USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 840 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 112 LYS NZ :NH3+ -143:sc= 0.00292 (180deg=0) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 0.00263 USER MOD Set 2.1: A 97 TYR OH : rot 165:sc= -0.759 USER MOD Set 2.2: A 104 GLN : amide:sc= -2.44! K(o=-3.2!,f=0.4) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 23 TYR OH : rot 15:sc=-0.00226 USER MOD Single : A 28 SER OG : rot 170:sc= -0.19 USER MOD Single : A 33 ASN : amide:sc= -4.09! K(o=-4.1!,f=0.86) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.0128 (180deg=-0.64) USER MOD Single : A 39 THR OG1 : rot 98:sc= 0.767 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -74:sc= 0.322 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0489 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 156:sc= -0.301 (180deg=-0.475) USER MOD Single : A 54 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-1.4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 31:sc= 0.258 USER MOD Single : A 60 THR OG1 : rot 110:sc= -3.05! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -3.91! K(o=-3.9!,f=-0.49) USER MOD Single : A 67 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.8!) USER MOD Single : A 68 LYS NZ :NH3+ 145:sc= -0.162 (180deg=-0.912) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0588) USER MOD Single : A 74 HIS : no HE2:sc= -15.5! C(o=-16!,f=-25!) USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= 0.724 (180deg=-0.878!) USER MOD Single : A 79 TYR OH : rot -14:sc= 0.21 USER MOD Single : A 82 SER OG : rot 180:sc=-0.000649 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -8.34! C(o=-8.3!,f=-4.9!) USER MOD Single : A 89 SER OG : rot -170:sc= -0.902 USER MOD Single : A 95 ASN : amide:sc= -0.993 K(o=-0.99,f=-2.7!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 85:sc= 0.7 USER MOD Single : A 105 TYR OH : rot -80:sc= -0.22 USER MOD Single : A 106 ASN : amide:sc= -0.175 K(o=-0.17,f=-0.75) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 53:sc= 0.887 USER MOD Single : A 119 LYS NZ :NH3+ 146:sc= -0.236 (180deg=-1.16!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.578 -9.554 -13.878 1.00 0.00 N ATOM 2 CA LEU A 17 2.410 -8.665 -13.034 1.00 0.00 C ATOM 3 C LEU A 17 3.862 -9.120 -13.099 1.00 0.00 C ATOM 4 O LEU A 17 4.461 -9.472 -12.102 1.00 0.00 O ATOM 5 CB LEU A 17 1.913 -8.738 -11.562 1.00 0.00 C ATOM 6 CG LEU A 17 2.199 -7.404 -10.807 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.011 -7.072 -9.902 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.453 -7.558 -9.937 1.00 0.00 C ATOM 0 HA LEU A 17 2.332 -7.640 -13.396 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.843 -8.947 -11.546 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.406 -9.563 -11.049 1.00 0.00 H new ATOM 0 HG LEU A 17 2.353 -6.607 -11.535 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.207 -6.140 -9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.111 -6.963 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.867 -7.876 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.648 -6.623 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.297 -8.356 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.306 -7.804 -10.569 1.00 0.00 H new ATOM 22 N GLN A 18 4.400 -9.107 -14.276 1.00 0.00 N ATOM 23 CA GLN A 18 5.805 -9.533 -14.430 1.00 0.00 C ATOM 24 C GLN A 18 6.720 -8.487 -13.845 1.00 0.00 C ATOM 25 O GLN A 18 7.796 -8.784 -13.365 1.00 0.00 O ATOM 26 CB GLN A 18 6.115 -9.687 -15.930 1.00 0.00 C ATOM 27 CG GLN A 18 5.153 -10.708 -16.550 1.00 0.00 C ATOM 28 CD GLN A 18 5.819 -12.086 -16.570 1.00 0.00 C ATOM 29 OE1 GLN A 18 5.892 -12.767 -15.565 1.00 0.00 O ATOM 30 NE2 GLN A 18 6.315 -12.532 -17.690 1.00 0.00 N ATOM 0 H GLN A 18 3.930 -8.821 -15.135 1.00 0.00 H new ATOM 0 HA GLN A 18 5.959 -10.480 -13.913 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.015 -8.725 -16.433 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.146 -10.013 -16.067 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.227 -10.747 -15.976 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.887 -10.405 -17.563 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.256 -11.965 -18.536 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.762 -13.448 -17.721 1.00 0.00 H new ATOM 39 N ASP A 19 6.270 -7.277 -13.896 1.00 0.00 N ATOM 40 CA ASP A 19 7.075 -6.178 -13.354 1.00 0.00 C ATOM 41 C ASP A 19 6.209 -4.965 -13.081 1.00 0.00 C ATOM 42 O ASP A 19 6.563 -4.106 -12.298 1.00 0.00 O ATOM 43 CB ASP A 19 8.115 -5.809 -14.396 1.00 0.00 C ATOM 44 CG ASP A 19 9.514 -5.989 -13.806 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.886 -5.134 -13.019 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.134 -6.973 -14.177 1.00 0.00 O ATOM 0 H ASP A 19 5.371 -7.004 -14.294 1.00 0.00 H new ATOM 0 HA ASP A 19 7.540 -6.492 -12.419 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.998 -6.436 -15.280 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.974 -4.777 -14.716 1.00 0.00 H new ATOM 51 N ALA A 20 5.083 -4.921 -13.727 1.00 0.00 N ATOM 52 CA ALA A 20 4.159 -3.767 -13.526 1.00 0.00 C ATOM 53 C ALA A 20 4.886 -2.433 -13.731 1.00 0.00 C ATOM 54 O ALA A 20 6.095 -2.402 -13.870 1.00 0.00 O ATOM 55 CB ALA A 20 3.620 -3.820 -12.090 1.00 0.00 C ATOM 0 H ALA A 20 4.759 -5.630 -14.385 1.00 0.00 H new ATOM 0 HA ALA A 20 3.350 -3.835 -14.253 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.942 -2.983 -11.925 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.084 -4.757 -11.937 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.451 -3.758 -11.387 1.00 0.00 H new ATOM 61 N GLU A 21 4.131 -1.351 -13.748 1.00 0.00 N ATOM 62 CA GLU A 21 4.759 -0.012 -13.941 1.00 0.00 C ATOM 63 C GLU A 21 4.790 0.755 -12.625 1.00 0.00 C ATOM 64 O GLU A 21 5.830 1.210 -12.190 1.00 0.00 O ATOM 65 CB GLU A 21 3.915 0.781 -14.953 1.00 0.00 C ATOM 66 CG GLU A 21 3.143 -0.195 -15.843 1.00 0.00 C ATOM 67 CD GLU A 21 2.691 0.527 -17.113 1.00 0.00 C ATOM 68 OE1 GLU A 21 3.510 0.601 -18.014 1.00 0.00 O ATOM 69 OE2 GLU A 21 1.552 0.965 -17.112 1.00 0.00 O ATOM 0 H GLU A 21 3.117 -1.345 -13.637 1.00 0.00 H new ATOM 0 HA GLU A 21 5.779 -0.142 -14.301 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.222 1.439 -14.429 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.558 1.416 -15.562 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.773 -1.047 -16.100 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.279 -0.588 -15.307 1.00 0.00 H new ATOM 76 N TRP A 22 3.644 0.884 -12.015 1.00 0.00 N ATOM 77 CA TRP A 22 3.579 1.616 -10.722 1.00 0.00 C ATOM 78 C TRP A 22 4.517 0.977 -9.713 1.00 0.00 C ATOM 79 O TRP A 22 5.044 1.631 -8.836 1.00 0.00 O ATOM 80 CB TRP A 22 2.139 1.546 -10.196 1.00 0.00 C ATOM 81 CG TRP A 22 1.227 1.071 -11.330 1.00 0.00 C ATOM 82 CD1 TRP A 22 0.710 1.877 -12.235 1.00 0.00 C ATOM 83 CD2 TRP A 22 0.924 -0.182 -11.587 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.069 1.051 -13.076 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.159 -0.278 -12.735 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.260 -1.332 -10.902 1.00 0.00 C ATOM 87 CZ2 TRP A 22 -0.254 -1.505 -13.187 1.00 0.00 C ATOM 88 CZ3 TRP A 22 0.842 -2.551 -11.361 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.091 -2.637 -12.501 1.00 0.00 C ATOM 0 H TRP A 22 2.755 0.516 -12.355 1.00 0.00 H new ATOM 0 HA TRP A 22 3.879 2.653 -10.871 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.078 0.862 -9.350 1.00 0.00 H new ATOM 0 HB3 TRP A 22 1.819 2.525 -9.838 1.00 0.00 H new ATOM 0 HD1 TRP A 22 0.785 2.953 -12.288 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.440 1.380 -13.896 1.00 0.00 H new ATOM 0 HE3 TRP A 22 1.854 -1.269 -10.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.851 -1.578 -14.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.106 -3.449 -10.821 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.231 -3.603 -12.861 1.00 0.00 H new ATOM 100 N TYR A 23 4.703 -0.298 -9.868 1.00 0.00 N ATOM 101 CA TYR A 23 5.600 -1.039 -8.948 1.00 0.00 C ATOM 102 C TYR A 23 6.967 -1.207 -9.597 1.00 0.00 C ATOM 103 O TYR A 23 7.064 -1.606 -10.741 1.00 0.00 O ATOM 104 CB TYR A 23 4.980 -2.432 -8.687 1.00 0.00 C ATOM 105 CG TYR A 23 3.481 -2.306 -8.294 1.00 0.00 C ATOM 106 CD1 TYR A 23 2.964 -1.154 -7.686 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.614 -3.349 -8.557 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.625 -1.073 -7.367 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.275 -3.255 -8.229 1.00 0.00 C ATOM 110 CZ TYR A 23 0.774 -2.120 -7.634 1.00 0.00 C ATOM 111 OH TYR A 23 -0.566 -2.034 -7.311 1.00 0.00 O ATOM 0 H TYR A 23 4.269 -0.863 -10.598 1.00 0.00 H new ATOM 0 HA TYR A 23 5.715 -0.493 -8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.076 -3.050 -9.580 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.528 -2.935 -7.890 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.619 -0.324 -7.466 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.987 -4.248 -9.024 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.240 -0.177 -6.902 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.614 -4.082 -8.442 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.798 -1.100 -7.125 1.00 0.00 H new ATOM 121 N TRP A 24 8.004 -0.901 -8.861 1.00 0.00 N ATOM 122 CA TRP A 24 9.363 -1.040 -9.441 1.00 0.00 C ATOM 123 C TRP A 24 9.904 -2.432 -9.203 1.00 0.00 C ATOM 124 O TRP A 24 10.838 -2.858 -9.855 1.00 0.00 O ATOM 125 CB TRP A 24 10.318 -0.033 -8.761 1.00 0.00 C ATOM 126 CG TRP A 24 9.655 1.350 -8.597 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.469 1.713 -9.090 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.185 2.320 -7.910 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.321 2.970 -8.637 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.371 3.428 -7.883 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.398 2.345 -7.270 1.00 0.00 C ATOM 132 CZ2 TRP A 24 9.766 4.557 -7.216 1.00 0.00 C ATOM 133 CZ3 TRP A 24 11.796 3.478 -6.601 1.00 0.00 C ATOM 134 CH2 TRP A 24 10.979 4.584 -6.573 1.00 0.00 C ATOM 0 H TRP A 24 7.966 -0.566 -7.898 1.00 0.00 H new ATOM 0 HA TRP A 24 9.298 -0.850 -10.512 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.615 -0.414 -7.784 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.227 0.066 -9.354 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.793 1.137 -9.704 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.496 3.536 -8.837 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.039 1.476 -7.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.124 5.425 -7.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 12.751 3.500 -6.097 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.291 5.473 -6.046 1.00 0.00 H new ATOM 145 N GLY A 25 9.304 -3.116 -8.272 1.00 0.00 N ATOM 146 CA GLY A 25 9.756 -4.501 -7.955 1.00 0.00 C ATOM 147 C GLY A 25 10.122 -4.617 -6.483 1.00 0.00 C ATOM 148 O GLY A 25 11.262 -4.838 -6.141 1.00 0.00 O ATOM 0 H GLY A 25 8.519 -2.777 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.966 -5.212 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.617 -4.759 -8.572 1.00 0.00 H new ATOM 152 N ASP A 26 9.133 -4.473 -5.653 1.00 0.00 N ATOM 153 CA ASP A 26 9.353 -4.565 -4.188 1.00 0.00 C ATOM 154 C ASP A 26 10.682 -3.937 -3.757 1.00 0.00 C ATOM 155 O ASP A 26 11.729 -4.545 -3.888 1.00 0.00 O ATOM 156 CB ASP A 26 9.358 -6.052 -3.817 1.00 0.00 C ATOM 157 CG ASP A 26 9.113 -6.890 -5.078 1.00 0.00 C ATOM 158 OD1 ASP A 26 8.031 -6.744 -5.623 1.00 0.00 O ATOM 159 OD2 ASP A 26 10.024 -7.624 -5.426 1.00 0.00 O ATOM 0 H ASP A 26 8.168 -4.293 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 26 8.560 -4.018 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.313 -6.323 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.586 -6.256 -3.075 1.00 0.00 H new ATOM 164 N ILE A 27 10.610 -2.729 -3.226 1.00 0.00 N ATOM 165 CA ILE A 27 11.868 -2.046 -2.776 1.00 0.00 C ATOM 166 C ILE A 27 11.857 -1.854 -1.260 1.00 0.00 C ATOM 167 O ILE A 27 11.942 -2.809 -0.512 1.00 0.00 O ATOM 168 CB ILE A 27 11.991 -0.664 -3.459 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.657 0.126 -3.372 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.418 -0.869 -4.939 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.744 -0.132 -4.585 1.00 0.00 C ATOM 0 H ILE A 27 9.749 -2.199 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 27 12.717 -2.671 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 27 12.748 -0.075 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.131 -0.153 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.873 1.192 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.507 0.100 -5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.379 -1.383 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.668 -1.469 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.824 0.443 -4.477 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.257 0.172 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.504 -1.194 -4.640 1.00 0.00 H new ATOM 183 N SER A 28 11.759 -0.630 -0.834 1.00 0.00 N ATOM 184 CA SER A 28 11.741 -0.361 0.620 1.00 0.00 C ATOM 185 C SER A 28 11.522 1.122 0.887 1.00 0.00 C ATOM 186 O SER A 28 11.738 1.947 0.023 1.00 0.00 O ATOM 187 CB SER A 28 13.099 -0.777 1.209 1.00 0.00 C ATOM 188 OG SER A 28 13.199 -0.027 2.412 1.00 0.00 O ATOM 0 H SER A 28 11.691 0.194 -1.432 1.00 0.00 H new ATOM 0 HA SER A 28 10.929 -0.925 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.138 -1.849 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.917 -0.547 0.526 1.00 0.00 H new ATOM 0 HG SER A 28 13.962 -0.349 2.936 1.00 0.00 H new ATOM 194 N ARG A 29 11.091 1.434 2.080 1.00 0.00 N ATOM 195 CA ARG A 29 10.853 2.856 2.423 1.00 0.00 C ATOM 196 C ARG A 29 11.982 3.715 1.929 1.00 0.00 C ATOM 197 O ARG A 29 11.795 4.853 1.561 1.00 0.00 O ATOM 198 CB ARG A 29 10.784 2.968 3.932 1.00 0.00 C ATOM 199 CG ARG A 29 9.637 2.108 4.438 1.00 0.00 C ATOM 200 CD ARG A 29 9.731 2.008 5.948 1.00 0.00 C ATOM 201 NE ARG A 29 8.449 1.473 6.483 1.00 0.00 N ATOM 202 CZ ARG A 29 8.386 1.091 7.728 1.00 0.00 C ATOM 203 NH1 ARG A 29 9.013 0.003 8.086 1.00 0.00 N ATOM 204 NH2 ARG A 29 7.700 1.809 8.575 1.00 0.00 N ATOM 0 H ARG A 29 10.896 0.766 2.825 1.00 0.00 H new ATOM 0 HA ARG A 29 9.927 3.191 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.724 2.643 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.635 4.007 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.681 2.544 4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.683 1.115 3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.557 1.356 6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.937 2.988 6.377 1.00 0.00 H new ATOM 0 HE ARG A 29 7.628 1.406 5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.540 -0.532 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.975 -0.312 9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.224 2.654 8.259 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.640 1.525 9.553 1.00 0.00 H new ATOM 218 N GLU A 30 13.133 3.151 1.923 1.00 0.00 N ATOM 219 CA GLU A 30 14.307 3.911 1.458 1.00 0.00 C ATOM 220 C GLU A 30 14.084 4.485 0.067 1.00 0.00 C ATOM 221 O GLU A 30 14.062 5.680 -0.103 1.00 0.00 O ATOM 222 CB GLU A 30 15.515 2.967 1.414 1.00 0.00 C ATOM 223 CG GLU A 30 15.757 2.401 2.811 1.00 0.00 C ATOM 224 CD GLU A 30 17.224 1.980 2.939 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.492 0.842 2.589 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.991 2.820 3.377 1.00 0.00 O ATOM 0 H GLU A 30 13.319 2.193 2.220 1.00 0.00 H new ATOM 0 HA GLU A 30 14.478 4.738 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.334 2.158 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.399 3.503 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.514 3.149 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.104 1.546 2.988 1.00 0.00 H new ATOM 233 N GLU A 31 13.907 3.626 -0.905 1.00 0.00 N ATOM 234 CA GLU A 31 13.689 4.130 -2.281 1.00 0.00 C ATOM 235 C GLU A 31 12.310 4.774 -2.406 1.00 0.00 C ATOM 236 O GLU A 31 12.185 5.893 -2.869 1.00 0.00 O ATOM 237 CB GLU A 31 13.795 2.946 -3.254 1.00 0.00 C ATOM 238 CG GLU A 31 14.893 1.993 -2.771 1.00 0.00 C ATOM 239 CD GLU A 31 15.183 0.957 -3.862 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.283 1.383 -5.000 1.00 0.00 O ATOM 241 OE2 GLU A 31 15.290 -0.200 -3.492 1.00 0.00 O ATOM 0 H GLU A 31 13.905 2.611 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 31 14.441 4.884 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.841 2.421 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.024 3.304 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.798 2.553 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.579 1.494 -1.854 1.00 0.00 H new ATOM 248 N VAL A 32 11.300 4.058 -1.991 1.00 0.00 N ATOM 249 CA VAL A 32 9.921 4.613 -2.074 1.00 0.00 C ATOM 250 C VAL A 32 9.911 6.056 -1.585 1.00 0.00 C ATOM 251 O VAL A 32 9.562 6.966 -2.310 1.00 0.00 O ATOM 252 CB VAL A 32 9.022 3.771 -1.136 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.840 4.628 -0.632 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.484 2.540 -1.889 1.00 0.00 C ATOM 0 H VAL A 32 11.370 3.118 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 32 9.566 4.581 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 32 9.614 3.439 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.212 4.029 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.223 5.490 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.250 4.971 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.853 1.953 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.899 2.866 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.319 1.928 -2.230 1.00 0.00 H new ATOM 264 N ASN A 33 10.298 6.225 -0.356 1.00 0.00 N ATOM 265 CA ASN A 33 10.329 7.589 0.236 1.00 0.00 C ATOM 266 C ASN A 33 11.233 8.557 -0.537 1.00 0.00 C ATOM 267 O ASN A 33 10.758 9.490 -1.153 1.00 0.00 O ATOM 268 CB ASN A 33 10.877 7.464 1.667 1.00 0.00 C ATOM 269 CG ASN A 33 10.568 8.746 2.440 1.00 0.00 C ATOM 270 OD1 ASN A 33 9.493 8.916 2.980 1.00 0.00 O ATOM 271 ND2 ASN A 33 11.481 9.674 2.517 1.00 0.00 N ATOM 0 H ASN A 33 10.596 5.475 0.268 1.00 0.00 H new ATOM 0 HA ASN A 33 9.316 7.991 0.205 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.427 6.607 2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.953 7.291 1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.290 10.536 3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.386 9.538 2.066 1.00 0.00 H new ATOM 278 N GLU A 34 12.518 8.315 -0.476 1.00 0.00 N ATOM 279 CA GLU A 34 13.487 9.207 -1.193 1.00 0.00 C ATOM 280 C GLU A 34 12.961 9.725 -2.521 1.00 0.00 C ATOM 281 O GLU A 34 13.383 10.773 -2.971 1.00 0.00 O ATOM 282 CB GLU A 34 14.784 8.429 -1.461 1.00 0.00 C ATOM 283 CG GLU A 34 15.747 8.643 -0.290 1.00 0.00 C ATOM 284 CD GLU A 34 17.043 7.873 -0.550 1.00 0.00 C ATOM 285 OE1 GLU A 34 16.958 6.905 -1.287 1.00 0.00 O ATOM 286 OE2 GLU A 34 18.045 8.295 0.004 1.00 0.00 O ATOM 0 H GLU A 34 12.940 7.541 0.037 1.00 0.00 H new ATOM 0 HA GLU A 34 13.655 10.069 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.568 7.367 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.241 8.768 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.960 9.705 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.289 8.303 0.639 1.00 0.00 H new ATOM 293 N LYS A 35 12.058 9.008 -3.129 1.00 0.00 N ATOM 294 CA LYS A 35 11.529 9.488 -4.427 1.00 0.00 C ATOM 295 C LYS A 35 10.226 10.233 -4.257 1.00 0.00 C ATOM 296 O LYS A 35 10.019 11.265 -4.852 1.00 0.00 O ATOM 297 CB LYS A 35 11.304 8.287 -5.325 1.00 0.00 C ATOM 298 CG LYS A 35 12.418 8.254 -6.388 1.00 0.00 C ATOM 299 CD LYS A 35 12.249 9.415 -7.388 1.00 0.00 C ATOM 300 CE LYS A 35 12.703 8.949 -8.771 1.00 0.00 C ATOM 301 NZ LYS A 35 14.028 8.272 -8.682 1.00 0.00 N ATOM 0 H LYS A 35 11.672 8.127 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 35 12.252 10.176 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.314 7.369 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.326 8.350 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.392 8.323 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.393 7.303 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.208 9.735 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.837 10.276 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.966 8.265 -9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.768 9.802 -9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.529 8.368 -9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.592 8.711 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.889 7.264 -8.469 1.00 0.00 H new ATOM 315 N LEU A 36 9.382 9.710 -3.440 1.00 0.00 N ATOM 316 CA LEU A 36 8.077 10.379 -3.217 1.00 0.00 C ATOM 317 C LEU A 36 8.247 11.743 -2.557 1.00 0.00 C ATOM 318 O LEU A 36 7.302 12.494 -2.430 1.00 0.00 O ATOM 319 CB LEU A 36 7.232 9.487 -2.303 1.00 0.00 C ATOM 320 CG LEU A 36 6.140 8.808 -3.136 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.779 7.905 -4.197 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.260 7.952 -2.220 1.00 0.00 C ATOM 0 H LEU A 36 9.530 8.849 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 36 7.595 10.532 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.861 8.737 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.783 10.082 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 36 5.537 9.574 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.997 7.425 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.410 8.505 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.385 7.142 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.482 7.468 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.872 7.192 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.799 8.586 -1.463 1.00 0.00 H new ATOM 334 N ARG A 37 9.444 12.042 -2.152 1.00 0.00 N ATOM 335 CA ARG A 37 9.684 13.353 -1.501 1.00 0.00 C ATOM 336 C ARG A 37 9.556 14.492 -2.495 1.00 0.00 C ATOM 337 O ARG A 37 8.531 15.137 -2.582 1.00 0.00 O ATOM 338 CB ARG A 37 11.111 13.362 -0.943 1.00 0.00 C ATOM 339 CG ARG A 37 11.183 12.537 0.359 1.00 0.00 C ATOM 340 CD ARG A 37 12.275 13.117 1.263 1.00 0.00 C ATOM 341 NE ARG A 37 12.259 12.394 2.566 1.00 0.00 N ATOM 342 CZ ARG A 37 12.309 13.076 3.681 1.00 0.00 C ATOM 343 NH1 ARG A 37 13.313 13.884 3.880 1.00 0.00 N ATOM 344 NH2 ARG A 37 11.351 12.927 4.556 1.00 0.00 N ATOM 0 H ARG A 37 10.262 11.440 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 37 8.944 13.490 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.800 12.950 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.427 14.387 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.221 12.559 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.399 11.493 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.251 13.015 0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.107 14.182 1.421 1.00 0.00 H new ATOM 0 HE ARG A 37 12.209 11.375 2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.042 13.976 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.369 14.424 4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.580 12.287 4.364 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.374 13.451 5.431 1.00 0.00 H new ATOM 358 N ASP A 38 10.609 14.725 -3.209 1.00 0.00 N ATOM 359 CA ASP A 38 10.595 15.821 -4.216 1.00 0.00 C ATOM 360 C ASP A 38 9.753 15.450 -5.438 1.00 0.00 C ATOM 361 O ASP A 38 10.140 15.723 -6.558 1.00 0.00 O ATOM 362 CB ASP A 38 12.041 16.063 -4.673 1.00 0.00 C ATOM 363 CG ASP A 38 12.153 17.463 -5.277 1.00 0.00 C ATOM 364 OD1 ASP A 38 11.259 17.798 -6.035 1.00 0.00 O ATOM 365 OD2 ASP A 38 13.126 18.119 -4.945 1.00 0.00 O ATOM 0 H ASP A 38 11.484 14.206 -3.143 1.00 0.00 H new ATOM 0 HA ASP A 38 10.161 16.711 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.723 15.963 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.332 15.313 -5.408 1.00 0.00 H new ATOM 370 N THR A 39 8.616 14.837 -5.195 1.00 0.00 N ATOM 371 CA THR A 39 7.725 14.436 -6.325 1.00 0.00 C ATOM 372 C THR A 39 6.377 15.160 -6.238 1.00 0.00 C ATOM 373 O THR A 39 6.129 15.908 -5.314 1.00 0.00 O ATOM 374 CB THR A 39 7.495 12.918 -6.230 1.00 0.00 C ATOM 375 OG1 THR A 39 8.756 12.345 -6.483 1.00 0.00 O ATOM 376 CG2 THR A 39 6.618 12.404 -7.383 1.00 0.00 C ATOM 0 H THR A 39 8.271 14.599 -4.265 1.00 0.00 H new ATOM 0 HA THR A 39 8.193 14.702 -7.272 1.00 0.00 H new ATOM 0 HB THR A 39 7.036 12.680 -5.270 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.190 12.120 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.478 11.328 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.648 12.901 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.105 12.618 -8.334 1.00 0.00 H new ATOM 384 N ALA A 40 5.539 14.922 -7.213 1.00 0.00 N ATOM 385 CA ALA A 40 4.202 15.576 -7.226 1.00 0.00 C ATOM 386 C ALA A 40 3.475 15.426 -5.888 1.00 0.00 C ATOM 387 O ALA A 40 4.022 14.927 -4.925 1.00 0.00 O ATOM 388 CB ALA A 40 3.355 14.907 -8.320 1.00 0.00 C ATOM 0 H ALA A 40 5.725 14.302 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 40 4.342 16.641 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.368 15.369 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.844 15.032 -9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.251 13.844 -8.101 1.00 0.00 H new ATOM 394 N ASP A 41 2.234 15.859 -5.875 1.00 0.00 N ATOM 395 CA ASP A 41 1.418 15.772 -4.636 1.00 0.00 C ATOM 396 C ASP A 41 0.313 14.733 -4.799 1.00 0.00 C ATOM 397 O ASP A 41 -0.857 15.055 -4.813 1.00 0.00 O ATOM 398 CB ASP A 41 0.773 17.147 -4.403 1.00 0.00 C ATOM 399 CG ASP A 41 0.220 17.215 -2.984 1.00 0.00 C ATOM 400 OD1 ASP A 41 -0.920 16.810 -2.827 1.00 0.00 O ATOM 401 OD2 ASP A 41 0.968 17.667 -2.132 1.00 0.00 O ATOM 0 H ASP A 41 1.756 16.270 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 41 2.051 15.482 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.509 17.936 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.027 17.312 -5.125 1.00 0.00 H new ATOM 406 N GLY A 42 0.716 13.503 -4.917 1.00 0.00 N ATOM 407 CA GLY A 42 -0.278 12.404 -5.084 1.00 0.00 C ATOM 408 C GLY A 42 0.357 11.289 -5.905 1.00 0.00 C ATOM 409 O GLY A 42 0.089 11.159 -7.083 1.00 0.00 O ATOM 0 H GLY A 42 1.692 13.207 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.589 12.026 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.173 12.777 -5.582 1.00 0.00 H new ATOM 413 N THR A 43 1.189 10.505 -5.260 1.00 0.00 N ATOM 414 CA THR A 43 1.865 9.385 -5.986 1.00 0.00 C ATOM 415 C THR A 43 1.467 8.022 -5.433 1.00 0.00 C ATOM 416 O THR A 43 0.797 7.937 -4.431 1.00 0.00 O ATOM 417 CB THR A 43 3.353 9.561 -5.770 1.00 0.00 C ATOM 418 OG1 THR A 43 3.553 10.959 -5.660 1.00 0.00 O ATOM 419 CG2 THR A 43 4.131 9.151 -7.015 1.00 0.00 C ATOM 0 H THR A 43 1.427 10.591 -4.272 1.00 0.00 H new ATOM 0 HA THR A 43 1.579 9.416 -7.037 1.00 0.00 H new ATOM 0 HB THR A 43 3.676 8.974 -4.910 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.505 11.143 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.198 9.285 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.930 8.104 -7.241 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.822 9.770 -7.857 1.00 0.00 H new ATOM 427 N PHE A 44 1.898 6.964 -6.105 1.00 0.00 N ATOM 428 CA PHE A 44 1.542 5.606 -5.611 1.00 0.00 C ATOM 429 C PHE A 44 2.420 4.502 -6.210 1.00 0.00 C ATOM 430 O PHE A 44 2.567 4.392 -7.411 1.00 0.00 O ATOM 431 CB PHE A 44 0.067 5.325 -5.949 1.00 0.00 C ATOM 432 CG PHE A 44 -0.138 5.198 -7.470 1.00 0.00 C ATOM 433 CD1 PHE A 44 -0.024 6.303 -8.300 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.528 3.990 -8.022 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.308 6.192 -9.650 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.808 3.892 -9.366 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.698 4.984 -10.175 1.00 0.00 C ATOM 0 H PHE A 44 2.466 6.993 -6.952 1.00 0.00 H new ATOM 0 HA PHE A 44 1.709 5.595 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.253 4.406 -5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.558 6.129 -5.560 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.287 7.253 -7.892 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.613 3.117 -7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.223 7.056 -10.292 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.117 2.944 -9.782 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.918 4.899 -11.229 1.00 0.00 H new ATOM 447 N LEU A 45 2.987 3.699 -5.327 1.00 0.00 N ATOM 448 CA LEU A 45 3.863 2.582 -5.774 1.00 0.00 C ATOM 449 C LEU A 45 3.746 1.402 -4.800 1.00 0.00 C ATOM 450 O LEU A 45 2.922 1.427 -3.905 1.00 0.00 O ATOM 451 CB LEU A 45 5.340 3.053 -5.839 1.00 0.00 C ATOM 452 CG LEU A 45 5.622 4.131 -4.784 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.249 3.616 -3.400 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.118 4.442 -4.795 1.00 0.00 C ATOM 0 H LEU A 45 2.873 3.779 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 45 3.544 2.265 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.004 2.203 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.556 3.446 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 45 5.036 5.022 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.453 4.388 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.189 3.363 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.838 2.728 -3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.336 5.207 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.679 3.537 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.407 4.803 -5.782 1.00 0.00 H new ATOM 466 N VAL A 46 4.575 0.394 -4.985 1.00 0.00 N ATOM 467 CA VAL A 46 4.514 -0.796 -4.069 1.00 0.00 C ATOM 468 C VAL A 46 5.707 -0.833 -3.106 1.00 0.00 C ATOM 469 O VAL A 46 6.765 -0.309 -3.386 1.00 0.00 O ATOM 470 CB VAL A 46 4.510 -2.090 -4.959 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.465 -3.167 -4.395 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.095 -2.683 -4.998 1.00 0.00 C ATOM 0 H VAL A 46 5.281 0.344 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 46 3.611 -0.734 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 46 4.842 -1.805 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.438 -4.049 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.481 -2.773 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.151 -3.440 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.094 -3.581 -5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.779 -2.938 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.405 -1.952 -5.419 1.00 0.00 H new ATOM 482 N ARG A 47 5.482 -1.460 -1.981 1.00 0.00 N ATOM 483 CA ARG A 47 6.533 -1.584 -0.950 1.00 0.00 C ATOM 484 C ARG A 47 6.616 -3.046 -0.509 1.00 0.00 C ATOM 485 O ARG A 47 5.675 -3.581 0.049 1.00 0.00 O ATOM 486 CB ARG A 47 6.141 -0.712 0.256 1.00 0.00 C ATOM 487 CG ARG A 47 7.403 -0.326 1.039 1.00 0.00 C ATOM 488 CD ARG A 47 8.067 -1.586 1.593 1.00 0.00 C ATOM 489 NE ARG A 47 8.880 -1.217 2.786 1.00 0.00 N ATOM 490 CZ ARG A 47 9.659 -2.112 3.331 1.00 0.00 C ATOM 491 NH1 ARG A 47 9.118 -3.143 3.920 1.00 0.00 N ATOM 492 NH2 ARG A 47 10.952 -1.944 3.271 1.00 0.00 N ATOM 0 H ARG A 47 4.593 -1.897 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 47 7.496 -1.261 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.622 0.184 -0.083 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.451 -1.255 0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.097 0.208 0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.145 0.350 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.311 -2.322 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.699 -2.044 0.833 1.00 0.00 H new ATOM 0 HE ARG A 47 8.828 -0.275 3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.103 -3.239 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.710 -3.853 4.351 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.339 -1.124 2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.576 -2.633 3.691 1.00 0.00 H new ATOM 506 N ASP A 48 7.730 -3.672 -0.779 1.00 0.00 N ATOM 507 CA ASP A 48 7.891 -5.103 -0.386 1.00 0.00 C ATOM 508 C ASP A 48 7.369 -5.382 1.010 1.00 0.00 C ATOM 509 O ASP A 48 7.724 -4.713 1.959 1.00 0.00 O ATOM 510 CB ASP A 48 9.370 -5.455 -0.436 1.00 0.00 C ATOM 511 CG ASP A 48 9.536 -6.963 -0.223 1.00 0.00 C ATOM 512 OD1 ASP A 48 8.959 -7.442 0.741 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.229 -7.551 -1.036 1.00 0.00 O ATOM 0 H ASP A 48 8.533 -3.257 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 48 7.311 -5.709 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.793 -5.162 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.913 -4.905 0.332 1.00 0.00 H new ATOM 518 N ALA A 49 6.527 -6.391 1.099 1.00 0.00 N ATOM 519 CA ALA A 49 5.945 -6.770 2.412 1.00 0.00 C ATOM 520 C ALA A 49 6.310 -8.208 2.775 1.00 0.00 C ATOM 521 O ALA A 49 5.990 -9.131 2.053 1.00 0.00 O ATOM 522 CB ALA A 49 4.420 -6.672 2.302 1.00 0.00 C ATOM 0 H ALA A 49 6.223 -6.963 0.311 1.00 0.00 H new ATOM 0 HA ALA A 49 6.335 -6.103 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.968 -6.946 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.138 -5.650 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.067 -7.350 1.525 1.00 0.00 H new ATOM 528 N SER A 50 6.976 -8.373 3.888 1.00 0.00 N ATOM 529 CA SER A 50 7.367 -9.744 4.307 1.00 0.00 C ATOM 530 C SER A 50 7.592 -9.807 5.814 1.00 0.00 C ATOM 531 O SER A 50 8.703 -9.988 6.271 1.00 0.00 O ATOM 532 CB SER A 50 8.674 -10.123 3.594 1.00 0.00 C ATOM 533 OG SER A 50 8.935 -11.451 4.030 1.00 0.00 O ATOM 0 H SER A 50 7.262 -7.623 4.517 1.00 0.00 H new ATOM 0 HA SER A 50 6.566 -10.435 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.566 -10.073 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.486 -9.448 3.865 1.00 0.00 H new ATOM 0 HG SER A 50 9.258 -11.434 4.955 1.00 0.00 H new ATOM 539 N THR A 51 6.531 -9.655 6.560 1.00 0.00 N ATOM 540 CA THR A 51 6.664 -9.703 8.037 1.00 0.00 C ATOM 541 C THR A 51 7.005 -11.107 8.501 1.00 0.00 C ATOM 542 O THR A 51 7.853 -11.295 9.351 1.00 0.00 O ATOM 543 CB THR A 51 5.324 -9.293 8.656 1.00 0.00 C ATOM 544 OG1 THR A 51 4.347 -10.025 7.946 1.00 0.00 O ATOM 545 CG2 THR A 51 5.003 -7.823 8.349 1.00 0.00 C ATOM 0 H THR A 51 5.585 -9.501 6.210 1.00 0.00 H new ATOM 0 HA THR A 51 7.462 -9.028 8.345 1.00 0.00 H new ATOM 0 HB THR A 51 5.349 -9.460 9.733 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.458 -9.809 8.296 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.047 -7.558 8.800 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.787 -7.186 8.759 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.947 -7.680 7.270 1.00 0.00 H new ATOM 553 N LYS A 52 6.331 -12.061 7.927 1.00 0.00 N ATOM 554 CA LYS A 52 6.577 -13.483 8.300 1.00 0.00 C ATOM 555 C LYS A 52 6.928 -14.309 7.067 1.00 0.00 C ATOM 556 O LYS A 52 8.040 -14.778 6.931 1.00 0.00 O ATOM 557 CB LYS A 52 5.287 -14.043 8.929 1.00 0.00 C ATOM 558 CG LYS A 52 4.634 -12.949 9.777 1.00 0.00 C ATOM 559 CD LYS A 52 3.708 -13.594 10.811 1.00 0.00 C ATOM 560 CE LYS A 52 2.605 -12.599 11.178 1.00 0.00 C ATOM 561 NZ LYS A 52 1.959 -12.982 12.465 1.00 0.00 N ATOM 0 H LYS A 52 5.617 -11.919 7.213 1.00 0.00 H new ATOM 0 HA LYS A 52 7.410 -13.536 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.601 -14.376 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.515 -14.912 9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.399 -12.356 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.069 -12.268 9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.272 -14.508 10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.273 -13.875 11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.025 -11.596 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.858 -12.568 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.213 -12.295 12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.541 -13.930 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.672 -12.989 13.223 1.00 0.00 H new ATOM 575 N MET A 53 5.975 -14.469 6.189 1.00 0.00 N ATOM 576 CA MET A 53 6.237 -15.262 4.961 1.00 0.00 C ATOM 577 C MET A 53 5.039 -15.217 4.026 1.00 0.00 C ATOM 578 O MET A 53 5.175 -15.389 2.833 1.00 0.00 O ATOM 579 CB MET A 53 6.496 -16.722 5.368 1.00 0.00 C ATOM 580 CG MET A 53 6.529 -17.597 4.112 1.00 0.00 C ATOM 581 SD MET A 53 7.440 -16.965 2.681 1.00 0.00 S ATOM 582 CE MET A 53 6.389 -17.699 1.401 1.00 0.00 C ATOM 0 H MET A 53 5.033 -14.086 6.271 1.00 0.00 H new ATOM 0 HA MET A 53 7.100 -14.843 4.444 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.441 -16.800 5.905 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.715 -17.067 6.046 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.957 -18.562 4.385 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.500 -17.781 3.802 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.484 -17.125 0.479 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.699 -18.728 1.221 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.350 -17.686 1.731 1.00 0.00 H new ATOM 592 N HIS A 54 3.891 -14.980 4.589 1.00 0.00 N ATOM 593 CA HIS A 54 2.660 -14.918 3.757 1.00 0.00 C ATOM 594 C HIS A 54 2.286 -13.471 3.464 1.00 0.00 C ATOM 595 O HIS A 54 1.129 -13.104 3.528 1.00 0.00 O ATOM 596 CB HIS A 54 1.508 -15.569 4.536 1.00 0.00 C ATOM 597 CG HIS A 54 1.915 -16.980 4.966 1.00 0.00 C ATOM 598 ND1 HIS A 54 2.750 -17.241 5.857 1.00 0.00 N ATOM 599 CD2 HIS A 54 1.475 -18.204 4.504 1.00 0.00 C ATOM 600 CE1 HIS A 54 2.887 -18.490 6.013 1.00 0.00 C ATOM 601 NE2 HIS A 54 2.110 -19.194 5.189 1.00 0.00 N ATOM 0 H HIS A 54 3.751 -14.827 5.588 1.00 0.00 H new ATOM 0 HA HIS A 54 2.841 -15.439 2.817 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.261 -14.968 5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.613 -15.611 3.915 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.744 -18.352 3.723 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.558 -18.935 6.733 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.016 -20.205 5.097 1.00 0.00 H new ATOM 609 N GLY A 55 3.279 -12.677 3.149 1.00 0.00 N ATOM 610 CA GLY A 55 3.015 -11.238 2.843 1.00 0.00 C ATOM 611 C GLY A 55 3.460 -10.911 1.419 1.00 0.00 C ATOM 612 O GLY A 55 4.574 -11.199 1.032 1.00 0.00 O ATOM 0 H GLY A 55 4.257 -12.962 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.953 -11.023 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.547 -10.604 3.553 1.00 0.00 H new ATOM 616 N ASP A 56 2.579 -10.314 0.667 1.00 0.00 N ATOM 617 CA ASP A 56 2.934 -9.964 -0.727 1.00 0.00 C ATOM 618 C ASP A 56 3.593 -8.586 -0.797 1.00 0.00 C ATOM 619 O ASP A 56 4.802 -8.483 -0.876 1.00 0.00 O ATOM 620 CB ASP A 56 1.646 -9.967 -1.561 1.00 0.00 C ATOM 621 CG ASP A 56 1.678 -11.141 -2.539 1.00 0.00 C ATOM 622 OD1 ASP A 56 1.902 -12.240 -2.057 1.00 0.00 O ATOM 623 OD2 ASP A 56 1.478 -10.875 -3.713 1.00 0.00 O ATOM 0 H ASP A 56 1.636 -10.056 0.958 1.00 0.00 H new ATOM 0 HA ASP A 56 3.646 -10.692 -1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.777 -10.047 -0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.550 -9.028 -2.106 1.00 0.00 H new ATOM 628 N TYR A 57 2.789 -7.549 -0.771 1.00 0.00 N ATOM 629 CA TYR A 57 3.351 -6.189 -0.835 1.00 0.00 C ATOM 630 C TYR A 57 2.587 -5.239 0.060 1.00 0.00 C ATOM 631 O TYR A 57 1.814 -5.649 0.902 1.00 0.00 O ATOM 632 CB TYR A 57 3.244 -5.720 -2.281 1.00 0.00 C ATOM 633 CG TYR A 57 3.969 -6.740 -3.140 1.00 0.00 C ATOM 634 CD1 TYR A 57 5.336 -6.786 -3.154 1.00 0.00 C ATOM 635 CD2 TYR A 57 3.267 -7.701 -3.806 1.00 0.00 C ATOM 636 CE1 TYR A 57 5.995 -7.793 -3.813 1.00 0.00 C ATOM 637 CE2 TYR A 57 3.920 -8.710 -4.468 1.00 0.00 C ATOM 638 CZ TYR A 57 5.291 -8.765 -4.479 1.00 0.00 C ATOM 639 OH TYR A 57 5.948 -9.781 -5.140 1.00 0.00 O ATOM 0 H TYR A 57 1.772 -7.599 -0.708 1.00 0.00 H new ATOM 0 HA TYR A 57 4.387 -6.203 -0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.200 -5.637 -2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.689 -4.732 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.902 -6.022 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.188 -7.668 -3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.075 -7.821 -3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.350 -9.468 -4.985 1.00 0.00 H new ATOM 0 HH TYR A 57 5.292 -10.380 -5.554 1.00 0.00 H new ATOM 649 N THR A 58 2.821 -3.991 -0.142 1.00 0.00 N ATOM 650 CA THR A 58 2.143 -2.978 0.667 1.00 0.00 C ATOM 651 C THR A 58 1.959 -1.713 -0.152 1.00 0.00 C ATOM 652 O THR A 58 2.914 -1.030 -0.470 1.00 0.00 O ATOM 653 CB THR A 58 3.034 -2.697 1.866 1.00 0.00 C ATOM 654 OG1 THR A 58 2.520 -3.505 2.903 1.00 0.00 O ATOM 655 CG2 THR A 58 2.855 -1.270 2.374 1.00 0.00 C ATOM 0 H THR A 58 3.464 -3.626 -0.845 1.00 0.00 H new ATOM 0 HA THR A 58 1.160 -3.323 0.988 1.00 0.00 H new ATOM 0 HB THR A 58 4.075 -2.871 1.594 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.127 -4.317 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.507 -1.105 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.112 -0.567 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.818 -1.117 2.672 1.00 0.00 H new ATOM 663 N LEU A 59 0.738 -1.432 -0.503 1.00 0.00 N ATOM 664 CA LEU A 59 0.484 -0.216 -1.303 1.00 0.00 C ATOM 665 C LEU A 59 0.773 1.034 -0.487 1.00 0.00 C ATOM 666 O LEU A 59 0.288 1.181 0.617 1.00 0.00 O ATOM 667 CB LEU A 59 -1.001 -0.200 -1.723 1.00 0.00 C ATOM 668 CG LEU A 59 -1.127 -0.542 -3.216 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.736 -2.007 -3.444 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.585 -0.347 -3.656 1.00 0.00 C ATOM 0 H LEU A 59 -0.085 -1.988 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 59 1.135 -0.226 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.564 -0.919 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.432 0.782 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.469 0.109 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.826 -2.247 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.294 -2.163 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.397 -2.654 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.681 -0.588 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.232 -1.004 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.879 0.690 -3.492 1.00 0.00 H new ATOM 682 N THR A 60 1.565 1.907 -1.053 1.00 0.00 N ATOM 683 CA THR A 60 1.913 3.169 -0.341 1.00 0.00 C ATOM 684 C THR A 60 1.711 4.358 -1.277 1.00 0.00 C ATOM 685 O THR A 60 2.091 4.306 -2.427 1.00 0.00 O ATOM 686 CB THR A 60 3.382 3.100 0.087 1.00 0.00 C ATOM 687 OG1 THR A 60 3.348 2.755 1.455 1.00 0.00 O ATOM 688 CG2 THR A 60 4.039 4.498 0.062 1.00 0.00 C ATOM 0 H THR A 60 1.985 1.799 -1.976 1.00 0.00 H new ATOM 0 HA THR A 60 1.274 3.291 0.533 1.00 0.00 H new ATOM 0 HB THR A 60 3.923 2.416 -0.566 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.677 1.839 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.081 4.416 0.371 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.991 4.905 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.509 5.161 0.746 1.00 0.00 H new ATOM 696 N LEU A 61 1.108 5.408 -0.770 1.00 0.00 N ATOM 697 CA LEU A 61 0.875 6.609 -1.636 1.00 0.00 C ATOM 698 C LEU A 61 1.194 7.906 -0.910 1.00 0.00 C ATOM 699 O LEU A 61 0.996 8.021 0.284 1.00 0.00 O ATOM 700 CB LEU A 61 -0.617 6.661 -2.077 1.00 0.00 C ATOM 701 CG LEU A 61 -1.398 5.444 -1.566 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.890 5.699 -1.789 1.00 0.00 C ATOM 703 CD2 LEU A 61 -0.985 4.183 -2.346 1.00 0.00 C ATOM 0 H LEU A 61 0.772 5.486 0.190 1.00 0.00 H new ATOM 0 HA LEU A 61 1.537 6.514 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.077 7.574 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.675 6.701 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.186 5.293 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.463 4.843 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.192 6.592 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.079 5.843 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.546 3.325 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.198 4.325 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.082 4.005 -2.211 1.00 0.00 H new ATOM 715 N ARG A 62 1.691 8.869 -1.658 1.00 0.00 N ATOM 716 CA ARG A 62 2.029 10.160 -1.047 1.00 0.00 C ATOM 717 C ARG A 62 0.793 11.026 -1.007 1.00 0.00 C ATOM 718 O ARG A 62 0.338 11.496 -2.041 1.00 0.00 O ATOM 719 CB ARG A 62 3.088 10.845 -1.917 1.00 0.00 C ATOM 720 CG ARG A 62 3.621 12.082 -1.189 1.00 0.00 C ATOM 721 CD ARG A 62 4.398 11.655 0.072 1.00 0.00 C ATOM 722 NE ARG A 62 5.655 12.460 0.174 1.00 0.00 N ATOM 723 CZ ARG A 62 5.581 13.751 0.361 1.00 0.00 C ATOM 724 NH1 ARG A 62 5.048 14.195 1.461 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.047 14.551 -0.556 1.00 0.00 N ATOM 0 H ARG A 62 1.870 8.799 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 62 2.407 10.011 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.904 10.154 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.657 11.131 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.272 12.652 -1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.794 12.737 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.784 11.805 0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.636 10.592 0.024 1.00 0.00 H new ATOM 0 HE ARG A 62 6.564 12.004 0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.697 13.539 2.159 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.981 15.199 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.462 14.167 -1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.997 15.561 -0.425 1.00 0.00 H new ATOM 739 N LYS A 63 0.263 11.215 0.185 1.00 0.00 N ATOM 740 CA LYS A 63 -0.959 12.050 0.334 1.00 0.00 C ATOM 741 C LYS A 63 -0.661 13.526 0.171 1.00 0.00 C ATOM 742 O LYS A 63 -1.414 14.367 0.620 1.00 0.00 O ATOM 743 CB LYS A 63 -1.534 11.821 1.734 1.00 0.00 C ATOM 744 CG LYS A 63 -3.032 11.520 1.630 1.00 0.00 C ATOM 745 CD LYS A 63 -3.227 10.056 1.226 1.00 0.00 C ATOM 746 CE LYS A 63 -4.610 9.891 0.595 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.113 8.502 0.794 1.00 0.00 N ATOM 0 H LYS A 63 0.630 10.824 1.053 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.666 11.760 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.019 10.992 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.372 12.703 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.521 11.714 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.497 12.177 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.453 9.754 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.132 9.409 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.306 10.603 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.559 10.116 -0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.053 8.408 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.457 7.828 0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.180 8.300 1.812 1.00 0.00 H new ATOM 761 N GLY A 64 0.419 13.816 -0.466 1.00 0.00 N ATOM 762 CA GLY A 64 0.778 15.247 -0.667 1.00 0.00 C ATOM 763 C GLY A 64 1.488 15.825 0.558 1.00 0.00 C ATOM 764 O GLY A 64 1.588 17.027 0.704 1.00 0.00 O ATOM 0 H GLY A 64 1.072 13.138 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.423 15.342 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.124 15.824 -0.872 1.00 0.00 H new ATOM 768 N GLY A 65 1.963 14.970 1.412 1.00 0.00 N ATOM 769 CA GLY A 65 2.665 15.478 2.626 1.00 0.00 C ATOM 770 C GLY A 65 3.269 14.330 3.427 1.00 0.00 C ATOM 771 O GLY A 65 4.332 14.464 4.001 1.00 0.00 O ATOM 0 H GLY A 65 1.900 13.955 1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.451 16.174 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.965 16.033 3.250 1.00 0.00 H new ATOM 775 N ASN A 66 2.578 13.233 3.452 1.00 0.00 N ATOM 776 CA ASN A 66 3.083 12.068 4.203 1.00 0.00 C ATOM 777 C ASN A 66 2.794 10.762 3.468 1.00 0.00 C ATOM 778 O ASN A 66 1.723 10.573 2.927 1.00 0.00 O ATOM 779 CB ASN A 66 2.356 12.044 5.540 1.00 0.00 C ATOM 780 CG ASN A 66 3.163 11.217 6.540 1.00 0.00 C ATOM 781 OD1 ASN A 66 3.511 11.679 7.610 1.00 0.00 O ATOM 782 ND2 ASN A 66 3.481 9.990 6.231 1.00 0.00 N ATOM 0 H ASN A 66 1.683 13.095 2.983 1.00 0.00 H new ATOM 0 HA ASN A 66 4.163 12.155 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.224 13.060 5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.360 11.618 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.019 9.422 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.191 9.598 5.335 1.00 0.00 H new ATOM 789 N ASN A 67 3.762 9.885 3.464 1.00 0.00 N ATOM 790 CA ASN A 67 3.571 8.587 2.776 1.00 0.00 C ATOM 791 C ASN A 67 2.638 7.693 3.577 1.00 0.00 C ATOM 792 O ASN A 67 2.968 7.268 4.665 1.00 0.00 O ATOM 793 CB ASN A 67 4.939 7.890 2.664 1.00 0.00 C ATOM 794 CG ASN A 67 5.927 8.536 3.638 1.00 0.00 C ATOM 795 OD1 ASN A 67 6.458 9.600 3.385 1.00 0.00 O ATOM 796 ND2 ASN A 67 6.202 7.928 4.760 1.00 0.00 N ATOM 0 H ASN A 67 4.671 10.015 3.907 1.00 0.00 H new ATOM 0 HA ASN A 67 3.138 8.763 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.836 6.828 2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.315 7.968 1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.859 8.346 5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.760 7.035 4.978 1.00 0.00 H new ATOM 803 N LYS A 68 1.485 7.421 3.029 1.00 0.00 N ATOM 804 CA LYS A 68 0.531 6.554 3.758 1.00 0.00 C ATOM 805 C LYS A 68 0.790 5.102 3.401 1.00 0.00 C ATOM 806 O LYS A 68 1.403 4.821 2.386 1.00 0.00 O ATOM 807 CB LYS A 68 -0.902 6.930 3.335 1.00 0.00 C ATOM 808 CG LYS A 68 -1.912 6.337 4.333 1.00 0.00 C ATOM 809 CD LYS A 68 -2.899 5.447 3.578 1.00 0.00 C ATOM 810 CE LYS A 68 -3.938 4.906 4.564 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.577 6.024 5.315 1.00 0.00 N ATOM 0 H LYS A 68 1.170 7.759 2.120 1.00 0.00 H new ATOM 0 HA LYS A 68 0.655 6.691 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.007 8.014 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.105 6.555 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.391 5.758 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.445 7.136 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.390 6.015 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.371 4.623 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.698 4.340 4.026 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.462 4.217 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.576 5.796 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.085 6.160 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.517 6.898 4.754 1.00 0.00 H new ATOM 825 N LEU A 69 0.316 4.201 4.235 1.00 0.00 N ATOM 826 CA LEU A 69 0.535 2.758 3.951 1.00 0.00 C ATOM 827 C LEU A 69 -0.771 1.974 3.871 1.00 0.00 C ATOM 828 O LEU A 69 -1.701 2.218 4.616 1.00 0.00 O ATOM 829 CB LEU A 69 1.376 2.176 5.103 1.00 0.00 C ATOM 830 CG LEU A 69 2.611 1.475 4.533 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.659 2.527 4.165 1.00 0.00 C ATOM 832 CD2 LEU A 69 3.191 0.540 5.592 1.00 0.00 C ATOM 0 H LEU A 69 -0.205 4.407 5.087 1.00 0.00 H new ATOM 0 HA LEU A 69 1.033 2.672 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.679 2.972 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.780 1.471 5.682 1.00 0.00 H new ATOM 0 HG LEU A 69 2.334 0.903 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.542 2.034 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.246 3.206 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.936 3.091 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.071 0.038 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.472 1.118 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.444 -0.204 5.869 1.00 0.00 H new ATOM 844 N ILE A 70 -0.800 1.040 2.956 1.00 0.00 N ATOM 845 CA ILE A 70 -2.013 0.199 2.773 1.00 0.00 C ATOM 846 C ILE A 70 -1.589 -1.263 2.631 1.00 0.00 C ATOM 847 O ILE A 70 -0.620 -1.564 1.961 1.00 0.00 O ATOM 848 CB ILE A 70 -2.736 0.651 1.502 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.358 2.027 1.734 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.865 -0.356 1.177 1.00 0.00 C ATOM 851 CD1 ILE A 70 -2.873 2.985 0.651 1.00 0.00 C ATOM 0 H ILE A 70 -0.028 0.825 2.325 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.678 0.301 3.631 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.026 0.700 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.445 1.956 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.082 2.403 2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.385 -0.040 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.436 -1.346 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.571 -0.392 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.314 3.969 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.787 3.063 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.171 2.609 -0.328 1.00 0.00 H new ATOM 863 N LYS A 71 -2.319 -2.147 3.256 1.00 0.00 N ATOM 864 CA LYS A 71 -1.954 -3.588 3.160 1.00 0.00 C ATOM 865 C LYS A 71 -2.658 -4.300 2.004 1.00 0.00 C ATOM 866 O LYS A 71 -3.727 -3.917 1.575 1.00 0.00 O ATOM 867 CB LYS A 71 -2.367 -4.274 4.476 1.00 0.00 C ATOM 868 CG LYS A 71 -1.127 -4.497 5.356 1.00 0.00 C ATOM 869 CD LYS A 71 -0.546 -3.140 5.774 1.00 0.00 C ATOM 870 CE LYS A 71 0.406 -3.344 6.954 1.00 0.00 C ATOM 871 NZ LYS A 71 1.565 -4.187 6.549 1.00 0.00 N ATOM 0 H LYS A 71 -3.142 -1.937 3.822 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.881 -3.650 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.094 -3.659 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.850 -5.228 4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.394 -5.078 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.379 -5.072 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.016 -2.685 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.349 -2.457 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.760 -2.378 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.125 -3.818 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.296 -4.150 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.251 -5.170 6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.958 -3.830 5.655 1.00 0.00 H new ATOM 885 N ILE A 72 -2.016 -5.339 1.539 1.00 0.00 N ATOM 886 CA ILE A 72 -2.566 -6.140 0.417 1.00 0.00 C ATOM 887 C ILE A 72 -3.028 -7.500 0.958 1.00 0.00 C ATOM 888 O ILE A 72 -2.258 -8.196 1.591 1.00 0.00 O ATOM 889 CB ILE A 72 -1.404 -6.350 -0.586 1.00 0.00 C ATOM 890 CG1 ILE A 72 -1.386 -5.236 -1.651 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.544 -7.723 -1.278 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.437 -5.501 -2.745 1.00 0.00 C ATOM 0 H ILE A 72 -1.120 -5.668 1.898 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.411 -5.643 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.467 -6.315 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.582 -4.273 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.395 -5.174 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.723 -7.861 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.516 -8.513 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.492 -7.765 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.403 -4.700 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.224 -6.453 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.429 -5.538 -2.295 1.00 0.00 H new ATOM 904 N PHE A 73 -4.268 -7.869 0.705 1.00 0.00 N ATOM 905 CA PHE A 73 -4.736 -9.180 1.221 1.00 0.00 C ATOM 906 C PHE A 73 -4.462 -10.271 0.200 1.00 0.00 C ATOM 907 O PHE A 73 -5.190 -10.435 -0.752 1.00 0.00 O ATOM 908 CB PHE A 73 -6.249 -9.103 1.515 1.00 0.00 C ATOM 909 CG PHE A 73 -6.686 -7.634 1.605 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.952 -6.723 2.347 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.803 -7.192 0.917 1.00 0.00 C ATOM 912 CE1 PHE A 73 -6.324 -5.395 2.394 1.00 0.00 C ATOM 913 CE2 PHE A 73 -8.174 -5.862 0.967 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.433 -4.966 1.703 1.00 0.00 C ATOM 0 H PHE A 73 -4.952 -7.328 0.177 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.199 -9.418 2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.808 -9.611 0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.474 -9.617 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.081 -7.055 2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.388 -7.891 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.744 -4.692 2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.047 -5.525 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.722 -3.926 1.738 1.00 0.00 H new ATOM 924 N HIS A 74 -3.388 -10.986 0.427 1.00 0.00 N ATOM 925 CA HIS A 74 -2.999 -12.085 -0.493 1.00 0.00 C ATOM 926 C HIS A 74 -3.097 -13.438 0.218 1.00 0.00 C ATOM 927 O HIS A 74 -3.243 -13.489 1.425 1.00 0.00 O ATOM 928 CB HIS A 74 -1.536 -11.829 -0.898 1.00 0.00 C ATOM 929 CG HIS A 74 -0.793 -13.155 -1.058 1.00 0.00 C ATOM 930 ND1 HIS A 74 0.010 -13.628 -0.230 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.830 -14.064 -2.095 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.487 -14.733 -0.624 1.00 0.00 C ATOM 933 NE2 HIS A 74 0.009 -15.097 -1.812 1.00 0.00 N ATOM 0 H HIS A 74 -2.761 -10.849 1.220 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.659 -12.109 -1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.502 -11.270 -1.833 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.044 -11.217 -0.142 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.252 -13.181 0.654 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.429 -13.971 -2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.201 -15.315 -0.060 1.00 0.00 H new ATOM 941 N ARG A 75 -3.017 -14.510 -0.545 1.00 0.00 N ATOM 942 CA ARG A 75 -3.103 -15.871 0.068 1.00 0.00 C ATOM 943 C ARG A 75 -1.851 -16.690 -0.234 1.00 0.00 C ATOM 944 O ARG A 75 -1.095 -17.019 0.659 1.00 0.00 O ATOM 945 CB ARG A 75 -4.317 -16.594 -0.528 1.00 0.00 C ATOM 946 CG ARG A 75 -5.409 -16.683 0.540 1.00 0.00 C ATOM 947 CD ARG A 75 -6.713 -17.133 -0.112 1.00 0.00 C ATOM 948 NE ARG A 75 -6.485 -18.431 -0.812 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.316 -18.810 -1.747 1.00 0.00 C ATOM 950 NH1 ARG A 75 -7.706 -17.939 -2.636 1.00 0.00 N ATOM 951 NH2 ARG A 75 -7.726 -20.050 -1.761 1.00 0.00 N ATOM 0 H ARG A 75 -2.897 -14.496 -1.558 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.196 -15.765 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.686 -16.056 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.035 -17.592 -0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.116 -17.387 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.544 -15.714 1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.492 -17.244 0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.059 -16.380 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.688 -19.017 -0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.363 -16.979 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.354 -18.217 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.398 -20.704 -1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.375 -20.365 -2.483 1.00 0.00 H new ATOM 965 N ASP A 76 -1.656 -17.004 -1.488 1.00 0.00 N ATOM 966 CA ASP A 76 -0.459 -17.800 -1.865 1.00 0.00 C ATOM 967 C ASP A 76 0.086 -17.359 -3.218 1.00 0.00 C ATOM 968 O ASP A 76 1.118 -17.829 -3.659 1.00 0.00 O ATOM 969 CB ASP A 76 -0.864 -19.279 -1.953 1.00 0.00 C ATOM 970 CG ASP A 76 -0.553 -19.810 -3.355 1.00 0.00 C ATOM 971 OD1 ASP A 76 0.567 -20.264 -3.525 1.00 0.00 O ATOM 972 OD2 ASP A 76 -1.452 -19.732 -4.176 1.00 0.00 O ATOM 0 H ASP A 76 -2.271 -16.744 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 76 0.315 -17.650 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.325 -19.860 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.927 -19.390 -1.738 1.00 0.00 H new ATOM 977 N GLY A 77 -0.617 -16.459 -3.857 1.00 0.00 N ATOM 978 CA GLY A 77 -0.145 -15.979 -5.188 1.00 0.00 C ATOM 979 C GLY A 77 -1.162 -15.019 -5.813 1.00 0.00 C ATOM 980 O GLY A 77 -0.845 -14.290 -6.732 1.00 0.00 O ATOM 0 H GLY A 77 -1.485 -16.042 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.816 -15.477 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.014 -16.830 -5.851 1.00 0.00 H new ATOM 984 N LYS A 78 -2.357 -15.040 -5.301 1.00 0.00 N ATOM 985 CA LYS A 78 -3.400 -14.148 -5.842 1.00 0.00 C ATOM 986 C LYS A 78 -3.449 -12.830 -5.062 1.00 0.00 C ATOM 987 O LYS A 78 -2.499 -12.473 -4.402 1.00 0.00 O ATOM 988 CB LYS A 78 -4.765 -14.874 -5.740 1.00 0.00 C ATOM 989 CG LYS A 78 -4.900 -15.604 -4.377 1.00 0.00 C ATOM 990 CD LYS A 78 -4.927 -17.133 -4.593 1.00 0.00 C ATOM 991 CE LYS A 78 -3.540 -17.628 -5.022 1.00 0.00 C ATOM 992 NZ LYS A 78 -3.552 -19.107 -5.205 1.00 0.00 N ATOM 0 H LYS A 78 -2.652 -15.639 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.173 -13.913 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.575 -14.153 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.862 -15.593 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.066 -15.335 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.812 -15.284 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.232 -17.633 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.664 -17.388 -5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.245 -17.142 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.800 -17.354 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.755 -19.527 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.445 -19.495 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.464 -19.332 -6.216 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.548 -12.118 -5.165 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.642 -10.832 -4.427 1.00 0.00 C ATOM 1008 C TYR A 79 -6.041 -10.571 -3.932 1.00 0.00 C ATOM 1009 O TYR A 79 -7.002 -11.116 -4.436 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.266 -9.706 -5.377 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.765 -9.684 -5.554 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.962 -9.003 -4.667 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -2.190 -10.332 -6.617 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.600 -8.971 -4.851 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.830 -10.300 -6.801 1.00 0.00 C ATOM 1016 CZ TYR A 79 -0.023 -9.620 -5.921 1.00 0.00 C ATOM 1017 OH TYR A 79 1.335 -9.575 -6.116 1.00 0.00 O ATOM 0 H TYR A 79 -5.366 -12.371 -5.719 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.973 -10.884 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.756 -9.848 -6.340 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.611 -8.751 -4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.403 -8.492 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.812 -10.872 -7.315 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.023 -8.433 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.391 -10.813 -7.644 1.00 0.00 H new ATOM 0 HH TYR A 79 1.723 -8.872 -5.554 1.00 0.00 H new ATOM 1027 N GLY A 80 -6.124 -9.720 -2.960 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.438 -9.376 -2.385 1.00 0.00 C ATOM 1029 C GLY A 80 -7.516 -7.882 -2.176 1.00 0.00 C ATOM 1030 O GLY A 80 -6.746 -7.316 -1.424 1.00 0.00 O ATOM 0 H GLY A 80 -5.328 -9.244 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.236 -9.704 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.580 -9.895 -1.437 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.429 -7.272 -2.866 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.592 -5.817 -2.740 1.00 0.00 C ATOM 1036 C PHE A 81 -10.055 -5.450 -2.879 1.00 0.00 C ATOM 1037 O PHE A 81 -10.504 -4.440 -2.375 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.801 -5.145 -3.868 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.878 -4.086 -3.262 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.820 -4.455 -2.450 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -7.122 -2.744 -3.475 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -5.030 -3.494 -1.856 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -6.329 -1.786 -2.879 1.00 0.00 C ATOM 1044 CZ PHE A 81 -5.285 -2.164 -2.070 1.00 0.00 C ATOM 0 H PHE A 81 -9.071 -7.727 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.231 -5.487 -1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.217 -5.887 -4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.482 -4.686 -4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.612 -5.501 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.940 -2.442 -4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.208 -3.790 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.529 -0.738 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.665 -1.413 -1.602 1.00 0.00 H new ATOM 1054 N SER A 82 -10.773 -6.289 -3.566 1.00 0.00 N ATOM 1055 CA SER A 82 -12.218 -6.029 -3.764 1.00 0.00 C ATOM 1056 C SER A 82 -12.974 -7.317 -4.056 1.00 0.00 C ATOM 1057 O SER A 82 -14.110 -7.481 -3.654 1.00 0.00 O ATOM 1058 CB SER A 82 -12.381 -5.084 -4.957 1.00 0.00 C ATOM 1059 OG SER A 82 -13.150 -5.830 -5.887 1.00 0.00 O ATOM 0 H SER A 82 -10.420 -7.143 -3.998 1.00 0.00 H new ATOM 0 HA SER A 82 -12.623 -5.589 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.887 -4.163 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.415 -4.800 -5.375 1.00 0.00 H new ATOM 0 HG SER A 82 -13.304 -5.291 -6.691 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.330 -8.208 -4.749 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.994 -9.495 -5.080 1.00 0.00 C ATOM 1067 C ASP A 83 -12.652 -10.569 -4.026 1.00 0.00 C ATOM 1068 O ASP A 83 -11.756 -10.382 -3.228 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.476 -9.958 -6.454 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.608 -9.872 -7.483 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.339 -8.899 -7.402 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -13.674 -10.783 -8.292 1.00 0.00 O ATOM 0 H ASP A 83 -11.378 -8.103 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.075 -9.355 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.638 -9.336 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.106 -10.981 -6.389 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.401 -11.678 -4.029 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.164 -12.769 -3.071 1.00 0.00 C ATOM 1079 C PRO A 84 -11.818 -13.488 -3.329 1.00 0.00 C ATOM 1080 O PRO A 84 -11.704 -14.685 -3.146 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.339 -13.756 -3.302 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.134 -13.251 -4.543 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.552 -11.885 -4.935 1.00 0.00 C ATOM 0 HA PRO A 84 -13.113 -12.390 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.965 -14.766 -3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.984 -13.798 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.046 -13.957 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.195 -13.164 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.238 -11.876 -5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.292 -11.094 -4.818 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.826 -12.741 -3.741 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.493 -13.361 -4.013 1.00 0.00 C ATOM 1093 C LEU A 85 -9.612 -14.501 -5.017 1.00 0.00 C ATOM 1094 O LEU A 85 -9.616 -15.660 -4.652 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.910 -13.920 -2.681 1.00 0.00 C ATOM 1096 CG LEU A 85 -8.058 -12.839 -1.997 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -8.240 -12.926 -0.486 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.586 -13.068 -2.328 1.00 0.00 C ATOM 0 H LEU A 85 -10.880 -11.735 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.836 -12.597 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.719 -14.231 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.303 -14.803 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.372 -11.857 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.635 -12.159 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.290 -12.772 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.925 -13.910 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.981 -12.302 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.281 -14.051 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.443 -13.014 -3.407 1.00 0.00 H new ATOM 1110 N THR A 86 -9.707 -14.148 -6.275 1.00 0.00 N ATOM 1111 CA THR A 86 -9.825 -15.192 -7.321 1.00 0.00 C ATOM 1112 C THR A 86 -9.331 -14.669 -8.667 1.00 0.00 C ATOM 1113 O THR A 86 -8.906 -15.434 -9.510 1.00 0.00 O ATOM 1114 CB THR A 86 -11.299 -15.596 -7.457 1.00 0.00 C ATOM 1115 OG1 THR A 86 -11.436 -16.062 -8.784 1.00 0.00 O ATOM 1116 CG2 THR A 86 -12.218 -14.368 -7.384 1.00 0.00 C ATOM 0 H THR A 86 -9.707 -13.186 -6.615 1.00 0.00 H new ATOM 0 HA THR A 86 -9.216 -16.048 -7.031 1.00 0.00 H new ATOM 0 HB THR A 86 -11.557 -16.310 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.363 -16.340 -8.939 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.256 -14.684 -7.483 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.081 -13.868 -6.425 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.970 -13.679 -8.192 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.391 -13.372 -8.848 1.00 0.00 N ATOM 1125 CA PHE A 87 -8.925 -12.804 -10.138 1.00 0.00 C ATOM 1126 C PHE A 87 -7.444 -13.072 -10.309 1.00 0.00 C ATOM 1127 O PHE A 87 -6.969 -13.314 -11.400 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.196 -11.286 -10.147 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.551 -10.628 -8.929 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.173 -10.656 -7.689 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.347 -9.977 -9.055 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.588 -10.040 -6.601 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.766 -9.362 -7.966 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.385 -9.394 -6.742 1.00 0.00 C ATOM 0 H PHE A 87 -9.738 -12.697 -8.167 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.462 -13.271 -10.963 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.799 -10.844 -11.061 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.270 -11.101 -10.143 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.120 -11.162 -7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.852 -9.947 -10.014 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.077 -10.066 -5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.820 -8.853 -8.077 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.927 -8.912 -5.891 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.749 -13.025 -9.222 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.287 -13.276 -9.258 1.00 0.00 C ATOM 1146 C ASN A 88 -4.515 -12.247 -10.081 1.00 0.00 C ATOM 1147 O ASN A 88 -3.743 -12.608 -10.949 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.069 -14.659 -9.878 1.00 0.00 C ATOM 1149 CG ASN A 88 -6.217 -15.576 -9.457 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.732 -16.345 -10.242 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -6.647 -15.521 -8.225 1.00 0.00 N ATOM 0 H ASN A 88 -7.130 -12.822 -8.298 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.912 -13.209 -8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.026 -14.583 -10.964 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.116 -15.073 -9.550 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.414 -16.123 -7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.216 -14.876 -7.563 1.00 0.00 H new ATOM 1158 N SER A 89 -4.732 -10.988 -9.813 1.00 0.00 N ATOM 1159 CA SER A 89 -3.989 -9.955 -10.593 1.00 0.00 C ATOM 1160 C SER A 89 -4.324 -8.543 -10.179 1.00 0.00 C ATOM 1161 O SER A 89 -5.466 -8.096 -10.238 1.00 0.00 O ATOM 1162 CB SER A 89 -4.310 -10.087 -12.061 1.00 0.00 C ATOM 1163 OG SER A 89 -5.470 -10.906 -12.106 1.00 0.00 O ATOM 0 H SER A 89 -5.376 -10.634 -9.105 1.00 0.00 H new ATOM 0 HA SER A 89 -2.932 -10.132 -10.393 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.495 -9.113 -12.515 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.483 -10.541 -12.607 1.00 0.00 H new ATOM 0 HG SER A 89 -5.650 -11.168 -13.033 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.314 -7.842 -9.842 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.521 -6.449 -9.420 1.00 0.00 C ATOM 1171 C VAL A 90 -3.556 -5.573 -10.637 1.00 0.00 C ATOM 1172 O VAL A 90 -4.282 -4.604 -10.695 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.360 -6.015 -8.513 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.607 -4.585 -8.024 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -2.287 -6.956 -7.310 1.00 0.00 C ATOM 0 H VAL A 90 -2.347 -8.166 -9.837 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.460 -6.362 -8.874 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.423 -6.054 -9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.785 -4.274 -7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.671 -3.914 -8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.541 -4.548 -7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.465 -6.654 -6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.224 -6.909 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.121 -7.976 -7.656 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.775 -5.941 -11.604 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.741 -5.149 -12.838 1.00 0.00 C ATOM 1187 C VAL A 91 -4.139 -5.026 -13.367 1.00 0.00 C ATOM 1188 O VAL A 91 -4.563 -3.970 -13.779 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.858 -5.887 -13.876 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.345 -4.895 -14.944 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.666 -6.535 -13.156 1.00 0.00 C ATOM 0 H VAL A 91 -2.162 -6.756 -11.587 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.332 -4.157 -12.646 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.452 -6.656 -14.370 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.726 -5.427 -15.667 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.193 -4.441 -15.457 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.753 -4.116 -14.463 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.042 -7.056 -13.882 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.078 -5.763 -12.659 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.031 -7.246 -12.415 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.837 -6.114 -13.339 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.224 -6.089 -13.834 1.00 0.00 C ATOM 1203 C GLU A 92 -7.023 -5.138 -12.972 1.00 0.00 C ATOM 1204 O GLU A 92 -7.761 -4.307 -13.466 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.821 -7.501 -13.711 1.00 0.00 C ATOM 1206 CG GLU A 92 -6.195 -8.403 -14.773 1.00 0.00 C ATOM 1207 CD GLU A 92 -7.219 -8.679 -15.875 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.331 -7.822 -16.736 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -7.829 -9.732 -15.793 1.00 0.00 O ATOM 0 H GLU A 92 -4.507 -7.016 -12.996 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.250 -5.766 -14.875 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.631 -7.904 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.903 -7.464 -13.839 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.310 -7.926 -15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.868 -9.340 -14.323 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.856 -5.277 -11.682 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.596 -4.385 -10.751 1.00 0.00 C ATOM 1218 C LEU A 93 -7.105 -2.947 -10.886 1.00 0.00 C ATOM 1219 O LEU A 93 -7.794 -2.093 -11.423 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.321 -4.870 -9.308 1.00 0.00 C ATOM 1221 CG LEU A 93 -8.012 -3.941 -8.295 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.920 -4.772 -7.395 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.952 -3.255 -7.424 1.00 0.00 C ATOM 0 H LEU A 93 -6.245 -5.963 -11.240 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.660 -4.416 -10.984 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.684 -5.890 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.247 -4.889 -9.121 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.595 -3.191 -8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.413 -4.120 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.672 -5.276 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.325 -5.515 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.441 -2.597 -6.706 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.376 -4.010 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.284 -2.670 -8.057 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.927 -2.708 -10.383 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.360 -1.355 -10.459 1.00 0.00 C ATOM 1237 C ILE A 94 -5.639 -0.717 -11.811 1.00 0.00 C ATOM 1238 O ILE A 94 -5.862 0.468 -11.894 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.836 -1.463 -10.202 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.448 -0.584 -9.010 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -3.019 -1.020 -11.460 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.651 0.902 -9.344 1.00 0.00 C ATOM 0 H ILE A 94 -5.338 -3.402 -9.922 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.824 -0.716 -9.708 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.602 -2.506 -9.986 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.050 -0.853 -8.142 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.406 -0.763 -8.743 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.953 -1.106 -11.250 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.276 -1.660 -12.304 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.258 0.015 -11.703 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.370 1.510 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.029 1.171 -10.198 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.698 1.080 -9.587 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.619 -1.505 -12.849 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.888 -0.927 -14.186 1.00 0.00 C ATOM 1256 C ASN A 95 -7.293 -0.349 -14.222 1.00 0.00 C ATOM 1257 O ASN A 95 -7.503 0.768 -14.670 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.780 -2.036 -15.243 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.379 -1.539 -16.560 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.523 -0.352 -16.782 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -6.740 -2.411 -17.461 1.00 0.00 N ATOM 0 H ASN A 95 -5.431 -2.507 -12.828 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.164 -0.139 -14.391 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.737 -2.316 -15.388 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.306 -2.929 -14.905 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.140 -2.095 -18.345 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.622 -3.408 -17.282 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.236 -1.117 -13.737 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.628 -0.629 -13.736 1.00 0.00 C ATOM 1270 C HIS A 96 -9.738 0.644 -12.915 1.00 0.00 C ATOM 1271 O HIS A 96 -10.705 1.374 -13.025 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.523 -1.708 -13.108 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.708 -1.983 -14.036 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.706 -1.242 -14.160 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -11.929 -3.043 -14.897 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.533 -1.710 -15.000 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.122 -2.864 -15.528 1.00 0.00 N ATOM 0 H HIS A 96 -8.095 -2.049 -13.348 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.939 -0.419 -14.759 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.952 -2.622 -12.947 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.879 -1.379 -12.132 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.262 -3.879 -15.045 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.465 -1.229 -15.259 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.580 -3.456 -16.221 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.739 0.889 -12.098 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.768 2.118 -11.259 1.00 0.00 C ATOM 1287 C TYR A 97 -7.948 3.237 -11.886 1.00 0.00 C ATOM 1288 O TYR A 97 -8.326 4.389 -11.827 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.180 1.782 -9.880 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.282 1.177 -9.004 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.419 1.902 -8.708 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.169 -0.108 -8.526 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.428 1.351 -7.953 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.179 -0.663 -7.768 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.317 0.062 -7.475 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.327 -0.496 -6.718 1.00 0.00 O ATOM 0 H TYR A 97 -7.917 0.296 -11.981 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.800 2.457 -11.173 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.353 1.080 -9.984 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.778 2.681 -9.413 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.517 2.914 -9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.284 -0.686 -8.746 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.312 1.931 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.079 -1.674 -7.400 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.201 -1.467 -6.668 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.844 2.884 -12.477 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.001 3.921 -13.107 1.00 0.00 C ATOM 1308 C ARG A 98 -6.814 4.709 -14.116 1.00 0.00 C ATOM 1309 O ARG A 98 -6.536 5.860 -14.383 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.837 3.229 -13.835 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.514 3.641 -13.178 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.382 2.770 -13.731 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.127 3.139 -15.151 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.014 2.758 -15.720 1.00 0.00 C ATOM 1315 NH1 ARG A 98 0.102 3.336 -15.371 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -1.055 1.809 -16.616 1.00 0.00 N ATOM 0 H ARG A 98 -6.494 1.928 -12.549 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.626 4.600 -12.342 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.957 2.147 -13.791 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.835 3.507 -14.889 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.309 4.693 -13.376 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.581 3.527 -12.096 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.478 2.910 -13.139 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.650 1.716 -13.660 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.813 3.683 -15.674 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.096 4.072 -14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.981 3.052 -15.804 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.946 1.378 -16.862 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.196 1.499 -17.070 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.812 4.069 -14.657 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.665 4.757 -15.654 1.00 0.00 C ATOM 1332 C ASN A 99 -9.895 5.375 -14.996 1.00 0.00 C ATOM 1333 O ASN A 99 -10.485 6.295 -15.527 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.131 3.719 -16.672 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.560 4.065 -18.048 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -9.280 4.418 -18.960 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -7.273 3.976 -18.240 1.00 0.00 N ATOM 0 H ASN A 99 -8.070 3.104 -14.451 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.088 5.553 -16.125 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.803 2.724 -16.370 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.220 3.697 -16.713 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.877 4.202 -19.152 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.663 3.680 -17.478 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.254 4.856 -13.844 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.449 5.394 -13.127 1.00 0.00 C ATOM 1346 C GLU A 100 -11.074 6.167 -11.862 1.00 0.00 C ATOM 1347 O GLU A 100 -10.680 7.313 -11.926 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.336 4.206 -12.726 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.884 3.534 -13.991 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.356 3.174 -13.775 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -15.168 4.056 -14.005 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.587 2.039 -13.393 1.00 0.00 O ATOM 0 H GLU A 100 -9.773 4.089 -13.375 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.963 6.084 -13.796 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.761 3.489 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.158 4.547 -12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.783 4.203 -14.845 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.308 2.637 -14.219 1.00 0.00 H new ATOM 1359 N SER A 101 -11.206 5.516 -10.734 1.00 0.00 N ATOM 1360 CA SER A 101 -10.871 6.181 -9.445 1.00 0.00 C ATOM 1361 C SER A 101 -11.210 5.260 -8.291 1.00 0.00 C ATOM 1362 O SER A 101 -12.169 4.518 -8.357 1.00 0.00 O ATOM 1363 CB SER A 101 -11.728 7.450 -9.310 1.00 0.00 C ATOM 1364 OG SER A 101 -10.938 8.475 -9.893 1.00 0.00 O ATOM 0 H SER A 101 -11.532 4.553 -10.653 1.00 0.00 H new ATOM 0 HA SER A 101 -9.808 6.423 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.682 7.342 -9.826 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.953 7.668 -8.266 1.00 0.00 H new ATOM 0 HG SER A 101 -11.076 8.482 -10.863 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.433 5.311 -7.253 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.730 4.426 -6.104 1.00 0.00 C ATOM 1372 C LEU A 102 -11.818 5.019 -5.220 1.00 0.00 C ATOM 1373 O LEU A 102 -11.541 5.736 -4.278 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.449 4.241 -5.279 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.376 3.575 -6.153 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.002 3.968 -5.637 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.509 2.050 -6.072 1.00 0.00 C ATOM 0 H LEU A 102 -9.618 5.916 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.084 3.467 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.093 5.206 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.653 3.627 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.504 3.900 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.234 3.499 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.892 5.051 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.892 3.636 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.745 1.585 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.381 1.728 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.496 1.752 -6.425 1.00 0.00 H new ATOM 1389 N ALA A 103 -13.045 4.713 -5.555 1.00 0.00 N ATOM 1390 CA ALA A 103 -14.179 5.239 -4.756 1.00 0.00 C ATOM 1391 C ALA A 103 -14.569 4.267 -3.643 1.00 0.00 C ATOM 1392 O ALA A 103 -15.521 4.496 -2.926 1.00 0.00 O ATOM 1393 CB ALA A 103 -15.384 5.421 -5.695 1.00 0.00 C ATOM 0 H ALA A 103 -13.305 4.123 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.882 6.184 -4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -16.231 5.808 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -15.125 6.124 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.650 4.460 -6.136 1.00 0.00 H new ATOM 1399 N GLN A 104 -13.826 3.197 -3.518 1.00 0.00 N ATOM 1400 CA GLN A 104 -14.147 2.208 -2.458 1.00 0.00 C ATOM 1401 C GLN A 104 -13.642 2.671 -1.093 1.00 0.00 C ATOM 1402 O GLN A 104 -14.303 2.486 -0.091 1.00 0.00 O ATOM 1403 CB GLN A 104 -13.452 0.888 -2.812 1.00 0.00 C ATOM 1404 CG GLN A 104 -14.474 -0.075 -3.419 1.00 0.00 C ATOM 1405 CD GLN A 104 -13.737 -1.168 -4.194 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -14.336 -1.970 -4.883 1.00 0.00 O ATOM 1407 NE2 GLN A 104 -12.436 -1.234 -4.109 1.00 0.00 N ATOM 0 H GLN A 104 -13.020 2.971 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 104 -15.229 2.091 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -12.641 1.069 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -13.006 0.448 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.085 -0.519 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.151 0.464 -4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.928 -0.563 -3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -11.928 -1.956 -4.619 1.00 0.00 H new ATOM 1416 N TYR A 105 -12.479 3.261 -1.078 1.00 0.00 N ATOM 1417 CA TYR A 105 -11.921 3.737 0.215 1.00 0.00 C ATOM 1418 C TYR A 105 -12.947 4.545 1.006 1.00 0.00 C ATOM 1419 O TYR A 105 -13.804 3.990 1.664 1.00 0.00 O ATOM 1420 CB TYR A 105 -10.697 4.623 -0.079 1.00 0.00 C ATOM 1421 CG TYR A 105 -9.465 3.733 -0.247 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -9.281 3.003 -1.401 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -8.517 3.654 0.753 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -8.168 2.206 -1.555 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -7.403 2.855 0.599 1.00 0.00 C ATOM 1426 CZ TYR A 105 -7.220 2.125 -0.558 1.00 0.00 C ATOM 1427 OH TYR A 105 -6.105 1.334 -0.717 1.00 0.00 O ATOM 0 H TYR A 105 -11.897 3.432 -1.898 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.642 2.870 0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.865 5.208 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.541 5.331 0.735 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.015 3.056 -2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.648 4.222 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.037 1.640 -2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.669 2.800 1.389 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.337 0.400 -0.532 1.00 0.00 H new ATOM 1437 N ASN A 106 -12.842 5.839 0.928 1.00 0.00 N ATOM 1438 CA ASN A 106 -13.801 6.695 1.671 1.00 0.00 C ATOM 1439 C ASN A 106 -15.173 6.766 0.937 1.00 0.00 C ATOM 1440 O ASN A 106 -15.207 7.029 -0.249 1.00 0.00 O ATOM 1441 CB ASN A 106 -13.215 8.114 1.730 1.00 0.00 C ATOM 1442 CG ASN A 106 -13.640 8.778 3.042 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -14.795 9.102 3.241 1.00 0.00 O ATOM 1444 ND2 ASN A 106 -12.741 8.995 3.962 1.00 0.00 N ATOM 0 H ASN A 106 -12.138 6.339 0.385 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.957 6.277 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.128 8.075 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.565 8.701 0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -13.008 9.434 4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -11.771 8.725 3.801 1.00 0.00 H new ATOM 1451 N PRO A 107 -16.297 6.531 1.649 1.00 0.00 N ATOM 1452 CA PRO A 107 -17.611 6.587 1.007 1.00 0.00 C ATOM 1453 C PRO A 107 -17.942 8.006 0.538 1.00 0.00 C ATOM 1454 O PRO A 107 -17.305 8.961 0.939 1.00 0.00 O ATOM 1455 CB PRO A 107 -18.612 6.173 2.103 1.00 0.00 C ATOM 1456 CG PRO A 107 -17.817 6.036 3.432 1.00 0.00 C ATOM 1457 CD PRO A 107 -16.329 6.185 3.089 1.00 0.00 C ATOM 0 HA PRO A 107 -17.644 5.942 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -19.401 6.918 2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -19.095 5.230 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -18.126 6.800 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -18.009 5.069 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -15.862 6.964 3.692 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -15.785 5.261 3.284 1.00 0.00 H new ATOM 1465 N LYS A 108 -18.933 8.114 -0.307 1.00 0.00 N ATOM 1466 CA LYS A 108 -19.328 9.456 -0.818 1.00 0.00 C ATOM 1467 C LYS A 108 -18.111 10.263 -1.275 1.00 0.00 C ATOM 1468 O LYS A 108 -18.208 11.448 -1.522 1.00 0.00 O ATOM 1469 CB LYS A 108 -20.027 10.214 0.319 1.00 0.00 C ATOM 1470 CG LYS A 108 -21.463 10.541 -0.109 1.00 0.00 C ATOM 1471 CD LYS A 108 -22.200 11.219 1.051 1.00 0.00 C ATOM 1472 CE LYS A 108 -23.705 10.997 0.885 1.00 0.00 C ATOM 1473 NZ LYS A 108 -24.124 9.744 1.574 1.00 0.00 N ATOM 0 H LYS A 108 -19.483 7.333 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 108 -19.989 9.325 -1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -20.033 9.610 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -19.485 11.131 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -21.454 11.196 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -21.983 9.629 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -21.862 10.809 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -21.977 12.286 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -24.252 11.846 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -23.956 10.939 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -25.148 9.607 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -23.615 8.935 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -23.902 9.814 2.588 1.00 0.00 H new ATOM 1487 N LEU A 109 -16.991 9.605 -1.377 1.00 0.00 N ATOM 1488 CA LEU A 109 -15.759 10.311 -1.816 1.00 0.00 C ATOM 1489 C LEU A 109 -14.874 9.358 -2.610 1.00 0.00 C ATOM 1490 O LEU A 109 -15.071 8.160 -2.575 1.00 0.00 O ATOM 1491 CB LEU A 109 -14.992 10.788 -0.562 1.00 0.00 C ATOM 1492 CG LEU A 109 -15.303 12.271 -0.294 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -15.151 12.556 1.201 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -14.310 13.142 -1.071 1.00 0.00 C ATOM 0 H LEU A 109 -16.877 8.612 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 109 -16.025 11.161 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -15.277 10.186 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -13.920 10.652 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 109 -16.321 12.495 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.370 13.606 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.844 11.930 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -14.130 12.335 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -14.526 14.194 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.295 12.916 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -14.402 12.936 -2.137 1.00 0.00 H new ATOM 1506 N ASP A 110 -13.914 9.895 -3.314 1.00 0.00 N ATOM 1507 CA ASP A 110 -13.028 9.004 -4.103 1.00 0.00 C ATOM 1508 C ASP A 110 -11.698 9.668 -4.422 1.00 0.00 C ATOM 1509 O ASP A 110 -11.545 10.864 -4.274 1.00 0.00 O ATOM 1510 CB ASP A 110 -13.739 8.674 -5.423 1.00 0.00 C ATOM 1511 CG ASP A 110 -13.971 9.967 -6.208 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -13.005 10.424 -6.797 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -15.101 10.426 -6.173 1.00 0.00 O ATOM 0 H ASP A 110 -13.710 10.893 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.826 8.108 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.137 7.981 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.690 8.180 -5.224 1.00 0.00 H new ATOM 1518 N VAL A 111 -10.754 8.860 -4.856 1.00 0.00 N ATOM 1519 CA VAL A 111 -9.410 9.398 -5.201 1.00 0.00 C ATOM 1520 C VAL A 111 -9.032 9.022 -6.629 1.00 0.00 C ATOM 1521 O VAL A 111 -9.704 8.237 -7.268 1.00 0.00 O ATOM 1522 CB VAL A 111 -8.376 8.779 -4.236 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -7.021 9.488 -4.404 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -8.865 8.956 -2.795 1.00 0.00 C ATOM 0 H VAL A 111 -10.864 7.854 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.426 10.484 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 111 -8.259 7.719 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.293 9.049 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.673 9.370 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.135 10.549 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.139 8.521 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.979 10.018 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.825 8.455 -2.673 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.962 9.587 -7.097 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.513 9.286 -8.476 1.00 0.00 C ATOM 1536 C LYS A 112 -5.998 9.322 -8.547 1.00 0.00 C ATOM 1537 O LYS A 112 -5.405 10.382 -8.621 1.00 0.00 O ATOM 1538 CB LYS A 112 -8.084 10.358 -9.420 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.300 11.658 -8.633 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.311 12.845 -9.602 1.00 0.00 C ATOM 1541 CE LYS A 112 -6.921 13.487 -9.616 1.00 0.00 C ATOM 1542 NZ LYS A 112 -6.874 14.612 -10.592 1.00 0.00 N ATOM 0 H LYS A 112 -7.378 10.246 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.861 8.295 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.399 10.531 -10.250 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.026 10.017 -9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.242 11.612 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.508 11.785 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.582 12.511 -10.604 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.060 13.575 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.673 13.852 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.172 12.740 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -5.945 14.628 -11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.618 14.482 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.027 15.511 -10.093 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.396 8.161 -8.530 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.916 8.111 -8.593 1.00 0.00 C ATOM 1558 C LEU A 113 -3.415 7.980 -10.041 1.00 0.00 C ATOM 1559 O LEU A 113 -3.275 6.907 -10.580 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.416 6.939 -7.687 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.698 5.532 -8.284 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.549 4.510 -7.161 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -5.122 5.432 -8.840 1.00 0.00 C ATOM 0 H LEU A 113 -5.865 7.257 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.503 9.048 -8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.344 7.048 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.896 7.014 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.998 5.349 -9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.742 3.510 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.536 4.554 -6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.263 4.734 -6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.284 4.435 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.839 5.616 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.258 6.174 -9.627 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.167 9.121 -10.639 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.679 9.147 -12.044 1.00 0.00 C ATOM 1577 C LEU A 114 -1.225 9.606 -12.103 1.00 0.00 C ATOM 1578 O LEU A 114 -0.813 10.237 -13.057 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.539 10.183 -12.825 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.927 9.608 -13.191 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -4.772 8.459 -14.211 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.654 9.117 -11.923 1.00 0.00 C ATOM 0 H LEU A 114 -3.284 10.038 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.755 8.147 -12.470 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.664 11.082 -12.221 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.016 10.480 -13.734 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.528 10.396 -13.646 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.755 8.061 -14.462 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.292 8.836 -15.114 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.160 7.668 -13.778 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.630 8.715 -12.196 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.062 8.338 -11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.785 9.951 -11.233 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.475 9.282 -11.092 1.00 0.00 N ATOM 1595 CA TYR A 115 0.947 9.697 -11.084 1.00 0.00 C ATOM 1596 C TYR A 115 1.837 8.629 -10.452 1.00 0.00 C ATOM 1597 O TYR A 115 2.341 8.796 -9.363 1.00 0.00 O ATOM 1598 CB TYR A 115 1.031 10.987 -10.262 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.229 11.808 -10.544 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.399 11.553 -9.855 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -0.227 12.786 -11.518 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.549 12.262 -10.139 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -1.378 13.496 -11.801 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.547 13.240 -11.112 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.696 13.952 -11.393 1.00 0.00 O ATOM 0 H TYR A 115 -0.783 8.752 -10.277 1.00 0.00 H new ATOM 0 HA TYR A 115 1.296 9.846 -12.106 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.107 10.758 -9.199 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.923 11.553 -10.530 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.414 10.793 -9.088 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.681 12.998 -12.063 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.457 12.049 -9.595 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.363 14.257 -12.567 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.513 14.601 -12.104 1.00 0.00 H new ATOM 1615 N PRO A 116 2.013 7.534 -11.169 1.00 0.00 N ATOM 1616 CA PRO A 116 2.833 6.435 -10.693 1.00 0.00 C ATOM 1617 C PRO A 116 4.302 6.726 -10.947 1.00 0.00 C ATOM 1618 O PRO A 116 4.638 7.388 -11.908 1.00 0.00 O ATOM 1619 CB PRO A 116 2.413 5.241 -11.561 1.00 0.00 C ATOM 1620 CG PRO A 116 1.620 5.819 -12.775 1.00 0.00 C ATOM 1621 CD PRO A 116 1.393 7.315 -12.488 1.00 0.00 C ATOM 0 HA PRO A 116 2.704 6.263 -9.624 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.286 4.684 -11.900 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.795 4.548 -10.991 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.179 5.684 -13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.669 5.300 -12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.854 7.941 -13.252 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.331 7.560 -12.473 1.00 0.00 H new ATOM 1629 N VAL A 117 5.149 6.229 -10.087 1.00 0.00 N ATOM 1630 CA VAL A 117 6.603 6.469 -10.271 1.00 0.00 C ATOM 1631 C VAL A 117 7.305 5.168 -10.602 1.00 0.00 C ATOM 1632 O VAL A 117 6.836 4.109 -10.249 1.00 0.00 O ATOM 1633 CB VAL A 117 7.189 7.031 -8.966 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.061 8.554 -8.977 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.424 6.466 -7.769 1.00 0.00 C ATOM 0 H VAL A 117 4.897 5.671 -9.271 1.00 0.00 H new ATOM 0 HA VAL A 117 6.748 7.177 -11.087 1.00 0.00 H new ATOM 0 HB VAL A 117 8.238 6.747 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.475 8.961 -8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.607 8.959 -9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.010 8.830 -9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.844 6.868 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.374 6.748 -7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.509 5.379 -7.763 1.00 0.00 H new ATOM 1645 N SER A 118 8.402 5.262 -11.297 1.00 0.00 N ATOM 1646 CA SER A 118 9.139 4.029 -11.653 1.00 0.00 C ATOM 1647 C SER A 118 10.451 4.346 -12.328 1.00 0.00 C ATOM 1648 O SER A 118 10.980 5.430 -12.194 1.00 0.00 O ATOM 1649 CB SER A 118 8.293 3.200 -12.619 1.00 0.00 C ATOM 1650 OG SER A 118 8.702 1.862 -12.372 1.00 0.00 O ATOM 0 H SER A 118 8.815 6.133 -11.630 1.00 0.00 H new ATOM 0 HA SER A 118 9.339 3.480 -10.733 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.227 3.333 -12.432 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.473 3.488 -13.655 1.00 0.00 H new ATOM 0 HG SER A 118 8.632 1.670 -11.413 1.00 0.00 H new ATOM 1656 N LYS A 119 10.945 3.380 -13.048 1.00 0.00 N ATOM 1657 CA LYS A 119 12.230 3.564 -13.761 1.00 0.00 C ATOM 1658 C LYS A 119 12.093 3.114 -15.210 1.00 0.00 C ATOM 1659 O LYS A 119 13.043 3.143 -15.966 1.00 0.00 O ATOM 1660 CB LYS A 119 13.294 2.689 -13.068 1.00 0.00 C ATOM 1661 CG LYS A 119 13.293 2.977 -11.549 1.00 0.00 C ATOM 1662 CD LYS A 119 13.797 4.405 -11.288 1.00 0.00 C ATOM 1663 CE LYS A 119 14.819 4.375 -10.148 1.00 0.00 C ATOM 1664 NZ LYS A 119 15.967 3.491 -10.494 1.00 0.00 N ATOM 0 H LYS A 119 10.508 2.466 -13.172 1.00 0.00 H new ATOM 0 HA LYS A 119 12.515 4.616 -13.739 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.086 1.634 -13.249 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.279 2.896 -13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.286 2.858 -11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.929 2.257 -11.033 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.252 4.814 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.963 5.057 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 119 15.178 5.385 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.342 4.020 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.839 3.877 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 15.797 2.537 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 16.067 3.441 -11.528 1.00 0.00 H new ATOM 1678 N TYR A 120 10.903 2.706 -15.568 1.00 0.00 N ATOM 1679 CA TYR A 120 10.674 2.250 -16.956 1.00 0.00 C ATOM 1680 C TYR A 120 11.280 3.228 -17.956 1.00 0.00 C ATOM 1681 O TYR A 120 11.854 2.736 -18.915 1.00 0.00 O ATOM 1682 CB TYR A 120 9.163 2.176 -17.187 1.00 0.00 C ATOM 1683 CG TYR A 120 8.755 0.718 -17.424 1.00 0.00 C ATOM 1684 CD1 TYR A 120 8.484 -0.117 -16.358 1.00 0.00 C ATOM 1685 CD2 TYR A 120 8.653 0.217 -18.707 1.00 0.00 C ATOM 1686 CE1 TYR A 120 8.119 -1.432 -16.571 1.00 0.00 C ATOM 1687 CE2 TYR A 120 8.288 -1.098 -18.920 1.00 0.00 C ATOM 1688 CZ TYR A 120 8.018 -1.932 -17.853 1.00 0.00 C ATOM 1689 OH TYR A 120 7.654 -3.246 -18.066 1.00 0.00 O ATOM 1690 OXT TYR A 120 11.136 4.413 -17.709 1.00 0.00 O ATOM 0 H TYR A 120 10.088 2.672 -14.956 1.00 0.00 H new ATOM 0 HA TYR A 120 11.144 1.277 -17.098 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.632 2.578 -16.324 1.00 0.00 H new ATOM 0 HB3 TYR A 120 8.885 2.787 -18.046 1.00 0.00 H new ATOM 0 HD1 TYR A 120 8.558 0.261 -15.349 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.860 0.859 -19.551 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.911 -2.074 -15.728 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.213 -1.477 -19.929 1.00 0.00 H new ATOM 0 HH TYR A 120 7.632 -3.427 -19.029 1.00 0.00 H new TER 1700 TYR A 120