USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 497 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 73 ASN : amide:sc=0.000301 K(o=0.04,f=-1.2) USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 76 THR OG1 : rot 180:sc= 0.0395 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 TYR OH : rot 130:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.449 K(o=-0.45,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0531) USER MOD Single : A 83 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0115) USER MOD Single : A 91 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.213) USER MOD Single : A 96 MET CE :methyl 161:sc=-0.00507 (180deg=-0.405) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 118 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 59 -3.207 -12.362 0.026 1.00 0.00 N ATOM 2 CA TRP A 59 -2.627 -11.003 0.039 1.00 0.00 C ATOM 3 C TRP A 59 -3.379 -10.142 -0.907 1.00 0.00 C ATOM 4 O TRP A 59 -3.111 -10.131 -2.100 1.00 0.00 O ATOM 5 CB TRP A 59 -1.125 -11.051 -0.294 1.00 0.00 C ATOM 6 CG TRP A 59 -0.315 -11.910 0.652 1.00 0.00 C ATOM 7 CD1 TRP A 59 0.363 -11.530 1.772 1.00 0.00 C ATOM 8 CD2 TRP A 59 -0.123 -13.331 0.529 1.00 0.00 C ATOM 9 NE1 TRP A 59 0.948 -12.619 2.365 1.00 0.00 N ATOM 10 CE2 TRP A 59 0.654 -13.734 1.613 1.00 0.00 C ATOM 11 CE3 TRP A 59 -0.565 -14.226 -0.404 1.00 0.00 C ATOM 12 CZ2 TRP A 59 0.996 -15.045 1.786 1.00 0.00 C ATOM 13 CZ3 TRP A 59 -0.223 -15.551 -0.226 1.00 0.00 C ATOM 14 CH2 TRP A 59 0.542 -15.954 0.853 1.00 0.00 C ATOM 0 HA TRP A 59 -2.716 -10.574 1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.000 -11.428 -1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.727 -10.036 -0.279 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.430 -10.517 2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.506 -12.605 3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -1.159 -13.909 -1.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.601 -15.359 2.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.559 -16.286 -0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.789 -16.999 0.967 1.00 0.00 H new ATOM 27 N ILE A 60 -4.416 -9.449 -0.396 1.00 0.00 N ATOM 28 CA ILE A 60 -5.351 -8.783 -1.260 1.00 0.00 C ATOM 29 C ILE A 60 -6.083 -7.728 -0.507 1.00 0.00 C ATOM 30 O ILE A 60 -5.962 -6.542 -0.807 1.00 0.00 O ATOM 31 CB ILE A 60 -6.384 -9.610 -2.014 1.00 0.00 C ATOM 32 CG1 ILE A 60 -6.440 -11.104 -1.623 1.00 0.00 C ATOM 33 CG2 ILE A 60 -6.093 -9.389 -3.511 1.00 0.00 C ATOM 34 CD1 ILE A 60 -6.925 -11.307 -0.195 1.00 0.00 C ATOM 0 H ILE A 60 -4.607 -9.349 0.601 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.690 -8.404 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.385 -9.272 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.103 -11.633 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.449 -11.544 -1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.805 -9.959 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.188 -8.329 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.080 -9.722 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.948 -12.373 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.248 -10.802 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.927 -10.892 -0.089 1.00 0.00 H new ATOM 46 N ALA A 61 -6.882 -8.160 0.485 1.00 0.00 N ATOM 47 CA ALA A 61 -7.766 -7.312 1.206 1.00 0.00 C ATOM 48 C ALA A 61 -7.106 -7.031 2.505 1.00 0.00 C ATOM 49 O ALA A 61 -7.721 -6.453 3.395 1.00 0.00 O ATOM 50 CB ALA A 61 -9.119 -7.977 1.495 1.00 0.00 C ATOM 0 H ALA A 61 -6.910 -9.132 0.792 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.963 -6.418 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.754 -7.285 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.603 -8.241 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.962 -8.878 2.088 1.00 0.00 H new ATOM 56 N ARG A 62 -5.823 -7.430 2.632 1.00 0.00 N ATOM 57 CA ARG A 62 -5.035 -7.025 3.753 1.00 0.00 C ATOM 58 C ARG A 62 -4.565 -5.636 3.473 1.00 0.00 C ATOM 59 O ARG A 62 -4.325 -4.856 4.390 1.00 0.00 O ATOM 60 CB ARG A 62 -3.781 -7.870 4.030 1.00 0.00 C ATOM 61 CG ARG A 62 -3.629 -9.187 3.258 1.00 0.00 C ATOM 62 CD ARG A 62 -2.481 -10.002 3.882 1.00 0.00 C ATOM 63 NE ARG A 62 -2.471 -11.399 3.360 1.00 0.00 N ATOM 64 CZ ARG A 62 -3.196 -12.409 3.923 1.00 0.00 C ATOM 65 NH1 ARG A 62 -4.024 -12.175 4.980 1.00 0.00 N ATOM 66 NH2 ARG A 62 -3.087 -13.673 3.414 1.00 0.00 N ATOM 0 H ARG A 62 -5.338 -8.028 1.963 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.675 -7.133 4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.907 -7.254 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.759 -8.100 5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.558 -9.755 3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.421 -8.986 2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.528 -9.521 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.588 -10.016 4.967 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.896 -11.609 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.109 -11.233 5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.559 -12.942 5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.469 -13.853 2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.623 -14.437 3.826 1.00 0.00 H new ATOM 80 N ILE A 63 -4.417 -5.312 2.172 1.00 0.00 N ATOM 81 CA ILE A 63 -3.984 -4.074 1.666 1.00 0.00 C ATOM 82 C ILE A 63 -5.137 -3.156 1.752 1.00 0.00 C ATOM 83 O ILE A 63 -4.975 -2.019 2.176 1.00 0.00 O ATOM 84 CB ILE A 63 -3.658 -4.231 0.210 1.00 0.00 C ATOM 85 CG1 ILE A 63 -2.739 -5.446 0.005 1.00 0.00 C ATOM 86 CG2 ILE A 63 -3.007 -2.924 -0.224 1.00 0.00 C ATOM 87 CD1 ILE A 63 -2.422 -5.758 -1.458 1.00 0.00 C ATOM 0 H ILE A 63 -4.621 -5.981 1.430 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.116 -3.712 2.216 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.544 -4.420 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.804 -5.273 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.207 -6.321 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.747 -2.981 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.703 -2.100 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.104 -2.754 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.769 -6.629 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.348 -5.966 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.923 -4.902 -1.913 1.00 0.00 H new ATOM 99 N ASN A 64 -6.328 -3.648 1.347 1.00 0.00 N ATOM 100 CA ASN A 64 -7.552 -2.896 1.414 1.00 0.00 C ATOM 101 C ASN A 64 -7.813 -2.512 2.825 1.00 0.00 C ATOM 102 O ASN A 64 -8.225 -1.391 3.121 1.00 0.00 O ATOM 103 CB ASN A 64 -8.758 -3.739 0.993 1.00 0.00 C ATOM 104 CG ASN A 64 -9.969 -2.827 0.814 1.00 0.00 C ATOM 105 OD1 ASN A 64 -9.973 -1.919 -0.026 1.00 0.00 O ATOM 106 ND2 ASN A 64 -11.024 -3.091 1.643 1.00 0.00 N ATOM 0 H ASN A 64 -6.444 -4.587 0.965 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.433 -2.038 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.543 -4.265 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.967 -4.498 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.871 -2.525 1.587 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.964 -3.854 2.317 1.00 0.00 H new ATOM 113 N ALA A 65 -7.555 -3.475 3.722 1.00 0.00 N ATOM 114 CA ALA A 65 -7.793 -3.311 5.129 1.00 0.00 C ATOM 115 C ALA A 65 -6.804 -2.366 5.728 1.00 0.00 C ATOM 116 O ALA A 65 -7.090 -1.746 6.751 1.00 0.00 O ATOM 117 CB ALA A 65 -7.686 -4.616 5.928 1.00 0.00 C ATOM 0 H ALA A 65 -7.174 -4.387 3.472 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.813 -2.933 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.878 -4.414 6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.419 -5.331 5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.684 -5.031 5.815 1.00 0.00 H new ATOM 123 N ALA A 66 -5.610 -2.230 5.115 1.00 0.00 N ATOM 124 CA ALA A 66 -4.620 -1.354 5.664 1.00 0.00 C ATOM 125 C ALA A 66 -4.894 0.066 5.259 1.00 0.00 C ATOM 126 O ALA A 66 -4.639 0.987 6.033 1.00 0.00 O ATOM 127 CB ALA A 66 -3.206 -1.718 5.193 1.00 0.00 C ATOM 0 H ALA A 66 -5.336 -2.714 4.260 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.674 -1.463 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.487 -1.028 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.970 -2.736 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.156 -1.650 4.106 1.00 0.00 H new ATOM 133 N VAL A 67 -5.404 0.277 4.025 1.00 0.00 N ATOM 134 CA VAL A 67 -5.446 1.585 3.437 1.00 0.00 C ATOM 135 C VAL A 67 -6.740 2.290 3.693 1.00 0.00 C ATOM 136 O VAL A 67 -6.903 3.435 3.272 1.00 0.00 O ATOM 137 CB VAL A 67 -5.234 1.584 1.942 1.00 0.00 C ATOM 138 CG1 VAL A 67 -3.831 1.054 1.623 1.00 0.00 C ATOM 139 CG2 VAL A 67 -6.344 0.806 1.214 1.00 0.00 C ATOM 0 H VAL A 67 -5.788 -0.461 3.435 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.622 2.108 3.922 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.298 2.607 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.679 1.054 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.085 1.693 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.731 0.038 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.158 0.827 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.352 -0.227 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.309 1.267 1.424 1.00 0.00 H new ATOM 149 N ARG A 68 -7.695 1.637 4.391 1.00 0.00 N ATOM 150 CA ARG A 68 -9.019 2.182 4.573 1.00 0.00 C ATOM 151 C ARG A 68 -9.064 3.079 5.781 1.00 0.00 C ATOM 152 O ARG A 68 -10.115 3.258 6.397 1.00 0.00 O ATOM 153 CB ARG A 68 -10.098 1.082 4.691 1.00 0.00 C ATOM 154 CG ARG A 68 -9.844 0.062 5.810 1.00 0.00 C ATOM 155 CD ARG A 68 -10.808 -1.129 5.775 1.00 0.00 C ATOM 156 NE ARG A 68 -12.180 -0.661 6.120 1.00 0.00 N ATOM 157 CZ ARG A 68 -13.222 -1.543 6.161 1.00 0.00 C ATOM 158 NH1 ARG A 68 -13.029 -2.854 5.835 1.00 0.00 N ATOM 159 NH2 ARG A 68 -14.463 -1.114 6.535 1.00 0.00 N ATOM 0 H ARG A 68 -7.553 0.728 4.832 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.243 2.767 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.065 1.555 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.164 0.552 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.821 -0.305 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.930 0.562 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.805 -1.585 4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.484 -1.895 6.480 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.342 0.325 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.103 -3.180 5.559 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.811 -3.508 5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.611 -0.136 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.242 -1.772 6.566 1.00 0.00 H new ATOM 173 N ALA A 69 -7.914 3.691 6.118 1.00 0.00 N ATOM 174 CA ALA A 69 -7.799 4.673 7.150 1.00 0.00 C ATOM 175 C ALA A 69 -7.605 5.984 6.462 1.00 0.00 C ATOM 176 O ALA A 69 -7.924 7.038 7.011 1.00 0.00 O ATOM 177 CB ALA A 69 -6.555 4.437 8.018 1.00 0.00 C ATOM 0 H ALA A 69 -7.029 3.493 5.652 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.684 4.635 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.501 5.203 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.618 3.454 8.484 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.662 4.487 7.395 1.00 0.00 H new ATOM 183 N TYR A 70 -7.052 5.932 5.234 1.00 0.00 N ATOM 184 CA TYR A 70 -6.601 7.108 4.551 1.00 0.00 C ATOM 185 C TYR A 70 -7.728 7.682 3.756 1.00 0.00 C ATOM 186 O TYR A 70 -8.013 8.875 3.854 1.00 0.00 O ATOM 187 CB TYR A 70 -5.435 6.804 3.590 1.00 0.00 C ATOM 188 CG TYR A 70 -4.348 6.111 4.352 1.00 0.00 C ATOM 189 CD1 TYR A 70 -3.789 6.668 5.490 1.00 0.00 C ATOM 190 CD2 TYR A 70 -3.894 4.878 3.923 1.00 0.00 C ATOM 191 CE1 TYR A 70 -2.833 5.979 6.211 1.00 0.00 C ATOM 192 CE2 TYR A 70 -2.936 4.188 4.639 1.00 0.00 C ATOM 193 CZ TYR A 70 -2.416 4.733 5.794 1.00 0.00 C ATOM 194 OH TYR A 70 -1.452 4.022 6.539 1.00 0.00 O ATOM 0 H TYR A 70 -6.917 5.067 4.711 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.253 7.813 5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.778 6.176 2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.058 7.727 3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.103 7.649 5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.294 4.449 3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.411 6.418 7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.594 3.223 4.295 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.773 3.111 6.703 1.00 0.00 H new ATOM 204 N GLY A 71 -8.392 6.837 2.943 1.00 0.00 N ATOM 205 CA GLY A 71 -9.384 7.303 2.015 1.00 0.00 C ATOM 206 C GLY A 71 -9.172 6.508 0.773 1.00 0.00 C ATOM 207 O GLY A 71 -10.031 6.449 -0.106 1.00 0.00 O ATOM 0 H GLY A 71 -8.243 5.828 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.390 7.155 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.271 8.370 1.822 1.00 0.00 H new ATOM 211 N LEU A 72 -7.995 5.860 0.709 1.00 0.00 N ATOM 212 CA LEU A 72 -7.645 4.941 -0.329 1.00 0.00 C ATOM 213 C LEU A 72 -8.443 3.720 -0.088 1.00 0.00 C ATOM 214 O LEU A 72 -8.753 3.366 1.047 1.00 0.00 O ATOM 215 CB LEU A 72 -6.169 4.553 -0.225 1.00 0.00 C ATOM 216 CG LEU A 72 -5.196 5.697 -0.560 1.00 0.00 C ATOM 217 CD1 LEU A 72 -3.780 5.354 -0.070 1.00 0.00 C ATOM 218 CD2 LEU A 72 -5.217 6.017 -2.060 1.00 0.00 C ATOM 0 H LEU A 72 -7.260 5.981 1.406 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.829 5.387 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.967 4.202 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.976 3.717 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.522 6.596 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.102 6.172 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.795 5.205 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.437 4.442 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.520 6.829 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.923 5.132 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.223 6.317 -2.354 1.00 0.00 H new ATOM 230 N ASN A 73 -8.848 3.102 -1.208 1.00 0.00 N ATOM 231 CA ASN A 73 -9.736 1.993 -1.199 1.00 0.00 C ATOM 232 C ASN A 73 -9.093 0.869 -1.929 1.00 0.00 C ATOM 233 O ASN A 73 -9.794 -0.006 -2.438 1.00 0.00 O ATOM 234 CB ASN A 73 -11.122 2.318 -1.803 1.00 0.00 C ATOM 235 CG ASN A 73 -11.038 2.675 -3.292 1.00 0.00 C ATOM 236 OD1 ASN A 73 -10.310 3.576 -3.724 1.00 0.00 O ATOM 237 ND2 ASN A 73 -11.860 1.933 -4.096 1.00 0.00 N ATOM 0 H ASN A 73 -8.549 3.383 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.925 1.719 -0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.782 1.461 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.568 3.149 -1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.890 2.113 -5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.442 1.200 -3.692 1.00 0.00 H new ATOM 244 N TYR A 74 -7.736 0.895 -1.990 1.00 0.00 N ATOM 245 CA TYR A 74 -6.889 -0.086 -2.634 1.00 0.00 C ATOM 246 C TYR A 74 -6.805 0.197 -4.107 1.00 0.00 C ATOM 247 O TYR A 74 -5.780 -0.078 -4.722 1.00 0.00 O ATOM 248 CB TYR A 74 -7.208 -1.577 -2.281 1.00 0.00 C ATOM 249 CG TYR A 74 -6.729 -2.604 -3.265 1.00 0.00 C ATOM 250 CD1 TYR A 74 -7.498 -2.918 -4.374 1.00 0.00 C ATOM 251 CD2 TYR A 74 -5.598 -3.359 -3.013 1.00 0.00 C ATOM 252 CE1 TYR A 74 -7.122 -3.933 -5.231 1.00 0.00 C ATOM 253 CE2 TYR A 74 -5.221 -4.376 -3.864 1.00 0.00 C ATOM 254 CZ TYR A 74 -5.980 -4.664 -4.977 1.00 0.00 C ATOM 255 OH TYR A 74 -5.585 -5.706 -5.840 1.00 0.00 O ATOM 0 H TYR A 74 -7.197 1.648 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.891 0.032 -2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.768 -1.801 -1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.288 -1.681 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.403 -2.362 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.002 -3.149 -2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.722 -4.155 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.329 -4.948 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.757 -6.111 -5.507 1.00 0.00 H new ATOM 265 N SER A 75 -7.873 0.750 -4.710 1.00 0.00 N ATOM 266 CA SER A 75 -7.985 0.867 -6.136 1.00 0.00 C ATOM 267 C SER A 75 -7.243 2.063 -6.619 1.00 0.00 C ATOM 268 O SER A 75 -6.729 2.067 -7.733 1.00 0.00 O ATOM 269 CB SER A 75 -9.436 1.001 -6.609 1.00 0.00 C ATOM 270 OG SER A 75 -10.181 -0.134 -6.192 1.00 0.00 O ATOM 0 H SER A 75 -8.674 1.123 -4.201 1.00 0.00 H new ATOM 0 HA SER A 75 -7.565 -0.052 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.879 1.909 -6.201 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.468 1.091 -7.695 1.00 0.00 H new ATOM 0 HG SER A 75 -11.109 -0.045 -6.494 1.00 0.00 H new ATOM 276 N THR A 76 -7.191 3.121 -5.791 1.00 0.00 N ATOM 277 CA THR A 76 -6.527 4.331 -6.172 1.00 0.00 C ATOM 278 C THR A 76 -5.086 4.193 -5.796 1.00 0.00 C ATOM 279 O THR A 76 -4.201 4.838 -6.369 1.00 0.00 O ATOM 280 CB THR A 76 -7.104 5.523 -5.477 1.00 0.00 C ATOM 281 OG1 THR A 76 -7.500 5.151 -4.166 1.00 0.00 O ATOM 282 CG2 THR A 76 -8.338 5.984 -6.268 1.00 0.00 C ATOM 0 H THR A 76 -7.607 3.140 -4.860 1.00 0.00 H new ATOM 0 HA THR A 76 -6.651 4.484 -7.244 1.00 0.00 H new ATOM 0 HB THR A 76 -6.368 6.325 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.878 5.929 -3.705 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.778 6.854 -5.781 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.042 6.248 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.071 5.178 -6.302 1.00 0.00 H new ATOM 290 N PHE A 77 -4.841 3.291 -4.826 1.00 0.00 N ATOM 291 CA PHE A 77 -3.524 2.972 -4.383 1.00 0.00 C ATOM 292 C PHE A 77 -2.853 2.305 -5.527 1.00 0.00 C ATOM 293 O PHE A 77 -1.703 2.606 -5.815 1.00 0.00 O ATOM 294 CB PHE A 77 -3.551 1.986 -3.198 1.00 0.00 C ATOM 295 CG PHE A 77 -2.372 2.076 -2.265 1.00 0.00 C ATOM 296 CD1 PHE A 77 -1.720 3.265 -1.966 1.00 0.00 C ATOM 297 CD2 PHE A 77 -2.019 0.946 -1.546 1.00 0.00 C ATOM 298 CE1 PHE A 77 -0.781 3.330 -0.956 1.00 0.00 C ATOM 299 CE2 PHE A 77 -1.125 1.029 -0.500 1.00 0.00 C ATOM 300 CZ PHE A 77 -0.493 2.214 -0.206 1.00 0.00 C ATOM 0 H PHE A 77 -5.575 2.775 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.012 3.877 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.462 2.156 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.607 0.971 -3.591 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.951 4.154 -2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.449 -0.010 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.271 4.260 -0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.919 0.152 0.096 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.220 2.268 0.603 1.00 0.00 H new ATOM 310 N ILE A 78 -3.596 1.419 -6.224 1.00 0.00 N ATOM 311 CA ILE A 78 -3.155 0.633 -7.329 1.00 0.00 C ATOM 312 C ILE A 78 -2.518 1.503 -8.374 1.00 0.00 C ATOM 313 O ILE A 78 -1.471 1.158 -8.921 1.00 0.00 O ATOM 314 CB ILE A 78 -4.331 -0.165 -7.835 1.00 0.00 C ATOM 315 CG1 ILE A 78 -4.067 -1.661 -7.675 1.00 0.00 C ATOM 316 CG2 ILE A 78 -4.727 0.112 -9.299 1.00 0.00 C ATOM 317 CD1 ILE A 78 -3.879 -2.183 -6.249 1.00 0.00 C ATOM 0 H ILE A 78 -4.574 1.245 -5.993 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.378 -0.070 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.170 0.162 -7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.898 -2.202 -8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.174 -1.911 -8.248 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.581 -0.509 -9.569 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.993 1.163 -9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.887 -0.122 -9.954 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.699 -3.258 -6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.027 -1.684 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.777 -1.980 -5.666 1.00 0.00 H new ATOM 329 N ASN A 79 -3.133 2.675 -8.633 1.00 0.00 N ATOM 330 CA ASN A 79 -2.598 3.649 -9.534 1.00 0.00 C ATOM 331 C ASN A 79 -1.317 4.259 -9.092 1.00 0.00 C ATOM 332 O ASN A 79 -0.314 4.184 -9.799 1.00 0.00 O ATOM 333 CB ASN A 79 -3.517 4.835 -9.886 1.00 0.00 C ATOM 334 CG ASN A 79 -5.017 4.635 -9.660 1.00 0.00 C ATOM 335 OD1 ASN A 79 -5.607 3.592 -9.955 1.00 0.00 O ATOM 336 ND2 ASN A 79 -5.656 5.753 -9.193 1.00 0.00 N ATOM 0 H ASN A 79 -4.018 2.949 -8.208 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.462 3.020 -10.414 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.197 5.698 -9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.362 5.086 -10.935 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.669 5.749 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.119 6.589 -8.964 1.00 0.00 H new ATOM 343 N GLY A 80 -1.357 4.924 -7.927 1.00 0.00 N ATOM 344 CA GLY A 80 -0.279 5.817 -7.548 1.00 0.00 C ATOM 345 C GLY A 80 0.953 5.112 -7.086 1.00 0.00 C ATOM 346 O GLY A 80 1.992 5.740 -6.910 1.00 0.00 O ATOM 0 H GLY A 80 -2.116 4.855 -7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.027 6.449 -8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.628 6.477 -6.754 1.00 0.00 H new ATOM 350 N LEU A 81 0.874 3.795 -6.857 1.00 0.00 N ATOM 351 CA LEU A 81 2.038 2.996 -6.602 1.00 0.00 C ATOM 352 C LEU A 81 2.929 2.947 -7.791 1.00 0.00 C ATOM 353 O LEU A 81 4.142 2.916 -7.637 1.00 0.00 O ATOM 354 CB LEU A 81 1.691 1.541 -6.337 1.00 0.00 C ATOM 355 CG LEU A 81 1.000 1.310 -4.991 1.00 0.00 C ATOM 356 CD1 LEU A 81 0.231 -0.020 -4.987 1.00 0.00 C ATOM 357 CD2 LEU A 81 2.043 1.369 -3.866 1.00 0.00 C ATOM 0 H LEU A 81 -0.002 3.273 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 81 2.512 3.463 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.043 1.180 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.604 0.946 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 81 0.266 2.098 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.250 -0.159 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.527 -0.004 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.924 -0.841 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.553 1.205 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.795 0.596 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.523 2.348 -3.866 1.00 0.00 H new ATOM 369 N LYS A 82 2.347 2.910 -9.006 1.00 0.00 N ATOM 370 CA LYS A 82 3.099 2.820 -10.226 1.00 0.00 C ATOM 371 C LYS A 82 3.820 4.115 -10.421 1.00 0.00 C ATOM 372 O LYS A 82 4.957 4.140 -10.893 1.00 0.00 O ATOM 373 CB LYS A 82 2.182 2.579 -11.439 1.00 0.00 C ATOM 374 CG LYS A 82 2.922 2.361 -12.766 1.00 0.00 C ATOM 375 CD LYS A 82 1.957 2.083 -13.927 1.00 0.00 C ATOM 376 CE LYS A 82 2.667 1.802 -15.255 1.00 0.00 C ATOM 377 NZ LYS A 82 3.431 2.987 -15.705 1.00 0.00 N ATOM 0 H LYS A 82 1.337 2.943 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 82 3.791 1.981 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.558 1.708 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.513 3.433 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.520 3.243 -12.996 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.613 1.525 -12.662 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.329 1.229 -13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.295 2.940 -14.052 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.340 0.952 -15.140 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.934 1.527 -16.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.806 2.816 -16.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.805 3.818 -15.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.220 3.161 -15.050 1.00 0.00 H new ATOM 391 N LYS A 83 3.161 5.222 -10.025 1.00 0.00 N ATOM 392 CA LYS A 83 3.711 6.541 -10.114 1.00 0.00 C ATOM 393 C LYS A 83 4.855 6.679 -9.152 1.00 0.00 C ATOM 394 O LYS A 83 5.812 7.402 -9.426 1.00 0.00 O ATOM 395 CB LYS A 83 2.662 7.611 -9.757 1.00 0.00 C ATOM 396 CG LYS A 83 1.479 7.654 -10.732 1.00 0.00 C ATOM 397 CD LYS A 83 0.434 8.698 -10.317 1.00 0.00 C ATOM 398 CE LYS A 83 -0.857 8.613 -11.134 1.00 0.00 C ATOM 399 NZ LYS A 83 -0.589 8.922 -12.554 1.00 0.00 N ATOM 0 H LYS A 83 2.220 5.198 -9.632 1.00 0.00 H new ATOM 0 HA LYS A 83 4.044 6.689 -11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.287 7.421 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.143 8.589 -9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.842 7.882 -11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.011 6.671 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.198 8.567 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.861 9.695 -10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.285 7.614 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.593 9.311 -10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.477 8.877 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.185 9.877 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.085 8.229 -12.939 1.00 0.00 H new ATOM 413 N ALA A 84 4.780 5.976 -8.002 1.00 0.00 N ATOM 414 CA ALA A 84 5.776 6.060 -6.972 1.00 0.00 C ATOM 415 C ALA A 84 6.979 5.244 -7.341 1.00 0.00 C ATOM 416 O ALA A 84 8.106 5.660 -7.077 1.00 0.00 O ATOM 417 CB ALA A 84 5.247 5.586 -5.608 1.00 0.00 C ATOM 0 H ALA A 84 4.014 5.338 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 84 6.048 7.112 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.038 5.669 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.401 6.206 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.927 4.547 -5.683 1.00 0.00 H new ATOM 423 N GLY A 85 6.763 4.071 -7.973 1.00 0.00 N ATOM 424 CA GLY A 85 7.827 3.212 -8.416 1.00 0.00 C ATOM 425 C GLY A 85 7.892 2.048 -7.491 1.00 0.00 C ATOM 426 O GLY A 85 8.969 1.523 -7.206 1.00 0.00 O ATOM 0 H GLY A 85 5.831 3.711 -8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.647 2.878 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.775 3.750 -8.419 1.00 0.00 H new ATOM 430 N ILE A 86 6.714 1.635 -6.996 1.00 0.00 N ATOM 431 CA ILE A 86 6.556 0.580 -6.054 1.00 0.00 C ATOM 432 C ILE A 86 5.873 -0.501 -6.843 1.00 0.00 C ATOM 433 O ILE A 86 6.504 -1.501 -7.186 1.00 0.00 O ATOM 434 CB ILE A 86 5.746 1.059 -4.860 1.00 0.00 C ATOM 435 CG1 ILE A 86 6.483 2.235 -4.178 1.00 0.00 C ATOM 436 CG2 ILE A 86 5.505 -0.103 -3.885 1.00 0.00 C ATOM 437 CD1 ILE A 86 5.727 2.807 -2.981 1.00 0.00 C ATOM 0 H ILE A 86 5.828 2.061 -7.269 1.00 0.00 H new ATOM 0 HA ILE A 86 7.491 0.220 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 86 4.771 1.415 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.467 1.898 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.645 3.027 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.924 0.251 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.957 -0.897 -4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.462 -0.489 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.298 3.628 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.754 3.174 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.588 2.027 -2.232 1.00 0.00 H new ATOM 449 N GLU A 87 4.576 -0.280 -7.168 1.00 0.00 N ATOM 450 CA GLU A 87 3.668 -1.177 -7.848 1.00 0.00 C ATOM 451 C GLU A 87 3.764 -2.545 -7.260 1.00 0.00 C ATOM 452 O GLU A 87 4.070 -3.519 -7.947 1.00 0.00 O ATOM 453 CB GLU A 87 3.820 -1.197 -9.381 1.00 0.00 C ATOM 454 CG GLU A 87 2.587 -1.770 -10.095 1.00 0.00 C ATOM 455 CD GLU A 87 2.804 -1.674 -11.597 1.00 0.00 C ATOM 456 OE1 GLU A 87 3.808 -2.251 -12.091 1.00 0.00 O ATOM 457 OE2 GLU A 87 1.960 -1.027 -12.273 1.00 0.00 O ATOM 0 H GLU A 87 4.123 0.604 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 87 2.665 -0.784 -7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.001 -0.183 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.696 -1.789 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.429 -2.808 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.693 -1.218 -9.806 1.00 0.00 H new ATOM 464 N LEU A 88 3.559 -2.611 -5.931 1.00 0.00 N ATOM 465 CA LEU A 88 3.928 -3.773 -5.191 1.00 0.00 C ATOM 466 C LEU A 88 2.772 -4.237 -4.363 1.00 0.00 C ATOM 467 O LEU A 88 2.646 -5.440 -4.130 1.00 0.00 O ATOM 468 CB LEU A 88 5.173 -3.473 -4.336 1.00 0.00 C ATOM 469 CG LEU A 88 6.069 -4.690 -4.034 1.00 0.00 C ATOM 470 CD1 LEU A 88 6.817 -5.156 -5.295 1.00 0.00 C ATOM 471 CD2 LEU A 88 7.073 -4.381 -2.908 1.00 0.00 C ATOM 0 H LEU A 88 3.141 -1.865 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 88 4.186 -4.582 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.772 -2.719 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.849 -3.037 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 88 5.416 -5.496 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.441 -6.016 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.096 -5.437 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.445 -4.346 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.690 -5.260 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.710 -3.548 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.531 -4.116 -2.000 1.00 0.00 H new ATOM 483 N ASP A 89 1.894 -3.306 -3.906 1.00 0.00 N ATOM 484 CA ASP A 89 0.740 -3.693 -3.127 1.00 0.00 C ATOM 485 C ASP A 89 -0.286 -4.112 -4.117 1.00 0.00 C ATOM 486 O ASP A 89 -1.015 -3.301 -4.686 1.00 0.00 O ATOM 487 CB ASP A 89 0.022 -2.646 -2.228 1.00 0.00 C ATOM 488 CG ASP A 89 0.924 -1.634 -1.536 1.00 0.00 C ATOM 489 OD1 ASP A 89 1.793 -1.022 -2.200 1.00 0.00 O ATOM 490 OD2 ASP A 89 0.721 -1.434 -0.310 1.00 0.00 O ATOM 0 H ASP A 89 1.980 -2.303 -4.072 1.00 0.00 H new ATOM 0 HA ASP A 89 1.135 -4.429 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.698 -2.103 -2.840 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.546 -3.179 -1.465 1.00 0.00 H new ATOM 495 N ARG A 90 -0.345 -5.426 -4.351 1.00 0.00 N ATOM 496 CA ARG A 90 -1.354 -6.014 -5.164 1.00 0.00 C ATOM 497 C ARG A 90 -1.494 -7.329 -4.506 1.00 0.00 C ATOM 498 O ARG A 90 -2.598 -7.867 -4.427 1.00 0.00 O ATOM 499 CB ARG A 90 -0.962 -6.209 -6.645 1.00 0.00 C ATOM 500 CG ARG A 90 -0.894 -4.871 -7.397 1.00 0.00 C ATOM 501 CD ARG A 90 -0.712 -4.973 -8.909 1.00 0.00 C ATOM 502 NE ARG A 90 -0.807 -3.574 -9.422 1.00 0.00 N ATOM 503 CZ ARG A 90 -0.898 -3.311 -10.758 1.00 0.00 C ATOM 504 NH1 ARG A 90 -0.826 -4.326 -11.668 1.00 0.00 N ATOM 505 NH2 ARG A 90 -1.066 -2.024 -11.182 1.00 0.00 N ATOM 0 H ARG A 90 0.322 -6.096 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.248 -5.393 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.005 -6.708 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.687 -6.862 -7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.810 -4.315 -7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.070 -4.286 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.252 -5.417 -9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.479 -5.606 -9.354 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.804 -2.798 -8.760 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.704 -5.288 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.895 -4.123 -12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.123 -1.266 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.135 -1.820 -12.179 1.00 0.00 H new ATOM 519 N LYS A 91 -0.354 -7.834 -3.976 1.00 0.00 N ATOM 520 CA LYS A 91 -0.262 -9.041 -3.259 1.00 0.00 C ATOM 521 C LYS A 91 1.192 -9.175 -2.962 1.00 0.00 C ATOM 522 O LYS A 91 2.036 -8.926 -3.824 1.00 0.00 O ATOM 523 CB LYS A 91 -0.783 -10.295 -3.994 1.00 0.00 C ATOM 524 CG LYS A 91 -0.202 -10.644 -5.368 1.00 0.00 C ATOM 525 CD LYS A 91 -1.150 -11.562 -6.167 1.00 0.00 C ATOM 526 CE LYS A 91 -1.844 -12.669 -5.352 1.00 0.00 C ATOM 527 NZ LYS A 91 -0.854 -13.554 -4.694 1.00 0.00 N ATOM 0 H LYS A 91 0.544 -7.358 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.903 -8.992 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.620 -11.152 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.861 -10.184 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.021 -9.728 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.762 -11.136 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.917 -10.944 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.582 -12.029 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.490 -12.218 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.484 -13.260 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.179 -14.540 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.065 -13.464 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.752 -13.279 -3.696 1.00 0.00 H new ATOM 541 N ILE A 92 1.473 -9.558 -1.695 1.00 0.00 N ATOM 542 CA ILE A 92 2.661 -10.209 -1.186 1.00 0.00 C ATOM 543 C ILE A 92 3.609 -9.140 -0.736 1.00 0.00 C ATOM 544 O ILE A 92 4.638 -9.411 -0.123 1.00 0.00 O ATOM 545 CB ILE A 92 3.215 -11.233 -2.167 1.00 0.00 C ATOM 546 CG1 ILE A 92 2.118 -12.275 -2.533 1.00 0.00 C ATOM 547 CG2 ILE A 92 4.546 -11.869 -1.712 1.00 0.00 C ATOM 548 CD1 ILE A 92 2.415 -13.731 -2.167 1.00 0.00 C ATOM 0 H ILE A 92 0.798 -9.395 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 92 2.441 -10.824 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 92 3.483 -10.702 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.190 -11.981 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.941 -12.222 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.880 -12.588 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.300 -11.091 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.399 -12.378 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.579 -14.360 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.320 -14.058 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.558 -13.813 -1.090 1.00 0.00 H new ATOM 560 N LEU A 93 3.220 -7.870 -0.947 1.00 0.00 N ATOM 561 CA LEU A 93 3.863 -6.779 -0.258 1.00 0.00 C ATOM 562 C LEU A 93 3.074 -6.654 0.922 1.00 0.00 C ATOM 563 O LEU A 93 3.574 -6.198 1.928 1.00 0.00 O ATOM 564 CB LEU A 93 3.625 -5.410 -0.847 1.00 0.00 C ATOM 565 CG LEU A 93 3.546 -4.096 -0.003 1.00 0.00 C ATOM 566 CD1 LEU A 93 3.943 -2.885 -0.858 1.00 0.00 C ATOM 567 CD2 LEU A 93 2.221 -3.751 0.710 1.00 0.00 C ATOM 0 H LEU A 93 2.472 -7.594 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 93 4.930 -6.998 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.415 -5.253 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.687 -5.475 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 93 4.244 -4.315 0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.883 -1.979 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.963 -3.013 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.265 -2.802 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.333 -2.811 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.425 -3.653 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.968 -4.545 1.412 1.00 0.00 H new ATOM 579 N ALA A 94 1.793 -6.995 0.766 1.00 0.00 N ATOM 580 CA ALA A 94 0.743 -6.928 1.740 1.00 0.00 C ATOM 581 C ALA A 94 1.071 -7.665 2.979 1.00 0.00 C ATOM 582 O ALA A 94 0.421 -7.477 4.001 1.00 0.00 O ATOM 583 CB ALA A 94 -0.513 -7.618 1.254 1.00 0.00 C ATOM 0 H ALA A 94 1.453 -7.353 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 94 0.611 -5.860 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.286 -7.547 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.861 -7.138 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.297 -8.667 1.053 1.00 0.00 H new ATOM 589 N ASP A 95 2.100 -8.514 2.893 1.00 0.00 N ATOM 590 CA ASP A 95 2.761 -9.050 4.023 1.00 0.00 C ATOM 591 C ASP A 95 3.184 -7.934 4.914 1.00 0.00 C ATOM 592 O ASP A 95 2.841 -7.884 6.083 1.00 0.00 O ATOM 593 CB ASP A 95 3.964 -9.920 3.599 1.00 0.00 C ATOM 594 CG ASP A 95 5.315 -9.258 3.291 1.00 0.00 C ATOM 595 OD1 ASP A 95 5.423 -8.490 2.304 1.00 0.00 O ATOM 596 OD2 ASP A 95 6.269 -9.531 4.070 1.00 0.00 O ATOM 0 H ASP A 95 2.483 -8.837 2.004 1.00 0.00 H new ATOM 0 HA ASP A 95 2.076 -9.699 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.133 -10.649 4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.665 -10.477 2.711 1.00 0.00 H new ATOM 601 N MET A 96 3.917 -6.973 4.359 1.00 0.00 N ATOM 602 CA MET A 96 4.411 -5.859 5.122 1.00 0.00 C ATOM 603 C MET A 96 3.241 -4.989 5.514 1.00 0.00 C ATOM 604 O MET A 96 3.283 -4.340 6.553 1.00 0.00 O ATOM 605 CB MET A 96 5.474 -5.041 4.355 1.00 0.00 C ATOM 606 CG MET A 96 5.444 -3.513 4.454 1.00 0.00 C ATOM 607 SD MET A 96 4.753 -2.690 3.006 1.00 0.00 S ATOM 608 CE MET A 96 6.314 -2.753 2.082 1.00 0.00 C ATOM 0 H MET A 96 4.177 -6.955 3.373 1.00 0.00 H new ATOM 0 HA MET A 96 4.910 -6.243 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.455 -5.374 4.695 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.395 -5.305 3.300 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.863 -3.229 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 96 6.460 -3.151 4.613 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.114 -2.616 1.019 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.976 -1.961 2.432 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.791 -3.720 2.239 1.00 0.00 H new ATOM 618 N ALA A 97 2.152 -4.958 4.716 1.00 0.00 N ATOM 619 CA ALA A 97 1.052 -4.064 4.972 1.00 0.00 C ATOM 620 C ALA A 97 0.415 -4.293 6.307 1.00 0.00 C ATOM 621 O ALA A 97 -0.100 -3.347 6.900 1.00 0.00 O ATOM 622 CB ALA A 97 -0.077 -4.112 3.930 1.00 0.00 C ATOM 0 H ALA A 97 2.031 -5.550 3.894 1.00 0.00 H new ATOM 0 HA ALA A 97 1.533 -3.087 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.859 -3.405 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.320 -3.846 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.494 -5.118 3.892 1.00 0.00 H new ATOM 628 N VAL A 98 0.451 -5.544 6.815 1.00 0.00 N ATOM 629 CA VAL A 98 -0.119 -5.842 8.092 1.00 0.00 C ATOM 630 C VAL A 98 1.009 -6.015 9.060 1.00 0.00 C ATOM 631 O VAL A 98 0.989 -5.471 10.163 1.00 0.00 O ATOM 632 CB VAL A 98 -0.892 -7.139 8.117 1.00 0.00 C ATOM 633 CG1 VAL A 98 -2.029 -6.999 9.144 1.00 0.00 C ATOM 634 CG2 VAL A 98 -1.381 -7.530 6.712 1.00 0.00 C ATOM 0 H VAL A 98 0.873 -6.343 6.341 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.800 -5.027 8.336 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.248 -7.962 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.603 -7.925 9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.607 -6.795 10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.684 -6.178 8.852 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.933 -8.468 6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.032 -6.748 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.524 -7.652 6.049 1.00 0.00 H new ATOM 644 N ARG A 99 2.010 -6.827 8.655 1.00 0.00 N ATOM 645 CA ARG A 99 2.949 -7.418 9.562 1.00 0.00 C ATOM 646 C ARG A 99 4.085 -6.472 9.865 1.00 0.00 C ATOM 647 O ARG A 99 4.672 -6.563 10.943 1.00 0.00 O ATOM 648 CB ARG A 99 3.552 -8.759 9.053 1.00 0.00 C ATOM 649 CG ARG A 99 2.579 -9.964 8.933 1.00 0.00 C ATOM 650 CD ARG A 99 1.735 -10.098 7.646 1.00 0.00 C ATOM 651 NE ARG A 99 0.926 -11.357 7.714 1.00 0.00 N ATOM 652 CZ ARG A 99 1.327 -12.515 7.104 1.00 0.00 C ATOM 653 NH1 ARG A 99 2.529 -12.599 6.464 1.00 0.00 N ATOM 654 NH2 ARG A 99 0.510 -13.610 7.138 1.00 0.00 N ATOM 0 H ARG A 99 2.168 -7.076 7.679 1.00 0.00 H new ATOM 0 HA ARG A 99 2.373 -7.629 10.463 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.996 -8.582 8.073 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.363 -9.043 9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.165 -10.877 9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.892 -9.922 9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.078 -9.235 7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.385 -10.116 6.771 1.00 0.00 H new ATOM 0 HE ARG A 99 0.047 -11.351 8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.148 -11.789 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.808 -13.472 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.390 -13.560 7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.800 -14.477 6.686 1.00 0.00 H new ATOM 668 N ASP A 100 4.422 -5.541 8.936 1.00 0.00 N ATOM 669 CA ASP A 100 5.485 -4.584 9.104 1.00 0.00 C ATOM 670 C ASP A 100 4.952 -3.183 8.900 1.00 0.00 C ATOM 671 O ASP A 100 5.113 -2.635 7.815 1.00 0.00 O ATOM 672 CB ASP A 100 6.597 -4.821 8.072 1.00 0.00 C ATOM 673 CG ASP A 100 7.921 -4.295 8.609 1.00 0.00 C ATOM 674 OD1 ASP A 100 8.070 -3.053 8.747 1.00 0.00 O ATOM 675 OD2 ASP A 100 8.810 -5.144 8.894 1.00 0.00 O ATOM 0 H ASP A 100 3.939 -5.454 8.042 1.00 0.00 H new ATOM 0 HA ASP A 100 5.884 -4.701 10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.681 -5.885 7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.349 -4.321 7.136 1.00 0.00 H new ATOM 680 N PRO A 101 4.330 -2.545 9.855 1.00 0.00 N ATOM 681 CA PRO A 101 3.635 -1.302 9.632 1.00 0.00 C ATOM 682 C PRO A 101 4.607 -0.159 9.543 1.00 0.00 C ATOM 683 O PRO A 101 4.172 0.940 9.210 1.00 0.00 O ATOM 684 CB PRO A 101 2.704 -1.135 10.837 1.00 0.00 C ATOM 685 CG PRO A 101 3.209 -2.136 11.882 1.00 0.00 C ATOM 686 CD PRO A 101 3.891 -3.212 11.049 1.00 0.00 C ATOM 0 HA PRO A 101 3.081 -1.310 8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.737 -0.115 11.221 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.668 -1.340 10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.904 -1.670 12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.390 -2.546 12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.732 -3.651 11.586 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.203 -4.024 10.815 1.00 0.00 H new ATOM 694 N GLN A 102 5.907 -0.386 9.826 1.00 0.00 N ATOM 695 CA GLN A 102 6.906 0.634 9.698 1.00 0.00 C ATOM 696 C GLN A 102 7.156 0.855 8.243 1.00 0.00 C ATOM 697 O GLN A 102 7.206 1.993 7.779 1.00 0.00 O ATOM 698 CB GLN A 102 8.260 0.229 10.308 1.00 0.00 C ATOM 699 CG GLN A 102 8.205 -0.033 11.815 1.00 0.00 C ATOM 700 CD GLN A 102 9.589 -0.509 12.257 1.00 0.00 C ATOM 701 OE1 GLN A 102 9.770 -1.680 12.613 1.00 0.00 O ATOM 702 NE2 GLN A 102 10.581 0.432 12.226 1.00 0.00 N ATOM 0 H GLN A 102 6.267 -1.285 10.146 1.00 0.00 H new ATOM 0 HA GLN A 102 6.533 1.515 10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.620 -0.669 9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.987 1.017 10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.924 0.874 12.350 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.451 -0.786 12.045 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.372 1.383 11.923 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.530 0.182 12.506 1.00 0.00 H new ATOM 711 N ALA A 103 7.325 -0.251 7.494 1.00 0.00 N ATOM 712 CA ALA A 103 7.657 -0.194 6.102 1.00 0.00 C ATOM 713 C ALA A 103 6.399 0.020 5.323 1.00 0.00 C ATOM 714 O ALA A 103 6.422 0.658 4.269 1.00 0.00 O ATOM 715 CB ALA A 103 8.356 -1.469 5.617 1.00 0.00 C ATOM 0 H ALA A 103 7.230 -1.199 7.859 1.00 0.00 H new ATOM 0 HA ALA A 103 8.355 0.630 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.587 -1.376 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.279 -1.614 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.700 -2.325 5.772 1.00 0.00 H new ATOM 721 N PHE A 104 5.256 -0.484 5.837 1.00 0.00 N ATOM 722 CA PHE A 104 3.990 -0.051 5.293 1.00 0.00 C ATOM 723 C PHE A 104 3.828 1.445 5.288 1.00 0.00 C ATOM 724 O PHE A 104 3.340 1.998 4.306 1.00 0.00 O ATOM 725 CB PHE A 104 2.767 -0.634 6.013 1.00 0.00 C ATOM 726 CG PHE A 104 1.542 -0.298 5.229 1.00 0.00 C ATOM 727 CD1 PHE A 104 1.413 -0.689 3.908 1.00 0.00 C ATOM 728 CD2 PHE A 104 0.522 0.423 5.820 1.00 0.00 C ATOM 729 CE1 PHE A 104 0.289 -0.364 3.182 1.00 0.00 C ATOM 730 CE2 PHE A 104 -0.607 0.752 5.096 1.00 0.00 C ATOM 731 CZ PHE A 104 -0.723 0.358 3.779 1.00 0.00 C ATOM 0 H PHE A 104 5.201 -1.163 6.597 1.00 0.00 H new ATOM 0 HA PHE A 104 4.024 -0.432 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 104 2.867 -1.715 6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.693 -0.227 7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.204 -1.256 3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.608 0.730 6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.200 -0.673 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.400 1.318 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.607 0.615 3.215 1.00 0.00 H new ATOM 741 N GLU A 105 4.245 2.148 6.363 1.00 0.00 N ATOM 742 CA GLU A 105 4.129 3.584 6.402 1.00 0.00 C ATOM 743 C GLU A 105 5.049 4.267 5.431 1.00 0.00 C ATOM 744 O GLU A 105 4.784 5.407 5.060 1.00 0.00 O ATOM 745 CB GLU A 105 4.436 4.179 7.785 1.00 0.00 C ATOM 746 CG GLU A 105 3.252 4.070 8.749 1.00 0.00 C ATOM 747 CD GLU A 105 3.717 4.553 10.115 1.00 0.00 C ATOM 748 OE1 GLU A 105 4.615 3.893 10.702 1.00 0.00 O ATOM 749 OE2 GLU A 105 3.180 5.589 10.588 1.00 0.00 O ATOM 0 H GLU A 105 4.658 1.731 7.197 1.00 0.00 H new ATOM 0 HA GLU A 105 3.087 3.764 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.297 3.667 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.713 5.227 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.415 4.672 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.901 3.040 8.807 1.00 0.00 H new ATOM 756 N GLN A 106 6.138 3.603 4.987 1.00 0.00 N ATOM 757 CA GLN A 106 7.031 4.173 4.010 1.00 0.00 C ATOM 758 C GLN A 106 6.398 4.158 2.657 1.00 0.00 C ATOM 759 O GLN A 106 6.580 5.086 1.872 1.00 0.00 O ATOM 760 CB GLN A 106 8.324 3.366 3.815 1.00 0.00 C ATOM 761 CG GLN A 106 9.296 3.462 4.992 1.00 0.00 C ATOM 762 CD GLN A 106 10.518 2.605 4.664 1.00 0.00 C ATOM 763 OE1 GLN A 106 10.709 1.524 5.234 1.00 0.00 O ATOM 764 NE2 GLN A 106 11.363 3.117 3.719 1.00 0.00 N ATOM 0 H GLN A 106 6.402 2.670 5.304 1.00 0.00 H new ATOM 0 HA GLN A 106 7.248 5.171 4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.067 2.319 3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.826 3.714 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.591 4.498 5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.821 3.113 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.155 4.015 3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.201 2.601 3.452 1.00 0.00 H new ATOM 773 N VAL A 107 5.652 3.078 2.360 1.00 0.00 N ATOM 774 CA VAL A 107 5.007 2.886 1.083 1.00 0.00 C ATOM 775 C VAL A 107 3.957 3.939 0.932 1.00 0.00 C ATOM 776 O VAL A 107 3.811 4.553 -0.124 1.00 0.00 O ATOM 777 CB VAL A 107 4.373 1.511 0.986 1.00 0.00 C ATOM 778 CG1 VAL A 107 3.357 1.414 -0.170 1.00 0.00 C ATOM 779 CG2 VAL A 107 5.514 0.498 0.807 1.00 0.00 C ATOM 0 H VAL A 107 5.489 2.316 3.018 1.00 0.00 H new ATOM 0 HA VAL A 107 5.750 2.962 0.289 1.00 0.00 H new ATOM 0 HB VAL A 107 3.806 1.303 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.931 0.411 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.561 2.142 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.860 1.620 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.100 -0.507 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.067 0.730 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.186 0.551 1.664 1.00 0.00 H new ATOM 789 N VAL A 108 3.217 4.173 2.024 1.00 0.00 N ATOM 790 CA VAL A 108 2.133 5.101 2.086 1.00 0.00 C ATOM 791 C VAL A 108 2.663 6.498 2.000 1.00 0.00 C ATOM 792 O VAL A 108 2.000 7.375 1.458 1.00 0.00 O ATOM 793 CB VAL A 108 1.417 4.891 3.399 1.00 0.00 C ATOM 794 CG1 VAL A 108 0.530 6.082 3.784 1.00 0.00 C ATOM 795 CG2 VAL A 108 0.604 3.597 3.263 1.00 0.00 C ATOM 0 H VAL A 108 3.381 3.692 2.909 1.00 0.00 H new ATOM 0 HA VAL A 108 1.443 4.945 1.256 1.00 0.00 H new ATOM 0 HB VAL A 108 2.143 4.809 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.039 5.878 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.144 6.978 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.224 6.238 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.068 3.405 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.111 3.700 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.276 2.765 3.053 1.00 0.00 H new ATOM 805 N ASN A 109 3.878 6.733 2.523 1.00 0.00 N ATOM 806 CA ASN A 109 4.487 8.037 2.495 1.00 0.00 C ATOM 807 C ASN A 109 4.856 8.399 1.086 1.00 0.00 C ATOM 808 O ASN A 109 4.760 9.560 0.691 1.00 0.00 O ATOM 809 CB ASN A 109 5.768 8.105 3.350 1.00 0.00 C ATOM 810 CG ASN A 109 6.279 9.544 3.412 1.00 0.00 C ATOM 811 OD1 ASN A 109 7.285 9.893 2.782 1.00 0.00 O ATOM 812 ND2 ASN A 109 5.559 10.387 4.213 1.00 0.00 N ATOM 0 H ASN A 109 4.449 6.016 2.971 1.00 0.00 H new ATOM 0 HA ASN A 109 3.754 8.733 2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.563 7.739 4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.534 7.456 2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.844 11.361 4.315 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.737 10.042 4.708 1.00 0.00 H new ATOM 819 N LYS A 110 5.285 7.400 0.290 1.00 0.00 N ATOM 820 CA LYS A 110 5.692 7.640 -1.064 1.00 0.00 C ATOM 821 C LYS A 110 4.513 7.843 -1.960 1.00 0.00 C ATOM 822 O LYS A 110 4.636 8.551 -2.953 1.00 0.00 O ATOM 823 CB LYS A 110 6.478 6.473 -1.677 1.00 0.00 C ATOM 824 CG LYS A 110 7.910 6.346 -1.138 1.00 0.00 C ATOM 825 CD LYS A 110 8.681 5.145 -1.710 1.00 0.00 C ATOM 826 CE LYS A 110 8.932 5.228 -3.221 1.00 0.00 C ATOM 827 NZ LYS A 110 9.694 4.048 -3.684 1.00 0.00 N ATOM 0 H LYS A 110 5.350 6.425 0.584 1.00 0.00 H new ATOM 0 HA LYS A 110 6.321 8.528 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.942 5.544 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.516 6.600 -2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.457 7.260 -1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.874 6.260 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.639 5.063 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.125 4.233 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.981 5.286 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.483 6.139 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.856 4.119 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.609 4.010 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.154 3.183 -3.478 1.00 0.00 H new ATOM 841 N VAL A 111 3.361 7.205 -1.661 1.00 0.00 N ATOM 842 CA VAL A 111 2.133 7.341 -2.416 1.00 0.00 C ATOM 843 C VAL A 111 1.292 8.396 -1.814 1.00 0.00 C ATOM 844 O VAL A 111 0.235 8.729 -2.328 1.00 0.00 O ATOM 845 CB VAL A 111 1.423 6.004 -2.517 1.00 0.00 C ATOM 846 CG1 VAL A 111 0.156 6.054 -3.390 1.00 0.00 C ATOM 847 CG2 VAL A 111 2.404 5.020 -3.166 1.00 0.00 C ATOM 0 H VAL A 111 3.275 6.571 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 111 2.357 7.650 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 111 1.114 5.709 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.304 5.066 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.549 6.770 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.423 6.362 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.931 4.042 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.682 5.383 -4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 111 3.297 4.935 -2.547 1.00 0.00 H new ATOM 857 N LYS A 112 1.768 9.038 -0.753 1.00 0.00 N ATOM 858 CA LYS A 112 1.198 10.300 -0.441 1.00 0.00 C ATOM 859 C LYS A 112 1.819 11.201 -1.438 1.00 0.00 C ATOM 860 O LYS A 112 1.118 11.993 -2.049 1.00 0.00 O ATOM 861 CB LYS A 112 1.453 10.696 1.029 1.00 0.00 C ATOM 862 CG LYS A 112 1.137 12.150 1.404 1.00 0.00 C ATOM 863 CD LYS A 112 2.363 13.077 1.376 1.00 0.00 C ATOM 864 CE LYS A 112 3.377 12.806 2.493 1.00 0.00 C ATOM 865 NZ LYS A 112 4.518 13.740 2.385 1.00 0.00 N ATOM 0 H LYS A 112 2.510 8.710 -0.135 1.00 0.00 H new ATOM 0 HA LYS A 112 0.110 10.326 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.861 10.041 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.501 10.503 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.384 12.537 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.699 12.171 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.863 12.972 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.025 14.111 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.897 12.918 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.732 11.778 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.198 13.546 3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.984 13.613 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.175 14.718 2.467 1.00 0.00 H new ATOM 879 N GLU A 113 3.127 11.049 -1.687 1.00 0.00 N ATOM 880 CA GLU A 113 3.805 11.891 -2.623 1.00 0.00 C ATOM 881 C GLU A 113 3.459 11.635 -4.038 1.00 0.00 C ATOM 882 O GLU A 113 3.665 12.498 -4.885 1.00 0.00 O ATOM 883 CB GLU A 113 5.307 11.661 -2.622 1.00 0.00 C ATOM 884 CG GLU A 113 6.019 13.003 -2.612 1.00 0.00 C ATOM 885 CD GLU A 113 6.073 13.519 -1.182 1.00 0.00 C ATOM 886 OE1 GLU A 113 6.601 12.782 -0.306 1.00 0.00 O ATOM 887 OE2 GLU A 113 5.593 14.657 -0.941 1.00 0.00 O ATOM 0 H GLU A 113 3.717 10.345 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 113 3.500 12.885 -2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 113 5.597 11.076 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 113 5.600 11.087 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.027 12.898 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 113 5.494 13.714 -3.250 1.00 0.00 H new ATOM 894 N ALA A 114 2.973 10.428 -4.338 1.00 0.00 N ATOM 895 CA ALA A 114 2.790 10.048 -5.703 1.00 0.00 C ATOM 896 C ALA A 114 1.392 10.345 -6.101 1.00 0.00 C ATOM 897 O ALA A 114 1.040 10.146 -7.262 1.00 0.00 O ATOM 898 CB ALA A 114 3.026 8.562 -5.950 1.00 0.00 C ATOM 0 H ALA A 114 2.709 9.721 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 114 3.520 10.611 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.871 8.340 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.048 8.305 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.328 7.978 -5.350 1.00 0.00 H new ATOM 904 N LEU A 115 0.559 10.807 -5.142 1.00 0.00 N ATOM 905 CA LEU A 115 -0.796 11.214 -5.496 1.00 0.00 C ATOM 906 C LEU A 115 -0.940 12.651 -5.299 1.00 0.00 C ATOM 907 O LEU A 115 -1.309 13.424 -6.180 1.00 0.00 O ATOM 908 CB LEU A 115 -1.964 10.673 -4.650 1.00 0.00 C ATOM 909 CG LEU A 115 -1.841 9.177 -4.545 1.00 0.00 C ATOM 910 CD1 LEU A 115 -2.684 8.634 -3.382 1.00 0.00 C ATOM 911 CD2 LEU A 115 -2.171 8.444 -5.851 1.00 0.00 C ATOM 0 H LEU A 115 0.799 10.901 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.875 10.825 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.950 11.123 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.916 10.941 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.789 8.975 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.576 7.551 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.343 9.078 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.732 8.887 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.062 7.370 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.197 8.667 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.489 8.773 -6.635 1.00 0.00 H new ATOM 923 N GLN A 116 -0.733 12.961 -4.018 1.00 0.00 N ATOM 924 CA GLN A 116 -1.436 14.041 -3.394 1.00 0.00 C ATOM 925 C GLN A 116 -0.553 15.185 -3.627 1.00 0.00 C ATOM 926 O GLN A 116 -0.979 16.330 -3.772 1.00 0.00 O ATOM 927 CB GLN A 116 -1.584 13.814 -1.877 1.00 0.00 C ATOM 928 CG GLN A 116 -2.419 14.868 -1.147 1.00 0.00 C ATOM 929 CD GLN A 116 -2.346 14.553 0.347 1.00 0.00 C ATOM 930 OE1 GLN A 116 -1.819 15.347 1.136 1.00 0.00 O ATOM 931 NE2 GLN A 116 -2.887 13.356 0.728 1.00 0.00 N ATOM 0 H GLN A 116 -0.081 12.469 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 116 -2.445 14.162 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -2.036 12.836 -1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.590 13.785 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -2.035 15.868 -1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -3.452 14.847 -1.494 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -3.309 12.742 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -2.869 13.077 1.709 1.00 0.00 H new ATOM 940 N VAL A 117 0.736 14.832 -3.678 1.00 0.00 N ATOM 941 CA VAL A 117 1.767 15.798 -3.792 1.00 0.00 C ATOM 942 C VAL A 117 2.308 15.602 -5.159 1.00 0.00 C ATOM 943 O VAL A 117 3.096 16.424 -5.624 1.00 0.00 O ATOM 944 CB VAL A 117 2.846 15.617 -2.759 1.00 0.00 C ATOM 945 CG1 VAL A 117 3.605 16.944 -2.571 1.00 0.00 C ATOM 946 CG2 VAL A 117 2.176 15.148 -1.455 1.00 0.00 C ATOM 0 H VAL A 117 1.064 13.867 -3.640 1.00 0.00 H new ATOM 0 HA VAL A 117 1.385 16.805 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 117 3.575 14.869 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.387 16.813 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 117 4.055 17.243 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.911 17.716 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.935 15.008 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.458 15.899 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.659 14.205 -1.630 1.00 0.00 H new ATOM 956 N GLN A 118 1.879 14.513 -5.854 1.00 0.00 N ATOM 957 CA GLN A 118 2.340 14.396 -7.209 1.00 0.00 C ATOM 958 C GLN A 118 1.654 15.551 -7.941 1.00 0.00 C ATOM 959 O GLN A 118 0.409 15.692 -7.793 1.00 0.00 O ATOM 960 CB GLN A 118 1.950 13.069 -7.892 1.00 0.00 C ATOM 961 CG GLN A 118 1.458 13.086 -9.351 1.00 0.00 C ATOM 962 CD GLN A 118 2.612 13.455 -10.287 1.00 0.00 C ATOM 963 OE1 GLN A 118 2.518 14.413 -11.064 1.00 0.00 O ATOM 964 NE2 GLN A 118 3.720 12.657 -10.207 1.00 0.00 N ATOM 965 OXT GLN A 118 2.371 16.321 -8.635 1.00 0.00 O ATOM 0 H GLN A 118 1.265 13.774 -5.510 1.00 0.00 H new ATOM 0 HA GLN A 118 3.429 14.421 -7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.818 12.411 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.168 12.608 -7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.058 12.108 -9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.645 13.804 -9.461 1.00 0.00 H new ATOM 0 HE21 GLN A 118 3.742 11.880 -9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 118 4.524 12.839 -10.808 1.00 0.00 H new TER 974 GLN A 118