5.441 9.391 -1.316 1.00 0.00 C ATOM 245 O ASP A 32 -4.420 10.055 -1.521 1.00 0.00 O ATOM 246 CB ASP A 32 -7.299 10.795 -2.271 1.00 0.00 C ATOM 247 CG ASP A 32 -8.340 11.930 -2.199 1.00 0.00 C ATOM 248 OD1 ASP A 32 -9.199 11.931 -1.289 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.296 12.829 -3.064 1.00 0.00 O ATOM 0 H ASP A 32 -6.253 12.033 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.511 9.399 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.431 11.189 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.724 10.010 -2.897 1.00 0.00 H new ATOM 250 N ILE A 33 -5.448 8.050 -1.396 1.00 0.00 N ATOM 251 CA ILE A 33 -4.237 7.265 -1.823 1.00 0.00 C ATOM 252 C ILE A 33 -4.744 6.115 -2.766 1.00 0.00 C ATOM 253 O ILE A 33 -5.895 5.670 -2.709 1.00 0.00 O ATOM 254 CB ILE A 33 -3.271 6.842 -0.629 1.00 0.00 C ATOM 255 CG1 ILE A 33 -2.629 8.021 0.171 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.124 5.887 -1.053 1.00 0.00 C ATOM 257 CD1 ILE A 33 -3.407 8.481 1.417 1.00 0.00 C ATOM 0 H ILE A 33 -6.262 7.475 -1.177 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.551 7.892 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.969 6.322 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.627 7.724 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.516 8.873 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.511 5.646 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.547 4.970 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.507 6.373 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.874 9.302 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.401 8.817 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.498 7.650 2.117 1.00 0.00 H new ATOM 258 N LYS A 34 -3.861 5.646 -3.668 1.00 0.00 N ATOM 259 CA LYS A 34 -4.218 4.631 -4.688 1.00 0.00 C ATOM 260 C LYS A 34 -3.015 3.727 -5.006 1.00 0.00 C ATOM 261 O LYS A 34 -1.914 4.199 -5.268 1.00 0.00 O ATOM 262 CB LYS A 34 -4.714 5.399 -5.953 1.00 0.00 C ATOM 263 CG LYS A 34 -4.972 4.588 -7.247 1.00 0.00 C ATOM 264 CD LYS A 34 -5.733 5.393 -8.319 1.00 0.00 C ATOM 265 CE LYS A 34 -6.058 4.561 -9.571 1.00 0.00 C ATOM 266 NZ LYS A 34 -6.762 5.367 -10.581 1.00 0.00 N ATOM 0 H LYS A 34 -2.889 5.953 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.006 3.973 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.640 5.910 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.979 6.170 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.018 4.256 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.542 3.692 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.660 5.774 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.137 6.258 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.136 4.165 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.673 3.705 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.967 4.778 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.653 5.724 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.164 6.169 -10.864 1.00 0.00 H new ATOM 267 N TRP A 35 -3.310 2.420 -5.059 1.00 0.00 N ATOM 268 CA TRP A 35 -2.344 1.375 -5.466 1.00 0.00 C ATOM 269 C TRP A 35 -2.926 0.673 -6.735 1.00 0.00 C ATOM 270 O TRP A 35 -3.963 -0.017 -6.697 1.00 0.00 O ATOM 271 CB TRP A 35 -2.098 0.408 -4.287 1.00 0.00 C ATOM 272 CG TRP A 35 -1.238 0.990 -3.149 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.659 1.427 -1.890 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.121 1.072 -3.098 1.00 0.00 C ATOM 275 NE1 TRP A 35 -0.600 1.750 -1.036 1.00 0.00 N ATOM 276 CE2 TRP A 35 0.512 1.539 -1.819 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.076 0.648 -4.025 1.00 0.00 C ATOM 278 CZ2 TRP A 35 1.885 1.598 -1.478 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.411 0.654 -3.664 1.00 0.00 C ATOM 280 CH2 TRP A 35 2.814 1.124 -2.410 1.00 0.00 C ATOM 0 H TRP A 35 -4.230 2.050 -4.820 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.369 1.791 -5.721 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.061 0.103 -3.877 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.614 -0.492 -4.667 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.698 1.507 -1.605 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.642 2.066 -0.067 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.776 0.320 -5.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.205 1.997 -0.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.153 0.291 -4.360 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.864 1.121 -2.156 1.00 0.00 H new ATOM 281 N GLU A 36 -2.206 0.923 -7.844 1.00 0.00 N ATOM 282 CA GLU A 36 -2.488 0.392 -9.206 1.00 0.00 C ATOM 283 C GLU A 36 -1.218 -0.321 -9.774 1.00 0.00 C ATOM 284 O GLU A 36 -0.097 0.024 -9.398 1.00 0.00 O ATOM 285 CB GLU A 36 -3.002 1.533 -10.140 1.00 0.00 C ATOM 286 CG GLU A 36 -2.046 2.672 -10.576 1.00 0.00 C ATOM 287 CD GLU A 36 -2.025 3.915 -9.676 1.00 0.00 C ATOM 288 OE1 GLU A 36 -1.450 3.865 -8.568 1.00 0.00 O ATOM 289 OE2 GLU A 36 -2.578 4.960 -10.086 1.00 0.00 O ATOM 0 H GLU A 36 -1.380 1.521 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.282 -0.353 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.380 1.062 -11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.854 1.998 -9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.034 2.270 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.319 2.983 -11.584 1.00 0.00 H new ATOM 290 N LYS A 37 -1.365 -1.295 -10.697 1.00 0.00 N ATOM 291 CA LYS A 37 -0.214 -2.129 -11.164 1.00 0.00 C ATOM 292 C LYS A 37 0.494 -1.507 -12.405 1.00 0.00 C ATOM 293 O LYS A 37 -0.145 -0.844 -13.228 1.00 0.00 O ATOM 294 CB LYS A 37 -0.641 -3.589 -11.473 1.00 0.00 C ATOM 295 CG LYS A 37 -1.395 -4.350 -10.353 1.00 0.00 C ATOM 296 CD LYS A 37 -1.317 -5.888 -10.431 1.00 0.00 C ATOM 297 CE LYS A 37 -1.941 -6.489 -11.701 1.00 0.00 C ATOM 298 NZ LYS A 37 -1.852 -7.958 -11.706 1.00 0.00 N ATOM 0 H LYS A 37 -2.256 -1.529 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 37 0.498 -2.148 -10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.274 -3.577 -12.360 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.254 -4.158 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.998 -4.031 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.444 -4.054 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.271 -6.190 -10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.817 -6.310 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.986 -6.187 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.434 -6.090 -12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.283 -8.329 -12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.853 -8.245 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.357 -8.339 -10.881 1.00 0.00 H new ATOM 299 N THR A 38 1.807 -1.779 -12.563 1.00 0.00 N ATOM 300 CA THR A 38 2.543 -1.473 -13.837 1.00 0.00 C ATOM 301 C THR A 38 2.539 -2.608 -14.919 1.00 0.00 C ATOM 302 O THR A 38 2.981 -2.350 -16.045 1.00 0.00 O ATOM 303 CB THR A 38 3.997 -0.977 -13.570 1.00 0.00 C ATOM 304 OG1 THR A 38 4.787 -1.986 -12.955 1.00 0.00 O ATOM 305 CG2 THR A 38 4.091 0.297 -12.721 1.00 0.00 C ATOM 0 H THR A 38 2.386 -2.206 -11.840 1.00 0.00 H new ATOM 0 HA THR A 38 1.958 -0.664 -14.274 1.00 0.00 H new ATOM 0 HB THR A 38 4.381 -0.737 -14.562 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.693 -1.645 -12.802 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.138 0.568 -12.586 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.568 1.110 -13.225 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.634 0.120 -11.747 1.00 0.00 H new ATOM 306 N SER A 39 2.031 -3.828 -14.620 1.00 0.00 N ATOM 307 CA SER A 39 1.953 -4.967 -15.583 1.00 0.00 C ATOM 308 C SER A 39 1.157 -4.646 -16.885 1.00 0.00 C ATOM 309 O SER A 39 1.772 -4.610 -17.956 1.00 0.00 O ATOM 310 CB SER A 39 1.438 -6.242 -14.869 1.00 0.00 C ATOM 311 OG SER A 39 2.288 -6.624 -13.792 1.00 0.00 O ATOM 0 H SER A 39 1.659 -4.057 -13.698 1.00 0.00 H new ATOM 0 HA SER A 39 2.969 -5.154 -15.931 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.430 -6.066 -14.492 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.371 -7.059 -15.587 1.00 0.00 H new ATOM 0 HG SER A 39 1.932 -7.430 -13.364 1.00 0.00 H new ATOM 312 N ASP A 40 -0.156 -4.342 -16.802 1.00 0.00 N ATOM 313 CA ASP A 40 -0.872 -3.601 -17.883 1.00 0.00 C ATOM 314 C ASP A 40 -1.860 -2.544 -17.289 1.00 0.00 C ATOM 315 O ASP A 40 -3.049 -2.533 -17.627 1.00 0.00 O ATOM 316 CB ASP A 40 -1.506 -4.615 -18.885 1.00 0.00 C ATOM 317 CG ASP A 40 -2.045 -3.996 -20.186 1.00 0.00 C ATOM 318 OD1 ASP A 40 -1.256 -3.396 -20.946 1.00 0.00 O ATOM 319 OD2 ASP A 40 -3.263 -4.110 -20.448 1.00 0.00 O ATOM 0 H ASP A 40 -0.745 -4.592 -16.008 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.167 -3.008 -18.465 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.758 -5.365 -19.141 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.322 -5.136 -18.384 1.00 0.00 H new ATOM 320 N LYS A 41 -1.349 -1.612 -16.446 1.00 0.00 N ATOM 321 CA LYS A 41 -2.110 -0.445 -15.903 1.00 0.00 C ATOM 322 C LYS A 41 -3.431 -0.838 -15.169 1.00 0.00 C ATOM 323 O LYS A 41 -4.527 -0.518 -15.639 1.00 0.00 O ATOM 324 CB LYS A 41 -2.224 0.669 -16.986 1.00 0.00 C ATOM 325 CG LYS A 41 -2.656 2.057 -16.455 1.00 0.00 C ATOM 326 CD LYS A 41 -2.515 3.206 -17.473 1.00 0.00 C ATOM 327 CE LYS A 41 -3.499 3.139 -18.658 1.00 0.00 C ATOM 328 NZ LYS A 41 -3.311 4.276 -19.576 1.00 0.00 N ATOM 0 H LYS A 41 -0.384 -1.645 -16.116 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.540 -0.004 -15.085 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.259 0.771 -17.483 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.940 0.347 -17.742 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.696 2.001 -16.132 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.061 2.295 -15.573 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.657 4.154 -16.953 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.497 3.206 -17.863 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.356 2.204 -19.200 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.523 3.137 -18.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.987 4.203 -20.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.472 5.166 -19.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.341 4.263 -19.951 1.00 0.00 H new ATOM 329 N LYS A 42 -3.301 -1.576 -14.051 1.00 0.00 N ATOM 330 CA LYS A 42 -4.456 -2.262 -13.411 1.00 0.00 C ATOM 331 C LYS A 42 -4.737 -1.667 -12.012 1.00 0.00 C ATOM 332 O LYS A 42 -4.121 -2.078 -11.026 1.00 0.00 O ATOM 333 CB LYS A 42 -4.267 -3.806 -13.371 1.00 0.00 C ATOM 334 CG LYS A 42 -4.195 -4.554 -14.723 1.00 0.00 C ATOM 335 CD LYS A 42 -5.502 -4.530 -15.546 1.00 0.00 C ATOM 336 CE LYS A 42 -5.451 -5.292 -16.884 1.00 0.00 C ATOM 337 NZ LYS A 42 -5.389 -6.758 -16.722 1.00 0.00 N ATOM 0 H LYS A 42 -2.414 -1.717 -13.568 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.337 -2.082 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.350 -4.018 -12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.090 -4.230 -12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.397 -4.117 -15.322 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.920 -5.592 -14.534 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.303 -4.950 -14.938 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.766 -3.492 -15.748 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.332 -5.036 -17.473 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.581 -4.959 -17.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.357 -7.210 -17.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.535 -7.012 -16.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.231 -7.086 -16.208 1.00 0.00 H new ATOM 338 N LYS A 43 -5.720 -0.747 -11.927 1.00 0.00 N ATOM 339 CA LYS A 43 -6.221 -0.191 -10.635 1.00 0.00 C ATOM 340 C LYS A 43 -6.886 -1.281 -9.761 1.00 0.00 C ATOM 341 O LYS A 43 -8.025 -1.704 -9.979 1.00 0.00 O ATOM 342 CB LYS A 43 -7.090 1.077 -10.868 1.00 0.00 C ATOM 343 CG LYS A 43 -8.376 0.941 -11.715 1.00 0.00 C ATOM 344 CD LYS A 43 -9.054 2.299 -11.983 1.00 0.00 C ATOM 345 CE LYS A 43 -10.340 2.159 -12.812 1.00 0.00 C ATOM 346 NZ LYS A 43 -10.953 3.472 -13.080 1.00 0.00 N ATOM 0 H LYS A 43 -6.193 -0.364 -12.745 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.369 0.150 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.375 1.468 -9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.459 1.830 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.132 0.467 -12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.077 0.284 -11.201 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.288 2.779 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.357 2.953 -12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.114 1.662 -13.755 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.050 1.526 -12.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.819 3.343 -13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.190 3.935 -12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.283 4.066 -13.609 1.00 0.00 H new ATOM 347 N ILE A 44 -6.087 -1.751 -8.788 1.00 0.00 N ATOM 348 CA ILE A 44 -6.464 -2.850 -7.870 1.00 0.00 C ATOM 349 C ILE A 44 -7.401 -2.301 -6.757 1.00 0.00 C ATOM 350 O ILE A 44 -8.526 -2.802 -6.654 1.00 0.00 O ATOM 351 CB ILE A 44 -5.173 -3.689 -7.494 1.00 0.00 C ATOM 352 CG1 ILE A 44 -5.231 -5.150 -8.028 1.00 0.00 C ATOM 353 CG2 ILE A 44 -4.790 -3.687 -5.998 1.00 0.00 C ATOM 354 CD1 ILE A 44 -5.344 -5.304 -9.557 1.00 0.00 C ATOM 0 H ILE A 44 -5.154 -1.379 -8.612 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.095 -3.616 -8.321 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.376 -3.151 -8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.335 -5.674 -7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.083 -5.651 -7.568 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.894 -4.290 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.597 -2.665 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.609 -4.105 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.377 -6.363 -9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.255 -4.818 -9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.480 -4.841 -10.034 1.00 0.00 H new ATOM 355 N ALA A 45 -7.000 -1.257 -5.990 1.00 0.00 N ATOM 356 CA ALA A 45 -7.966 -0.527 -5.128 1.00 0.00 C ATOM 357 C ALA A 45 -7.464 0.907 -4.826 1.00 0.00 C ATOM 358 O ALA A 45 -6.286 1.247 -4.986 1.00 0.00 O ATOM 359 CB ALA A 45 -8.299 -1.369 -3.881 1.00 0.00 C ATOM 0 H ALA A 45 -6.042 -0.908 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.909 -0.388 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.007 -0.827 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.739 -2.317 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.386 -1.559 -3.316 1.00 0.00 H new ATOM 360 N GLN A 46 -8.403 1.757 -4.375 1.00 0.00 N ATOM 361 CA GLN A 46 -8.108 3.157 -3.988 1.00 0.00 C ATOM 362 C GLN A 46 -9.153 3.691 -2.970 1.00 0.00 C ATOM 363 O GLN A 46 -10.263 3.167 -2.806 1.00 0.00 O ATOM 364 CB GLN A 46 -8.020 4.062 -5.260 1.00 0.00 C ATOM 365 CG GLN A 46 -9.300 4.382 -6.071 1.00 0.00 C ATOM 366 CD GLN A 46 -10.154 5.552 -5.545 1.00 0.00 C ATOM 367 OE1 GLN A 46 -11.215 5.355 -4.950 1.00 0.00 O ATOM 368 NE2 GLN A 46 -9.713 6.783 -5.751 1.00 0.00 N ATOM 0 H GLN A 46 -9.384 1.499 -4.267 1.00 0.00 H new ATOM 0 HA GLN A 46 -7.139 3.183 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.585 5.013 -4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.312 3.593 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.010 4.602 -7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.922 3.487 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.833 6.934 -6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.253 7.581 -5.416 1.00 0.00 H new ATOM 369 N PHE A 47 -8.778 4.810 -2.339 1.00 0.00 N ATOM 370 CA PHE A 47 -9.674 5.596 -1.457 1.00 0.00 C ATOM 371 C PHE A 47 -9.682 7.047 -1.947 1.00 0.00 C ATOM 372 O PHE A 47 -8.625 7.623 -2.257 1.00 0.00 O ATOM 373 CB PHE A 47 -9.169 5.620 0.008 1.00 0.00 C ATOM 374 CG PHE A 47 -9.491 4.347 0.789 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.911 3.118 0.457 1.00 0.00 C ATOM 376 CD2 PHE A 47 -10.447 4.412 1.798 1.00 0.00 C ATOM 377 CE1 PHE A 47 -9.307 1.961 1.121 1.00 0.00 C ATOM 378 CE2 PHE A 47 -10.819 3.261 2.487 1.00 0.00 C ATOM 379 CZ PHE A 47 -10.260 2.030 2.137 1.00 0.00 C ATOM 0 H PHE A 47 -7.841 5.205 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.661 5.134 -1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.090 5.773 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.612 6.473 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.156 3.067 -0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.902 5.359 2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.876 1.009 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.538 3.320 3.290 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.566 1.132 2.653 1.00 0.00 H new ATOM 380 N ARG A 48 -10.894 7.639 -1.879 1.00 0.00 N ATOM 381 CA ARG A 48 -11.067 9.095 -2.056 1.00 0.00 C ATOM 382 C ARG A 48 -11.994 9.745 -0.972 1.00 0.00 C ATOM 383 O ARG A 48 -12.425 9.087 -0.019 1.00 0.00 O ATOM 384 CB ARG A 48 -11.486 9.362 -3.544 1.00 0.00 C ATOM 385 CG ARG A 48 -10.684 10.479 -4.236 1.00 0.00 C ATOM 386 CD ARG A 48 -11.092 10.721 -5.701 1.00 0.00 C ATOM 387 NE ARG A 48 -10.173 11.693 -6.347 1.00 0.00 N ATOM 388 CZ ARG A 48 -10.474 12.418 -7.444 1.00 0.00 C ATOM 389 NH1 ARG A 48 -11.613 12.299 -8.126 1.00 0.00 N ATOM 390 NH2 ARG A 48 -9.591 13.308 -7.863 1.00 0.00 N ATOM 0 H ARG A 48 -11.762 7.133 -1.704 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.121 9.607 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.369 8.440 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.545 9.621 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.811 11.405 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.624 10.228 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.077 9.779 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.114 11.097 -5.742 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.250 11.821 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.320 11.628 -7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.778 12.879 -8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.712 13.430 -7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.788 13.872 -8.689 1.00 0.00 H new ATOM 391 N LYS A 49 -12.245 11.070 -1.093 1.00 0.00 N ATOM 392 CA LYS A 49 -12.924 11.884 -0.048 1.00 0.00 C ATOM 393 C LYS A 49 -14.470 11.724 -0.116 1.00 0.00 C ATOM 394 O LYS A 49 -15.142 12.329 -0.959 1.00 0.00 O ATOM 395 CB LYS A 49 -12.401 13.361 -0.059 1.00 0.00 C ATOM 396 CG LYS A 49 -12.976 14.417 -1.043 1.00 0.00 C ATOM 397 CD LYS A 49 -12.845 14.144 -2.556 1.00 0.00 C ATOM 398 CE LYS A 49 -11.430 14.365 -3.108 1.00 0.00 C ATOM 399 NZ LYS A 49 -11.396 14.149 -4.562 1.00 0.00 N ATOM 0 H LYS A 49 -11.983 11.609 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.657 11.501 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.543 13.755 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.326 13.316 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.035 14.543 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.490 15.370 -0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.146 13.116 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.539 14.790 -3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.100 15.378 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.734 13.684 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.423 14.271 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.722 13.185 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.019 14.838 -5.030 1.00 0.00 H new ATOM 400 N GLU A 50 -15.015 10.872 0.770 1.00 0.00 N ATOM 401 CA GLU A 50 -16.478 10.551 0.863 1.00 0.00 C ATOM 402 C GLU A 50 -17.260 10.222 -0.461 1.00 0.00 C ATOM 403 O GLU A 50 -18.419 10.627 -0.619 1.00 0.00 O ATOM 404 CB GLU A 50 -17.213 11.535 1.824 1.00 0.00 C ATOM 405 CG GLU A 50 -17.344 13.008 1.361 1.00 0.00 C ATOM 406 CD GLU A 50 -18.116 13.885 2.344 1.00 0.00 C ATOM 407 OE1 GLU A 50 -19.365 13.933 2.260 1.00 0.00 O ATOM 408 OE2 GLU A 50 -17.483 14.540 3.200 1.00 0.00 O ATOM 0 H GLU A 50 -14.455 10.371 1.460 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.488 9.558 1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -18.215 11.147 2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.691 11.526 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.348 13.426 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.843 13.034 0.392 1.00 0.00 H new ATOM 409 N LYS A 51 -16.639 9.470 -1.392 1.00 0.00 N ATOM 410 CA LYS A 51 -17.267 9.038 -2.663 1.00 0.00 C ATOM 411 C LYS A 51 -16.315 8.026 -3.340 1.00 0.00 C ATOM 412 O LYS A 51 -15.139 8.290 -3.611 1.00 0.00 O ATOM 413 CB LYS A 51 -17.728 10.135 -3.660 1.00 0.00 C ATOM 414 CG LYS A 51 -16.709 11.233 -4.058 1.00 0.00 C ATOM 415 CD LYS A 51 -17.285 12.361 -4.939 1.00 0.00 C ATOM 416 CE LYS A 51 -18.225 13.327 -4.195 1.00 0.00 C ATOM 417 NZ LYS A 51 -18.712 14.403 -5.077 1.00 0.00 N ATOM 0 H LYS A 51 -15.679 9.141 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.222 8.597 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.058 9.639 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.601 10.629 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.298 11.674 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.880 10.765 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.459 12.931 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.827 11.914 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.074 12.772 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.700 13.763 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.342 15.033 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.903 14.948 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.235 13.988 -5.875 1.00 0.00 H new ATOM 418 N GLU A 52 -16.904 6.854 -3.602 1.00 0.00 N ATOM 419 CA GLU A 52 -16.227 5.670 -4.204 1.00 0.00 C ATOM 420 C GLU A 52 -15.088 5.114 -3.293 1.00 0.00 C ATOM 421 O GLU A 52 -13.911 5.437 -3.480 1.00 0.00 O ATOM 422 CB GLU A 52 -15.784 5.851 -5.688 1.00 0.00 C ATOM 423 CG GLU A 52 -16.881 6.199 -6.721 1.00 0.00 C ATOM 424 CD GLU A 52 -17.915 5.088 -6.948 1.00 0.00 C ATOM 425 OE1 GLU A 52 -17.632 4.143 -7.718 1.00 0.00 O ATOM 426 OE2 GLU A 52 -19.016 5.159 -6.354 1.00 0.00 O ATOM 0 H GLU A 52 -17.890 6.685 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.001 4.904 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.029 6.637 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.299 4.929 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -17.400 7.099 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.405 6.435 -7.673 1.00 0.00 H new ATOM 427 N THR A 53 -15.467 4.260 -2.323 1.00 0.00 N ATOM 428 CA THR A 53 -14.501 3.469 -1.513 1.00 0.00 C ATOM 429 C THR A 53 -14.315 2.120 -2.259 1.00 0.00 C ATOM 430 O THR A 53 -15.160 1.223 -2.175 1.00 0.00 O ATOM 431 CB THR A 53 -15.012 3.333 -0.047 1.00 0.00 C ATOM 432 OG1 THR A 53 -15.080 4.622 0.553 1.00 0.00 O ATOM 433 CG2 THR A 53 -14.125 2.462 0.861 1.00 0.00 C ATOM 0 H THR A 53 -16.442 4.095 -2.075 1.00 0.00 H new ATOM 0 HA THR A 53 -13.528 3.951 -1.418 1.00 0.00 H new ATOM 0 HB THR A 53 -15.985 2.848 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.403 4.537 1.474 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.556 2.423 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.065 1.453 0.452 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.125 2.892 0.913 1.00 0.00 H new ATOM 434 N PHE A 54 -13.205 2.020 -3.014 1.00 0.00 N ATOM 435 CA PHE A 54 -12.896 0.838 -3.849 1.00 0.00 C ATOM 436 C PHE A 54 -11.908 -0.052 -3.060 1.00 0.00 C ATOM 437 O PHE A 54 -10.736 0.299 -2.916 1.00 0.00 O ATOM 438 CB PHE A 54 -12.341 1.335 -5.222 1.00 0.00 C ATOM 439 CG PHE A 54 -11.906 0.305 -6.296 1.00 0.00 C ATOM 440 CD1 PHE A 54 -12.399 -1.008 -6.355 1.00 0.00 C ATOM 441 CD2 PHE A 54 -10.992 0.727 -7.270 1.00 0.00 C ATOM 442 CE1 PHE A 54 -11.960 -1.882 -7.347 1.00 0.00 C ATOM 443 CE2 PHE A 54 -10.553 -0.148 -8.258 1.00 0.00 C ATOM 444 CZ PHE A 54 -11.039 -1.453 -8.295 1.00 0.00 C ATOM 0 H PHE A 54 -12.497 2.753 -3.064 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.775 0.232 -4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.105 1.970 -5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.480 1.971 -5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.123 -1.343 -5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.624 1.742 -7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.336 -2.894 -7.379 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.837 0.184 -8.995 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.699 -2.133 -9.062 1.00 0.00 H new ATOM 445 N LYS A 55 -12.406 -1.197 -2.560 1.00 0.00 N ATOM 446 CA LYS A 55 -11.570 -2.301 -2.015 1.00 0.00 C ATOM 447 C LYS A 55 -12.488 -3.538 -1.783 1.00 0.00 C ATOM 448 O LYS A 55 -13.614 -3.415 -1.285 1.00 0.00 O ATOM 449 CB LYS A 55 -10.668 -1.960 -0.786 1.00 0.00 C ATOM 450 CG LYS A 55 -11.298 -1.374 0.503 1.00 0.00 C ATOM 451 CD LYS A 55 -11.857 -2.411 1.498 1.00 0.00 C ATOM 452 CE LYS A 55 -12.245 -1.785 2.851 1.00 0.00 C ATOM 453 NZ LYS A 55 -12.779 -2.802 3.774 1.00 0.00 N ATOM 0 H LYS A 55 -13.406 -1.391 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.812 -2.520 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.146 -2.875 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.911 -1.253 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.545 -0.774 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.104 -0.698 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.731 -2.894 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.112 -3.190 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.373 -1.307 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.990 -1.005 2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.032 -2.353 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.625 -3.240 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.058 -3.532 3.941 1.00 0.00 H new ATOM 454 N GLU A 56 -11.996 -4.735 -2.161 1.00 0.00 N ATOM 455 CA GLU A 56 -12.795 -5.993 -2.118 1.00 0.00 C ATOM 456 C GLU A 56 -11.883 -7.178 -1.687 1.00 0.00 C ATOM 457 O GLU A 56 -10.775 -7.341 -2.213 1.00 0.00 O ATOM 458 CB GLU A 56 -13.439 -6.228 -3.522 1.00 0.00 C ATOM 459 CG GLU A 56 -14.445 -7.393 -3.646 1.00 0.00 C ATOM 460 CD GLU A 56 -15.761 -7.179 -2.886 1.00 0.00 C ATOM 461 OE1 GLU A 56 -15.822 -7.492 -1.678 1.00 0.00 O ATOM 462 OE2 GLU A 56 -16.742 -6.696 -3.498 1.00 0.00 O ATOM 0 H GLU A 56 -11.044 -4.865 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.597 -5.916 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.945 -5.310 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.636 -6.396 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.670 -7.551 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.973 -8.305 -3.281 1.00 0.00 H new ATOM 463 N LYS A 57 -12.390 -8.040 -0.769 1.00 0.00 N ATOM 464 CA LYS A 57 -11.771 -9.361 -0.418 1.00 0.00 C ATOM 465 C LYS A 57 -10.557 -9.220 0.555 1.00 0.00 C ATOM 466 O LYS A 57 -9.786 -8.260 0.440 1.00 0.00 O ATOM 467 CB LYS A 57 -11.438 -10.202 -1.694 1.00 0.00 C ATOM 468 CG LYS A 57 -11.258 -11.732 -1.547 1.00 0.00 C ATOM 469 CD LYS A 57 -12.557 -12.545 -1.334 1.00 0.00 C ATOM 470 CE LYS A 57 -12.345 -14.073 -1.244 1.00 0.00 C ATOM 471 NZ LYS A 57 -11.971 -14.689 -2.534 1.00 0.00 N ATOM 0 H LYS A 57 -13.243 -7.845 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.522 -9.924 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.233 -10.031 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.521 -9.801 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.759 -12.108 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.591 -11.921 -0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.040 -12.203 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.243 -12.333 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.566 -14.282 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.260 -14.539 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.844 -15.713 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.723 -14.518 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.082 -14.270 -2.874 1.00 0.00 H new ATOM 472 N ASP A 58 -10.341 -10.216 1.452 1.00 0.00 N ATOM 473 CA ASP A 58 -8.989 -10.463 2.062 1.00 0.00 C ATOM 474 C ASP A 58 -8.274 -11.664 1.373 1.00 0.00 C ATOM 475 O ASP A 58 -7.913 -12.676 1.979 1.00 0.00 O ATOM 476 CB ASP A 58 -8.817 -10.429 3.610 1.00 0.00 C ATOM 477 CG ASP A 58 -10.047 -10.651 4.494 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.392 -11.824 4.767 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.676 -9.656 4.914 1.00 0.00 O ATOM 0 H ASP A 58 -11.067 -10.857 1.771 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.466 -9.535 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.078 -11.185 3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.392 -9.461 3.874 1.00 0.00 H new ATOM 480 N THR A 59 -7.936 -11.458 0.096 1.00 0.00 N ATOM 481 CA THR A 59 -6.501 -11.420 -0.308 1.00 0.00 C ATOM 482 C THR A 59 -5.799 -10.030 -0.129 1.00 0.00 C ATOM 483 O THR A 59 -4.589 -9.961 -0.350 1.00 0.00 O ATOM 484 CB THR A 59 -6.302 -11.906 -1.766 1.00 0.00 C ATOM 485 OG1 THR A 59 -6.929 -11.037 -2.708 1.00 0.00 O ATOM 486 CG2 THR A 59 -6.791 -13.339 -2.017 1.00 0.00 C ATOM 0 H THR A 59 -8.602 -11.318 -0.664 1.00 0.00 H new ATOM 0 HA THR A 59 -6.018 -12.106 0.388 1.00 0.00 H new ATOM 0 HB THR A 59 -5.221 -11.893 -1.909 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.780 -11.376 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.617 -13.605 -3.060 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.247 -14.028 -1.371 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.857 -13.403 -1.799 1.00 0.00 H new ATOM 487 N TYR A 60 -6.512 -8.949 0.226 1.00 0.00 N ATOM 488 CA TYR A 60 -5.945 -7.612 0.507 1.00 0.00 C ATOM 489 C TYR A 60 -6.607 -6.995 1.767 1.00 0.00 C ATOM 490 O TYR A 60 -7.789 -7.204 2.070 1.00 0.00 O ATOM 491 CB TYR A 60 -6.228 -6.665 -0.689 1.00 0.00 C ATOM 492 CG TYR A 60 -5.566 -6.958 -2.046 1.00 0.00 C ATOM 493 CD1 TYR A 60 -4.217 -7.306 -2.158 1.00 0.00 C ATOM 494 CD2 TYR A 60 -6.302 -6.702 -3.204 1.00 0.00 C ATOM 495 CE1 TYR A 60 -3.610 -7.366 -3.408 1.00 0.00 C ATOM 496 CE2 TYR A 60 -5.698 -6.771 -4.450 1.00 0.00 C ATOM 497 CZ TYR A 60 -4.357 -7.123 -4.557 1.00 0.00 C ATOM 498 OH TYR A 60 -3.772 -7.202 -5.790 1.00 0.00 O ATOM 0 H TYR A 60 -7.526 -8.977 0.329 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.873 -7.725 0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.306 -6.647 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.933 -5.659 -0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.644 -7.529 -1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.349 -6.448 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.559 -7.601 -3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.270 -6.551 -5.339 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.797 -7.216 -5.689 1.00 0.00 H new ATOM 499 N LYS A 61 -5.859 -6.094 2.420 1.00 0.00 N ATOM 500 CA LYS A 61 -6.465 -4.952 3.131 1.00 0.00 C ATOM 501 C LYS A 61 -5.763 -3.697 2.569 1.00 0.00 C ATOM 502 O LYS A 61 -4.699 -3.283 3.042 1.00 0.00 O ATOM 503 CB LYS A 61 -6.382 -5.087 4.678 1.00 0.00 C ATOM 504 CG LYS A 61 -7.502 -4.365 5.460 1.00 0.00 C ATOM 505 CD LYS A 61 -8.887 -5.054 5.428 1.00 0.00 C ATOM 506 CE LYS A 61 -9.174 -6.072 6.552 1.00 0.00 C ATOM 507 NZ LYS A 61 -8.412 -7.331 6.453 1.00 0.00 N ATOM 0 H LYS A 61 -4.841 -6.130 2.472 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.540 -4.896 2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.404 -6.146 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.419 -4.698 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.189 -4.265 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.608 -3.356 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.654 -4.280 5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.993 -5.564 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.954 -5.605 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.239 -6.306 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.739 -7.993 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.559 -7.753 5.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.400 -7.136 6.590 1.00 0.00 H new ATOM 508 N LEU A 62 -6.414 -3.072 1.571 1.00 0.00 N ATOM 509 CA LEU A 62 -6.085 -1.688 1.152 1.00 0.00 C ATOM 510 C LEU A 62 -6.626 -0.737 2.268 1.00 0.00 C ATOM 511 O LEU A 62 -7.815 -0.637 2.576 1.00 0.00 O ATOM 512 CB LEU A 62 -6.590 -1.387 -0.294 1.00 0.00 C ATOM 513 CG LEU A 62 -5.605 -1.704 -1.457 1.00 0.00 C ATOM 514 CD1 LEU A 62 -5.771 -3.119 -2.055 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.337 -0.562 -2.445 1.00 0.00 C ATOM 0 H LEU A 62 -7.171 -3.499 1.037 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.010 -1.529 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.506 -1.954 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.854 -0.331 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.632 -1.760 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.049 -3.261 -2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.601 -3.865 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.781 -3.231 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.637 -0.899 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.273 -0.262 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.910 0.288 -1.912 1.00 0.00 H new ATOM 516 N PHE A 63 -5.614 -0.102 2.863 1.00 0.00 N ATOM 517 CA PHE A 63 -5.619 0.777 4.049 1.00 0.00 C ATOM 518 C PHE A 63 -6.843 1.495 4.678 1.00 0.00 C ATOM 519 O PHE A 63 -7.812 1.861 4.007 1.00 0.00 O ATOM 520 CB PHE A 63 -4.638 1.894 3.586 1.00 0.00 C ATOM 521 CG PHE A 63 -5.057 2.877 2.447 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.033 2.487 1.099 1.00 0.00 C ATOM 523 CD2 PHE A 63 -5.449 4.177 2.769 1.00 0.00 C ATOM 524 CE1 PHE A 63 -5.385 3.383 0.101 1.00 0.00 C ATOM 525 CE2 PHE A 63 -5.817 5.070 1.774 1.00 0.00 C ATOM 526 CZ PHE A 63 -5.787 4.665 0.445 1.00 0.00 C ATOM 0 H PHE A 63 -4.669 -0.197 2.492 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.436 0.086 4.872 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.396 2.496 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.716 1.406 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.738 1.482 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.466 4.490 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.346 3.085 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.125 6.073 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.081 5.358 -0.330 1.00 0.00 H new ATOM 527 N LYS A 64 -6.623 1.902 5.944 1.00 0.00 N ATOM 528 CA LYS A 64 -6.780 3.331 6.317 1.00 0.00 C ATOM 529 C LYS A 64 -5.481 3.785 7.056 1.00 0.00 C ATOM 530 O LYS A 64 -5.360 3.666 8.279 1.00 0.00 O ATOM 531 CB LYS A 64 -8.061 3.592 7.157 1.00 0.00 C ATOM 532 CG LYS A 64 -9.403 3.338 6.434 1.00 0.00 C ATOM 533 CD LYS A 64 -10.664 3.655 7.262 1.00 0.00 C ATOM 534 CE LYS A 64 -10.895 2.702 8.456 1.00 0.00 C ATOM 535 NZ LYS A 64 -12.158 3.012 9.146 1.00 0.00 N ATOM 0 H LYS A 64 -6.344 1.287 6.708 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.914 3.927 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.024 2.962 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.044 4.627 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.426 3.936 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.441 2.292 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.592 4.676 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.534 3.616 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.913 1.671 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.064 2.785 9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.288 2.357 9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.129 3.989 9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.951 2.909 8.481 1.00 0.00 H new ATOM 536 N ASN A 65 -4.525 4.287 6.249 1.00 0.00 N ATOM 537 CA ASN A 65 -3.213 4.899 6.608 1.00 0.00 C ATOM 538 C ASN A 65 -2.185 4.784 5.410 1.00 0.00 C ATOM 539 O ASN A 65 -1.032 4.392 5.608 1.00 0.00 O ATOM 540 CB ASN A 65 -2.578 4.576 8.006 1.00 0.00 C ATOM 541 CG ASN A 65 -2.179 3.134 8.424 1.00 0.00 C ATOM 542 OD1 ASN A 65 -1.718 2.929 9.543 1.00 0.00 O ATOM 543 ND2 ASN A 65 -2.332 2.112 7.591 1.00 0.00 N ATOM 0 H ASN A 65 -4.655 4.278 5.237 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.478 5.944 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.678 5.186 8.089 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.279 4.937 8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.068 1.171 7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.714 2.267 6.658 1.00 0.00 H new ATOM 544 N GLY A 66 -2.594 5.149 4.167 1.00 0.00 N ATOM 545 CA GLY A 66 -1.756 5.091 2.936 1.00 0.00 C ATOM 546 C GLY A 66 -0.989 3.788 2.606 1.00 0.00 C ATOM 547 O GLY A 66 0.246 3.815 2.564 1.00 0.00 O ATOM 0 H GLY A 66 -3.535 5.499 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.403 5.315 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.024 5.896 2.999 1.00 0.00 H new ATOM 548 N THR A 67 -1.693 2.645 2.444 1.00 0.00 N ATOM 549 CA THR A 67 -1.085 1.307 2.727 1.00 0.00 C ATOM 550 C THR A 67 -1.774 0.158 1.906 1.00 0.00 C ATOM 551 O THR A 67 -2.831 0.295 1.288 1.00 0.00 O ATOM 552 CB THR A 67 -1.097 1.146 4.298 1.00 0.00 C ATOM 553 OG1 THR A 67 0.080 1.741 4.828 1.00 0.00 O ATOM 554 CG2 THR A 67 -1.211 -0.253 4.917 1.00 0.00 C ATOM 0 H THR A 67 -2.662 2.611 2.126 1.00 0.00 H new ATOM 0 HA THR A 67 -0.053 1.233 2.384 1.00 0.00 H new ATOM 0 HB THR A 67 -2.036 1.629 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.123 2.648 5.137 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.204 -0.172 6.004 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.142 -0.719 4.594 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.368 -0.864 4.593 1.00 0.00 H new ATOM 555 N LEU A 68 -1.141 -1.019 1.931 1.00 0.00 N ATOM 556 CA LEU A 68 -1.733 -2.311 1.507 1.00 0.00 C ATOM 557 C LEU A 68 -1.279 -3.441 2.492 1.00 0.00 C ATOM 558 O LEU A 68 -0.261 -3.320 3.179 1.00 0.00 O ATOM 559 CB LEU A 68 -1.320 -2.552 0.026 1.00 0.00 C ATOM 560 CG LEU A 68 -2.379 -3.179 -0.891 1.00 0.00 C ATOM 561 CD1 LEU A 68 -2.312 -2.597 -2.323 1.00 0.00 C ATOM 562 CD2 LEU A 68 -2.287 -4.678 -0.982 1.00 0.00 C ATOM 0 H LEU A 68 -0.178 -1.112 2.253 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.822 -2.305 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.021 -1.596 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.440 -3.195 0.018 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.331 -2.925 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.077 -3.066 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.483 -1.521 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.329 -2.794 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.066 -5.051 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.310 -4.959 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.418 -5.111 0.009 1.00 0.00 H new ATOM 563 N LYS A 69 -2.053 -4.541 2.578 1.00 0.00 N ATOM 564 CA LYS A 69 -1.712 -5.717 3.431 1.00 0.00 C ATOM 565 C LYS A 69 -2.231 -6.999 2.720 1.00 0.00 C ATOM 566 O LYS A 69 -3.366 -7.433 2.933 1.00 0.00 O ATOM 567 CB LYS A 69 -2.293 -5.509 4.856 1.00 0.00 C ATOM 568 CG LYS A 69 -1.867 -6.567 5.903 1.00 0.00 C ATOM 569 CD LYS A 69 -2.348 -6.281 7.336 1.00 0.00 C ATOM 570 CE LYS A 69 -3.879 -6.339 7.536 1.00 0.00 C ATOM 571 NZ LYS A 69 -4.247 -6.097 8.944 1.00 0.00 N ATOM 0 H LYS A 69 -2.928 -4.648 2.065 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.635 -5.829 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.991 -4.525 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.381 -5.504 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.249 -7.540 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.779 -6.638 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.881 -7.000 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.996 -5.293 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.359 -5.595 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.252 -7.314 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.281 -6.143 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.808 -6.822 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.912 -5.156 9.234 1.00 0.00 H new ATOM 572 N ILE A 70 -1.379 -7.610 1.878 1.00 0.00 N ATOM 573 CA ILE A 70 -1.767 -8.674 0.919 1.00 0.00 C ATOM 574 C ILE A 70 -1.816 -10.008 1.710 1.00 0.00 C ATOM 575 O ILE A 70 -0.773 -10.574 2.046 1.00 0.00 O ATOM 576 CB ILE A 70 -0.807 -8.746 -0.327 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.446 -7.404 -1.025 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.445 -9.677 -1.378 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.870 -7.366 -1.820 1.00 0.00 C ATOM 0 H ILE A 70 -0.386 -7.379 1.840 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.746 -8.454 0.494 1.00 0.00 H new ATOM 0 HB ILE A 70 0.137 -9.110 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.259 -7.144 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.405 -6.626 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.795 -9.741 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.577 -10.671 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.415 -9.278 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.003 -6.376 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.704 -7.584 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.836 -8.111 -2.615 1.00 0.00 H new ATOM 580 N LYS A 71 -3.035 -10.449 2.062 1.00 0.00 N ATOM 581 CA LYS A 71 -3.259 -11.236 3.299 1.00 0.00 C ATOM 582 C LYS A 71 -3.161 -12.759 3.002 1.00 0.00 C ATOM 583 O LYS A 71 -4.156 -13.412 2.676 1.00 0.00 O ATOM 584 CB LYS A 71 -4.620 -10.761 3.899 1.00 0.00 C ATOM 585 CG LYS A 71 -4.865 -11.025 5.405 1.00 0.00 C ATOM 586 CD LYS A 71 -5.099 -12.482 5.859 1.00 0.00 C ATOM 587 CE LYS A 71 -6.410 -13.105 5.347 1.00 0.00 C ATOM 588 NZ LYS A 71 -6.568 -14.492 5.817 1.00 0.00 N ATOM 0 H LYS A 71 -3.879 -10.278 1.515 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.488 -11.066 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.708 -9.688 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.422 -11.241 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.007 -10.638 5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.731 -10.437 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.263 -13.094 5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.097 -12.515 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.255 -12.506 5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.422 -13.085 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.461 -14.882 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.774 -15.068 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.581 -14.507 6.857 1.00 0.00 H new ATOM 589 N HIS A 72 -1.931 -13.299 3.154 1.00 0.00 N ATOM 590 CA HIS A 72 -1.617 -14.752 3.128 1.00 0.00 C ATOM 591 C HIS A 72 -1.984 -15.450 1.791 1.00 0.00 C ATOM 592 O HIS A 72 -3.134 -15.879 1.673 1.00 0.00 O ATOM 593 CB HIS A 72 -2.161 -15.486 4.394 1.00 0.00 C ATOM 594 CG HIS A 72 -1.530 -16.858 4.658 1.00 0.00 C ATOM 595 ND1 HIS A 72 -1.978 -18.056 4.116 1.00 0.00 N ATOM 596 CD2 HIS A 72 -0.408 -17.090 5.476 1.00 0.00 C ATOM 597 CE1 HIS A 72 -1.056 -18.917 4.652 1.00 0.00 C ATOM 598 NE2 HIS A 72 -0.088 -18.436 5.487 1.00 0.00 N ATOM 0 H HIS A 72 -1.103 -12.722 3.303 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.531 -14.830 3.173 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.996 -14.851 5.265 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.239 -15.611 4.290 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.128 -16.325 6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.095 -19.970 4.415 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.658 -18.929 5.978 1.00 0.00 H new ATOM 599 N LEU A 73 -1.043 -15.563 0.823 1.00 0.00 N ATOM 600 CA LEU A 73 -1.041 -16.654 -0.210 1.00 0.00 C ATOM 601 C LEU A 73 0.157 -16.509 -1.219 1.00 0.00 C ATOM 602 O LEU A 73 0.813 -15.474 -1.327 1.00 0.00 O ATOM 603 CB LEU A 73 -2.420 -16.962 -0.901 1.00 0.00 C ATOM 604 CG LEU A 73 -3.223 -18.141 -0.270 1.00 0.00 C ATOM 605 CD1 LEU A 73 -4.735 -17.997 -0.531 1.00 0.00 C ATOM 606 CD2 LEU A 73 -2.726 -19.520 -0.731 1.00 0.00 C ATOM 0 H LEU A 73 -0.265 -14.911 0.727 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.871 -17.564 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.036 -16.063 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.241 -17.186 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.047 -18.082 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.264 -18.835 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.092 -17.064 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.920 -17.990 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.324 -20.299 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.821 -19.597 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.680 -19.643 -0.448 1.00 0.00 H new ATOM 607 N LYS A 74 0.379 -17.624 -1.947 1.00 0.00 N ATOM 608 CA LYS A 74 1.179 -17.804 -3.211 1.00 0.00 C ATOM 609 C LYS A 74 1.527 -16.585 -4.141 1.00 0.00 C ATOM 610 O LYS A 74 1.055 -15.462 -3.972 1.00 0.00 O ATOM 611 CB LYS A 74 0.407 -18.861 -4.076 1.00 0.00 C ATOM 612 CG LYS A 74 -0.024 -20.213 -3.444 1.00 0.00 C ATOM 613 CD LYS A 74 -0.804 -21.107 -4.433 1.00 0.00 C ATOM 614 CE LYS A 74 -1.392 -22.407 -3.840 1.00 0.00 C ATOM 615 NZ LYS A 74 -0.373 -23.416 -3.496 1.00 0.00 N ATOM 0 H LYS A 74 -0.028 -18.511 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 74 2.166 -18.076 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.494 -18.377 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.030 -19.091 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.861 -20.747 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.643 -20.020 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.620 -20.522 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.140 -21.372 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.964 -22.161 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.091 -22.839 -4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.838 -24.260 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.158 -23.679 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.281 -23.022 -2.790 1.00 0.00 H new ATOM 616 N THR A 75 2.345 -16.848 -5.181 1.00 0.00 N ATOM 617 CA THR A 75 2.821 -15.854 -6.177 1.00 0.00 C ATOM 618 C THR A 75 1.735 -15.030 -6.927 1.00 0.00 C ATOM 619 O THR A 75 1.831 -13.804 -7.024 1.00 0.00 O ATOM 620 CB THR A 75 3.868 -16.508 -7.140 1.00 0.00 C ATOM 621 OG1 THR A 75 4.890 -17.175 -6.401 1.00 0.00 O ATOM 622 CG2 THR A 75 4.588 -15.536 -8.094 1.00 0.00 C ATOM 0 H THR A 75 2.706 -17.785 -5.360 1.00 0.00 H new ATOM 0 HA THR A 75 3.307 -15.079 -5.584 1.00 0.00 H new ATOM 0 HB THR A 75 3.265 -17.188 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.533 -17.578 -7.022 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.290 -16.090 -8.716 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.854 -15.039 -8.729 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.129 -14.790 -7.513 1.00 0.00 H new ATOM 623 N ASP A 76 0.716 -15.734 -7.427 1.00 0.00 N ATOM 624 CA ASP A 76 -0.494 -15.110 -8.042 1.00 0.00 C ATOM 625 C ASP A 76 -1.441 -14.267 -7.121 1.00 0.00 C ATOM 626 O ASP A 76 -2.178 -13.418 -7.632 1.00 0.00 O ATOM 627 CB ASP A 76 -1.259 -16.181 -8.874 1.00 0.00 C ATOM 628 CG ASP A 76 -1.943 -17.318 -8.083 1.00 0.00 C ATOM 629 OD1 ASP A 76 -1.264 -18.305 -7.727 1.00 0.00 O ATOM 630 OD2 ASP A 76 -3.162 -17.216 -7.815 1.00 0.00 O ATOM 0 H ASP A 76 0.691 -16.754 -7.424 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.099 -14.324 -8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.021 -15.672 -9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.557 -16.630 -9.577 1.00 0.00 H new ATOM 631 N ASP A 77 -1.389 -14.465 -5.792 1.00 0.00 N ATOM 632 CA ASP A 77 -1.984 -13.536 -4.794 1.00 0.00 C ATOM 633 C ASP A 77 -1.316 -12.119 -4.694 1.00 0.00 C ATOM 634 O ASP A 77 -2.010 -11.169 -4.318 1.00 0.00 O ATOM 635 CB ASP A 77 -1.898 -14.261 -3.421 1.00 0.00 C ATOM 636 CG ASP A 77 -2.818 -13.733 -2.324 1.00 0.00 C ATOM 637 OD1 ASP A 77 -3.971 -14.196 -2.256 1.00 0.00 O ATOM 638 OD2 ASP A 77 -2.387 -12.895 -1.505 1.00 0.00 O ATOM 0 H ASP A 77 -0.933 -15.274 -5.371 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.003 -13.318 -5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.120 -15.317 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.870 -14.200 -3.065 1.00 0.00 H new ATOM 639 N GLN A 78 0.010 -11.998 -4.938 1.00 0.00 N ATOM 640 CA GLN A 78 0.816 -10.847 -4.453 1.00 0.00 C ATOM 641 C GLN A 78 1.900 -10.476 -5.496 1.00 0.00 C ATOM 642 O GLN A 78 2.801 -11.265 -5.793 1.00 0.00 O ATOM 643 CB GLN A 78 1.362 -11.079 -3.019 1.00 0.00 C ATOM 644 CG GLN A 78 1.961 -12.439 -2.601 1.00 0.00 C ATOM 645 CD GLN A 78 2.273 -12.503 -1.092 1.00 0.00 C ATOM 646 OE1 GLN A 78 1.476 -12.084 -0.253 1.00 0.00 O ATOM 647 NE2 GLN A 78 3.413 -13.051 -0.709 1.00 0.00 N ATOM 0 H GLN A 78 0.547 -12.684 -5.469 1.00 0.00 H new ATOM 0 HA GLN A 78 0.168 -9.976 -4.357 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.131 -10.326 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.545 -10.866 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.263 -13.235 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.875 -12.620 -3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.072 -13.398 -1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.634 -13.127 0.284 1.00 0.00 H new ATOM 648 N ASP A 79 1.746 -9.272 -6.086 1.00 0.00 N ATOM 649 CA ASP A 79 2.321 -8.943 -7.418 1.00 0.00 C ATOM 650 C ASP A 79 2.870 -7.471 -7.491 1.00 0.00 C ATOM 651 O ASP A 79 3.272 -6.887 -6.484 1.00 0.00 O ATOM 652 CB ASP A 79 1.218 -9.256 -8.476 1.00 0.00 C ATOM 653 CG ASP A 79 0.953 -10.741 -8.778 1.00 0.00 C ATOM 654 OD1 ASP A 79 1.812 -11.398 -9.406 1.00 0.00 O ATOM 655 OD2 ASP A 79 -0.115 -11.254 -8.378 1.00 0.00 O ATOM 0 H ASP A 79 1.226 -8.504 -5.662 1.00 0.00 H new ATOM 0 HA ASP A 79 3.202 -9.552 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.285 -8.805 -8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.491 -8.762 -9.409 1.00 0.00 H new ATOM 656 N ILE A 80 2.941 -6.887 -8.706 1.00 0.00 N ATOM 657 CA ILE A 80 3.608 -5.596 -9.001 1.00 0.00 C ATOM 658 C ILE A 80 2.602 -4.431 -8.767 1.00 0.00 C ATOM 659 O ILE A 80 1.446 -4.504 -9.180 1.00 0.00 O ATOM 660 CB ILE A 80 4.219 -5.636 -10.453 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.302 -6.751 -10.619 1.00 0.00 C ATOM 662 CG2 ILE A 80 4.820 -4.274 -10.872 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.736 -7.075 -12.059 1.00 0.00 C ATOM 0 H ILE A 80 2.524 -7.311 -9.535 1.00 0.00 H new ATOM 0 HA ILE A 80 4.445 -5.421 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 80 3.381 -5.869 -11.110 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.186 -6.455 -10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.923 -7.666 -10.162 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.229 -4.351 -11.880 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.041 -3.512 -10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.614 -3.998 -10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.490 -7.862 -12.043 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.872 -7.411 -12.633 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.154 -6.182 -12.523 1.00 0.00 H new ATOM 664 N TYR A 81 3.073 -3.359 -8.104 1.00 0.00 N ATOM 665 CA TYR A 81 2.221 -2.210 -7.684 1.00 0.00 C ATOM 666 C TYR A 81 2.922 -0.844 -7.968 1.00 0.00 C ATOM 667 O TYR A 81 4.071 -0.762 -8.413 1.00 0.00 O ATOM 668 CB TYR A 81 1.829 -2.405 -6.184 1.00 0.00 C ATOM 669 CG TYR A 81 0.876 -3.588 -5.889 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.419 -3.690 -6.432 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.405 -4.680 -5.199 1.00 0.00 C ATOM 672 CE1 TYR A 81 -1.078 -4.918 -6.413 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.727 -5.886 -5.153 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.495 -6.021 -5.794 1.00 0.00 C ATOM 675 OH TYR A 81 -1.065 -7.262 -5.863 1.00 0.00 O ATOM 0 H TYR A 81 4.053 -3.256 -7.840 1.00 0.00 H new ATOM 0 HA TYR A 81 1.305 -2.185 -8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.741 -2.544 -5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.361 -1.487 -5.827 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.899 -2.822 -6.860 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.355 -4.583 -4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.046 -5.015 -6.881 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.150 -6.723 -4.617 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.982 -7.709 -4.995 1.00 0.00 H new ATOM 676 N LYS A 82 2.191 0.253 -7.733 1.00 0.00 N ATOM 677 CA LYS A 82 2.726 1.638 -7.753 1.00 0.00 C ATOM 678 C LYS A 82 1.716 2.569 -7.032 1.00 0.00 C ATOM 679 O LYS A 82 0.502 2.436 -7.210 1.00 0.00 O ATOM 680 CB LYS A 82 3.115 2.211 -9.149 1.00 0.00 C ATOM 681 CG LYS A 82 2.015 2.318 -10.231 1.00 0.00 C ATOM 682 CD LYS A 82 2.381 3.312 -11.349 1.00 0.00 C ATOM 683 CE LYS A 82 1.339 3.354 -12.480 1.00 0.00 C ATOM 684 NZ LYS A 82 1.734 4.309 -13.529 1.00 0.00 N ATOM 0 H LYS A 82 1.194 0.212 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 82 3.681 1.594 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.528 3.208 -8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.917 1.592 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.842 1.334 -10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.080 2.629 -9.765 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.485 4.309 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.351 3.041 -11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.227 2.360 -12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.368 3.636 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.014 4.318 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.818 5.261 -13.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.650 4.024 -13.931 1.00 0.00 H new ATOM 685 N VAL A 83 2.224 3.530 -6.242 1.00 0.00 N ATOM 686 CA VAL A 83 1.382 4.442 -5.423 1.00 0.00 C ATOM 687 C VAL A 83 1.260 5.859 -6.058 1.00 0.00 C ATOM 688 O VAL A 83 2.205 6.370 -6.667 1.00 0.00 O ATOM 689 CB VAL A 83 1.885 4.421 -3.941 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.186 5.205 -3.656 1.00 0.00 C ATOM 691 CG2 VAL A 83 0.794 4.770 -2.910 1.00 0.00 C ATOM 0 H VAL A 83 3.225 3.703 -6.148 1.00 0.00 H new ATOM 0 HA VAL A 83 0.353 4.082 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 83 2.148 3.371 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.438 5.120 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.997 4.794 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.042 6.255 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.217 4.735 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.413 5.772 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.021 4.050 -2.985 1.00 0.00 H new ATOM 692 N SER A 84 0.098 6.502 -5.845 1.00 0.00 N ATOM 693 CA SER A 84 -0.063 7.972 -6.018 1.00 0.00 C ATOM 694 C SER A 84 -0.837 8.525 -4.788 1.00 0.00 C ATOM 695 O SER A 84 -1.775 7.904 -4.274 1.00 0.00 O ATOM 696 CB SER A 84 -0.805 8.345 -7.314 1.00 0.00 C ATOM 697 OG SER A 84 -0.190 7.782 -8.465 1.00 0.00 O ATOM 0 H SER A 84 -0.756 6.028 -5.550 1.00 0.00 H new ATOM 0 HA SER A 84 0.930 8.416 -6.092 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.838 8.002 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.835 9.430 -7.414 1.00 0.00 H new ATOM 0 HG SER A 84 -0.693 8.042 -9.265 1.00 0.00 H new ATOM 698 N ILE A 85 -0.429 9.720 -4.346 1.00 0.00 N ATOM 699 CA ILE A 85 -0.960 10.380 -3.114 1.00 0.00 C ATOM 700 C ILE A 85 -1.578 11.736 -3.575 1.00 0.00 C ATOM 701 O ILE A 85 -0.925 12.545 -4.237 1.00 0.00 O ATOM 702 CB ILE A 85 0.129 10.520 -1.981 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.715 9.135 -1.549 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.410 11.303 -0.752 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.725 9.103 -0.388 1.00 0.00 C ATOM 0 H ILE A 85 0.283 10.272 -4.825 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.728 9.769 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 85 0.946 11.099 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.121 8.489 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.195 8.690 -2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.372 11.376 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.710 12.304 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.270 10.779 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.039 8.075 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.594 9.708 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.258 9.503 0.512 1.00 0.00 H new ATOM 706 N TYR A 86 -2.839 11.961 -3.177 1.00 0.00 N ATOM 707 CA TYR A 86 -3.621 13.180 -3.525 1.00 0.00 C ATOM 708 C TYR A 86 -4.221 13.755 -2.206 1.00 0.00 C ATOM 709 O TYR A 86 -4.681 13.007 -1.336 1.00 0.00 O ATOM 710 CB TYR A 86 -4.746 12.932 -4.583 1.00 0.00 C ATOM 711 CG TYR A 86 -4.517 11.895 -5.703 1.00 0.00 C ATOM 712 CD1 TYR A 86 -4.787 10.540 -5.472 1.00 0.00 C ATOM 713 CD2 TYR A 86 -4.045 12.295 -6.958 1.00 0.00 C ATOM 714 CE1 TYR A 86 -4.589 9.606 -6.478 1.00 0.00 C ATOM 715 CE2 TYR A 86 -3.853 11.356 -7.970 1.00 0.00 C ATOM 716 CZ TYR A 86 -4.140 10.012 -7.733 1.00 0.00 C ATOM 717 OH TYR A 86 -3.992 9.077 -8.722 1.00 0.00 O ATOM 0 H TYR A 86 -3.359 11.302 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.943 13.892 -3.997 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.645 12.636 -4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.962 13.887 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.151 10.221 -4.506 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.828 13.337 -7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.783 8.561 -6.288 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.483 11.668 -8.935 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.673 9.513 -9.539 1.00 0.00 H new ATOM 718 N ASP A 87 -4.251 15.094 -2.065 1.00 0.00 N ATOM 719 CA ASP A 87 -4.811 15.771 -0.856 1.00 0.00 C ATOM 720 C ASP A 87 -6.370 15.691 -0.727 1.00 0.00 C ATOM 721 O ASP A 87 -7.047 15.025 -1.517 1.00 0.00 O ATOM 722 CB ASP A 87 -4.209 17.207 -0.732 1.00 0.00 C ATOM 723 CG ASP A 87 -4.356 18.220 -1.880 1.00 0.00 C ATOM 724 OD1 ASP A 87 -5.308 18.122 -2.683 1.00 0.00 O ATOM 725 OD2 ASP A 87 -3.508 19.135 -1.971 1.00 0.00 O ATOM 0 H ASP A 87 -3.895 15.739 -2.770 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.492 15.208 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.646 17.663 0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.142 17.092 -0.539 1.00 0.00 H new ATOM 726 N THR A 88 -6.934 16.381 0.285 1.00 0.00 N ATOM 727 CA THR A 88 -8.413 16.614 0.390 1.00 0.00 C ATOM 728 C THR A 88 -9.132 17.269 -0.838 1.00 0.00 C ATOM 729 O THR A 88 -10.282 16.921 -1.110 1.00 0.00 O ATOM 730 CB THR A 88 -8.867 17.258 1.742 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.802 18.679 1.684 1.00 0.00 O ATOM 732 CG2 THR A 88 -8.275 16.742 3.064 1.00 0.00 C ATOM 0 H THR A 88 -6.398 16.792 1.049 1.00 0.00 H new ATOM 0 HA THR A 88 -8.773 15.585 0.375 1.00 0.00 H new ATOM 0 HB THR A 88 -9.895 16.900 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.337 19.018 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.702 17.301 3.897 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.510 15.684 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.193 16.875 3.054 1.00 0.00 H new ATOM 733 N LYS A 89 -8.459 18.173 -1.576 1.00 0.00 N ATOM 734 CA LYS A 89 -8.910 18.635 -2.917 1.00 0.00 C ATOM 735 C LYS A 89 -8.769 17.574 -4.060 1.00 0.00 C ATOM 736 O LYS A 89 -9.627 17.558 -4.948 1.00 0.00 O ATOM 737 CB LYS A 89 -8.164 19.970 -3.211 1.00 0.00 C ATOM 738 CG LYS A 89 -8.594 20.774 -4.465 1.00 0.00 C ATOM 739 CD LYS A 89 -7.796 20.449 -5.745 1.00 0.00 C ATOM 740 CE LYS A 89 -8.224 21.320 -6.941 1.00 0.00 C ATOM 741 NZ LYS A 89 -7.480 20.966 -8.160 1.00 0.00 N ATOM 0 H LYS A 89 -7.589 18.607 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.988 18.797 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.279 20.617 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.101 19.747 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.651 20.587 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.492 21.838 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.733 20.596 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.932 19.397 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.293 21.198 -7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.058 22.371 -6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.991 21.320 -8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.533 21.395 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.389 19.932 -8.223 1.00 0.00 H new ATOM 742 N GLY A 90 -7.707 16.742 -4.085 1.00 0.00 N ATOM 743 CA GLY A 90 -7.335 15.938 -5.270 1.00 0.00 C ATOM 744 C GLY A 90 -6.234 16.644 -6.086 1.00 0.00 C ATOM 745 O GLY A 90 -6.514 17.190 -7.158 1.00 0.00 O ATOM 0 H GLY A 90 -7.085 16.608 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.986 14.955 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.212 15.778 -5.897 1.00 0.00 H new ATOM 746 N LYS A 91 -5.000 16.633 -5.553 1.00 0.00 N ATOM 747 CA LYS A 91 -3.818 17.263 -6.196 1.00 0.00 C ATOM 748 C LYS A 91 -2.636 16.278 -6.005 1.00 0.00 C ATOM 749 O LYS A 91 -2.166 16.061 -4.883 1.00 0.00 O ATOM 750 CB LYS A 91 -3.539 18.665 -5.581 1.00 0.00 C ATOM 751 CG LYS A 91 -2.378 19.483 -6.194 1.00 0.00 C ATOM 752 CD LYS A 91 -2.564 19.974 -7.651 1.00 0.00 C ATOM 753 CE LYS A 91 -3.688 21.007 -7.886 1.00 0.00 C ATOM 754 NZ LYS A 91 -3.412 22.313 -7.253 1.00 0.00 N ATOM 0 H LYS A 91 -4.786 16.187 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.981 17.440 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.450 19.258 -5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.337 18.534 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.205 20.354 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.475 18.874 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.623 20.409 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.759 19.107 -8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.824 21.150 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.626 20.611 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.200 22.965 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.309 22.186 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.533 22.709 -7.643 1.00 0.00 H new ATOM 755 N ASN A 92 -2.144 15.718 -7.130 1.00 0.00 N ATOM 756 CA ASN A 92 -1.033 14.724 -7.149 1.00 0.00 C ATOM 757 C ASN A 92 0.295 15.322 -6.584 1.00 0.00 C ATOM 758 O ASN A 92 0.838 16.291 -7.123 1.00 0.00 O ATOM 759 CB ASN A 92 -0.947 14.108 -8.585 1.00 0.00 C ATOM 760 CG ASN A 92 0.398 13.504 -9.045 1.00 0.00 C ATOM 761 OD1 ASN A 92 0.908 12.551 -8.448 1.00 0.00 O ATOM 762 ND2 ASN A 92 1.006 14.043 -10.095 1.00 0.00 N ATOM 0 H ASN A 92 -2.503 15.939 -8.059 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.234 13.899 -6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.704 13.327 -8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.223 14.886 -9.297 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.900 13.670 -10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 92 0.579 14.830 -10.583 1.00 0.00 H new ATOM 763 N VAL A 93 0.789 14.701 -5.496 1.00 0.00 N ATOM 764 CA VAL A 93 2.031 15.113 -4.790 1.00 0.00 C ATOM 765 C VAL A 93 3.079 13.978 -4.978 1.00 0.00 C ATOM 766 O VAL A 93 3.866 14.014 -5.927 1.00 0.00 O ATOM 767 CB VAL A 93 1.778 15.639 -3.322 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.501 17.159 -3.293 1.00 0.00 C ATOM 769 CG2 VAL A 93 0.726 14.892 -2.462 1.00 0.00 C ATOM 0 H VAL A 93 0.337 13.890 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 93 2.460 16.011 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 93 2.727 15.409 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.333 17.479 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.358 17.693 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.617 17.379 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.658 15.362 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.245 14.938 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.025 13.850 -2.346 1.00 0.00 H new ATOM 770 N LEU A 94 3.073 12.983 -4.081 1.00 0.00 N ATOM 771 CA LEU A 94 4.105 11.909 -4.018 1.00 0.00 C ATOM 772 C LEU A 94 3.651 10.690 -4.870 1.00 0.00 C ATOM 773 O LEU A 94 2.548 10.169 -4.680 1.00 0.00 O ATOM 774 CB LEU A 94 4.362 11.566 -2.518 1.00 0.00 C ATOM 775 CG LEU A 94 5.547 10.605 -2.171 1.00 0.00 C ATOM 776 CD1 LEU A 94 6.019 10.825 -0.722 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.220 9.105 -2.351 1.00 0.00 C ATOM 0 H LEU A 94 2.350 12.889 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 94 5.052 12.236 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.527 12.503 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.449 11.127 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 94 6.331 10.858 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.843 10.147 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.354 11.855 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.194 10.629 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.094 8.508 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.388 8.834 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.947 8.914 -3.389 1.00 0.00 H new ATOM 778 N GLU A 95 4.539 10.231 -5.774 1.00 0.00 N ATOM 779 CA GLU A 95 4.314 9.002 -6.584 1.00 0.00 C ATOM 780 C GLU A 95 5.612 8.141 -6.651 1.00 0.00 C ATOM 781 O GLU A 95 6.706 8.653 -6.903 1.00 0.00 O ATOM 782 CB GLU A 95 3.702 9.320 -7.977 1.00 0.00 C ATOM 783 CG GLU A 95 4.531 10.204 -8.939 1.00 0.00 C ATOM 784 CD GLU A 95 3.830 10.403 -10.284 1.00 0.00 C ATOM 785 OE1 GLU A 95 3.985 9.546 -11.179 1.00 0.00 O ATOM 786 OE2 GLU A 95 3.120 11.419 -10.450 1.00 0.00 O ATOM 0 H GLU A 95 5.428 10.693 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 95 3.563 8.394 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.501 8.374 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.740 9.807 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.709 11.175 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.506 9.745 -9.103 1.00 0.00 H new ATOM 787 N LYS A 96 5.459 6.826 -6.407 1.00 0.00 N ATOM 788 CA LYS A 96 6.584 5.844 -6.347 1.00 0.00 C ATOM 789 C LYS A 96 6.120 4.478 -6.954 1.00 0.00 C ATOM 790 O LYS A 96 4.926 4.225 -7.136 1.00 0.00 O ATOM 791 CB LYS A 96 7.079 5.671 -4.876 1.00 0.00 C ATOM 792 CG LYS A 96 7.806 6.860 -4.210 1.00 0.00 C ATOM 793 CD LYS A 96 9.186 7.203 -4.802 1.00 0.00 C ATOM 794 CE LYS A 96 9.872 8.362 -4.058 1.00 0.00 C ATOM 795 NZ LYS A 96 11.201 8.653 -4.626 1.00 0.00 N ATOM 0 H LYS A 96 4.547 6.401 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 96 7.422 6.218 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.215 5.421 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.749 4.812 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.169 7.741 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.928 6.642 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.825 6.321 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.072 7.467 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.247 9.253 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.973 8.110 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.638 9.439 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.804 7.809 -4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.101 8.917 -5.627 1.00 0.00 H new ATOM 796 N ILE A 97 7.080 3.587 -7.282 1.00 0.00 N ATOM 797 CA ILE A 97 6.801 2.275 -7.957 1.00 0.00 C ATOM 798 C ILE A 97 7.368 1.121 -7.062 1.00 0.00 C ATOM 799 O ILE A 97 8.312 1.300 -6.284 1.00 0.00 O ATOM 800 CB ILE A 97 7.309 2.262 -9.445 1.00 0.00 C ATOM 801 CG1 ILE A 97 6.774 3.478 -10.270 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.007 0.927 -10.182 1.00 0.00 C ATOM 803 CD1 ILE A 97 7.222 3.620 -11.730 1.00 0.00 C ATOM 0 H ILE A 97 8.070 3.744 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 97 5.727 2.116 -8.049 1.00 0.00 H new ATOM 0 HB ILE A 97 8.393 2.354 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.685 3.434 -10.259 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.061 4.389 -9.744 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.383 0.982 -11.204 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.496 0.104 -9.660 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.931 0.757 -10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.767 4.510 -12.165 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.307 3.710 -11.770 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.910 2.741 -12.293 1.00 0.00 H new ATOM 804 N PHE A 98 6.710 -0.048 -7.131 1.00 0.00 N ATOM 805 CA PHE A 98 6.914 -1.199 -6.198 1.00 0.00 C ATOM 806 C PHE A 98 6.737 -2.509 -7.030 1.00 0.00 C ATOM 807 O PHE A 98 6.063 -2.526 -8.065 1.00 0.00 O ATOM 808 CB PHE A 98 5.824 -1.134 -5.079 1.00 0.00 C ATOM 809 CG PHE A 98 5.981 0.062 -4.128 1.00 0.00 C ATOM 810 CD1 PHE A 98 5.511 1.319 -4.516 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.773 -0.045 -2.985 1.00 0.00 C ATOM 812 CE1 PHE A 98 5.885 2.458 -3.830 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.134 1.102 -2.284 1.00 0.00 C ATOM 814 CZ PHE A 98 6.697 2.354 -2.705 1.00 0.00 C ATOM 0 H PHE A 98 6.006 -0.236 -7.845 1.00 0.00 H new ATOM 0 HA PHE A 98 7.902 -1.170 -5.738 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.840 -1.088 -5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.858 -2.055 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.847 1.401 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.105 -1.015 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.548 3.427 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.758 1.019 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.987 3.241 -2.161 1.00 0.00 H new ATOM 815 N ASP A 99 7.353 -3.630 -6.610 1.00 0.00 N ATOM 816 CA ASP A 99 7.320 -4.890 -7.413 1.00 0.00 C ATOM 817 C ASP A 99 7.364 -6.078 -6.435 1.00 0.00 C ATOM 818 O ASP A 99 8.472 -6.360 -5.951 1.00 0.00 O ATOM 819 CB ASP A 99 8.496 -4.980 -8.440 1.00 0.00 C ATOM 820 CG ASP A 99 8.383 -4.130 -9.716 1.00 0.00 C ATOM 821 OD1 ASP A 99 8.508 -2.891 -9.639 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.175 -4.705 -10.806 1.00 0.00 O ATOM 0 H ASP A 99 7.874 -3.701 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 99 6.403 -4.906 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.415 -4.697 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.605 -6.023 -8.738 1.00 0.00 H new ATOM 823 N LEU A 100 6.247 -6.812 -6.132 1.00 0.00 N ATOM 824 CA LEU A 100 6.370 -7.959 -5.192 1.00 0.00 C ATOM 825 C LEU A 100 6.831 -9.234 -5.952 1.00 0.00 C ATOM 826 O LEU A 100 6.029 -9.948 -6.565 1.00 0.00 O ATOM 827 CB LEU A 100 5.105 -8.140 -4.323 1.00 0.00 C ATOM 828 CG LEU A 100 5.332 -8.933 -3.003 1.00 0.00 C ATOM 829 CD1 LEU A 100 4.269 -8.522 -1.988 1.00 0.00 C ATOM 830 CD2 LEU A 100 5.296 -10.461 -3.176 1.00 0.00 C ATOM 0 H LEU A 100 5.311 -6.641 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 100 7.155 -7.743 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.706 -7.156 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.345 -8.653 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 100 6.336 -8.684 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.420 -9.073 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.347 -7.453 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.280 -8.747 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.462 -10.940 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.323 -10.760 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.077 -10.767 -3.872 1.00 0.00 H new ATOM 831 N LYS A 101 8.142 -9.500 -5.844 1.00 0.00 N ATOM 832 CA LYS A 101 8.775 -10.768 -6.273 1.00 0.00 C ATOM 833 C LYS A 101 8.783 -11.803 -5.104 1.00 0.00 C ATOM 834 O LYS A 101 8.579 -11.480 -3.928 1.00 0.00 O ATOM 835 CB LYS A 101 10.216 -10.489 -6.774 1.00 0.00 C ATOM 836 CG LYS A 101 10.334 -9.672 -8.081 1.00 0.00 C ATOM 837 CD LYS A 101 11.795 -9.500 -8.536 1.00 0.00 C ATOM 838 CE LYS A 101 12.368 -10.703 -9.310 1.00 0.00 C ATOM 839 NZ LYS A 101 13.790 -10.502 -9.638 1.00 0.00 N ATOM 0 H LYS A 101 8.807 -8.834 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 101 8.195 -11.195 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.756 -9.960 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.720 -11.445 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.767 -10.168 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.884 -8.690 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.864 -8.613 -9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.417 -9.319 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.255 -11.609 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.799 -10.852 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.146 -11.329 -10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.894 -9.651 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.335 -10.384 -8.760 1.00 0.00 H new ATOM 840 N ILE A 102 8.992 -13.075 -5.478 1.00 0.00 N ATOM 841 CA ILE A 102 8.844 -14.242 -4.561 1.00 0.00 C ATOM 842 C ILE A 102 10.157 -15.066 -4.685 1.00 0.00 C ATOM 843 O ILE A 102 10.636 -15.373 -5.783 1.00 0.00 O ATOM 844 CB ILE A 102 7.519 -15.035 -4.868 1.00 0.00 C ATOM 845 CG1 ILE A 102 6.221 -14.198 -4.654 1.00 0.00 C ATOM 846 CG2 ILE A 102 7.360 -16.374 -4.099 1.00 0.00 C ATOM 847 CD1 ILE A 102 5.851 -13.846 -3.205 1.00 0.00 C ATOM 0 H ILE A 102 9.269 -13.336 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 102 8.724 -13.948 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 102 7.638 -15.263 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.321 -13.268 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.388 -14.746 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.417 -16.844 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.186 -17.039 -4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.365 -16.180 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.930 -13.264 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.706 -14.763 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.654 -13.262 -2.756 1.00 0.00 H new ATOM 848 N GLN A 103 10.731 -15.414 -3.517 1.00 0.00 N ATOM 849 CA GLN A 103 12.121 -15.922 -3.391 1.00 0.00 C ATOM 850 C GLN A 103 12.308 -17.321 -4.046 1.00 0.00 C ATOM 851 O GLN A 103 11.545 -18.253 -3.763 1.00 0.00 O ATOM 852 CB GLN A 103 12.522 -15.947 -1.892 1.00 0.00 C ATOM 853 CG GLN A 103 12.709 -14.555 -1.240 1.00 0.00 C ATOM 854 CD GLN A 103 12.831 -14.605 0.290 1.00 0.00 C ATOM 855 OE1 GLN A 103 11.854 -14.410 1.010 1.00 0.00 O ATOM 856 NE2 GLN A 103 14.019 -14.862 0.819 1.00 0.00 N ATOM 0 H GLN A 103 10.243 -15.352 -2.624 1.00 0.00 H new ATOM 0 HA GLN A 103 12.780 -15.245 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.759 -16.492 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 103 13.451 -16.507 -1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 103 13.603 -14.087 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.864 -13.921 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.823 -15.022 0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.129 -14.899 1.832 1.00 0.00 H new ATOM 857 N GLU A 104 13.348 -17.419 -4.901 1.00 0.00 N ATOM 858 CA GLU A 104 13.469 -18.337 -6.080 1.00 0.00 C ATOM 859 C GLU A 104 12.550 -19.601 -6.179 1.00 0.00 C ATOM 860 O GLU A 104 12.931 -20.754 -5.982 1.00 0.00 O ATOM 861 CB GLU A 104 14.951 -18.757 -6.228 1.00 0.00 C ATOM 862 CG GLU A 104 15.985 -17.633 -6.492 1.00 0.00 C ATOM 863 CD GLU A 104 17.419 -18.158 -6.619 1.00 0.00 C ATOM 864 OE1 GLU A 104 17.756 -18.745 -7.671 1.00 0.00 O ATOM 865 OE2 GLU A 104 18.214 -17.985 -5.672 1.00 0.00 O ATOM 0 H GLU A 104 14.176 -16.833 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 104 13.090 -17.728 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.246 -19.280 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.018 -19.476 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.715 -17.105 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.940 -16.907 -5.680 1.00 0.00 H new ATOM 866 N ARG A 105 11.307 -19.259 -6.527 1.00 0.00 N ATOM 867 CA ARG A 105 10.218 -20.231 -6.796 1.00 0.00 C ATOM 868 C ARG A 105 9.028 -19.440 -7.385 1.00 0.00 C ATOM 869 O ARG A 105 8.707 -19.641 -8.578 1.00 0.00 O ATOM 870 CB ARG A 105 9.793 -21.116 -5.577 1.00 0.00 C ATOM 871 CG ARG A 105 9.999 -22.639 -5.769 1.00 0.00 C ATOM 872 CD ARG A 105 8.933 -23.405 -6.590 1.00 0.00 C ATOM 873 NE ARG A 105 8.822 -23.029 -8.026 1.00 0.00 N ATOM 874 CZ ARG A 105 9.649 -23.451 -9.007 1.00 0.00 C ATOM 875 NH1 ARG A 105 10.682 -24.267 -8.814 1.00 0.00 N ATOM 876 NH2 ARG A 105 9.421 -23.023 -10.235 1.00 0.00 N ATOM 877 OXT ARG A 105 8.406 -18.625 -6.664 1.00 0.00 O ATOM 0 H ARG A 105 11.014 -18.288 -6.634 1.00 0.00 H new ATOM 0 HA ARG A 105 10.595 -20.968 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.357 -20.796 -4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.740 -20.931 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 105 10.966 -22.790 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 105 10.058 -23.098 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.153 -24.471 -6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.962 -23.253 -6.119 1.00 0.00 H new ATOM 0 HE ARG A 105 8.061 -22.403 -8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.890 -24.614 -7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.266 -24.546 -9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.640 -22.393 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 105 10.026 -23.322 -11.000 1.00 0.00 H new