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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.00446 X(o=0.0045,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 40:sc= 0.065 USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= 0.0132 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 160:sc= -0.07 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 X(o=0,f=-0.036) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 161:sc= 0.0669 (180deg=0.02) 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 60 TYR OH : rot 81:sc= -0.343! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0718) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 67 THR OG1 : rot -97:sc= 0.685 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= -0.0393 X(o=-0.039,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= -0.571 USER MOD Single : A 78 GLN : amide:sc= 0.0116 K(o=0.012,f=-0.98) USER MOD Single : A 81 TYR OH : rot -81:sc= 0.946 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 103:sc= 0.417 USER MOD Single : A 88 THR OG1 : rot -109:sc= 0.0693 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0764 K(o=-0.076,f=-1.8!) 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=-0.13) USER MOD ----------------------------------------------------------------- ATOM 34 N ASN A 5 12.527 2.869 -9.732 1.00 0.00 N ATOM 35 CA ASN A 5 12.174 1.453 -9.431 1.00 0.00 C ATOM 36 C ASN A 5 12.481 1.197 -7.934 1.00 0.00 C ATOM 37 O ASN A 5 13.447 0.528 -7.553 1.00 0.00 O ATOM 38 CB ASN A 5 12.748 0.404 -10.419 1.00 0.00 C ATOM 39 CG ASN A 5 14.215 0.526 -10.882 1.00 0.00 C ATOM 40 OD1 ASN A 5 14.497 1.026 -11.972 1.00 0.00 O ATOM 41 ND2 ASN A 5 15.170 0.082 -10.081 1.00 0.00 N ATOM 0 HA ASN A 5 11.107 1.309 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.630 -0.577 -9.960 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.121 0.416 -11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 5 16.147 0.153 -10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 5 14.929 -0.331 -9.180 1.00 0.00 H new ATOM 42 N ALA A 6 11.612 1.792 -7.102 1.00 0.00 N ATOM 43 CA ALA A 6 11.804 1.865 -5.628 1.00 0.00 C ATOM 44 C ALA A 6 10.809 1.074 -4.762 1.00 0.00 C ATOM 45 O ALA A 6 10.206 1.582 -3.811 1.00 0.00 O ATOM 46 CB ALA A 6 11.925 3.342 -5.240 1.00 0.00 C ATOM 0 H ALA A 6 10.753 2.239 -7.423 1.00 0.00 H new ATOM 0 HA ALA A 6 12.727 1.334 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.067 3.425 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.779 3.784 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.016 3.869 -5.528 1.00 0.00 H new ATOM 47 N LEU A 7 10.769 -0.229 -5.057 1.00 0.00 N ATOM 48 CA LEU A 7 10.961 -1.285 -4.038 1.00 0.00 C ATOM 49 C LEU A 7 11.066 -2.618 -4.826 1.00 0.00 C ATOM 50 O LEU A 7 10.104 -3.034 -5.480 1.00 0.00 O ATOM 51 CB LEU A 7 9.844 -1.314 -2.955 1.00 0.00 C ATOM 52 CG LEU A 7 9.923 -2.398 -1.869 1.00 0.00 C ATOM 53 CD1 LEU A 7 11.258 -2.425 -1.098 1.00 0.00 C ATOM 54 CD2 LEU A 7 8.762 -2.302 -0.856 1.00 0.00 C ATOM 0 H LEU A 7 10.605 -0.587 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 7 11.864 -1.095 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.834 -0.344 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.887 -1.421 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 7 9.845 -3.331 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.231 -3.218 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.076 -2.610 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.412 -1.466 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.864 -3.090 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.788 -1.330 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.813 -2.418 -1.379 1.00 0.00 H new ATOM 55 N GLU A 8 12.212 -3.319 -4.709 1.00 0.00 N ATOM 56 CA GLU A 8 12.329 -4.732 -5.167 1.00 0.00 C ATOM 57 C GLU A 8 11.953 -5.637 -3.964 1.00 0.00 C ATOM 58 O GLU A 8 12.648 -5.679 -2.944 1.00 0.00 O ATOM 59 CB GLU A 8 13.737 -5.077 -5.710 1.00 0.00 C ATOM 60 CG GLU A 8 14.247 -4.260 -6.921 1.00 0.00 C ATOM 61 CD GLU A 8 13.384 -4.390 -8.186 1.00 0.00 C ATOM 62 OE1 GLU A 8 13.577 -5.357 -8.953 1.00 0.00 O ATOM 63 OE2 GLU A 8 12.506 -3.525 -8.410 1.00 0.00 O ATOM 0 H GLU A 8 13.068 -2.939 -4.305 1.00 0.00 H new ATOM 0 HA GLU A 8 11.654 -4.895 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.452 -4.957 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.743 -6.131 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.299 -3.209 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.263 -4.577 -7.155 1.00 0.00 H new ATOM 64 N THR A 9 10.791 -6.290 -4.093 1.00 0.00 N ATOM 65 CA THR A 9 9.986 -6.752 -2.926 1.00 0.00 C ATOM 66 C THR A 9 9.908 -8.301 -3.019 1.00 0.00 C ATOM 67 O THR A 9 9.425 -8.840 -4.021 1.00 0.00 O ATOM 68 CB THR A 9 8.567 -6.083 -2.913 1.00 0.00 C ATOM 69 OG1 THR A 9 8.493 -4.865 -3.652 1.00 0.00 O ATOM 70 CG2 THR A 9 8.030 -5.768 -1.518 1.00 0.00 C ATOM 0 H THR A 9 10.374 -6.518 -4.996 1.00 0.00 H new ATOM 0 HA THR A 9 10.453 -6.458 -1.986 1.00 0.00 H new ATOM 0 HB THR A 9 7.957 -6.854 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.582 -4.506 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.045 -5.308 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.952 -6.690 -0.942 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.709 -5.081 -1.013 1.00 0.00 H new ATOM 71 N TRP A 10 10.411 -9.007 -1.990 1.00 0.00 N ATOM 72 CA TRP A 10 10.624 -10.483 -2.052 1.00 0.00 C ATOM 73 C TRP A 10 10.000 -11.170 -0.809 1.00 0.00 C ATOM 74 O TRP A 10 10.140 -10.696 0.324 1.00 0.00 O ATOM 75 CB TRP A 10 12.138 -10.818 -2.177 1.00 0.00 C ATOM 76 CG TRP A 10 12.742 -10.480 -3.549 1.00 0.00 C ATOM 77 CD1 TRP A 10 13.431 -9.296 -3.882 1.00 0.00 C ATOM 78 CD2 TRP A 10 12.694 -11.224 -4.714 1.00 0.00 C ATOM 79 NE1 TRP A 10 13.817 -9.280 -5.235 1.00 0.00 N ATOM 80 CE2 TRP A 10 13.360 -10.492 -5.731 1.00 0.00 C ATOM 81 CE3 TRP A 10 12.122 -12.491 -5.000 1.00 0.00 C ATOM 82 CZ2 TRP A 10 13.476 -11.029 -7.032 1.00 0.00 C ATOM 83 CZ3 TRP A 10 12.250 -13.000 -6.296 1.00 0.00 C ATOM 84 CH2 TRP A 10 12.915 -12.280 -7.296 1.00 0.00 C ATOM 0 H TRP A 10 10.681 -8.588 -1.100 1.00 0.00 H new ATOM 0 HA TRP A 10 10.125 -10.869 -2.941 1.00 0.00 H new ATOM 0 HB2 TRP A 10 12.685 -10.274 -1.407 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.282 -11.880 -1.980 1.00 0.00 H new ATOM 0 HD1 TRP A 10 13.637 -8.498 -3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.318 -8.546 -5.736 1.00 0.00 H new ATOM 0 HE3 TRP A 10 11.601 -13.048 -4.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.989 -10.482 -7.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 11.828 -13.966 -6.530 1.00 0.00 H new ATOM 0 HH2 TRP A 10 12.995 -12.699 -8.288 1.00 0.00 H new ATOM 85 N GLY A 11 9.324 -12.308 -1.045 1.00 0.00 N ATOM 86 CA GLY A 11 8.624 -13.048 0.025 1.00 0.00 C ATOM 87 C GLY A 11 8.266 -14.478 -0.419 1.00 0.00 C ATOM 88 O GLY A 11 7.563 -14.675 -1.416 1.00 0.00 O ATOM 0 H GLY A 11 9.246 -12.737 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.255 -13.089 0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.715 -12.514 0.304 1.00 0.00 H new ATOM 89 N ALA A 12 8.712 -15.468 0.374 1.00 0.00 N ATOM 90 CA ALA A 12 8.371 -16.901 0.164 1.00 0.00 C ATOM 91 C ALA A 12 6.891 -17.219 0.522 1.00 0.00 C ATOM 92 O ALA A 12 6.300 -16.578 1.398 1.00 0.00 O ATOM 93 CB ALA A 12 9.329 -17.753 1.014 1.00 0.00 C ATOM 0 H ALA A 12 9.318 -15.306 1.179 1.00 0.00 H new ATOM 0 HA ALA A 12 8.485 -17.136 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.097 -18.809 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.357 -17.564 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.213 -17.491 2.066 1.00 0.00 H new ATOM 94 N LEU A 13 6.310 -18.213 -0.179 1.00 0.00 N ATOM 95 CA LEU A 13 4.837 -18.438 -0.209 1.00 0.00 C ATOM 96 C LEU A 13 4.096 -18.522 1.154 1.00 0.00 C ATOM 97 O LEU A 13 4.588 -19.028 2.165 1.00 0.00 O ATOM 98 CB LEU A 13 4.445 -19.701 -1.028 1.00 0.00 C ATOM 99 CG LEU A 13 4.756 -19.624 -2.533 1.00 0.00 C ATOM 100 CD1 LEU A 13 4.472 -20.953 -3.239 1.00 0.00 C ATOM 101 CD2 LEU A 13 3.977 -18.585 -3.330 1.00 0.00 C ATOM 0 H LEU A 13 6.838 -18.882 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 13 4.503 -17.517 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.964 -20.563 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.377 -19.880 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 13 5.810 -19.347 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.704 -20.858 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.090 -21.737 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.420 -21.211 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.282 -18.625 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.910 -18.794 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.181 -17.592 -2.930 1.00 0.00 H new ATOM 102 N GLY A 14 2.878 -17.988 1.077 1.00 0.00 N ATOM 103 CA GLY A 14 1.915 -17.929 2.208 1.00 0.00 C ATOM 104 C GLY A 14 2.389 -17.155 3.459 1.00 0.00 C ATOM 105 O GLY A 14 2.590 -17.768 4.510 1.00 0.00 O ATOM 0 H GLY A 14 2.514 -17.574 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.992 -17.473 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.672 -18.949 2.506 1.00 0.00 H new ATOM 106 N GLN A 15 2.626 -15.833 3.328 1.00 0.00 N ATOM 107 CA GLN A 15 3.387 -15.048 4.346 1.00 0.00 C ATOM 108 C GLN A 15 3.068 -13.528 4.206 1.00 0.00 C ATOM 109 O GLN A 15 3.666 -12.850 3.368 1.00 0.00 O ATOM 110 CB GLN A 15 4.915 -15.348 4.201 1.00 0.00 C ATOM 111 CG GLN A 15 5.812 -14.783 5.323 1.00 0.00 C ATOM 112 CD GLN A 15 7.297 -15.119 5.106 1.00 0.00 C ATOM 113 OE1 GLN A 15 7.790 -16.153 5.558 1.00 0.00 O ATOM 114 NE2 GLN A 15 8.038 -14.262 4.417 1.00 0.00 N ATOM 0 H GLN A 15 2.306 -15.280 2.533 1.00 0.00 H new ATOM 0 HA GLN A 15 3.082 -15.347 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.053 -16.428 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.258 -14.945 3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.690 -13.701 5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.487 -15.185 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.620 -13.409 4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.026 -14.456 4.257 1.00 0.00 H new ATOM 115 N ASP A 16 2.144 -12.999 5.039 1.00 0.00 N ATOM 116 CA ASP A 16 1.596 -11.608 4.934 1.00 0.00 C ATOM 117 C ASP A 16 2.649 -10.469 4.734 1.00 0.00 C ATOM 118 O ASP A 16 3.655 -10.426 5.450 1.00 0.00 O ATOM 119 CB ASP A 16 0.743 -11.360 6.212 1.00 0.00 C ATOM 120 CG ASP A 16 -0.029 -10.032 6.319 1.00 0.00 C ATOM 121 OD1 ASP A 16 -0.398 -9.449 5.279 1.00 0.00 O ATOM 122 OD2 ASP A 16 -0.272 -9.571 7.457 1.00 0.00 O ATOM 0 H ASP A 16 1.746 -13.525 5.817 1.00 0.00 H new ATOM 0 HA ASP A 16 1.007 -11.559 4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.022 -12.173 6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.405 -11.432 7.075 1.00 0.00 H new ATOM 123 N ILE A 17 2.400 -9.578 3.749 1.00 0.00 N ATOM 124 CA ILE A 17 3.403 -8.550 3.318 1.00 0.00 C ATOM 125 C ILE A 17 2.711 -7.175 3.027 1.00 0.00 C ATOM 126 O ILE A 17 1.596 -7.129 2.499 1.00 0.00 O ATOM 127 CB ILE A 17 4.287 -9.122 2.146 1.00 0.00 C ATOM 128 CG1 ILE A 17 5.604 -8.321 1.934 1.00 0.00 C ATOM 129 CG2 ILE A 17 3.499 -9.309 0.828 1.00 0.00 C ATOM 130 CD1 ILE A 17 6.688 -9.027 1.100 1.00 0.00 C ATOM 0 H ILE A 17 1.521 -9.541 3.233 1.00 0.00 H new ATOM 0 HA ILE A 17 4.098 -8.334 4.130 1.00 0.00 H new ATOM 0 HB ILE A 17 4.583 -10.120 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.359 -7.375 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.023 -8.081 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.163 -9.706 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.677 -10.006 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.101 -8.348 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.561 -8.380 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.973 -9.959 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.299 -9.243 0.105 1.00 0.00 H new ATOM 131 N ASN A 18 3.389 -6.061 3.368 1.00 0.00 N ATOM 132 CA ASN A 18 2.795 -4.688 3.358 1.00 0.00 C ATOM 133 C ASN A 18 3.376 -3.776 2.227 1.00 0.00 C ATOM 134 O ASN A 18 4.495 -3.986 1.752 1.00 0.00 O ATOM 135 CB ASN A 18 3.028 -4.023 4.753 1.00 0.00 C ATOM 136 CG ASN A 18 2.211 -4.598 5.936 1.00 0.00 C ATOM 137 OD1 ASN A 18 2.325 -5.771 6.290 1.00 0.00 O ATOM 138 ND2 ASN A 18 1.395 -3.784 6.590 1.00 0.00 N ATOM 0 H ASN A 18 4.366 -6.077 3.660 1.00 0.00 H new ATOM 0 HA ASN A 18 1.730 -4.793 3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.087 -4.105 4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.802 -2.960 4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.861 -4.130 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.301 -2.812 6.296 1.00 0.00 H new ATOM 139 N LEU A 19 2.614 -2.715 1.855 1.00 0.00 N ATOM 140 CA LEU A 19 3.116 -1.583 1.008 1.00 0.00 C ATOM 141 C LEU A 19 2.979 -0.267 1.818 1.00 0.00 C ATOM 142 O LEU A 19 1.933 0.010 2.411 1.00 0.00 O ATOM 143 CB LEU A 19 2.451 -1.464 -0.407 1.00 0.00 C ATOM 144 CG LEU A 19 2.807 -2.646 -1.367 1.00 0.00 C ATOM 145 CD1 LEU A 19 2.021 -2.560 -2.683 1.00 0.00 C ATOM 146 CD2 LEU A 19 4.313 -2.787 -1.689 1.00 0.00 C ATOM 0 H LEU A 19 1.637 -2.613 2.129 1.00 0.00 H new ATOM 0 HA LEU A 19 4.161 -1.792 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.369 -1.417 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.762 -0.526 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 19 2.518 -3.537 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.294 -3.397 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.952 -2.598 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.258 -1.623 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.464 -3.632 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.670 -1.875 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.868 -2.953 -0.766 1.00 0.00 H new ATOM 147 N ASP A 20 4.077 0.511 1.878 1.00 0.00 N ATOM 148 CA ASP A 20 4.226 1.660 2.803 1.00 0.00 C ATOM 149 C ASP A 20 5.038 2.771 2.076 1.00 0.00 C ATOM 150 O ASP A 20 5.973 2.520 1.306 1.00 0.00 O ATOM 151 CB ASP A 20 4.970 1.265 4.116 1.00 0.00 C ATOM 152 CG ASP A 20 4.281 0.223 5.013 1.00 0.00 C ATOM 153 OD1 ASP A 20 3.306 0.572 5.712 1.00 0.00 O ATOM 154 OD2 ASP A 20 4.720 -0.947 5.020 1.00 0.00 O ATOM 0 H ASP A 20 4.893 0.362 1.284 1.00 0.00 H new ATOM 0 HA ASP A 20 3.231 2.008 3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.955 0.884 3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.127 2.170 4.704 1.00 0.00 H new ATOM 155 N ILE A 21 4.675 4.018 2.403 1.00 0.00 N ATOM 156 CA ILE A 21 5.399 5.249 1.966 1.00 0.00 C ATOM 157 C ILE A 21 6.053 5.924 3.230 1.00 0.00 C ATOM 158 O ILE A 21 5.396 6.768 3.850 1.00 0.00 O ATOM 159 CB ILE A 21 4.484 6.203 1.111 1.00 0.00 C ATOM 160 CG1 ILE A 21 3.093 6.553 1.733 1.00 0.00 C ATOM 161 CG2 ILE A 21 4.316 5.668 -0.334 1.00 0.00 C ATOM 162 CD1 ILE A 21 2.474 7.872 1.249 1.00 0.00 C ATOM 0 H ILE A 21 3.862 4.218 2.985 1.00 0.00 H new ATOM 0 HA ILE A 21 6.206 4.988 1.281 1.00 0.00 H new ATOM 0 HB ILE A 21 5.026 7.149 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.399 5.742 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.198 6.596 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.679 6.347 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.293 5.601 -0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.857 4.680 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.512 8.024 1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.141 8.699 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.329 7.832 0.169 1.00 0.00 H new ATOM 163 N PRO A 22 7.312 5.607 3.670 1.00 0.00 N ATOM 164 CA PRO A 22 7.858 6.086 4.972 1.00 0.00 C ATOM 165 C PRO A 22 8.506 7.507 4.940 1.00 0.00 C ATOM 166 O PRO A 22 8.835 8.058 3.884 1.00 0.00 O ATOM 167 CB PRO A 22 8.864 4.972 5.321 1.00 0.00 C ATOM 168 CG PRO A 22 9.387 4.483 3.971 1.00 0.00 C ATOM 169 CD PRO A 22 8.161 4.562 3.061 1.00 0.00 C ATOM 0 HA PRO A 22 7.076 6.236 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.673 5.351 5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.385 4.165 5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.199 5.110 3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.774 3.466 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.441 4.823 2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.640 3.606 3.014 1.00 0.00 H new ATOM 170 N SER A 23 8.688 8.069 6.151 1.00 0.00 N ATOM 171 CA SER A 23 9.313 9.407 6.385 1.00 0.00 C ATOM 172 C SER A 23 8.584 10.641 5.754 1.00 0.00 C ATOM 173 O SER A 23 9.222 11.543 5.202 1.00 0.00 O ATOM 174 CB SER A 23 10.847 9.383 6.129 1.00 0.00 C ATOM 175 OG SER A 23 11.499 8.403 6.932 1.00 0.00 O ATOM 0 H SER A 23 8.404 7.607 7.015 1.00 0.00 H new ATOM 0 HA SER A 23 9.162 9.587 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.037 9.176 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.267 10.366 6.342 1.00 0.00 H new ATOM 0 HG SER A 23 12.461 8.414 6.745 1.00 0.00 H new ATOM 176 N PHE A 24 7.241 10.692 5.887 1.00 0.00 N ATOM 177 CA PHE A 24 6.421 11.878 5.525 1.00 0.00 C ATOM 178 C PHE A 24 5.254 11.916 6.551 1.00 0.00 C ATOM 179 O PHE A 24 4.231 11.244 6.366 1.00 0.00 O ATOM 180 CB PHE A 24 5.898 11.840 4.056 1.00 0.00 C ATOM 181 CG PHE A 24 6.944 12.144 2.971 1.00 0.00 C ATOM 182 CD1 PHE A 24 7.252 13.472 2.647 1.00 0.00 C ATOM 183 CD2 PHE A 24 7.604 11.105 2.305 1.00 0.00 C ATOM 184 CE1 PHE A 24 8.215 13.753 1.683 1.00 0.00 C ATOM 185 CE2 PHE A 24 8.572 11.390 1.347 1.00 0.00 C ATOM 186 CZ PHE A 24 8.877 12.713 1.034 1.00 0.00 C ATOM 0 H PHE A 24 6.690 9.913 6.248 1.00 0.00 H new ATOM 0 HA PHE A 24 7.027 12.783 5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.478 10.853 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.083 12.557 3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.740 14.280 3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.361 10.078 2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.450 14.778 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.088 10.585 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.627 12.932 0.288 1.00 0.00 H new ATOM 187 N GLN A 25 5.431 12.704 7.633 1.00 0.00 N ATOM 188 CA GLN A 25 4.414 12.845 8.706 1.00 0.00 C ATOM 189 C GLN A 25 3.781 14.257 8.595 1.00 0.00 C ATOM 190 O GLN A 25 4.394 15.258 8.984 1.00 0.00 O ATOM 191 CB GLN A 25 5.075 12.559 10.086 1.00 0.00 C ATOM 192 CG GLN A 25 4.137 12.555 11.315 1.00 0.00 C ATOM 193 CD GLN A 25 3.027 11.483 11.293 1.00 0.00 C ATOM 194 OE1 GLN A 25 1.928 11.719 10.795 1.00 0.00 O ATOM 195 NE2 GLN A 25 3.290 10.295 11.818 1.00 0.00 N ATOM 0 H GLN A 25 6.274 13.257 7.790 1.00 0.00 H new ATOM 0 HA GLN A 25 3.608 12.119 8.600 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.570 11.589 10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.852 13.305 10.253 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.740 12.412 12.211 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.670 13.536 11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.205 10.110 12.229 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.577 9.565 11.812 1.00 0.00 H new ATOM 196 N MET A 26 2.554 14.312 8.050 1.00 0.00 N ATOM 197 CA MET A 26 1.792 15.576 7.876 1.00 0.00 C ATOM 198 C MET A 26 0.275 15.254 8.012 1.00 0.00 C ATOM 199 O MET A 26 -0.240 14.313 7.399 1.00 0.00 O ATOM 200 CB MET A 26 2.146 16.236 6.513 1.00 0.00 C ATOM 201 CG MET A 26 1.594 17.656 6.300 1.00 0.00 C ATOM 202 SD MET A 26 2.218 18.296 4.733 1.00 0.00 S ATOM 203 CE MET A 26 1.693 20.019 4.823 1.00 0.00 C ATOM 0 H MET A 26 2.057 13.487 7.716 1.00 0.00 H new ATOM 0 HA MET A 26 2.060 16.300 8.645 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.231 16.269 6.416 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.774 15.597 5.712 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.504 17.640 6.293 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.898 18.306 7.121 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.009 20.543 3.921 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.607 20.065 4.908 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.145 20.492 5.695 1.00 0.00 H new ATOM 204 N SER A 27 -0.423 16.082 8.809 1.00 0.00 N ATOM 205 CA SER A 27 -1.905 16.050 8.921 1.00 0.00 C ATOM 206 C SER A 27 -2.415 17.491 8.680 1.00 0.00 C ATOM 207 O SER A 27 -2.373 18.360 9.558 1.00 0.00 O ATOM 208 CB SER A 27 -2.388 15.437 10.251 1.00 0.00 C ATOM 209 OG SER A 27 -1.789 16.046 11.392 1.00 0.00 O ATOM 0 H SER A 27 0.016 16.792 9.395 1.00 0.00 H new ATOM 0 HA SER A 27 -2.328 15.387 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.471 15.537 10.319 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.165 14.370 10.256 1.00 0.00 H new ATOM 0 HG SER A 27 -1.724 17.013 11.250 1.00 0.00 H new ATOM 210 N ASP A 28 -2.856 17.706 7.436 1.00 0.00 N ATOM 211 CA ASP A 28 -3.301 19.030 6.927 1.00 0.00 C ATOM 212 C ASP A 28 -4.412 18.785 5.862 1.00 0.00 C ATOM 213 O ASP A 28 -5.585 19.033 6.160 1.00 0.00 O ATOM 214 CB ASP A 28 -2.081 19.877 6.455 1.00 0.00 C ATOM 215 CG ASP A 28 -2.418 21.318 6.054 1.00 0.00 C ATOM 216 OD1 ASP A 28 -2.685 22.149 6.947 1.00 0.00 O ATOM 217 OD2 ASP A 28 -2.418 21.624 4.839 1.00 0.00 O ATOM 0 H ASP A 28 -2.919 16.965 6.738 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.750 19.643 7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.341 19.901 7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.616 19.377 5.605 1.00 0.00 H new ATOM 218 N ASP A 29 -4.054 18.295 4.654 1.00 0.00 N ATOM 219 CA ASP A 29 -5.041 17.875 3.617 1.00 0.00 C ATOM 220 C ASP A 29 -4.927 16.325 3.489 1.00 0.00 C ATOM 221 O ASP A 29 -5.239 15.630 4.462 1.00 0.00 O ATOM 222 CB ASP A 29 -4.861 18.733 2.327 1.00 0.00 C ATOM 223 CG ASP A 29 -5.280 20.205 2.459 1.00 0.00 C ATOM 224 OD1 ASP A 29 -6.499 20.484 2.521 1.00 0.00 O ATOM 225 OD2 ASP A 29 -4.394 21.086 2.507 1.00 0.00 O ATOM 0 H ASP A 29 -3.083 18.178 4.366 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.080 18.073 3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.814 18.695 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.439 18.278 1.523 1.00 0.00 H new ATOM 226 N ILE A 30 -4.497 15.773 2.329 1.00 0.00 N ATOM 227 CA ILE A 30 -4.148 14.328 2.149 1.00 0.00 C ATOM 228 C ILE A 30 -5.431 13.434 2.228 1.00 0.00 C ATOM 229 O ILE A 30 -5.857 13.061 3.327 1.00 0.00 O ATOM 230 CB ILE A 30 -2.933 13.833 3.025 1.00 0.00 C ATOM 231 CG1 ILE A 30 -1.650 14.708 2.861 1.00 0.00 C ATOM 232 CG2 ILE A 30 -2.572 12.347 2.753 1.00 0.00 C ATOM 233 CD1 ILE A 30 -0.642 14.617 4.016 1.00 0.00 C ATOM 0 H ILE A 30 -4.379 16.319 1.476 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.755 14.216 1.138 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.282 13.935 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.148 14.418 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.952 15.749 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.730 12.056 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.431 11.716 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.302 12.224 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.212 15.261 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.119 14.939 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.302 13.587 4.122 1.00 0.00 H new ATOM 234 N ASP A 31 -6.014 13.092 1.064 1.00 0.00 N ATOM 235 CA ASP A 31 -7.270 12.287 0.977 1.00 0.00 C ATOM 236 C ASP A 31 -7.073 10.902 0.281 1.00 0.00 C ATOM 237 O ASP A 31 -7.546 9.889 0.804 1.00 0.00 O ATOM 238 CB ASP A 31 -8.384 13.155 0.305 1.00 0.00 C ATOM 239 CG ASP A 31 -9.765 13.119 0.968 1.00 0.00 C ATOM 240 OD1 ASP A 31 -9.849 13.309 2.201 1.00 0.00 O ATOM 241 OD2 ASP A 31 -10.780 12.938 0.259 1.00 0.00 O ATOM 0 H ASP A 31 -5.638 13.360 0.154 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.585 12.030 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.043 14.190 0.281 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.493 12.831 -0.730 1.00 0.00 H new ATOM 242 N ASP A 32 -6.420 10.865 -0.900 1.00 0.00 N ATOM 243 CA ASP A 32 -6.388 9.684 -1.803 1.00 0.00 C ATOM 244 C ASP A 32 -5.009 8.966 -1.751 1.00 0.00 C ATOM 245 O ASP A 32 -3.957 9.608 -1.857 1.00 0.00 O ATOM 246 CB ASP A 32 -6.725 10.226 -3.226 1.00 0.00 C ATOM 247 CG ASP A 32 -6.929 9.203 -4.349 1.00 0.00 C ATOM 248 OD1 ASP A 32 -5.956 8.531 -4.751 1.00 0.00 O ATOM 249 OD2 ASP A 32 -8.072 9.077 -4.851 1.00 0.00 O ATOM 0 H ASP A 32 -5.893 11.660 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.111 8.926 -1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.632 10.826 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.922 10.899 -3.527 1.00 0.00 H new ATOM 250 N ILE A 33 -5.055 7.622 -1.615 1.00 0.00 N ATOM 251 CA ILE A 33 -3.832 6.768 -1.519 1.00 0.00 C ATOM 252 C ILE A 33 -4.090 5.555 -2.464 1.00 0.00 C ATOM 253 O ILE A 33 -4.841 4.637 -2.121 1.00 0.00 O ATOM 254 CB ILE A 33 -3.458 6.314 -0.057 1.00 0.00 C ATOM 255 CG1 ILE A 33 -3.414 7.456 1.010 1.00 0.00 C ATOM 256 CG2 ILE A 33 -2.102 5.560 -0.054 1.00 0.00 C ATOM 257 CD1 ILE A 33 -4.742 7.690 1.752 1.00 0.00 C ATOM 0 H ILE A 33 -5.927 7.095 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.959 7.347 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.276 5.659 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.640 7.222 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.119 8.383 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.858 5.253 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.174 4.679 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.319 6.218 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.619 8.499 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.517 7.958 1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.031 6.779 2.276 1.00 0.00 H new ATOM 258 N LYS A 34 -3.457 5.566 -3.646 1.00 0.00 N ATOM 259 CA LYS A 34 -3.828 4.671 -4.772 1.00 0.00 C ATOM 260 C LYS A 34 -2.706 3.667 -5.089 1.00 0.00 C ATOM 261 O LYS A 34 -1.535 4.038 -5.175 1.00 0.00 O ATOM 262 CB LYS A 34 -4.144 5.610 -5.979 1.00 0.00 C ATOM 263 CG LYS A 34 -4.588 4.984 -7.319 1.00 0.00 C ATOM 264 CD LYS A 34 -4.853 5.996 -8.457 1.00 0.00 C ATOM 265 CE LYS A 34 -6.065 6.922 -8.249 1.00 0.00 C ATOM 266 NZ LYS A 34 -6.293 7.782 -9.429 1.00 0.00 N ATOM 0 H LYS A 34 -2.677 6.189 -3.856 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.694 4.056 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.926 6.300 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.253 6.206 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.820 4.284 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.496 4.405 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.964 6.613 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.995 5.443 -9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.955 6.322 -8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.903 7.544 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.116 8.394 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.452 8.371 -9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.471 7.187 -10.263 1.00 0.00 H new ATOM 267 N TRP A 35 -3.102 2.396 -5.293 1.00 0.00 N ATOM 268 CA TRP A 35 -2.161 1.303 -5.639 1.00 0.00 C ATOM 269 C TRP A 35 -2.727 0.559 -6.894 1.00 0.00 C ATOM 270 O TRP A 35 -3.892 0.141 -6.969 1.00 0.00 O ATOM 271 CB TRP A 35 -1.892 0.419 -4.394 1.00 0.00 C ATOM 272 CG TRP A 35 -0.885 1.060 -3.394 1.00 0.00 C ATOM 273 CD1 TRP A 35 -1.142 1.745 -2.204 1.00 0.00 C ATOM 274 CD2 TRP A 35 0.475 1.038 -3.450 1.00 0.00 C ATOM 275 NE1 TRP A 35 0.001 2.124 -1.495 1.00 0.00 N ATOM 276 CE2 TRP A 35 1.008 1.683 -2.302 1.00 0.00 C ATOM 277 CE3 TRP A 35 1.311 0.419 -4.366 1.00 0.00 C ATOM 278 CZ2 TRP A 35 2.400 1.721 -2.092 1.00 0.00 C ATOM 279 CZ3 TRP A 35 2.685 0.468 -4.166 1.00 0.00 C ATOM 280 CH2 TRP A 35 3.223 1.103 -3.028 1.00 0.00 C ATOM 0 H TRP A 35 -4.074 2.095 -5.224 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.175 1.673 -5.920 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -2.834 0.230 -3.880 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.507 -0.547 -4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.142 1.964 -1.860 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.066 2.608 -0.600 1.00 0.00 H new ATOM 0 HE3 TRP A 35 0.900 -0.094 -5.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.817 2.216 -1.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.347 0.015 -4.889 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.293 1.110 -2.880 1.00 0.00 H new ATOM 281 N GLU A 36 -1.850 0.495 -7.909 1.00 0.00 N ATOM 282 CA GLU A 36 -2.215 0.578 -9.351 1.00 0.00 C ATOM 283 C GLU A 36 -1.143 -0.210 -10.157 1.00 0.00 C ATOM 284 O GLU A 36 0.065 -0.001 -10.008 1.00 0.00 O ATOM 285 CB GLU A 36 -2.389 2.073 -9.773 1.00 0.00 C ATOM 286 CG GLU A 36 -1.209 3.052 -9.555 1.00 0.00 C ATOM 287 CD GLU A 36 -1.412 4.427 -10.191 1.00 0.00 C ATOM 288 OE1 GLU A 36 -1.140 4.580 -11.402 1.00 0.00 O ATOM 289 OE2 GLU A 36 -1.833 5.364 -9.481 1.00 0.00 O ATOM 0 H GLU A 36 -0.848 0.382 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.179 0.116 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.640 2.089 -10.834 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.250 2.470 -9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.050 3.179 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.301 2.606 -9.962 1.00 0.00 H new ATOM 290 N LYS A 37 -1.617 -1.137 -11.010 1.00 0.00 N ATOM 291 CA LYS A 37 -0.773 -2.102 -11.762 1.00 0.00 C ATOM 292 C LYS A 37 0.173 -1.448 -12.813 1.00 0.00 C ATOM 293 O LYS A 37 -0.233 -0.520 -13.522 1.00 0.00 O ATOM 294 CB LYS A 37 -1.743 -3.094 -12.475 1.00 0.00 C ATOM 295 CG LYS A 37 -1.151 -4.501 -12.705 1.00 0.00 C ATOM 296 CD LYS A 37 -2.127 -5.553 -13.268 1.00 0.00 C ATOM 297 CE LYS A 37 -3.231 -6.011 -12.300 1.00 0.00 C ATOM 298 NZ LYS A 37 -4.103 -7.038 -12.899 1.00 0.00 N ATOM 0 H LYS A 37 -2.613 -1.243 -11.204 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.110 -2.595 -11.050 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.652 -3.187 -11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.034 -2.672 -13.437 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.307 -4.413 -13.389 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.757 -4.868 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.598 -5.146 -14.163 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.554 -6.427 -13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.775 -6.407 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.833 -5.152 -12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.074 -6.918 -12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.097 -6.938 -13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.755 -7.983 -12.640 1.00 0.00 H new ATOM 299 N THR A 38 1.403 -1.979 -12.950 1.00 0.00 N ATOM 300 CA THR A 38 2.279 -1.665 -14.125 1.00 0.00 C ATOM 301 C THR A 38 2.095 -2.678 -15.306 1.00 0.00 C ATOM 302 O THR A 38 2.063 -2.248 -16.462 1.00 0.00 O ATOM 303 CB THR A 38 3.780 -1.497 -13.763 1.00 0.00 C ATOM 304 OG1 THR A 38 4.341 -2.732 -13.340 1.00 0.00 O ATOM 305 CG2 THR A 38 4.082 -0.438 -12.687 1.00 0.00 C ATOM 0 H THR A 38 1.821 -2.622 -12.277 1.00 0.00 H new ATOM 0 HA THR A 38 1.934 -0.690 -14.468 1.00 0.00 H new ATOM 0 HB THR A 38 4.235 -1.146 -14.689 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.317 -2.694 -13.425 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.156 -0.398 -12.507 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.735 0.537 -13.029 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.569 -0.702 -11.762 1.00 0.00 H new ATOM 306 N SER A 39 1.993 -3.995 -15.020 1.00 0.00 N ATOM 307 CA SER A 39 1.856 -5.062 -16.044 1.00 0.00 C ATOM 308 C SER A 39 0.596 -4.965 -16.959 1.00 0.00 C ATOM 309 O SER A 39 0.758 -5.027 -18.182 1.00 0.00 O ATOM 310 CB SER A 39 1.957 -6.431 -15.330 1.00 0.00 C ATOM 311 OG SER A 39 2.060 -7.490 -16.273 1.00 0.00 O ATOM 0 H SER A 39 2.003 -4.353 -14.065 1.00 0.00 H new ATOM 0 HA SER A 39 2.673 -4.931 -16.753 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.826 -6.439 -14.672 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.080 -6.583 -14.701 1.00 0.00 H new ATOM 0 HG SER A 39 2.124 -8.345 -15.799 1.00 0.00 H new ATOM 312 N ASP A 40 -0.623 -4.819 -16.397 1.00 0.00 N ATOM 313 CA ASP A 40 -1.864 -4.631 -17.204 1.00 0.00 C ATOM 314 C ASP A 40 -2.842 -3.592 -16.569 1.00 0.00 C ATOM 315 O ASP A 40 -3.999 -3.905 -16.262 1.00 0.00 O ATOM 316 CB ASP A 40 -2.488 -5.996 -17.629 1.00 0.00 C ATOM 317 CG ASP A 40 -3.061 -6.906 -16.530 1.00 0.00 C ATOM 318 OD1 ASP A 40 -2.290 -7.686 -15.928 1.00 0.00 O ATOM 319 OD2 ASP A 40 -4.283 -6.845 -16.267 1.00 0.00 O ATOM 0 H ASP A 40 -0.782 -4.827 -15.389 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.592 -4.161 -18.149 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.287 -5.790 -18.341 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.723 -6.560 -18.163 1.00 0.00 H new ATOM 320 N LYS A 41 -2.410 -2.311 -16.491 1.00 0.00 N ATOM 321 CA LYS A 41 -3.297 -1.119 -16.496 1.00 0.00 C ATOM 322 C LYS A 41 -3.794 -0.714 -15.073 1.00 0.00 C ATOM 323 O LYS A 41 -4.822 -1.202 -14.597 1.00 0.00 O ATOM 324 CB LYS A 41 -4.380 -1.114 -17.621 1.00 0.00 C ATOM 325 CG LYS A 41 -5.048 0.257 -17.889 1.00 0.00 C ATOM 326 CD LYS A 41 -5.718 0.400 -19.272 1.00 0.00 C ATOM 327 CE LYS A 41 -4.721 0.689 -20.410 1.00 0.00 C ATOM 328 NZ LYS A 41 -5.396 0.827 -21.714 1.00 0.00 N ATOM 0 H LYS A 41 -1.421 -2.071 -16.422 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.658 -0.288 -16.796 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.921 -1.463 -18.546 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.156 -1.833 -17.359 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.799 0.435 -17.119 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.294 1.037 -17.785 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.262 -0.517 -19.500 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.452 1.204 -19.230 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.172 1.604 -20.187 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.989 -0.117 -20.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.689 1.021 -22.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.899 -0.055 -21.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.076 1.613 -21.671 1.00 0.00 H new ATOM 329 N LYS A 42 -3.056 0.261 -14.508 1.00 0.00 N ATOM 330 CA LYS A 42 -3.377 1.089 -13.317 1.00 0.00 C ATOM 331 C LYS A 42 -4.836 1.241 -12.776 1.00 0.00 C ATOM 332 O LYS A 42 -5.499 2.265 -12.940 1.00 0.00 O ATOM 333 CB LYS A 42 -2.690 2.492 -13.532 1.00 0.00 C ATOM 334 CG LYS A 42 -2.735 3.217 -14.912 1.00 0.00 C ATOM 335 CD LYS A 42 -4.120 3.552 -15.507 1.00 0.00 C ATOM 336 CE LYS A 42 -4.797 4.789 -14.884 1.00 0.00 C ATOM 337 NZ LYS A 42 -6.152 4.990 -15.426 1.00 0.00 N ATOM 0 H LYS A 42 -2.148 0.514 -14.899 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.986 0.492 -12.494 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.126 3.174 -12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.639 2.374 -13.270 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.177 4.149 -14.819 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.202 2.597 -15.633 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.012 3.713 -16.580 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.775 2.691 -15.379 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.850 4.670 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.191 5.674 -15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.580 5.830 -14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.097 5.127 -16.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.736 4.155 -15.219 1.00 0.00 H new ATOM 338 N LYS A 43 -5.285 0.190 -12.053 1.00 0.00 N ATOM 339 CA LYS A 43 -6.510 0.202 -11.214 1.00 0.00 C ATOM 340 C LYS A 43 -6.626 -1.214 -10.597 1.00 0.00 C ATOM 341 O LYS A 43 -7.006 -2.172 -11.286 1.00 0.00 O ATOM 342 CB LYS A 43 -7.838 0.688 -11.884 1.00 0.00 C ATOM 343 CG LYS A 43 -8.224 0.063 -13.250 1.00 0.00 C ATOM 344 CD LYS A 43 -9.305 0.846 -14.026 1.00 0.00 C ATOM 345 CE LYS A 43 -10.726 0.826 -13.436 1.00 0.00 C ATOM 346 NZ LYS A 43 -11.381 -0.491 -13.549 1.00 0.00 N ATOM 0 H LYS A 43 -4.799 -0.707 -12.034 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.385 0.978 -10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.654 0.501 -11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.772 1.768 -12.015 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.330 -0.009 -13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.579 -0.954 -13.083 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.983 1.884 -14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.351 0.449 -15.040 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.681 1.114 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.335 1.573 -13.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.334 -0.442 -13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.453 -0.758 -14.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.819 -1.203 -13.040 1.00 0.00 H new ATOM 347 N ILE A 44 -6.286 -1.334 -9.304 1.00 0.00 N ATOM 348 CA ILE A 44 -6.469 -2.588 -8.516 1.00 0.00 C ATOM 349 C ILE A 44 -7.337 -2.200 -7.284 1.00 0.00 C ATOM 350 O ILE A 44 -8.484 -2.643 -7.200 1.00 0.00 O ATOM 351 CB ILE A 44 -5.134 -3.354 -8.181 1.00 0.00 C ATOM 352 CG1 ILE A 44 -4.276 -3.676 -9.440 1.00 0.00 C ATOM 353 CG2 ILE A 44 -5.425 -4.666 -7.402 1.00 0.00 C ATOM 354 CD1 ILE A 44 -2.856 -4.184 -9.155 1.00 0.00 C ATOM 0 H ILE A 44 -5.876 -0.571 -8.765 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.984 -3.342 -9.111 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.553 -2.675 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.800 -4.425 -10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.206 -2.776 -10.051 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.486 -5.175 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.935 -4.429 -6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.058 -5.316 -8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.343 -4.378 -10.097 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.306 -3.430 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.909 -5.105 -8.574 1.00 0.00 H new ATOM 355 N ALA A 45 -6.792 -1.407 -6.332 1.00 0.00 N ATOM 356 CA ALA A 45 -7.532 -1.004 -5.108 1.00 0.00 C ATOM 357 C ALA A 45 -6.954 0.360 -4.642 1.00 0.00 C ATOM 358 O ALA A 45 -5.737 0.590 -4.588 1.00 0.00 O ATOM 359 CB ALA A 45 -7.476 -2.096 -4.029 1.00 0.00 C ATOM 0 H ALA A 45 -5.845 -1.033 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.595 -0.882 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.028 -1.766 -3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.923 -3.012 -4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.438 -2.285 -3.757 1.00 0.00 H new ATOM 360 N GLN A 46 -7.883 1.293 -4.380 1.00 0.00 N ATOM 361 CA GLN A 46 -7.564 2.742 -4.321 1.00 0.00 C ATOM 362 C GLN A 46 -8.515 3.468 -3.341 1.00 0.00 C ATOM 363 O GLN A 46 -9.737 3.305 -3.368 1.00 0.00 O ATOM 364 CB GLN A 46 -7.572 3.379 -5.738 1.00 0.00 C ATOM 365 CG GLN A 46 -8.871 3.293 -6.571 1.00 0.00 C ATOM 366 CD GLN A 46 -8.778 3.924 -7.969 1.00 0.00 C ATOM 367 OE1 GLN A 46 -9.269 5.028 -8.202 1.00 0.00 O ATOM 368 NE2 GLN A 46 -8.178 3.236 -8.929 1.00 0.00 N ATOM 0 H GLN A 46 -8.864 1.077 -4.204 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.551 2.859 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.315 4.433 -5.631 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.774 2.913 -6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.150 2.245 -6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.674 3.782 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.774 2.322 -8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.120 3.621 -9.872 1.00 0.00 H new ATOM 369 N PHE A 47 -7.902 4.294 -2.488 1.00 0.00 N ATOM 370 CA PHE A 47 -8.597 5.041 -1.414 1.00 0.00 C ATOM 371 C PHE A 47 -8.910 6.482 -1.841 1.00 0.00 C ATOM 372 O PHE A 47 -8.154 7.071 -2.618 1.00 0.00 O ATOM 373 CB PHE A 47 -7.678 5.033 -0.150 1.00 0.00 C ATOM 374 CG PHE A 47 -8.067 3.958 0.869 1.00 0.00 C ATOM 375 CD1 PHE A 47 -8.250 2.624 0.484 1.00 0.00 C ATOM 376 CD2 PHE A 47 -8.359 4.348 2.175 1.00 0.00 C ATOM 377 CE1 PHE A 47 -8.793 1.714 1.384 1.00 0.00 C ATOM 378 CE2 PHE A 47 -8.888 3.428 3.080 1.00 0.00 C ATOM 379 CZ PHE A 47 -9.123 2.118 2.676 1.00 0.00 C ATOM 0 H PHE A 47 -6.898 4.471 -2.517 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.551 4.561 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.645 4.874 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.720 6.011 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.970 2.303 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.175 5.365 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.960 0.691 1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.114 3.732 4.091 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.562 1.412 3.365 1.00 0.00 H new ATOM 380 N ARG A 48 -9.989 7.051 -1.264 1.00 0.00 N ATOM 381 CA ARG A 48 -10.289 8.491 -1.439 1.00 0.00 C ATOM 382 C ARG A 48 -10.930 9.166 -0.198 1.00 0.00 C ATOM 383 O ARG A 48 -10.368 10.163 0.253 1.00 0.00 O ATOM 384 CB ARG A 48 -11.051 8.752 -2.766 1.00 0.00 C ATOM 385 CG ARG A 48 -11.129 10.229 -3.202 1.00 0.00 C ATOM 386 CD ARG A 48 -11.879 10.399 -4.532 1.00 0.00 C ATOM 387 NE ARG A 48 -11.958 11.825 -4.919 1.00 0.00 N ATOM 388 CZ ARG A 48 -12.468 12.268 -6.085 1.00 0.00 C ATOM 389 NH1 ARG A 48 -12.964 11.472 -7.031 1.00 0.00 N ATOM 390 NH2 ARG A 48 -12.471 13.571 -6.304 1.00 0.00 N ATOM 0 H ARG A 48 -10.658 6.547 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.327 8.997 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.570 8.181 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.065 8.366 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.630 10.810 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -10.121 10.631 -3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.372 9.834 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.884 9.987 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.603 12.518 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.972 10.461 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.335 11.873 -7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.095 14.207 -5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.849 13.941 -7.176 1.00 0.00 H new ATOM 391 N LYS A 49 -12.096 8.705 0.318 1.00 0.00 N ATOM 392 CA LYS A 49 -12.903 9.426 1.359 1.00 0.00 C ATOM 393 C LYS A 49 -13.819 10.510 0.707 1.00 0.00 C ATOM 394 O LYS A 49 -13.451 11.146 -0.288 1.00 0.00 O ATOM 395 CB LYS A 49 -12.088 9.928 2.598 1.00 0.00 C ATOM 396 CG LYS A 49 -12.828 10.030 3.956 1.00 0.00 C ATOM 397 CD LYS A 49 -13.384 11.414 4.367 1.00 0.00 C ATOM 398 CE LYS A 49 -12.373 12.575 4.504 1.00 0.00 C ATOM 399 NZ LYS A 49 -11.304 12.340 5.490 1.00 0.00 N ATOM 0 H LYS A 49 -12.513 7.820 0.029 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.561 8.680 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.235 9.262 2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.689 10.914 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.660 9.326 3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.144 9.697 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.135 11.706 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.898 11.301 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.918 12.761 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.913 13.480 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.671 13.165 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.725 12.193 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.760 11.496 5.218 1.00 0.00 H new ATOM 400 N GLU A 50 -15.038 10.672 1.263 1.00 0.00 N ATOM 401 CA GLU A 50 -16.205 11.336 0.599 1.00 0.00 C ATOM 402 C GLU A 50 -16.811 10.369 -0.464 1.00 0.00 C ATOM 403 O GLU A 50 -16.556 10.516 -1.663 1.00 0.00 O ATOM 404 CB GLU A 50 -16.020 12.795 0.070 1.00 0.00 C ATOM 405 CG GLU A 50 -15.933 13.927 1.121 1.00 0.00 C ATOM 406 CD GLU A 50 -14.629 14.051 1.916 1.00 0.00 C ATOM 407 OE1 GLU A 50 -13.530 13.824 1.360 1.00 0.00 O ATOM 408 OE2 GLU A 50 -14.702 14.402 3.112 1.00 0.00 O ATOM 0 H GLU A 50 -15.254 10.342 2.204 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.916 11.517 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.111 12.823 -0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.851 13.019 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.108 14.874 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.749 13.791 1.831 1.00 0.00 H new ATOM 409 N LYS A 51 -17.568 9.360 0.028 1.00 0.00 N ATOM 410 CA LYS A 51 -18.011 8.139 -0.713 1.00 0.00 C ATOM 411 C LYS A 51 -17.380 7.776 -2.087 1.00 0.00 C ATOM 412 O LYS A 51 -17.906 8.057 -3.168 1.00 0.00 O ATOM 413 CB LYS A 51 -19.533 7.910 -0.673 1.00 0.00 C ATOM 414 CG LYS A 51 -20.442 9.055 -1.175 1.00 0.00 C ATOM 415 CD LYS A 51 -21.948 8.779 -0.985 1.00 0.00 C ATOM 416 CE LYS A 51 -22.816 9.966 -1.447 1.00 0.00 C ATOM 417 NZ LYS A 51 -24.246 9.748 -1.177 1.00 0.00 N ATOM 0 H LYS A 51 -17.904 9.368 0.991 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.518 7.392 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.755 7.021 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.812 7.686 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.180 9.973 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.244 9.227 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.226 7.887 -1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.149 8.571 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.487 10.873 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.670 10.126 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.791 10.571 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.569 8.897 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.391 9.621 -0.155 1.00 0.00 H new ATOM 418 N GLU A 52 -16.222 7.137 -1.935 1.00 0.00 N ATOM 419 CA GLU A 52 -15.441 6.527 -3.043 1.00 0.00 C ATOM 420 C GLU A 52 -14.269 5.767 -2.361 1.00 0.00 C ATOM 421 O GLU A 52 -13.277 6.383 -1.954 1.00 0.00 O ATOM 422 CB GLU A 52 -14.931 7.557 -4.106 1.00 0.00 C ATOM 423 CG GLU A 52 -14.545 6.964 -5.480 1.00 0.00 C ATOM 424 CD GLU A 52 -15.751 6.704 -6.394 1.00 0.00 C ATOM 425 OE1 GLU A 52 -16.485 5.718 -6.168 1.00 0.00 O ATOM 426 OE2 GLU A 52 -15.966 7.489 -7.345 1.00 0.00 O ATOM 0 H GLU A 52 -15.779 7.019 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 52 -16.079 5.861 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.706 8.308 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.063 8.074 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.859 7.646 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.008 6.028 -5.325 1.00 0.00 H new ATOM 427 N THR A 53 -14.393 4.435 -2.204 1.00 0.00 N ATOM 428 CA THR A 53 -13.331 3.589 -1.591 1.00 0.00 C ATOM 429 C THR A 53 -13.442 2.212 -2.298 1.00 0.00 C ATOM 430 O THR A 53 -14.389 1.454 -2.060 1.00 0.00 O ATOM 431 CB THR A 53 -13.457 3.489 -0.036 1.00 0.00 C ATOM 432 OG1 THR A 53 -13.439 4.786 0.550 1.00 0.00 O ATOM 433 CG2 THR A 53 -12.327 2.684 0.634 1.00 0.00 C ATOM 0 H THR A 53 -15.220 3.912 -2.493 1.00 0.00 H new ATOM 0 HA THR A 53 -12.343 4.027 -1.737 1.00 0.00 H new ATOM 0 HB THR A 53 -14.401 2.972 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.520 4.706 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.486 2.661 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.326 1.666 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.368 3.155 0.419 1.00 0.00 H new ATOM 434 N PHE A 54 -12.462 1.905 -3.170 1.00 0.00 N ATOM 435 CA PHE A 54 -12.470 0.662 -3.986 1.00 0.00 C ATOM 436 C PHE A 54 -11.599 -0.415 -3.281 1.00 0.00 C ATOM 437 O PHE A 54 -10.367 -0.401 -3.358 1.00 0.00 O ATOM 438 CB PHE A 54 -12.002 0.953 -5.443 1.00 0.00 C ATOM 439 CG PHE A 54 -12.868 1.851 -6.368 1.00 0.00 C ATOM 440 CD1 PHE A 54 -14.228 2.116 -6.142 1.00 0.00 C ATOM 441 CD2 PHE A 54 -12.264 2.377 -7.517 1.00 0.00 C ATOM 442 CE1 PHE A 54 -14.956 2.897 -7.034 1.00 0.00 C ATOM 443 CE2 PHE A 54 -12.989 3.171 -8.401 1.00 0.00 C ATOM 444 CZ PHE A 54 -14.335 3.428 -8.159 1.00 0.00 C ATOM 0 H PHE A 54 -11.649 2.500 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.486 0.275 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.013 1.407 -5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.881 -0.008 -5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.714 1.710 -5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.225 2.164 -7.719 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.003 3.091 -6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.507 3.587 -9.274 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.899 4.041 -8.847 1.00 0.00 H new ATOM 445 N LYS A 55 -12.286 -1.340 -2.589 1.00 0.00 N ATOM 446 CA LYS A 55 -11.668 -2.529 -1.945 1.00 0.00 C ATOM 447 C LYS A 55 -12.757 -3.638 -1.800 1.00 0.00 C ATOM 448 O LYS A 55 -13.936 -3.340 -1.556 1.00 0.00 O ATOM 449 CB LYS A 55 -10.986 -2.201 -0.579 1.00 0.00 C ATOM 450 CG LYS A 55 -11.916 -1.803 0.598 1.00 0.00 C ATOM 451 CD LYS A 55 -11.219 -1.385 1.908 1.00 0.00 C ATOM 452 CE LYS A 55 -10.336 -2.466 2.563 1.00 0.00 C ATOM 453 NZ LYS A 55 -9.741 -1.988 3.823 1.00 0.00 N ATOM 0 H LYS A 55 -13.296 -1.290 -2.455 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.860 -2.887 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.406 -3.072 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.278 -1.388 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.550 -0.979 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.574 -2.645 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.602 -0.509 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.982 -1.081 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.934 -3.357 2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.544 -2.757 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.431 -2.802 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.923 -1.381 3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.448 -1.443 4.356 1.00 0.00 H new ATOM 454 N GLU A 56 -12.351 -4.916 -1.895 1.00 0.00 N ATOM 455 CA GLU A 56 -13.273 -6.076 -1.733 1.00 0.00 C ATOM 456 C GLU A 56 -12.760 -7.049 -0.626 1.00 0.00 C ATOM 457 O GLU A 56 -13.385 -7.153 0.430 1.00 0.00 O ATOM 458 CB GLU A 56 -13.539 -6.732 -3.125 1.00 0.00 C ATOM 459 CG GLU A 56 -14.638 -7.816 -3.175 1.00 0.00 C ATOM 460 CD GLU A 56 -16.054 -7.297 -2.894 1.00 0.00 C ATOM 461 OE1 GLU A 56 -16.615 -6.575 -3.749 1.00 0.00 O ATOM 462 OE2 GLU A 56 -16.609 -7.608 -1.819 1.00 0.00 O ATOM 0 H GLU A 56 -11.385 -5.183 -2.084 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.245 -5.744 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.805 -5.943 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.607 -7.174 -3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.625 -8.284 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.398 -8.593 -2.449 1.00 0.00 H new ATOM 463 N LYS A 57 -11.653 -7.767 -0.889 1.00 0.00 N ATOM 464 CA LYS A 57 -11.171 -8.898 -0.047 1.00 0.00 C ATOM 465 C LYS A 57 -10.113 -8.472 1.016 1.00 0.00 C ATOM 466 O LYS A 57 -9.485 -7.412 0.907 1.00 0.00 O ATOM 467 CB LYS A 57 -10.665 -10.013 -1.011 1.00 0.00 C ATOM 468 CG LYS A 57 -9.449 -9.668 -1.908 1.00 0.00 C ATOM 469 CD LYS A 57 -9.223 -10.655 -3.072 1.00 0.00 C ATOM 470 CE LYS A 57 -8.012 -10.318 -3.964 1.00 0.00 C ATOM 471 NZ LYS A 57 -8.241 -9.139 -4.824 1.00 0.00 N ATOM 0 H LYS A 57 -11.057 -7.584 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.992 -9.281 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.408 -10.887 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.493 -10.302 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.585 -8.667 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.552 -9.641 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.090 -11.657 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.120 -10.680 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.142 -10.137 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.778 -11.179 -4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.394 -8.960 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.054 -9.317 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.437 -8.308 -4.230 1.00 0.00 H new ATOM 472 N ASP A 58 -9.886 -9.335 2.031 1.00 0.00 N ATOM 473 CA ASP A 58 -8.734 -9.174 2.981 1.00 0.00 C ATOM 474 C ASP A 58 -7.340 -9.524 2.416 1.00 0.00 C ATOM 475 O ASP A 58 -6.345 -8.871 2.752 1.00 0.00 O ATOM 476 CB ASP A 58 -8.824 -9.950 4.316 1.00 0.00 C ATOM 477 CG ASP A 58 -10.163 -9.948 5.063 1.00 0.00 C ATOM 478 OD1 ASP A 58 -10.447 -8.973 5.794 1.00 0.00 O ATOM 479 OD2 ASP A 58 -10.935 -10.920 4.920 1.00 0.00 O ATOM 0 H ASP A 58 -10.473 -10.147 2.223 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.833 -8.102 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.554 -10.987 4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.067 -9.547 4.988 1.00 0.00 H new ATOM 480 N THR A 59 -7.287 -10.579 1.587 1.00 0.00 N ATOM 481 CA THR A 59 -6.059 -10.972 0.847 1.00 0.00 C ATOM 482 C THR A 59 -5.410 -9.869 -0.050 1.00 0.00 C ATOM 483 O THR A 59 -4.219 -9.970 -0.348 1.00 0.00 O ATOM 484 CB THR A 59 -6.231 -12.315 0.079 1.00 0.00 C ATOM 485 OG1 THR A 59 -7.113 -12.152 -1.027 1.00 0.00 O ATOM 486 CG2 THR A 59 -6.723 -13.525 0.897 1.00 0.00 C ATOM 0 H THR A 59 -8.086 -11.186 1.406 1.00 0.00 H new ATOM 0 HA THR A 59 -5.330 -11.122 1.643 1.00 0.00 H new ATOM 0 HB THR A 59 -5.212 -12.552 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.208 -13.006 -1.499 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.801 -14.396 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.016 -13.733 1.700 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.701 -13.302 1.324 1.00 0.00 H new ATOM 487 N TYR A 60 -6.164 -8.813 -0.421 1.00 0.00 N ATOM 488 CA TYR A 60 -5.589 -7.529 -0.849 1.00 0.00 C ATOM 489 C TYR A 60 -6.492 -6.396 -0.289 1.00 0.00 C ATOM 490 O TYR A 60 -7.591 -6.141 -0.798 1.00 0.00 O ATOM 491 CB TYR A 60 -5.474 -7.528 -2.389 1.00 0.00 C ATOM 492 CG TYR A 60 -4.565 -6.413 -2.889 1.00 0.00 C ATOM 493 CD1 TYR A 60 -3.182 -6.524 -2.738 1.00 0.00 C ATOM 494 CD2 TYR A 60 -5.110 -5.253 -3.428 1.00 0.00 C ATOM 495 CE1 TYR A 60 -2.348 -5.498 -3.159 1.00 0.00 C ATOM 496 CE2 TYR A 60 -4.274 -4.247 -3.892 1.00 0.00 C ATOM 497 CZ TYR A 60 -2.901 -4.359 -3.747 1.00 0.00 C ATOM 498 OH TYR A 60 -2.109 -3.334 -4.184 1.00 0.00 O ATOM 0 H TYR A 60 -7.184 -8.830 -0.431 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.583 -7.369 -0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.087 -8.490 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.465 -7.412 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.759 -7.412 -2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.182 -5.135 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.279 -5.580 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.695 -3.374 -4.368 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.742 -3.557 -5.065 1.00 0.00 H new ATOM 499 N LYS A 61 -5.987 -5.728 0.759 1.00 0.00 N ATOM 500 CA LYS A 61 -6.678 -4.596 1.440 1.00 0.00 C ATOM 501 C LYS A 61 -5.734 -3.367 1.572 1.00 0.00 C ATOM 502 O LYS A 61 -4.513 -3.500 1.657 1.00 0.00 O ATOM 503 CB LYS A 61 -7.285 -5.025 2.808 1.00 0.00 C ATOM 504 CG LYS A 61 -6.315 -5.515 3.916 1.00 0.00 C ATOM 505 CD LYS A 61 -6.883 -5.475 5.351 1.00 0.00 C ATOM 506 CE LYS A 61 -8.070 -6.425 5.579 1.00 0.00 C ATOM 507 NZ LYS A 61 -8.583 -6.395 6.960 1.00 0.00 N ATOM 0 H LYS A 61 -5.080 -5.952 1.170 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.518 -4.294 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.844 -4.178 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.005 -5.821 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.017 -6.538 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.412 -4.905 3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.088 -5.728 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.197 -4.456 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.875 -6.160 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.765 -7.442 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.381 -7.056 7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.827 -6.675 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.903 -5.433 7.190 1.00 0.00 H new ATOM 508 N LEU A 62 -6.328 -2.163 1.598 1.00 0.00 N ATOM 509 CA LEU A 62 -5.589 -0.868 1.661 1.00 0.00 C ATOM 510 C LEU A 62 -5.963 -0.133 2.986 1.00 0.00 C ATOM 511 O LEU A 62 -7.143 -0.029 3.326 1.00 0.00 O ATOM 512 CB LEU A 62 -5.916 -0.062 0.364 1.00 0.00 C ATOM 513 CG LEU A 62 -5.110 -0.309 -0.939 1.00 0.00 C ATOM 514 CD1 LEU A 62 -3.653 0.119 -0.839 1.00 0.00 C ATOM 515 CD2 LEU A 62 -5.059 -1.739 -1.452 1.00 0.00 C ATOM 0 H LEU A 62 -7.341 -2.048 1.576 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.508 -1.005 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.966 -0.238 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.817 0.996 0.608 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.686 0.303 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.149 -0.082 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.601 1.185 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.164 -0.440 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.466 -1.777 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.603 -2.380 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.071 -2.087 -1.661 1.00 0.00 H new ATOM 516 N PHE A 63 -4.964 0.377 3.742 1.00 0.00 N ATOM 517 CA PHE A 63 -5.207 1.125 5.011 1.00 0.00 C ATOM 518 C PHE A 63 -5.439 2.656 4.800 1.00 0.00 C ATOM 519 O PHE A 63 -5.057 3.239 3.777 1.00 0.00 O ATOM 520 CB PHE A 63 -3.967 0.868 5.917 1.00 0.00 C ATOM 521 CG PHE A 63 -4.125 1.143 7.424 1.00 0.00 C ATOM 522 CD1 PHE A 63 -5.032 0.394 8.182 1.00 0.00 C ATOM 523 CD2 PHE A 63 -3.338 2.111 8.057 1.00 0.00 C ATOM 524 CE1 PHE A 63 -5.138 0.600 9.554 1.00 0.00 C ATOM 525 CE2 PHE A 63 -3.437 2.305 9.433 1.00 0.00 C ATOM 526 CZ PHE A 63 -4.334 1.548 10.180 1.00 0.00 C ATOM 0 H PHE A 63 -3.977 0.287 3.500 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.129 0.768 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.669 -0.173 5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.145 1.481 5.546 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.652 -0.347 7.700 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.651 2.710 7.477 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.844 0.024 10.133 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.817 3.043 9.920 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.407 1.696 11.247 1.00 0.00 H new ATOM 527 N LYS A 64 -6.040 3.298 5.823 1.00 0.00 N ATOM 528 CA LYS A 64 -6.326 4.759 5.834 1.00 0.00 C ATOM 529 C LYS A 64 -5.088 5.692 5.921 1.00 0.00 C ATOM 530 O LYS A 64 -4.938 6.537 5.031 1.00 0.00 O ATOM 531 CB LYS A 64 -7.408 5.061 6.912 1.00 0.00 C ATOM 532 CG LYS A 64 -7.902 6.528 7.042 1.00 0.00 C ATOM 533 CD LYS A 64 -8.660 7.112 5.832 1.00 0.00 C ATOM 534 CE LYS A 64 -10.069 6.523 5.642 1.00 0.00 C ATOM 535 NZ LYS A 64 -10.725 7.088 4.451 1.00 0.00 N ATOM 0 H LYS A 64 -6.344 2.821 6.672 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.718 5.007 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.274 4.432 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.014 4.752 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.552 6.592 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.038 7.162 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.741 8.192 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.077 6.934 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.003 5.439 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.674 6.728 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.729 7.265 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.262 7.982 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.648 6.416 3.661 1.00 0.00 H new ATOM 536 N ASN A 65 -4.221 5.568 6.950 1.00 0.00 N ATOM 537 CA ASN A 65 -3.009 6.404 7.140 1.00 0.00 C ATOM 538 C ASN A 65 -2.080 6.560 5.895 1.00 0.00 C ATOM 539 O ASN A 65 -1.577 7.655 5.622 1.00 0.00 O ATOM 540 CB ASN A 65 -2.181 5.938 8.374 1.00 0.00 C ATOM 541 CG ASN A 65 -2.806 6.232 9.756 1.00 0.00 C ATOM 542 OD1 ASN A 65 -3.848 5.685 10.121 1.00 0.00 O ATOM 543 ND2 ASN A 65 -2.192 7.095 10.552 1.00 0.00 N ATOM 0 H ASN A 65 -4.344 4.873 7.686 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.415 7.401 7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.017 4.864 8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.202 6.414 8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.582 7.308 11.470 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.330 7.546 10.247 1.00 0.00 H new ATOM 544 N GLY A 66 -1.917 5.452 5.163 1.00 0.00 N ATOM 545 CA GLY A 66 -1.360 5.464 3.797 1.00 0.00 C ATOM 546 C GLY A 66 -0.563 4.185 3.530 1.00 0.00 C ATOM 547 O GLY A 66 0.669 4.238 3.434 1.00 0.00 O ATOM 0 H GLY A 66 -2.166 4.521 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.167 5.555 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.716 6.334 3.668 1.00 0.00 H new ATOM 548 N THR A 67 -1.267 3.035 3.477 1.00 0.00 N ATOM 549 CA THR A 67 -0.640 1.703 3.671 1.00 0.00 C ATOM 550 C THR A 67 -1.497 0.632 2.913 1.00 0.00 C ATOM 551 O THR A 67 -2.507 0.898 2.252 1.00 0.00 O ATOM 552 CB THR A 67 -0.372 1.514 5.221 1.00 0.00 C ATOM 553 OG1 THR A 67 0.870 2.132 5.545 1.00 0.00 O ATOM 554 CG2 THR A 67 -0.346 0.091 5.808 1.00 0.00 C ATOM 0 H THR A 67 -2.271 2.998 3.302 1.00 0.00 H new ATOM 0 HA THR A 67 0.346 1.587 3.222 1.00 0.00 H new ATOM 0 HB THR A 67 -1.253 1.969 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.579 1.455 5.557 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.151 0.143 6.879 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.309 -0.391 5.638 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.440 -0.488 5.323 1.00 0.00 H new ATOM 555 N LEU A 68 -0.993 -0.603 2.971 1.00 0.00 N ATOM 556 CA LEU A 68 -1.542 -1.793 2.309 1.00 0.00 C ATOM 557 C LEU A 68 -1.181 -3.029 3.178 1.00 0.00 C ATOM 558 O LEU A 68 -0.076 -3.113 3.731 1.00 0.00 O ATOM 559 CB LEU A 68 -0.857 -1.842 0.919 1.00 0.00 C ATOM 560 CG LEU A 68 -1.560 -2.666 -0.171 1.00 0.00 C ATOM 561 CD1 LEU A 68 -1.333 -2.100 -1.587 1.00 0.00 C ATOM 562 CD2 LEU A 68 -1.170 -4.129 -0.156 1.00 0.00 C ATOM 0 H LEU A 68 -0.150 -0.812 3.506 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.626 -1.776 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.751 -0.820 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.149 -2.240 1.050 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.619 -2.589 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.853 -2.722 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.719 -1.082 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.266 -2.095 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.701 -4.655 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.096 -4.221 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.433 -4.566 0.808 1.00 0.00 H new ATOM 563 N LYS A 69 -2.093 -4.018 3.240 1.00 0.00 N ATOM 564 CA LYS A 69 -1.786 -5.363 3.800 1.00 0.00 C ATOM 565 C LYS A 69 -2.302 -6.457 2.815 1.00 0.00 C ATOM 566 O LYS A 69 -3.508 -6.570 2.570 1.00 0.00 O ATOM 567 CB LYS A 69 -2.360 -5.482 5.243 1.00 0.00 C ATOM 568 CG LYS A 69 -1.471 -6.329 6.177 1.00 0.00 C ATOM 569 CD LYS A 69 -1.803 -6.245 7.679 1.00 0.00 C ATOM 570 CE LYS A 69 -3.004 -7.108 8.095 1.00 0.00 C ATOM 571 NZ LYS A 69 -3.268 -7.012 9.543 1.00 0.00 N ATOM 0 H LYS A 69 -3.053 -3.917 2.910 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.711 -5.512 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.475 -4.484 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.355 -5.925 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.541 -7.372 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.434 -6.023 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.929 -6.553 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.006 -5.206 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.888 -6.792 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.815 -8.148 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.085 -7.607 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.433 -7.337 10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.473 -6.024 9.794 1.00 0.00 H new ATOM 572 N ILE A 70 -1.370 -7.258 2.262 1.00 0.00 N ATOM 573 CA ILE A 70 -1.668 -8.385 1.334 1.00 0.00 C ATOM 574 C ILE A 70 -1.706 -9.654 2.249 1.00 0.00 C ATOM 575 O ILE A 70 -0.631 -10.202 2.530 1.00 0.00 O ATOM 576 CB ILE A 70 -0.611 -8.537 0.151 1.00 0.00 C ATOM 577 CG1 ILE A 70 -0.119 -7.228 -0.535 1.00 0.00 C ATOM 578 CG2 ILE A 70 -1.160 -9.499 -0.929 1.00 0.00 C ATOM 579 CD1 ILE A 70 0.966 -7.312 -1.633 1.00 0.00 C ATOM 0 H ILE A 70 -0.373 -7.145 2.445 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.610 -8.217 0.812 1.00 0.00 H new ATOM 0 HB ILE A 70 0.274 -8.932 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.990 -6.739 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.257 -6.569 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.431 -9.597 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.344 -10.477 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.092 -9.101 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.189 -6.311 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.871 -7.756 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.604 -7.929 -2.456 1.00 0.00 H new ATOM 580 N LYS A 71 -2.887 -10.106 2.755 1.00 0.00 N ATOM 581 CA LYS A 71 -2.916 -11.246 3.729 1.00 0.00 C ATOM 582 C LYS A 71 -2.909 -12.609 2.986 1.00 0.00 C ATOM 583 O LYS A 71 -3.735 -12.851 2.106 1.00 0.00 O ATOM 584 CB LYS A 71 -4.097 -11.156 4.732 1.00 0.00 C ATOM 585 CG LYS A 71 -3.861 -10.172 5.905 1.00 0.00 C ATOM 586 CD LYS A 71 -4.781 -10.360 7.128 1.00 0.00 C ATOM 587 CE LYS A 71 -6.240 -9.957 6.894 1.00 0.00 C ATOM 588 NZ LYS A 71 -7.027 -9.937 8.137 1.00 0.00 N ATOM 0 H LYS A 71 -3.801 -9.720 2.520 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.006 -11.172 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.994 -10.852 4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.290 -12.149 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.826 -10.268 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.985 -9.155 5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.751 -11.406 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.385 -9.775 7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.271 -8.970 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.697 -10.652 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.006 -9.658 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.022 -10.884 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.610 -9.254 8.801 1.00 0.00 H new ATOM 589 N HIS A 72 -1.959 -13.496 3.344 1.00 0.00 N ATOM 590 CA HIS A 72 -1.736 -14.807 2.666 1.00 0.00 C ATOM 591 C HIS A 72 -1.180 -14.579 1.230 1.00 0.00 C ATOM 592 O HIS A 72 -1.870 -14.061 0.346 1.00 0.00 O ATOM 593 CB HIS A 72 -2.947 -15.781 2.760 1.00 0.00 C ATOM 594 CG HIS A 72 -2.626 -17.263 2.536 1.00 0.00 C ATOM 595 ND1 HIS A 72 -3.323 -18.082 1.657 1.00 0.00 N ATOM 596 CD2 HIS A 72 -1.710 -18.033 3.278 1.00 0.00 C ATOM 597 CE1 HIS A 72 -2.760 -19.291 1.958 1.00 0.00 C ATOM 598 NE2 HIS A 72 -1.769 -19.361 2.897 1.00 0.00 N ATOM 0 H HIS A 72 -1.315 -13.329 4.117 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.966 -15.346 3.217 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.402 -15.671 3.744 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.694 -15.475 2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.052 -17.641 4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.097 -20.186 1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.229 -20.162 3.223 1.00 0.00 H new ATOM 599 N LEU A 73 0.104 -14.900 1.060 1.00 0.00 N ATOM 600 CA LEU A 73 0.968 -14.379 -0.037 1.00 0.00 C ATOM 601 C LEU A 73 1.564 -15.541 -0.904 1.00 0.00 C ATOM 602 O LEU A 73 2.742 -15.647 -1.231 1.00 0.00 O ATOM 603 CB LEU A 73 1.901 -13.341 0.673 1.00 0.00 C ATOM 604 CG LEU A 73 3.309 -12.967 0.160 1.00 0.00 C ATOM 605 CD1 LEU A 73 4.361 -14.072 0.394 1.00 0.00 C ATOM 606 CD2 LEU A 73 3.275 -12.448 -1.277 1.00 0.00 C ATOM 0 H LEU A 73 0.595 -15.540 1.684 1.00 0.00 H new ATOM 0 HA LEU A 73 0.468 -13.839 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.337 -12.410 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.031 -13.695 1.696 1.00 0.00 H new ATOM 0 HG LEU A 73 3.649 -12.134 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.326 -13.743 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.445 -14.274 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.055 -14.981 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.286 -12.197 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.867 -13.218 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.647 -11.559 -1.328 1.00 0.00 H new ATOM 607 N LYS A 74 0.654 -16.370 -1.392 1.00 0.00 N ATOM 608 CA LYS A 74 0.923 -17.387 -2.446 1.00 0.00 C ATOM 609 C LYS A 74 1.112 -16.701 -3.857 1.00 0.00 C ATOM 610 O LYS A 74 1.051 -15.470 -3.984 1.00 0.00 O ATOM 611 CB LYS A 74 -0.125 -18.528 -2.455 1.00 0.00 C ATOM 612 CG LYS A 74 -0.394 -19.246 -1.110 1.00 0.00 C ATOM 613 CD LYS A 74 -1.274 -20.508 -1.220 1.00 0.00 C ATOM 614 CE LYS A 74 -2.716 -20.231 -1.692 1.00 0.00 C ATOM 615 NZ LYS A 74 -3.548 -21.447 -1.639 1.00 0.00 N ATOM 0 H LYS A 74 -0.315 -16.370 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 74 1.867 -17.874 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.069 -18.118 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.195 -19.276 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.561 -19.523 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.873 -18.544 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.804 -21.206 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.309 -20.999 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.162 -19.457 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.698 -19.846 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.511 -21.223 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.136 -22.177 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.585 -21.800 -0.661 1.00 0.00 H new ATOM 616 N THR A 75 1.378 -17.477 -4.932 1.00 0.00 N ATOM 617 CA THR A 75 1.689 -16.924 -6.275 1.00 0.00 C ATOM 618 C THR A 75 0.482 -16.248 -6.985 1.00 0.00 C ATOM 619 O THR A 75 0.618 -15.135 -7.497 1.00 0.00 O ATOM 620 CB THR A 75 2.422 -17.942 -7.208 1.00 0.00 C ATOM 621 OG1 THR A 75 3.590 -18.458 -6.581 1.00 0.00 O ATOM 622 CG2 THR A 75 2.890 -17.362 -8.558 1.00 0.00 C ATOM 0 H THR A 75 1.384 -18.496 -4.897 1.00 0.00 H new ATOM 0 HA THR A 75 2.395 -16.119 -6.071 1.00 0.00 H new ATOM 0 HB THR A 75 1.668 -18.706 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.031 -19.094 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.387 -18.141 -9.136 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.028 -16.992 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.586 -16.542 -8.380 1.00 0.00 H new ATOM 623 N ASP A 76 -0.682 -16.916 -6.972 1.00 0.00 N ATOM 624 CA ASP A 76 -1.987 -16.251 -7.260 1.00 0.00 C ATOM 625 C ASP A 76 -2.600 -15.602 -5.968 1.00 0.00 C ATOM 626 O ASP A 76 -3.720 -15.896 -5.538 1.00 0.00 O ATOM 627 CB ASP A 76 -2.899 -17.276 -7.987 1.00 0.00 C ATOM 628 CG ASP A 76 -4.144 -16.676 -8.653 1.00 0.00 C ATOM 629 OD1 ASP A 76 -4.027 -16.133 -9.773 1.00 0.00 O ATOM 630 OD2 ASP A 76 -5.241 -16.746 -8.060 1.00 0.00 O ATOM 0 H ASP A 76 -0.759 -17.912 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.860 -15.402 -7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.310 -17.789 -8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.218 -18.031 -7.268 1.00 0.00 H new ATOM 631 N ASP A 77 -1.822 -14.669 -5.407 1.00 0.00 N ATOM 632 CA ASP A 77 -2.228 -13.701 -4.363 1.00 0.00 C ATOM 633 C ASP A 77 -1.541 -12.311 -4.603 1.00 0.00 C ATOM 634 O ASP A 77 -2.068 -11.340 -4.052 1.00 0.00 O ATOM 635 CB ASP A 77 -1.952 -14.232 -2.924 1.00 0.00 C ATOM 636 CG ASP A 77 -3.020 -15.190 -2.377 1.00 0.00 C ATOM 637 OD1 ASP A 77 -4.082 -14.713 -1.923 1.00 0.00 O ATOM 638 OD2 ASP A 77 -2.797 -16.418 -2.386 1.00 0.00 O ATOM 0 H ASP A 77 -0.845 -14.557 -5.676 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.307 -13.569 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.989 -14.742 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.866 -13.381 -2.248 1.00 0.00 H new ATOM 639 N GLN A 78 -0.421 -12.170 -5.380 1.00 0.00 N ATOM 640 CA GLN A 78 0.278 -10.846 -5.527 1.00 0.00 C ATOM 641 C GLN A 78 0.634 -10.415 -6.992 1.00 0.00 C ATOM 642 O GLN A 78 0.395 -11.144 -7.959 1.00 0.00 O ATOM 643 CB GLN A 78 1.461 -10.799 -4.522 1.00 0.00 C ATOM 644 CG GLN A 78 2.519 -11.930 -4.570 1.00 0.00 C ATOM 645 CD GLN A 78 3.262 -12.167 -5.897 1.00 0.00 C ATOM 646 OE1 GLN A 78 4.281 -11.546 -6.179 1.00 0.00 O ATOM 647 NE2 GLN A 78 2.790 -13.092 -6.714 1.00 0.00 N ATOM 0 H GLN A 78 0.009 -12.933 -5.902 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.435 -10.063 -5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.981 -9.852 -4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.041 -10.781 -3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.264 -11.723 -3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.025 -12.861 -4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.942 -13.603 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.274 -13.295 -7.589 1.00 0.00 H new ATOM 648 N ASP A 79 1.176 -9.178 -7.128 1.00 0.00 N ATOM 649 CA ASP A 79 1.387 -8.491 -8.438 1.00 0.00 C ATOM 650 C ASP A 79 2.615 -7.518 -8.410 1.00 0.00 C ATOM 651 O ASP A 79 3.156 -7.186 -7.354 1.00 0.00 O ATOM 652 CB ASP A 79 0.094 -7.678 -8.776 1.00 0.00 C ATOM 653 CG ASP A 79 -0.333 -7.761 -10.247 1.00 0.00 C ATOM 654 OD1 ASP A 79 0.273 -7.079 -11.101 1.00 0.00 O ATOM 655 OD2 ASP A 79 -1.277 -8.523 -10.558 1.00 0.00 O ATOM 0 H ASP A 79 1.482 -8.622 -6.330 1.00 0.00 H new ATOM 0 HA ASP A 79 1.592 -9.249 -9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.723 -8.039 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.257 -6.632 -8.515 1.00 0.00 H new ATOM 656 N ILE A 80 2.965 -6.944 -9.585 1.00 0.00 N ATOM 657 CA ILE A 80 3.775 -5.685 -9.680 1.00 0.00 C ATOM 658 C ILE A 80 2.825 -4.468 -9.397 1.00 0.00 C ATOM 659 O ILE A 80 1.723 -4.385 -9.954 1.00 0.00 O ATOM 660 CB ILE A 80 4.523 -5.519 -11.057 1.00 0.00 C ATOM 661 CG1 ILE A 80 5.324 -6.777 -11.499 1.00 0.00 C ATOM 662 CG2 ILE A 80 5.472 -4.290 -11.012 1.00 0.00 C ATOM 663 CD1 ILE A 80 5.884 -6.776 -12.930 1.00 0.00 C ATOM 0 H ILE A 80 2.701 -7.329 -10.492 1.00 0.00 H new ATOM 0 HA ILE A 80 4.568 -5.734 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 80 3.740 -5.371 -11.801 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.157 -6.909 -10.809 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.677 -7.647 -11.388 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.982 -4.188 -11.970 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.892 -3.389 -10.812 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.210 -4.429 -10.222 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.420 -7.708 -13.112 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.064 -6.685 -13.642 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.566 -5.935 -13.053 1.00 0.00 H new ATOM 664 N TYR A 81 3.285 -3.535 -8.543 1.00 0.00 N ATOM 665 CA TYR A 81 2.491 -2.347 -8.126 1.00 0.00 C ATOM 666 C TYR A 81 3.202 -1.000 -8.496 1.00 0.00 C ATOM 667 O TYR A 81 4.343 -0.927 -8.951 1.00 0.00 O ATOM 668 CB TYR A 81 2.179 -2.451 -6.594 1.00 0.00 C ATOM 669 CG TYR A 81 1.208 -3.563 -6.154 1.00 0.00 C ATOM 670 CD1 TYR A 81 -0.134 -3.574 -6.555 1.00 0.00 C ATOM 671 CD2 TYR A 81 1.689 -4.627 -5.382 1.00 0.00 C ATOM 672 CE1 TYR A 81 -0.888 -4.734 -6.402 1.00 0.00 C ATOM 673 CE2 TYR A 81 0.920 -5.767 -5.197 1.00 0.00 C ATOM 674 CZ TYR A 81 -0.346 -5.849 -5.765 1.00 0.00 C ATOM 675 OH TYR A 81 -1.099 -6.979 -5.587 1.00 0.00 O ATOM 0 H TYR A 81 4.212 -3.576 -8.120 1.00 0.00 H new ATOM 0 HA TYR A 81 1.550 -2.341 -8.677 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.121 -2.595 -6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.771 -1.495 -6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.581 -2.688 -6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.666 -4.560 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.899 -4.770 -6.779 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.305 -6.590 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.675 -6.868 -4.802 1.00 0.00 H new ATOM 676 N LYS A 82 2.459 0.093 -8.293 1.00 0.00 N ATOM 677 CA LYS A 82 2.955 1.490 -8.367 1.00 0.00 C ATOM 678 C LYS A 82 1.988 2.336 -7.486 1.00 0.00 C ATOM 679 O LYS A 82 0.797 2.034 -7.352 1.00 0.00 O ATOM 680 CB LYS A 82 2.987 1.947 -9.852 1.00 0.00 C ATOM 681 CG LYS A 82 3.357 3.425 -10.122 1.00 0.00 C ATOM 682 CD LYS A 82 3.397 3.769 -11.624 1.00 0.00 C ATOM 683 CE LYS A 82 3.746 5.248 -11.882 1.00 0.00 C ATOM 684 NZ LYS A 82 3.768 5.542 -13.326 1.00 0.00 N ATOM 0 H LYS A 82 1.466 0.039 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 82 3.974 1.603 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.698 1.316 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.005 1.758 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.634 4.072 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.330 3.637 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.132 3.134 -12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.428 3.544 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.016 5.889 -11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.718 5.477 -11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.005 6.544 -13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.482 4.945 -13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.832 5.344 -13.735 1.00 0.00 H new ATOM 685 N VAL A 83 2.511 3.424 -6.893 1.00 0.00 N ATOM 686 CA VAL A 83 1.716 4.353 -6.044 1.00 0.00 C ATOM 687 C VAL A 83 1.561 5.741 -6.724 1.00 0.00 C ATOM 688 O VAL A 83 2.509 6.274 -7.312 1.00 0.00 O ATOM 689 CB VAL A 83 2.295 4.391 -4.591 1.00 0.00 C ATOM 690 CG1 VAL A 83 3.641 5.128 -4.402 1.00 0.00 C ATOM 691 CG2 VAL A 83 1.284 4.891 -3.544 1.00 0.00 C ATOM 0 H VAL A 83 3.491 3.690 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 83 0.697 3.981 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 83 2.507 3.336 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.936 5.084 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.406 4.651 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.531 6.169 -4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.751 4.892 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.968 5.903 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.416 4.232 -3.533 1.00 0.00 H new ATOM 692 N SER A 84 0.363 6.331 -6.573 1.00 0.00 N ATOM 693 CA SER A 84 0.153 7.790 -6.738 1.00 0.00 C ATOM 694 C SER A 84 -0.646 8.309 -5.509 1.00 0.00 C ATOM 695 O SER A 84 -1.528 7.635 -4.966 1.00 0.00 O ATOM 696 CB SER A 84 -0.615 8.130 -8.031 1.00 0.00 C ATOM 697 OG SER A 84 0.049 7.641 -9.190 1.00 0.00 O ATOM 0 H SER A 84 -0.486 5.818 -6.335 1.00 0.00 H new ATOM 0 HA SER A 84 1.128 8.271 -6.809 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.617 7.704 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.732 9.211 -8.109 1.00 0.00 H new ATOM 0 HG SER A 84 -0.404 6.833 -9.510 1.00 0.00 H new ATOM 698 N ILE A 85 -0.319 9.536 -5.084 1.00 0.00 N ATOM 699 CA ILE A 85 -0.931 10.187 -3.888 1.00 0.00 C ATOM 700 C ILE A 85 -1.478 11.575 -4.351 1.00 0.00 C ATOM 701 O ILE A 85 -0.778 12.363 -4.990 1.00 0.00 O ATOM 702 CB ILE A 85 0.067 10.243 -2.667 1.00 0.00 C ATOM 703 CG1 ILE A 85 0.494 8.829 -2.150 1.00 0.00 C ATOM 704 CG2 ILE A 85 -0.501 11.044 -1.464 1.00 0.00 C ATOM 705 CD1 ILE A 85 1.849 8.331 -2.674 1.00 0.00 C ATOM 0 H ILE A 85 0.377 10.117 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.763 9.600 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 85 0.943 10.754 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.528 8.852 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.274 8.108 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.228 11.049 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.707 12.069 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.424 10.577 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.058 7.344 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.818 8.270 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.633 9.025 -2.371 1.00 0.00 H new ATOM 706 N TYR A 86 -2.749 11.843 -3.995 1.00 0.00 N ATOM 707 CA TYR A 86 -3.462 13.109 -4.345 1.00 0.00 C ATOM 708 C TYR A 86 -4.099 13.672 -3.041 1.00 0.00 C ATOM 709 O TYR A 86 -4.554 12.929 -2.163 1.00 0.00 O ATOM 710 CB TYR A 86 -4.550 12.932 -5.452 1.00 0.00 C ATOM 711 CG TYR A 86 -4.164 12.181 -6.745 1.00 0.00 C ATOM 712 CD1 TYR A 86 -4.126 10.780 -6.732 1.00 0.00 C ATOM 713 CD2 TYR A 86 -3.900 12.860 -7.940 1.00 0.00 C ATOM 714 CE1 TYR A 86 -3.818 10.071 -7.887 1.00 0.00 C ATOM 715 CE2 TYR A 86 -3.612 12.146 -9.102 1.00 0.00 C ATOM 716 CZ TYR A 86 -3.564 10.753 -9.074 1.00 0.00 C ATOM 717 OH TYR A 86 -3.263 10.052 -10.211 1.00 0.00 O ATOM 0 H TYR A 86 -3.320 11.193 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.734 13.802 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.397 12.411 -5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.900 13.925 -5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.338 10.247 -5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.919 13.940 -7.962 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.776 8.992 -7.864 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.426 12.673 -10.026 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.114 10.677 -10.951 1.00 0.00 H new ATOM 718 N ASP A 87 -4.148 15.009 -2.929 1.00 0.00 N ATOM 719 CA ASP A 87 -4.672 15.707 -1.718 1.00 0.00 C ATOM 720 C ASP A 87 -6.230 15.856 -1.754 1.00 0.00 C ATOM 721 O ASP A 87 -6.909 15.331 -2.646 1.00 0.00 O ATOM 722 CB ASP A 87 -3.909 17.060 -1.569 1.00 0.00 C ATOM 723 CG ASP A 87 -2.408 16.939 -1.247 1.00 0.00 C ATOM 724 OD1 ASP A 87 -2.062 16.669 -0.074 1.00 0.00 O ATOM 725 OD2 ASP A 87 -1.577 17.100 -2.168 1.00 0.00 O ATOM 0 H ASP A 87 -3.831 15.643 -3.663 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.485 15.110 -0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.020 17.625 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.387 17.642 -0.781 1.00 0.00 H new ATOM 726 N THR A 88 -6.810 16.580 -0.771 1.00 0.00 N ATOM 727 CA THR A 88 -8.250 17.007 -0.816 1.00 0.00 C ATOM 728 C THR A 88 -8.717 17.855 -2.056 1.00 0.00 C ATOM 729 O THR A 88 -9.887 17.754 -2.441 1.00 0.00 O ATOM 730 CB THR A 88 -8.791 17.577 0.539 1.00 0.00 C ATOM 731 OG1 THR A 88 -8.547 18.976 0.644 1.00 0.00 O ATOM 732 CG2 THR A 88 -8.375 16.877 1.847 1.00 0.00 C ATOM 0 H THR A 88 -6.315 16.886 0.066 1.00 0.00 H new ATOM 0 HA THR A 88 -8.740 16.048 -0.982 1.00 0.00 H new ATOM 0 HB THR A 88 -9.855 17.355 0.461 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.853 19.137 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.830 17.389 2.695 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.710 15.840 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.290 16.906 1.946 1.00 0.00 H new ATOM 733 N LYS A 89 -7.817 18.625 -2.701 1.00 0.00 N ATOM 734 CA LYS A 89 -8.033 19.176 -4.071 1.00 0.00 C ATOM 735 C LYS A 89 -8.244 18.119 -5.204 1.00 0.00 C ATOM 736 O LYS A 89 -9.102 18.340 -6.066 1.00 0.00 O ATOM 737 CB LYS A 89 -6.814 20.064 -4.463 1.00 0.00 C ATOM 738 CG LYS A 89 -6.692 21.442 -3.771 1.00 0.00 C ATOM 739 CD LYS A 89 -7.617 22.522 -4.370 1.00 0.00 C ATOM 740 CE LYS A 89 -7.417 23.907 -3.726 1.00 0.00 C ATOM 741 NZ LYS A 89 -8.255 24.924 -4.385 1.00 0.00 N ATOM 0 H LYS A 89 -6.919 18.887 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.966 19.736 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.905 19.500 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.848 20.229 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.920 21.328 -2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.659 21.783 -3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.434 22.596 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.655 22.215 -4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.665 23.858 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.368 24.195 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.101 25.847 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.000 24.985 -5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.257 24.658 -4.298 1.00 0.00 H new ATOM 742 N GLY A 90 -7.426 17.044 -5.259 1.00 0.00 N ATOM 743 CA GLY A 90 -7.234 16.249 -6.494 1.00 0.00 C ATOM 744 C GLY A 90 -6.042 16.805 -7.300 1.00 0.00 C ATOM 745 O GLY A 90 -6.232 17.383 -8.372 1.00 0.00 O ATOM 0 H GLY A 90 -6.887 16.706 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.056 15.204 -6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.139 16.279 -7.100 1.00 0.00 H new ATOM 746 N LYS A 91 -4.833 16.673 -6.726 1.00 0.00 N ATOM 747 CA LYS A 91 -3.629 17.403 -7.188 1.00 0.00 C ATOM 748 C LYS A 91 -2.422 16.512 -6.799 1.00 0.00 C ATOM 749 O LYS A 91 -2.154 16.278 -5.613 1.00 0.00 O ATOM 750 CB LYS A 91 -3.562 18.818 -6.539 1.00 0.00 C ATOM 751 CG LYS A 91 -2.641 19.832 -7.259 1.00 0.00 C ATOM 752 CD LYS A 91 -3.237 20.479 -8.531 1.00 0.00 C ATOM 753 CE LYS A 91 -4.351 21.508 -8.246 1.00 0.00 C ATOM 754 NZ LYS A 91 -4.863 22.123 -9.483 1.00 0.00 N ATOM 0 H LYS A 91 -4.659 16.060 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.639 17.578 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.570 19.231 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.223 18.712 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.381 20.624 -6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.713 19.327 -7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.437 20.969 -9.087 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.637 19.694 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.170 21.019 -7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.966 22.286 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.609 22.808 -9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.088 22.612 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.254 21.384 -10.102 1.00 0.00 H new ATOM 755 N ASN A 92 -1.717 16.000 -7.822 1.00 0.00 N ATOM 756 CA ASN A 92 -0.709 14.926 -7.645 1.00 0.00 C ATOM 757 C ASN A 92 0.606 15.447 -6.990 1.00 0.00 C ATOM 758 O ASN A 92 1.193 16.438 -7.432 1.00 0.00 O ATOM 759 CB ASN A 92 -0.481 14.266 -9.031 1.00 0.00 C ATOM 760 CG ASN A 92 0.468 13.056 -9.037 1.00 0.00 C ATOM 761 OD1 ASN A 92 1.655 13.186 -9.333 1.00 0.00 O ATOM 762 ND2 ASN A 92 -0.022 11.877 -8.693 1.00 0.00 N ATOM 0 H ASN A 92 -1.823 16.311 -8.788 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.077 14.177 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.446 13.951 -9.428 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.086 15.019 -9.713 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.587 11.059 -8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.009 11.786 -8.450 1.00 0.00 H new ATOM 763 N VAL A 93 1.042 14.726 -5.942 1.00 0.00 N ATOM 764 CA VAL A 93 2.268 15.058 -5.166 1.00 0.00 C ATOM 765 C VAL A 93 3.330 13.950 -5.445 1.00 0.00 C ATOM 766 O VAL A 93 4.200 14.121 -6.307 1.00 0.00 O ATOM 767 CB VAL A 93 1.972 15.404 -3.656 1.00 0.00 C ATOM 768 CG1 VAL A 93 1.670 16.907 -3.457 1.00 0.00 C ATOM 769 CG2 VAL A 93 0.926 14.540 -2.909 1.00 0.00 C ATOM 0 H VAL A 93 0.559 13.894 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 93 2.703 15.998 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 93 2.914 15.135 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.472 17.102 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.528 17.496 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.797 17.184 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.828 14.894 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.037 14.618 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.250 13.499 -2.905 1.00 0.00 H new ATOM 770 N LEU A 94 3.238 12.835 -4.715 1.00 0.00 N ATOM 771 CA LEU A 94 4.229 11.725 -4.748 1.00 0.00 C ATOM 772 C LEU A 94 3.807 10.631 -5.780 1.00 0.00 C ATOM 773 O LEU A 94 2.636 10.237 -5.843 1.00 0.00 O ATOM 774 CB LEU A 94 4.363 11.102 -3.325 1.00 0.00 C ATOM 775 CG LEU A 94 5.325 11.783 -2.307 1.00 0.00 C ATOM 776 CD1 LEU A 94 4.859 13.166 -1.813 1.00 0.00 C ATOM 777 CD2 LEU A 94 5.550 10.857 -1.092 1.00 0.00 C ATOM 0 H LEU A 94 2.466 12.663 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 94 5.193 12.127 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.369 11.078 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.684 10.067 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 94 6.254 11.950 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.588 13.565 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.766 13.843 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.892 13.069 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.224 11.341 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.596 10.658 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.990 9.918 -1.427 1.00 0.00 H new ATOM 778 N GLU A 95 4.795 10.123 -6.545 1.00 0.00 N ATOM 779 CA GLU A 95 4.618 8.965 -7.471 1.00 0.00 C ATOM 780 C GLU A 95 5.917 8.097 -7.460 1.00 0.00 C ATOM 781 O GLU A 95 7.028 8.629 -7.594 1.00 0.00 O ATOM 782 CB GLU A 95 4.316 9.404 -8.931 1.00 0.00 C ATOM 783 CG GLU A 95 2.899 9.965 -9.158 1.00 0.00 C ATOM 784 CD GLU A 95 2.566 10.160 -10.637 1.00 0.00 C ATOM 785 OE1 GLU A 95 2.948 11.203 -11.211 1.00 0.00 O ATOM 786 OE2 GLU A 95 1.918 9.270 -11.234 1.00 0.00 O ATOM 0 H GLU A 95 5.743 10.499 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 95 3.760 8.394 -7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.043 10.161 -9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.463 8.548 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.170 9.288 -8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.805 10.920 -8.641 1.00 0.00 H new ATOM 787 N LYS A 96 5.779 6.760 -7.302 1.00 0.00 N ATOM 788 CA LYS A 96 6.935 5.834 -7.081 1.00 0.00 C ATOM 789 C LYS A 96 6.533 4.357 -7.422 1.00 0.00 C ATOM 790 O LYS A 96 5.403 3.933 -7.176 1.00 0.00 O ATOM 791 CB LYS A 96 7.436 6.019 -5.614 1.00 0.00 C ATOM 792 CG LYS A 96 8.740 5.280 -5.243 1.00 0.00 C ATOM 793 CD LYS A 96 9.179 5.474 -3.772 1.00 0.00 C ATOM 794 CE LYS A 96 9.807 6.834 -3.416 1.00 0.00 C ATOM 795 NZ LYS A 96 11.136 7.036 -4.025 1.00 0.00 N ATOM 0 H LYS A 96 4.875 6.287 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 96 7.760 6.073 -7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.582 7.084 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.649 5.686 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.609 4.215 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.540 5.625 -5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.309 5.323 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.896 4.692 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.140 7.632 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.895 6.914 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.506 7.968 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.785 6.294 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.054 6.989 -5.061 1.00 0.00 H new ATOM 796 N ILE A 97 7.469 3.567 -7.990 1.00 0.00 N ATOM 797 CA ILE A 97 7.205 2.179 -8.509 1.00 0.00 C ATOM 798 C ILE A 97 7.725 1.125 -7.472 1.00 0.00 C ATOM 799 O ILE A 97 8.718 1.340 -6.780 1.00 0.00 O ATOM 800 CB ILE A 97 7.802 1.971 -9.954 1.00 0.00 C ATOM 801 CG1 ILE A 97 7.386 3.116 -10.940 1.00 0.00 C ATOM 802 CG2 ILE A 97 7.429 0.587 -10.556 1.00 0.00 C ATOM 803 CD1 ILE A 97 7.813 3.019 -12.413 1.00 0.00 C ATOM 0 H ILE A 97 8.438 3.862 -8.109 1.00 0.00 H new ATOM 0 HA ILE A 97 6.130 2.036 -8.619 1.00 0.00 H new ATOM 0 HB ILE A 97 8.885 2.005 -9.831 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.299 3.193 -10.916 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.780 4.052 -10.544 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.864 0.494 -11.551 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.816 -0.205 -9.915 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.345 0.500 -10.625 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.445 3.889 -12.957 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.901 2.986 -12.475 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.397 2.113 -12.854 1.00 0.00 H new ATOM 804 N PHE A 98 7.004 0.001 -7.343 1.00 0.00 N ATOM 805 CA PHE A 98 7.198 -1.058 -6.294 1.00 0.00 C ATOM 806 C PHE A 98 6.890 -2.445 -6.978 1.00 0.00 C ATOM 807 O PHE A 98 6.247 -2.497 -8.032 1.00 0.00 O ATOM 808 CB PHE A 98 6.128 -0.790 -5.187 1.00 0.00 C ATOM 809 CG PHE A 98 6.434 0.360 -4.207 1.00 0.00 C ATOM 810 CD1 PHE A 98 6.294 1.699 -4.581 1.00 0.00 C ATOM 811 CD2 PHE A 98 6.847 0.071 -2.900 1.00 0.00 C ATOM 812 CE1 PHE A 98 6.665 2.721 -3.718 1.00 0.00 C ATOM 813 CE2 PHE A 98 7.234 1.090 -2.039 1.00 0.00 C ATOM 814 CZ PHE A 98 7.145 2.417 -2.444 1.00 0.00 C ATOM 0 H PHE A 98 6.239 -0.220 -7.980 1.00 0.00 H new ATOM 0 HA PHE A 98 8.203 -1.054 -5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.176 -0.580 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.996 -1.705 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.892 1.942 -5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.865 -0.953 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.582 3.751 -4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.605 0.851 -1.053 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.446 3.209 -1.775 1.00 0.00 H new ATOM 815 N ASP A 99 7.344 -3.605 -6.446 1.00 0.00 N ATOM 816 CA ASP A 99 7.352 -4.866 -7.260 1.00 0.00 C ATOM 817 C ASP A 99 7.165 -6.111 -6.359 1.00 0.00 C ATOM 818 O ASP A 99 8.180 -6.642 -5.895 1.00 0.00 O ATOM 819 CB ASP A 99 8.672 -5.007 -8.098 1.00 0.00 C ATOM 820 CG ASP A 99 8.966 -3.968 -9.194 1.00 0.00 C ATOM 821 OD1 ASP A 99 9.453 -2.865 -8.864 1.00 0.00 O ATOM 822 OD2 ASP A 99 8.736 -4.263 -10.386 1.00 0.00 O ATOM 0 H ASP A 99 7.699 -3.705 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 99 6.513 -4.803 -7.953 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.509 -4.997 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.661 -5.990 -8.569 1.00 0.00 H new ATOM 823 N LEU A 100 5.930 -6.655 -6.147 1.00 0.00 N ATOM 824 CA LEU A 100 5.799 -7.923 -5.379 1.00 0.00 C ATOM 825 C LEU A 100 6.226 -9.149 -6.240 1.00 0.00 C ATOM 826 O LEU A 100 5.739 -9.349 -7.358 1.00 0.00 O ATOM 827 CB LEU A 100 4.400 -8.108 -4.716 1.00 0.00 C ATOM 828 CG LEU A 100 4.383 -8.480 -3.204 1.00 0.00 C ATOM 829 CD1 LEU A 100 5.322 -9.645 -2.822 1.00 0.00 C ATOM 830 CD2 LEU A 100 4.650 -7.241 -2.328 1.00 0.00 C ATOM 0 H LEU A 100 5.052 -6.256 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 100 6.495 -7.853 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.838 -7.183 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.865 -8.884 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 100 3.376 -8.847 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.247 -9.837 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.033 -10.541 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.350 -9.381 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.633 -7.528 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.627 -6.825 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.880 -6.492 -2.512 1.00 0.00 H new ATOM 831 N LYS A 101 7.170 -9.930 -5.686 1.00 0.00 N ATOM 832 CA LYS A 101 7.794 -11.099 -6.360 1.00 0.00 C ATOM 833 C LYS A 101 7.924 -12.266 -5.339 1.00 0.00 C ATOM 834 O LYS A 101 8.148 -12.071 -4.139 1.00 0.00 O ATOM 835 CB LYS A 101 9.198 -10.750 -6.920 1.00 0.00 C ATOM 836 CG LYS A 101 9.222 -9.718 -8.070 1.00 0.00 C ATOM 837 CD LYS A 101 10.644 -9.478 -8.609 1.00 0.00 C ATOM 838 CE LYS A 101 10.688 -8.461 -9.764 1.00 0.00 C ATOM 839 NZ LYS A 101 12.058 -8.291 -10.275 1.00 0.00 N ATOM 0 H LYS A 101 7.531 -9.771 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 101 7.159 -11.391 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.811 -10.370 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.668 -11.669 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.582 -10.066 -8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.805 -8.775 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.279 -9.124 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.061 -10.425 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.036 -8.795 -10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.304 -7.501 -9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.055 -7.600 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.674 -7.949 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.414 -9.204 -10.624 1.00 0.00 H new ATOM 840 N ILE A 102 7.810 -13.501 -5.860 1.00 0.00 N ATOM 841 CA ILE A 102 7.908 -14.752 -5.053 1.00 0.00 C ATOM 842 C ILE A 102 9.311 -15.376 -5.323 1.00 0.00 C ATOM 843 O ILE A 102 9.739 -15.523 -6.474 1.00 0.00 O ATOM 844 CB ILE A 102 6.731 -15.732 -5.386 1.00 0.00 C ATOM 845 CG1 ILE A 102 5.300 -15.142 -5.226 1.00 0.00 C ATOM 846 CG2 ILE A 102 6.766 -17.088 -4.650 1.00 0.00 C ATOM 847 CD1 ILE A 102 4.911 -14.616 -3.829 1.00 0.00 C ATOM 0 H ILE A 102 7.647 -13.670 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 102 7.812 -14.537 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 102 6.926 -15.900 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.189 -14.325 -5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.583 -15.912 -5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.908 -17.688 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.686 -17.616 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.729 -16.919 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.891 -14.233 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.976 -15.427 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.591 -13.815 -3.539 1.00 0.00 H new ATOM 848 N GLN A 103 9.989 -15.793 -4.234 1.00 0.00 N ATOM 849 CA GLN A 103 11.326 -16.449 -4.295 1.00 0.00 C ATOM 850 C GLN A 103 11.246 -17.843 -4.989 1.00 0.00 C ATOM 851 O GLN A 103 10.424 -18.689 -4.619 1.00 0.00 O ATOM 852 CB GLN A 103 11.910 -16.585 -2.863 1.00 0.00 C ATOM 853 CG GLN A 103 12.285 -15.250 -2.173 1.00 0.00 C ATOM 854 CD GLN A 103 12.694 -15.395 -0.698 1.00 0.00 C ATOM 855 OE1 GLN A 103 11.925 -15.080 0.210 1.00 0.00 O ATOM 856 NE2 GLN A 103 13.906 -15.857 -0.425 1.00 0.00 N ATOM 0 H GLN A 103 9.631 -15.688 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 103 11.987 -15.823 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.183 -17.106 -2.240 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.799 -17.214 -2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 103 13.106 -14.788 -2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 103 11.436 -14.570 -2.238 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.536 -16.115 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.208 -15.954 0.544 1.00 0.00 H new ATOM 857 N GLU A 104 12.080 -18.037 -6.026 1.00 0.00 N ATOM 858 CA GLU A 104 12.026 -19.236 -6.907 1.00 0.00 C ATOM 859 C GLU A 104 13.468 -19.577 -7.353 1.00 0.00 C ATOM 860 O GLU A 104 14.000 -19.098 -8.359 1.00 0.00 O ATOM 861 CB GLU A 104 11.067 -18.988 -8.093 1.00 0.00 C ATOM 862 CG GLU A 104 10.822 -20.148 -9.085 1.00 0.00 C ATOM 863 CD GLU A 104 10.165 -21.385 -8.466 1.00 0.00 C ATOM 864 OE1 GLU A 104 8.919 -21.423 -8.363 1.00 0.00 O ATOM 865 OE2 GLU A 104 10.893 -22.327 -8.082 1.00 0.00 O ATOM 0 H GLU A 104 12.811 -17.374 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 104 11.625 -20.096 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.102 -18.689 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.450 -18.139 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.193 -19.787 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.775 -20.440 -9.525 1.00 0.00 H new ATOM 866 N ARG A 105 14.046 -20.446 -6.524 1.00 0.00 N ATOM 867 CA ARG A 105 15.411 -21.024 -6.675 1.00 0.00 C ATOM 868 C ARG A 105 16.529 -19.957 -6.558 1.00 0.00 C ATOM 869 O ARG A 105 16.834 -19.262 -7.554 1.00 0.00 O ATOM 870 CB ARG A 105 15.598 -21.961 -7.906 1.00 0.00 C ATOM 871 CG ARG A 105 14.768 -23.267 -7.861 1.00 0.00 C ATOM 872 CD ARG A 105 15.038 -24.263 -9.013 1.00 0.00 C ATOM 873 NE ARG A 105 16.423 -24.807 -9.047 1.00 0.00 N ATOM 874 CZ ARG A 105 16.876 -25.824 -8.285 1.00 0.00 C ATOM 875 NH1 ARG A 105 16.125 -26.498 -7.415 1.00 0.00 N ATOM 876 NH2 ARG A 105 18.143 -26.171 -8.407 1.00 0.00 N ATOM 877 OXT ARG A 105 17.103 -19.811 -5.456 1.00 0.00 O ATOM 0 H ARG A 105 13.569 -20.790 -5.690 1.00 0.00 H new ATOM 0 HA ARG A 105 15.516 -21.689 -5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 105 15.333 -21.410 -8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 105 16.653 -22.221 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.965 -23.770 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.710 -23.006 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.337 -25.094 -8.930 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.833 -23.766 -9.961 1.00 0.00 H new ATOM 0 HE ARG A 105 17.081 -24.377 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.142 -26.254 -7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.533 -27.258 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 105 18.747 -25.675 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.519 -26.936 -7.846 1.00 0.00 H new