USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 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 110 TYR OH : rot -120:sc= 1.35 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.588 K(o=1.9,f=-5.3!) USER MOD Set 2.1: A 116 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 120 LYS NZ :NH3+ -168:sc= 0.725 (180deg=0.467) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.422 USER MOD Single : A 97 LYS NZ :NH3+ 164:sc=-0.00902 (180deg=-0.163) USER MOD Single : A 101 GLN : amide:sc= 0.138 X(o=0.14,f=-0.16) USER MOD Single : A 108 GLN : amide:sc= 1.03 K(o=1,f=-1.1) USER MOD Single : A 109 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.14) USER MOD Single : A 113 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.155) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -174:sc= 1.17 (180deg=0.859) USER MOD Single : A 129 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.22) USER MOD Single : A 130 CYS SG : rot 180:sc= 0.00169 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 136 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.28) USER MOD Single : A 137 HIS : no HE2:sc= 0.418 K(o=0.42,f=-7.7!) USER MOD Single : A 139 ASN : amide:sc= 0.267 X(o=0.27,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 7.748 -3.726 -5.959 1.00 0.00 N ATOM 2 CA LEU A 90 8.663 -4.590 -6.723 1.00 0.00 C ATOM 3 C LEU A 90 9.324 -3.780 -7.836 1.00 0.00 C ATOM 4 O LEU A 90 8.699 -2.885 -8.401 1.00 0.00 O ATOM 5 CB LEU A 90 7.893 -5.791 -7.299 1.00 0.00 C ATOM 6 CG LEU A 90 8.847 -6.787 -7.985 1.00 0.00 C ATOM 7 CD1 LEU A 90 9.826 -7.380 -6.964 1.00 0.00 C ATOM 8 CD2 LEU A 90 8.025 -7.917 -8.609 1.00 0.00 C ATOM 0 HA LEU A 90 9.442 -4.971 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.350 -6.295 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.151 -5.441 -8.017 1.00 0.00 H new ATOM 0 HG LEU A 90 9.414 -6.263 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.493 -8.082 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.413 -6.579 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.269 -7.901 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.693 -8.627 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.459 -8.428 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.336 -7.502 -9.345 1.00 0.00 H new ATOM 22 N ILE A 91 10.588 -4.094 -8.145 1.00 0.00 N ATOM 23 CA ILE A 91 11.329 -3.393 -9.183 1.00 0.00 C ATOM 24 C ILE A 91 10.647 -3.609 -10.535 1.00 0.00 C ATOM 25 O ILE A 91 10.259 -4.730 -10.864 1.00 0.00 O ATOM 26 CB ILE A 91 12.779 -3.913 -9.222 1.00 0.00 C ATOM 27 CG1 ILE A 91 13.449 -3.780 -7.836 1.00 0.00 C ATOM 28 CG2 ILE A 91 13.582 -3.129 -10.268 1.00 0.00 C ATOM 29 CD1 ILE A 91 13.350 -2.345 -7.307 1.00 0.00 C ATOM 0 H ILE A 91 11.116 -4.835 -7.684 1.00 0.00 H new ATOM 0 HA ILE A 91 11.345 -2.325 -8.965 1.00 0.00 H new ATOM 0 HB ILE A 91 12.761 -4.968 -9.494 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.973 -4.463 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.497 -4.073 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.607 -3.500 -10.293 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.126 -3.259 -11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.585 -2.071 -10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.830 -2.283 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.848 -1.667 -8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.301 -2.063 -7.214 1.00 0.00 H new ATOM 41 N LYS A 92 10.506 -2.527 -11.314 1.00 0.00 N ATOM 42 CA LYS A 92 9.891 -2.591 -12.632 1.00 0.00 C ATOM 43 C LYS A 92 10.612 -3.635 -13.480 1.00 0.00 C ATOM 44 O LYS A 92 11.840 -3.645 -13.528 1.00 0.00 O ATOM 45 CB LYS A 92 9.961 -1.208 -13.293 1.00 0.00 C ATOM 46 CG LYS A 92 11.421 -0.849 -13.618 1.00 0.00 C ATOM 47 CD LYS A 92 11.552 0.659 -13.860 1.00 0.00 C ATOM 48 CE LYS A 92 10.751 1.064 -15.103 1.00 0.00 C ATOM 49 NZ LYS A 92 10.987 2.478 -15.447 1.00 0.00 N ATOM 0 H LYS A 92 10.815 -1.593 -11.044 1.00 0.00 H new ATOM 0 HA LYS A 92 8.844 -2.882 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.365 -1.202 -14.206 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.533 -0.457 -12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.069 -1.151 -12.795 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.750 -1.397 -14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.191 1.208 -12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.601 0.924 -13.991 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.032 0.430 -15.944 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.688 0.902 -14.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.433 2.727 -16.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.696 3.082 -14.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.998 2.624 -15.641 1.00 0.00 H new ATOM 63 N GLY A 93 9.852 -4.517 -14.141 1.00 0.00 N ATOM 64 CA GLY A 93 10.435 -5.570 -14.956 1.00 0.00 C ATOM 65 C GLY A 93 11.355 -6.429 -14.087 1.00 0.00 C ATOM 66 O GLY A 93 12.557 -6.180 -14.045 1.00 0.00 O ATOM 0 H GLY A 93 8.832 -4.516 -14.122 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.649 -6.186 -15.393 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.997 -5.137 -15.783 1.00 0.00 H new ATOM 70 N PRO A 94 10.790 -7.432 -13.379 1.00 0.00 N ATOM 71 CA PRO A 94 11.546 -8.284 -12.478 1.00 0.00 C ATOM 72 C PRO A 94 12.673 -9.018 -13.217 1.00 0.00 C ATOM 73 O PRO A 94 12.508 -10.159 -13.639 1.00 0.00 O ATOM 74 CB PRO A 94 10.524 -9.251 -11.858 1.00 0.00 C ATOM 75 CG PRO A 94 9.153 -8.889 -12.443 1.00 0.00 C ATOM 76 CD PRO A 94 9.377 -7.747 -13.433 1.00 0.00 C ATOM 0 HA PRO A 94 12.047 -7.706 -11.702 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.781 -10.285 -12.089 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.516 -9.160 -10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.707 -9.750 -12.942 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.465 -8.586 -11.654 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.083 -8.042 -14.440 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.775 -6.878 -13.167 1.00 0.00 H new ATOM 84 N TRP A 95 13.821 -8.337 -13.357 1.00 0.00 N ATOM 85 CA TRP A 95 15.008 -8.882 -14.004 1.00 0.00 C ATOM 86 C TRP A 95 14.699 -9.322 -15.435 1.00 0.00 C ATOM 87 O TRP A 95 14.317 -10.467 -15.679 1.00 0.00 O ATOM 88 CB TRP A 95 15.578 -10.030 -13.168 1.00 0.00 C ATOM 89 CG TRP A 95 16.525 -9.579 -12.106 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.310 -9.613 -10.781 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.848 -9.000 -12.270 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.394 -9.112 -10.096 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.385 -8.710 -10.977 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.651 -8.685 -13.383 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.651 -8.141 -10.806 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.921 -8.105 -13.218 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.421 -7.834 -11.932 1.00 0.00 C ATOM 0 H TRP A 95 13.945 -7.383 -13.018 1.00 0.00 H new ATOM 0 HA TRP A 95 15.766 -8.101 -14.068 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.756 -10.574 -12.703 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.091 -10.730 -13.828 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.409 -9.983 -10.316 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.459 -9.046 -9.080 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.286 -8.892 -14.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 20.030 -7.941 -9.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.517 -7.866 -14.086 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.398 -7.389 -11.814 1.00 0.00 H new ATOM 108 N THR A 96 14.879 -8.396 -16.382 1.00 0.00 N ATOM 109 CA THR A 96 14.635 -8.664 -17.788 1.00 0.00 C ATOM 110 C THR A 96 15.795 -9.474 -18.364 1.00 0.00 C ATOM 111 O THR A 96 16.899 -9.449 -17.823 1.00 0.00 O ATOM 112 CB THR A 96 14.479 -7.335 -18.544 1.00 0.00 C ATOM 113 OG1 THR A 96 15.741 -6.716 -18.684 1.00 0.00 O ATOM 114 CG2 THR A 96 13.540 -6.401 -17.776 1.00 0.00 C ATOM 0 H THR A 96 15.197 -7.446 -16.189 1.00 0.00 H new ATOM 0 HA THR A 96 13.717 -9.241 -17.898 1.00 0.00 H new ATOM 0 HB THR A 96 14.059 -7.537 -19.529 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.639 -5.870 -19.168 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.436 -5.462 -18.320 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.562 -6.872 -17.674 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.952 -6.203 -16.787 1.00 0.00 H new ATOM 122 N LYS A 97 15.545 -10.187 -19.469 1.00 0.00 N ATOM 123 CA LYS A 97 16.575 -10.987 -20.122 1.00 0.00 C ATOM 124 C LYS A 97 17.745 -10.084 -20.538 1.00 0.00 C ATOM 125 O LYS A 97 18.891 -10.520 -20.561 1.00 0.00 O ATOM 126 CB LYS A 97 15.971 -11.699 -21.344 1.00 0.00 C ATOM 127 CG LYS A 97 16.445 -13.159 -21.403 1.00 0.00 C ATOM 128 CD LYS A 97 17.971 -13.218 -21.568 1.00 0.00 C ATOM 129 CE LYS A 97 18.406 -14.643 -21.929 1.00 0.00 C ATOM 130 NZ LYS A 97 18.048 -14.979 -23.319 1.00 0.00 N ATOM 0 H LYS A 97 14.634 -10.223 -19.927 1.00 0.00 H new ATOM 0 HA LYS A 97 16.952 -11.741 -19.431 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.883 -11.665 -21.291 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.262 -11.179 -22.256 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.150 -13.681 -20.493 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.962 -13.672 -22.235 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.288 -12.524 -22.347 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.457 -12.904 -20.644 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.483 -14.741 -21.795 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.935 -15.352 -21.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.579 -15.821 -23.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.028 -15.174 -23.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.284 -14.180 -23.941 1.00 0.00 H new ATOM 144 N GLU A 98 17.444 -8.822 -20.864 1.00 0.00 N ATOM 145 CA GLU A 98 18.457 -7.858 -21.260 1.00 0.00 C ATOM 146 C GLU A 98 19.348 -7.542 -20.060 1.00 0.00 C ATOM 147 O GLU A 98 20.574 -7.583 -20.163 1.00 0.00 O ATOM 148 CB GLU A 98 17.770 -6.593 -21.783 1.00 0.00 C ATOM 149 CG GLU A 98 18.820 -5.593 -22.278 1.00 0.00 C ATOM 150 CD GLU A 98 18.155 -4.353 -22.863 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.206 -3.859 -22.217 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.609 -3.923 -23.945 1.00 0.00 O ATOM 0 H GLU A 98 16.495 -8.449 -20.859 1.00 0.00 H new ATOM 0 HA GLU A 98 19.081 -8.268 -22.055 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.088 -6.848 -22.594 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.170 -6.142 -20.993 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.472 -5.306 -21.453 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.449 -6.064 -23.033 1.00 0.00 H new ATOM 159 N GLU A 99 18.725 -7.231 -18.918 1.00 0.00 N ATOM 160 CA GLU A 99 19.455 -6.929 -17.700 1.00 0.00 C ATOM 161 C GLU A 99 20.302 -8.143 -17.307 1.00 0.00 C ATOM 162 O GLU A 99 21.458 -7.998 -16.912 1.00 0.00 O ATOM 163 CB GLU A 99 18.459 -6.565 -16.593 1.00 0.00 C ATOM 164 CG GLU A 99 19.131 -5.629 -15.587 1.00 0.00 C ATOM 165 CD GLU A 99 18.289 -5.463 -14.326 1.00 0.00 C ATOM 166 OE1 GLU A 99 17.103 -5.868 -14.360 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.846 -4.933 -13.346 1.00 0.00 O ATOM 0 H GLU A 99 17.711 -7.184 -18.821 1.00 0.00 H new ATOM 0 HA GLU A 99 20.121 -6.081 -17.855 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.581 -6.083 -17.023 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.113 -7.468 -16.090 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.112 -6.023 -15.321 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.293 -4.655 -16.048 1.00 0.00 H new ATOM 174 N ASP A 100 19.720 -9.340 -17.429 1.00 0.00 N ATOM 175 CA ASP A 100 20.414 -10.578 -17.118 1.00 0.00 C ATOM 176 C ASP A 100 21.622 -10.742 -18.039 1.00 0.00 C ATOM 177 O ASP A 100 22.710 -11.089 -17.582 1.00 0.00 O ATOM 178 CB ASP A 100 19.445 -11.754 -17.280 1.00 0.00 C ATOM 179 CG ASP A 100 18.399 -11.767 -16.180 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.773 -11.459 -15.031 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.237 -12.089 -16.507 1.00 0.00 O ATOM 0 H ASP A 100 18.759 -9.470 -17.745 1.00 0.00 H new ATOM 0 HA ASP A 100 20.770 -10.553 -16.088 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.953 -11.691 -18.251 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.002 -12.691 -17.265 1.00 0.00 H new ATOM 186 N GLN A 101 21.434 -10.488 -19.339 1.00 0.00 N ATOM 187 CA GLN A 101 22.513 -10.591 -20.309 1.00 0.00 C ATOM 188 C GLN A 101 23.643 -9.639 -19.916 1.00 0.00 C ATOM 189 O GLN A 101 24.820 -9.993 -20.013 1.00 0.00 O ATOM 190 CB GLN A 101 21.972 -10.267 -21.710 1.00 0.00 C ATOM 191 CG GLN A 101 23.080 -10.411 -22.761 1.00 0.00 C ATOM 192 CD GLN A 101 23.634 -11.833 -22.793 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.079 -12.701 -23.461 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.729 -12.068 -22.069 1.00 0.00 N ATOM 0 H GLN A 101 20.538 -10.209 -19.738 1.00 0.00 H new ATOM 0 HA GLN A 101 22.911 -11.606 -20.322 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.145 -10.936 -21.951 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.576 -9.252 -21.727 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.688 -10.149 -23.744 1.00 0.00 H new ATOM 0 HG3 GLN A 101 23.885 -9.710 -22.542 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.155 -11.314 -21.530 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.140 -13.001 -22.055 1.00 0.00 H new ATOM 203 N ARG A 102 23.280 -8.432 -19.466 1.00 0.00 N ATOM 204 CA ARG A 102 24.254 -7.442 -19.043 1.00 0.00 C ATOM 205 C ARG A 102 25.028 -7.966 -17.827 1.00 0.00 C ATOM 206 O ARG A 102 26.246 -7.826 -17.769 1.00 0.00 O ATOM 207 CB ARG A 102 23.532 -6.127 -18.731 1.00 0.00 C ATOM 208 CG ARG A 102 24.548 -5.030 -18.402 1.00 0.00 C ATOM 209 CD ARG A 102 23.873 -3.660 -18.521 1.00 0.00 C ATOM 210 NE ARG A 102 24.657 -2.616 -17.843 1.00 0.00 N ATOM 211 CZ ARG A 102 25.718 -2.005 -18.400 1.00 0.00 C ATOM 212 NH1 ARG A 102 26.181 -2.401 -19.593 1.00 0.00 N ATOM 213 NH2 ARG A 102 26.310 -0.995 -17.755 1.00 0.00 N ATOM 0 H ARG A 102 22.311 -8.125 -19.389 1.00 0.00 H new ATOM 0 HA ARG A 102 24.974 -7.255 -19.840 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.925 -5.826 -19.585 1.00 0.00 H new ATOM 0 HB3 ARG A 102 22.853 -6.267 -17.890 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.937 -5.170 -17.393 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.397 -5.090 -19.082 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.753 -3.402 -19.573 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.874 -3.706 -18.088 1.00 0.00 H new ATOM 0 HE ARG A 102 24.381 -2.341 -16.900 1.00 0.00 H new ATOM 0 HH11 ARG A 102 25.728 -3.171 -20.086 1.00 0.00 H new ATOM 0 HH12 ARG A 102 26.986 -1.933 -20.009 1.00 0.00 H new ATOM 0 HH21 ARG A 102 25.957 -0.693 -16.847 1.00 0.00 H new ATOM 0 HH22 ARG A 102 27.115 -0.527 -18.171 1.00 0.00 H new ATOM 227 N VAL A 103 24.322 -8.578 -16.859 1.00 0.00 N ATOM 228 CA VAL A 103 24.967 -9.137 -15.673 1.00 0.00 C ATOM 229 C VAL A 103 25.981 -10.198 -16.093 1.00 0.00 C ATOM 230 O VAL A 103 27.118 -10.176 -15.635 1.00 0.00 O ATOM 231 CB VAL A 103 23.911 -9.738 -14.729 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.582 -10.661 -13.704 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.193 -8.618 -13.985 1.00 0.00 C ATOM 0 H VAL A 103 23.309 -8.694 -16.881 1.00 0.00 H new ATOM 0 HA VAL A 103 25.490 -8.344 -15.139 1.00 0.00 H new ATOM 0 HB VAL A 103 23.198 -10.310 -15.322 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.825 -11.080 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.097 -11.469 -14.224 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.302 -10.091 -13.117 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.445 -9.046 -13.317 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.916 -8.047 -13.403 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.704 -7.960 -14.703 1.00 0.00 H new ATOM 243 N ILE A 104 25.567 -11.127 -16.964 1.00 0.00 N ATOM 244 CA ILE A 104 26.446 -12.190 -17.433 1.00 0.00 C ATOM 245 C ILE A 104 27.733 -11.583 -17.997 1.00 0.00 C ATOM 246 O ILE A 104 28.829 -11.988 -17.613 1.00 0.00 O ATOM 247 CB ILE A 104 25.713 -13.034 -18.494 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.636 -13.897 -17.816 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.717 -13.941 -19.222 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.622 -14.395 -18.849 1.00 0.00 C ATOM 0 H ILE A 104 24.626 -11.158 -17.355 1.00 0.00 H new ATOM 0 HA ILE A 104 26.715 -12.843 -16.603 1.00 0.00 H new ATOM 0 HB ILE A 104 25.241 -12.368 -19.216 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.103 -14.746 -17.317 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.126 -13.316 -17.047 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.194 -14.535 -19.971 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.474 -13.327 -19.710 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.196 -14.604 -18.502 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.867 -15.004 -18.353 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.142 -13.542 -19.329 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.134 -14.994 -19.602 1.00 0.00 H new ATOM 262 N GLU A 105 27.594 -10.612 -18.906 1.00 0.00 N ATOM 263 CA GLU A 105 28.737 -9.961 -19.531 1.00 0.00 C ATOM 264 C GLU A 105 29.632 -9.310 -18.469 1.00 0.00 C ATOM 265 O GLU A 105 30.847 -9.507 -18.475 1.00 0.00 O ATOM 266 CB GLU A 105 28.217 -8.915 -20.532 1.00 0.00 C ATOM 267 CG GLU A 105 29.383 -8.175 -21.208 1.00 0.00 C ATOM 268 CD GLU A 105 30.252 -9.119 -22.035 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.700 -10.126 -22.526 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.457 -8.808 -22.162 1.00 0.00 O ATOM 0 H GLU A 105 26.690 -10.261 -19.224 1.00 0.00 H new ATOM 0 HA GLU A 105 29.342 -10.698 -20.059 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.604 -9.404 -21.289 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.577 -8.199 -20.016 1.00 0.00 H new ATOM 0 HG2 GLU A 105 28.990 -7.387 -21.850 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.995 -7.690 -20.448 1.00 0.00 H new ATOM 277 N LEU A 106 29.032 -8.530 -17.561 1.00 0.00 N ATOM 278 CA LEU A 106 29.780 -7.836 -16.520 1.00 0.00 C ATOM 279 C LEU A 106 30.558 -8.831 -15.660 1.00 0.00 C ATOM 280 O LEU A 106 31.740 -8.624 -15.400 1.00 0.00 O ATOM 281 CB LEU A 106 28.817 -7.017 -15.650 1.00 0.00 C ATOM 282 CG LEU A 106 28.315 -5.779 -16.413 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.146 -5.157 -15.646 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.439 -4.745 -16.542 1.00 0.00 C ATOM 0 H LEU A 106 28.026 -8.367 -17.532 1.00 0.00 H new ATOM 0 HA LEU A 106 30.496 -7.163 -16.991 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.970 -7.636 -15.354 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.320 -6.707 -14.734 1.00 0.00 H new ATOM 0 HG LEU A 106 27.992 -6.081 -17.409 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.786 -4.279 -16.182 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.340 -5.885 -15.559 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.479 -4.863 -14.651 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.071 -3.874 -17.084 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.770 -4.442 -15.549 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.276 -5.183 -17.085 1.00 0.00 H new ATOM 296 N VAL A 107 29.901 -9.908 -15.215 1.00 0.00 N ATOM 297 CA VAL A 107 30.540 -10.905 -14.369 1.00 0.00 C ATOM 298 C VAL A 107 31.671 -11.598 -15.130 1.00 0.00 C ATOM 299 O VAL A 107 32.651 -12.020 -14.526 1.00 0.00 O ATOM 300 CB VAL A 107 29.494 -11.918 -13.885 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.197 -13.104 -13.220 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.563 -11.249 -12.868 1.00 0.00 C ATOM 0 H VAL A 107 28.924 -10.106 -15.431 1.00 0.00 H new ATOM 0 HA VAL A 107 30.975 -10.416 -13.497 1.00 0.00 H new ATOM 0 HB VAL A 107 28.913 -12.269 -14.738 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.453 -13.822 -12.877 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.860 -13.584 -13.940 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.780 -12.751 -12.369 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.821 -11.970 -12.525 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.146 -10.897 -12.017 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.059 -10.404 -13.337 1.00 0.00 H new ATOM 312 N GLN A 108 31.543 -11.711 -16.455 1.00 0.00 N ATOM 313 CA GLN A 108 32.574 -12.336 -17.268 1.00 0.00 C ATOM 314 C GLN A 108 33.855 -11.504 -17.189 1.00 0.00 C ATOM 315 O GLN A 108 34.954 -12.030 -17.348 1.00 0.00 O ATOM 316 CB GLN A 108 32.084 -12.441 -18.721 1.00 0.00 C ATOM 317 CG GLN A 108 32.688 -13.678 -19.391 1.00 0.00 C ATOM 318 CD GLN A 108 32.052 -14.956 -18.852 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.710 -15.740 -18.174 1.00 0.00 O ATOM 320 NE2 GLN A 108 30.771 -15.162 -19.156 1.00 0.00 N ATOM 0 H GLN A 108 30.735 -11.377 -16.981 1.00 0.00 H new ATOM 0 HA GLN A 108 32.785 -13.339 -16.897 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.996 -12.501 -18.743 1.00 0.00 H new ATOM 0 HB3 GLN A 108 32.365 -11.545 -19.274 1.00 0.00 H new ATOM 0 HG2 GLN A 108 32.540 -13.621 -20.469 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.764 -13.701 -19.217 1.00 0.00 H new ATOM 0 HE21 GLN A 108 30.266 -14.481 -19.723 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.296 -16.000 -18.822 1.00 0.00 H new ATOM 329 N LYS A 109 33.695 -10.196 -16.947 1.00 0.00 N ATOM 330 CA LYS A 109 34.807 -9.268 -16.865 1.00 0.00 C ATOM 331 C LYS A 109 35.319 -9.164 -15.424 1.00 0.00 C ATOM 332 O LYS A 109 36.495 -9.410 -15.164 1.00 0.00 O ATOM 333 CB LYS A 109 34.324 -7.900 -17.379 1.00 0.00 C ATOM 334 CG LYS A 109 35.228 -7.406 -18.519 1.00 0.00 C ATOM 335 CD LYS A 109 34.416 -6.536 -19.486 1.00 0.00 C ATOM 336 CE LYS A 109 33.576 -7.433 -20.405 1.00 0.00 C ATOM 337 NZ LYS A 109 32.811 -6.639 -21.379 1.00 0.00 N ATOM 0 H LYS A 109 32.784 -9.760 -16.804 1.00 0.00 H new ATOM 0 HA LYS A 109 35.637 -9.621 -17.477 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.295 -7.979 -17.730 1.00 0.00 H new ATOM 0 HB3 LYS A 109 34.328 -7.176 -16.564 1.00 0.00 H new ATOM 0 HG2 LYS A 109 36.061 -6.833 -18.112 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.655 -8.256 -19.051 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.767 -5.862 -18.927 1.00 0.00 H new ATOM 0 HD3 LYS A 109 35.085 -5.914 -20.081 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.229 -8.128 -20.933 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.892 -8.032 -19.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 32.001 -7.195 -21.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.467 -5.770 -20.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.424 -6.390 -22.182 1.00 0.00 H new ATOM 351 N TYR A 110 34.434 -8.785 -14.492 1.00 0.00 N ATOM 352 CA TYR A 110 34.804 -8.599 -13.094 1.00 0.00 C ATOM 353 C TYR A 110 34.906 -9.943 -12.373 1.00 0.00 C ATOM 354 O TYR A 110 35.976 -10.302 -11.881 1.00 0.00 O ATOM 355 CB TYR A 110 33.762 -7.705 -12.414 1.00 0.00 C ATOM 356 CG TYR A 110 33.809 -6.265 -12.881 1.00 0.00 C ATOM 357 CD1 TYR A 110 34.850 -5.422 -12.451 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.813 -5.766 -13.740 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.893 -4.085 -12.878 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.858 -4.429 -14.166 1.00 0.00 C ATOM 361 CZ TYR A 110 33.896 -3.588 -13.733 1.00 0.00 C ATOM 362 OH TYR A 110 33.933 -2.287 -14.137 1.00 0.00 O ATOM 0 H TYR A 110 33.450 -8.601 -14.690 1.00 0.00 H new ATOM 0 HA TYR A 110 35.783 -8.121 -13.045 1.00 0.00 H new ATOM 0 HB2 TYR A 110 32.768 -8.109 -12.605 1.00 0.00 H new ATOM 0 HB3 TYR A 110 33.917 -7.735 -11.335 1.00 0.00 H new ATOM 0 HD1 TYR A 110 35.616 -5.803 -11.792 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.013 -6.412 -14.072 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.693 -3.439 -12.549 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.094 -4.047 -14.827 1.00 0.00 H new ATOM 0 HH TYR A 110 33.117 -1.830 -13.844 1.00 0.00 H new ATOM 372 N GLY A 111 33.787 -10.670 -12.298 1.00 0.00 N ATOM 373 CA GLY A 111 33.724 -11.952 -11.606 1.00 0.00 C ATOM 374 C GLY A 111 32.523 -11.961 -10.661 1.00 0.00 C ATOM 375 O GLY A 111 31.795 -10.971 -10.584 1.00 0.00 O ATOM 0 H GLY A 111 32.902 -10.383 -12.716 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.638 -12.764 -12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.643 -12.120 -11.045 1.00 0.00 H new ATOM 379 N PRO A 112 32.311 -13.076 -9.936 1.00 0.00 N ATOM 380 CA PRO A 112 31.214 -13.213 -8.987 1.00 0.00 C ATOM 381 C PRO A 112 31.494 -12.410 -7.698 1.00 0.00 C ATOM 382 O PRO A 112 31.182 -12.863 -6.597 1.00 0.00 O ATOM 383 CB PRO A 112 31.129 -14.721 -8.707 1.00 0.00 C ATOM 384 CG PRO A 112 32.456 -15.326 -9.184 1.00 0.00 C ATOM 385 CD PRO A 112 33.142 -14.257 -10.036 1.00 0.00 C ATOM 0 HA PRO A 112 30.275 -12.820 -9.378 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.975 -14.911 -7.645 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.287 -15.167 -9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.081 -15.606 -8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.282 -16.232 -9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.150 -14.057 -9.674 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.234 -14.583 -11.072 1.00 0.00 H new ATOM 393 N LYS A 113 32.085 -11.215 -7.844 1.00 0.00 N ATOM 394 CA LYS A 113 32.420 -10.353 -6.723 1.00 0.00 C ATOM 395 C LYS A 113 32.284 -8.898 -7.170 1.00 0.00 C ATOM 396 O LYS A 113 31.897 -8.635 -8.307 1.00 0.00 O ATOM 397 CB LYS A 113 33.855 -10.645 -6.254 1.00 0.00 C ATOM 398 CG LYS A 113 33.944 -12.060 -5.672 1.00 0.00 C ATOM 399 CD LYS A 113 35.318 -12.266 -5.026 1.00 0.00 C ATOM 400 CE LYS A 113 35.347 -13.601 -4.272 1.00 0.00 C ATOM 401 NZ LYS A 113 35.121 -14.738 -5.183 1.00 0.00 N ATOM 0 H LYS A 113 32.341 -10.826 -8.751 1.00 0.00 H new ATOM 0 HA LYS A 113 31.745 -10.539 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.546 -10.544 -7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 113 34.155 -9.915 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.157 -12.210 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.787 -12.798 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 113 36.094 -12.254 -5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 113 35.533 -11.447 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 113 36.309 -13.718 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 113 34.583 -13.598 -3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 35.313 -15.628 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 34.134 -14.730 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 35.757 -14.658 -6.002 1.00 0.00 H new ATOM 415 N ARG A 114 32.604 -7.956 -6.273 1.00 0.00 N ATOM 416 CA ARG A 114 32.508 -6.530 -6.569 1.00 0.00 C ATOM 417 C ARG A 114 31.080 -6.195 -7.001 1.00 0.00 C ATOM 418 O ARG A 114 30.870 -5.497 -7.992 1.00 0.00 O ATOM 419 CB ARG A 114 33.516 -6.144 -7.665 1.00 0.00 C ATOM 420 CG ARG A 114 34.902 -6.710 -7.341 1.00 0.00 C ATOM 421 CD ARG A 114 35.930 -6.115 -8.308 1.00 0.00 C ATOM 422 NE ARG A 114 37.155 -6.927 -8.352 1.00 0.00 N ATOM 423 CZ ARG A 114 37.279 -8.034 -9.109 1.00 0.00 C ATOM 424 NH1 ARG A 114 36.220 -8.521 -9.770 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.464 -8.650 -9.203 1.00 0.00 N ATOM 0 H ARG A 114 32.934 -8.164 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 114 32.749 -5.957 -5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.178 -6.524 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.571 -5.059 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.173 -6.472 -6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.893 -7.797 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.498 -6.050 -9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.176 -5.099 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 114 37.950 -6.638 -7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 114 35.316 -8.053 -9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 114 36.318 -9.360 -10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.272 -8.281 -8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 114 38.559 -9.488 -9.776 1.00 0.00 H new ATOM 439 N TRP A 115 30.096 -6.700 -6.250 1.00 0.00 N ATOM 440 CA TRP A 115 28.694 -6.474 -6.561 1.00 0.00 C ATOM 441 C TRP A 115 28.360 -4.986 -6.480 1.00 0.00 C ATOM 442 O TRP A 115 27.422 -4.534 -7.125 1.00 0.00 O ATOM 443 CB TRP A 115 27.832 -7.312 -5.618 1.00 0.00 C ATOM 444 CG TRP A 115 28.021 -8.784 -5.808 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.515 -9.642 -4.901 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.755 -9.588 -6.996 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.594 -10.913 -5.419 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.137 -10.939 -6.724 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.237 -9.317 -8.284 1.00 0.00 C ATOM 450 CZ2 TRP A 115 28.019 -11.955 -7.676 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.112 -10.342 -9.244 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.509 -11.652 -8.943 1.00 0.00 C ATOM 0 H TRP A 115 30.253 -7.270 -5.419 1.00 0.00 H new ATOM 0 HA TRP A 115 28.484 -6.787 -7.584 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.071 -7.050 -4.587 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.783 -7.062 -5.775 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.811 -9.370 -3.899 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.942 -11.726 -4.910 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.933 -8.312 -8.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.319 -12.964 -7.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.707 -10.116 -10.219 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.421 -12.428 -9.689 1.00 0.00 H new ATOM 463 N SER A 116 29.139 -4.220 -5.706 1.00 0.00 N ATOM 464 CA SER A 116 28.948 -2.782 -5.614 1.00 0.00 C ATOM 465 C SER A 116 29.285 -2.142 -6.964 1.00 0.00 C ATOM 466 O SER A 116 28.625 -1.193 -7.388 1.00 0.00 O ATOM 467 CB SER A 116 29.845 -2.215 -4.510 1.00 0.00 C ATOM 468 OG SER A 116 29.674 -0.814 -4.435 1.00 0.00 O ATOM 0 H SER A 116 29.906 -4.580 -5.137 1.00 0.00 H new ATOM 0 HA SER A 116 27.910 -2.559 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 116 29.596 -2.674 -3.553 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.888 -2.454 -4.716 1.00 0.00 H new ATOM 0 HG SER A 116 30.247 -0.452 -3.727 1.00 0.00 H new ATOM 474 N VAL A 117 30.317 -2.666 -7.639 1.00 0.00 N ATOM 475 CA VAL A 117 30.736 -2.157 -8.936 1.00 0.00 C ATOM 476 C VAL A 117 29.707 -2.560 -9.990 1.00 0.00 C ATOM 477 O VAL A 117 29.264 -1.726 -10.778 1.00 0.00 O ATOM 478 CB VAL A 117 32.131 -2.705 -9.274 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.550 -2.239 -10.669 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.147 -2.199 -8.245 1.00 0.00 C ATOM 0 H VAL A 117 30.876 -3.448 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 117 30.796 -1.069 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 117 32.099 -3.794 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.540 -2.631 -10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.833 -2.603 -11.405 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.576 -1.150 -10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.135 -2.589 -8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.172 -1.109 -8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 117 32.857 -2.538 -7.250 1.00 0.00 H new ATOM 490 N ILE A 118 29.321 -3.841 -9.996 1.00 0.00 N ATOM 491 CA ILE A 118 28.330 -4.347 -10.936 1.00 0.00 C ATOM 492 C ILE A 118 27.016 -3.571 -10.763 1.00 0.00 C ATOM 493 O ILE A 118 26.358 -3.241 -11.747 1.00 0.00 O ATOM 494 CB ILE A 118 28.135 -5.856 -10.701 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.397 -6.610 -11.161 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.921 -6.360 -11.494 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.479 -7.976 -10.481 1.00 0.00 C ATOM 0 H ILE A 118 29.686 -4.545 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 118 28.670 -4.203 -11.962 1.00 0.00 H new ATOM 0 HB ILE A 118 27.965 -6.034 -9.639 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.379 -6.736 -12.244 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.285 -6.024 -10.923 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.792 -7.428 -11.321 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.027 -5.829 -11.168 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.081 -6.181 -12.557 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.376 -8.496 -10.817 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.520 -7.842 -9.400 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.599 -8.565 -10.741 1.00 0.00 H new ATOM 509 N ALA A 119 26.642 -3.276 -9.510 1.00 0.00 N ATOM 510 CA ALA A 119 25.421 -2.536 -9.216 1.00 0.00 C ATOM 511 C ALA A 119 25.482 -1.137 -9.834 1.00 0.00 C ATOM 512 O ALA A 119 24.489 -0.660 -10.374 1.00 0.00 O ATOM 513 CB ALA A 119 25.229 -2.447 -7.703 1.00 0.00 C ATOM 0 H ALA A 119 27.176 -3.544 -8.683 1.00 0.00 H new ATOM 0 HA ALA A 119 24.571 -3.061 -9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.316 -1.894 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.153 -3.451 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.081 -1.933 -7.258 1.00 0.00 H new ATOM 519 N LYS A 120 26.648 -0.477 -9.759 1.00 0.00 N ATOM 520 CA LYS A 120 26.813 0.860 -10.326 1.00 0.00 C ATOM 521 C LYS A 120 26.632 0.821 -11.847 1.00 0.00 C ATOM 522 O LYS A 120 26.279 1.833 -12.452 1.00 0.00 O ATOM 523 CB LYS A 120 28.191 1.419 -9.951 1.00 0.00 C ATOM 524 CG LYS A 120 28.132 2.013 -8.537 1.00 0.00 C ATOM 525 CD LYS A 120 29.424 2.786 -8.224 1.00 0.00 C ATOM 526 CE LYS A 120 30.598 1.822 -8.007 1.00 0.00 C ATOM 527 NZ LYS A 120 30.367 0.942 -6.846 1.00 0.00 N ATOM 0 H LYS A 120 27.485 -0.850 -9.312 1.00 0.00 H new ATOM 0 HA LYS A 120 26.049 1.519 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 120 28.940 0.629 -9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.492 2.184 -10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.273 2.679 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 120 27.992 1.216 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 120 29.653 3.467 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.280 3.397 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.743 1.216 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.515 2.392 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.250 0.450 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.054 1.513 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 29.634 0.243 -7.081 1.00 0.00 H new ATOM 541 N HIS A 121 26.864 -0.345 -12.463 1.00 0.00 N ATOM 542 CA HIS A 121 26.702 -0.509 -13.900 1.00 0.00 C ATOM 543 C HIS A 121 25.250 -0.873 -14.220 1.00 0.00 C ATOM 544 O HIS A 121 24.856 -0.875 -15.388 1.00 0.00 O ATOM 545 CB HIS A 121 27.663 -1.590 -14.394 1.00 0.00 C ATOM 546 CG HIS A 121 29.094 -1.289 -14.035 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.575 0.007 -13.888 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.171 -2.095 -13.778 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.877 -0.096 -13.564 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.306 -1.355 -13.484 1.00 0.00 N ATOM 0 H HIS A 121 27.166 -1.190 -11.978 1.00 0.00 H new ATOM 0 HA HIS A 121 26.936 0.425 -14.411 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.377 -2.551 -13.965 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.574 -1.685 -15.476 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.043 0.870 -14.003 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.140 -3.174 -13.801 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.513 0.759 -13.386 1.00 0.00 H new ATOM 558 N LEU A 122 24.461 -1.173 -13.176 1.00 0.00 N ATOM 559 CA LEU A 122 23.055 -1.504 -13.314 1.00 0.00 C ATOM 560 C LEU A 122 22.250 -0.591 -12.394 1.00 0.00 C ATOM 561 O LEU A 122 21.696 -1.043 -11.390 1.00 0.00 O ATOM 562 CB LEU A 122 22.836 -2.979 -12.952 1.00 0.00 C ATOM 563 CG LEU A 122 23.411 -3.887 -14.050 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.527 -5.314 -13.521 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.486 -3.879 -15.270 1.00 0.00 C ATOM 0 H LEU A 122 24.793 -1.190 -12.212 1.00 0.00 H new ATOM 0 HA LEU A 122 22.726 -1.356 -14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.315 -3.202 -11.998 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.771 -3.176 -12.828 1.00 0.00 H new ATOM 0 HG LEU A 122 24.395 -3.518 -14.338 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.935 -5.959 -14.300 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.188 -5.328 -12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.541 -5.676 -13.230 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.900 -4.525 -16.045 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.500 -4.244 -14.982 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.399 -2.863 -15.654 1.00 0.00 H new ATOM 577 N LYS A 123 22.197 0.704 -12.743 1.00 0.00 N ATOM 578 CA LYS A 123 21.484 1.701 -11.955 1.00 0.00 C ATOM 579 C LYS A 123 20.058 1.227 -11.684 1.00 0.00 C ATOM 580 O LYS A 123 19.234 1.172 -12.595 1.00 0.00 O ATOM 581 CB LYS A 123 21.483 3.037 -12.706 1.00 0.00 C ATOM 582 CG LYS A 123 22.909 3.597 -12.769 1.00 0.00 C ATOM 583 CD LYS A 123 22.898 4.952 -13.479 1.00 0.00 C ATOM 584 CE LYS A 123 24.323 5.509 -13.544 1.00 0.00 C ATOM 585 NZ LYS A 123 24.350 6.819 -14.219 1.00 0.00 N ATOM 0 H LYS A 123 22.648 1.080 -13.577 1.00 0.00 H new ATOM 0 HA LYS A 123 21.984 1.839 -10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.092 2.898 -13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.825 3.747 -12.204 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.312 3.706 -11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.560 2.902 -13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 123 22.493 4.844 -14.485 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.249 5.647 -12.947 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.725 5.608 -12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 123 24.967 4.809 -14.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 25.327 7.174 -14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 23.988 6.717 -15.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 23.754 7.492 -13.696 1.00 0.00 H new ATOM 599 N GLY A 124 19.783 0.878 -10.422 1.00 0.00 N ATOM 600 CA GLY A 124 18.485 0.372 -10.010 1.00 0.00 C ATOM 601 C GLY A 124 18.680 -0.783 -9.034 1.00 0.00 C ATOM 602 O GLY A 124 17.888 -0.960 -8.110 1.00 0.00 O ATOM 0 H GLY A 124 20.461 0.942 -9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.905 1.166 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.920 0.037 -10.880 1.00 0.00 H new ATOM 606 N ARG A 125 19.747 -1.567 -9.243 1.00 0.00 N ATOM 607 CA ARG A 125 20.068 -2.694 -8.383 1.00 0.00 C ATOM 608 C ARG A 125 21.060 -2.254 -7.311 1.00 0.00 C ATOM 609 O ARG A 125 21.600 -1.149 -7.370 1.00 0.00 O ATOM 610 CB ARG A 125 20.678 -3.828 -9.220 1.00 0.00 C ATOM 611 CG ARG A 125 19.751 -4.217 -10.378 1.00 0.00 C ATOM 612 CD ARG A 125 18.462 -4.853 -9.847 1.00 0.00 C ATOM 613 NE ARG A 125 17.694 -5.420 -10.958 1.00 0.00 N ATOM 614 CZ ARG A 125 16.422 -5.822 -10.858 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.867 -6.015 -9.655 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.706 -6.030 -11.967 1.00 0.00 N ATOM 0 H ARG A 125 20.404 -1.431 -10.012 1.00 0.00 H new ATOM 0 HA ARG A 125 19.157 -3.053 -7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.645 -3.515 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.858 -4.696 -8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.510 -3.334 -10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.262 -4.916 -11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.701 -5.632 -9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.865 -4.105 -9.325 1.00 0.00 H new ATOM 0 HE ARG A 125 18.157 -5.514 -11.862 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.414 -5.855 -8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.897 -6.322 -9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.130 -5.882 -12.883 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.736 -6.337 -11.898 1.00 0.00 H new ATOM 630 N ILE A 126 21.302 -3.138 -6.340 1.00 0.00 N ATOM 631 CA ILE A 126 22.253 -2.891 -5.267 1.00 0.00 C ATOM 632 C ILE A 126 23.133 -4.130 -5.113 1.00 0.00 C ATOM 633 O ILE A 126 23.024 -5.069 -5.906 1.00 0.00 O ATOM 634 CB ILE A 126 21.502 -2.569 -3.961 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.656 -3.778 -3.529 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.599 -1.347 -4.176 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.920 -3.469 -2.223 1.00 0.00 C ATOM 0 H ILE A 126 20.840 -4.046 -6.281 1.00 0.00 H new ATOM 0 HA ILE A 126 22.882 -2.032 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 126 22.225 -2.348 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.937 -4.026 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 126 21.296 -4.650 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.068 -1.120 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.208 -0.490 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.878 -1.562 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.325 -4.333 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.645 -3.244 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.265 -2.610 -2.369 1.00 0.00 H new ATOM 649 N GLY A 127 24.001 -4.140 -4.097 1.00 0.00 N ATOM 650 CA GLY A 127 24.882 -5.270 -3.848 1.00 0.00 C ATOM 651 C GLY A 127 24.114 -6.400 -3.161 1.00 0.00 C ATOM 652 O GLY A 127 24.476 -6.817 -2.063 1.00 0.00 O ATOM 0 H GLY A 127 24.108 -3.372 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.303 -5.626 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.718 -4.957 -3.223 1.00 0.00 H new ATOM 656 N LYS A 128 23.054 -6.892 -3.816 1.00 0.00 N ATOM 657 CA LYS A 128 22.238 -7.968 -3.278 1.00 0.00 C ATOM 658 C LYS A 128 21.490 -8.659 -4.417 1.00 0.00 C ATOM 659 O LYS A 128 21.672 -9.851 -4.636 1.00 0.00 O ATOM 660 CB LYS A 128 21.260 -7.407 -2.239 1.00 0.00 C ATOM 661 CG LYS A 128 20.491 -8.560 -1.592 1.00 0.00 C ATOM 662 CD LYS A 128 19.516 -8.016 -0.546 1.00 0.00 C ATOM 663 CE LYS A 128 18.966 -9.171 0.299 1.00 0.00 C ATOM 664 NZ LYS A 128 18.407 -10.241 -0.550 1.00 0.00 N ATOM 0 H LYS A 128 22.746 -6.552 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 128 22.875 -8.703 -2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.802 -6.845 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.566 -6.713 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.946 -9.118 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.188 -9.256 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.021 -7.293 0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.697 -7.490 -1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.761 -9.578 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 128 18.194 -8.797 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.953 -10.959 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.703 -9.837 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 19.171 -10.683 -1.100 1.00 0.00 H new ATOM 678 N GLN A 129 20.646 -7.906 -5.142 1.00 0.00 N ATOM 679 CA GLN A 129 19.878 -8.457 -6.255 1.00 0.00 C ATOM 680 C GLN A 129 20.813 -9.164 -7.235 1.00 0.00 C ATOM 681 O GLN A 129 20.542 -10.289 -7.649 1.00 0.00 O ATOM 682 CB GLN A 129 19.118 -7.335 -6.979 1.00 0.00 C ATOM 683 CG GLN A 129 17.789 -7.036 -6.278 1.00 0.00 C ATOM 684 CD GLN A 129 17.966 -6.003 -5.174 1.00 0.00 C ATOM 685 OE1 GLN A 129 18.292 -6.347 -4.042 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.746 -4.731 -5.509 1.00 0.00 N ATOM 0 H GLN A 129 20.483 -6.914 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 129 19.160 -9.177 -5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.731 -6.434 -7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.931 -7.625 -8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.065 -6.672 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.383 -7.956 -5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.477 -4.494 -6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 129 17.847 -3.995 -4.810 1.00 0.00 H new ATOM 695 N CYS A 130 21.913 -8.496 -7.604 1.00 0.00 N ATOM 696 CA CYS A 130 22.878 -9.049 -8.542 1.00 0.00 C ATOM 697 C CYS A 130 23.473 -10.339 -7.980 1.00 0.00 C ATOM 698 O CYS A 130 23.550 -11.346 -8.684 1.00 0.00 O ATOM 699 CB CYS A 130 23.978 -8.017 -8.807 1.00 0.00 C ATOM 700 SG CYS A 130 23.243 -6.550 -9.574 1.00 0.00 S ATOM 0 H CYS A 130 22.151 -7.566 -7.260 1.00 0.00 H new ATOM 0 HA CYS A 130 22.380 -9.284 -9.483 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.472 -7.746 -7.874 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.741 -8.440 -9.460 1.00 0.00 H new ATOM 0 HG CYS A 130 24.171 -5.668 -9.800 1.00 0.00 H new ATOM 706 N ARG A 131 23.895 -10.304 -6.708 1.00 0.00 N ATOM 707 CA ARG A 131 24.489 -11.460 -6.055 1.00 0.00 C ATOM 708 C ARG A 131 23.526 -12.647 -6.110 1.00 0.00 C ATOM 709 O ARG A 131 23.912 -13.730 -6.540 1.00 0.00 O ATOM 710 CB ARG A 131 24.841 -11.094 -4.604 1.00 0.00 C ATOM 711 CG ARG A 131 25.818 -12.123 -4.013 1.00 0.00 C ATOM 712 CD ARG A 131 25.048 -13.226 -3.276 1.00 0.00 C ATOM 713 NE ARG A 131 25.968 -14.226 -2.716 1.00 0.00 N ATOM 714 CZ ARG A 131 26.632 -14.054 -1.558 1.00 0.00 C ATOM 715 NH1 ARG A 131 26.491 -12.919 -0.858 1.00 0.00 N ATOM 716 NH2 ARG A 131 27.438 -15.022 -1.104 1.00 0.00 N ATOM 0 H ARG A 131 23.831 -9.477 -6.114 1.00 0.00 H new ATOM 0 HA ARG A 131 25.403 -11.750 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.286 -10.100 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.934 -11.057 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.421 -12.561 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.506 -11.629 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.452 -12.786 -2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.353 -13.710 -3.962 1.00 0.00 H new ATOM 0 HE ARG A 131 26.111 -15.095 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 131 25.878 -12.180 -1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 131 26.997 -12.794 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 131 27.547 -15.886 -1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 131 27.943 -14.896 -0.227 1.00 0.00 H new ATOM 730 N GLU A 132 22.277 -12.443 -5.675 1.00 0.00 N ATOM 731 CA GLU A 132 21.277 -13.501 -5.674 1.00 0.00 C ATOM 732 C GLU A 132 21.071 -14.022 -7.091 1.00 0.00 C ATOM 733 O GLU A 132 21.337 -15.189 -7.352 1.00 0.00 O ATOM 734 CB GLU A 132 19.954 -12.973 -5.092 1.00 0.00 C ATOM 735 CG GLU A 132 19.843 -13.337 -3.606 1.00 0.00 C ATOM 736 CD GLU A 132 20.760 -12.474 -2.748 1.00 0.00 C ATOM 737 OE1 GLU A 132 21.975 -12.760 -2.745 1.00 0.00 O ATOM 738 OE2 GLU A 132 20.224 -11.544 -2.106 1.00 0.00 O ATOM 0 H GLU A 132 21.940 -11.548 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 132 21.625 -14.324 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.902 -11.891 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.113 -13.396 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.812 -13.213 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.097 -14.388 -3.468 1.00 0.00 H new ATOM 745 N ARG A 133 20.598 -13.155 -8.001 1.00 0.00 N ATOM 746 CA ARG A 133 20.346 -13.533 -9.393 1.00 0.00 C ATOM 747 C ARG A 133 21.448 -14.468 -9.891 1.00 0.00 C ATOM 748 O ARG A 133 21.164 -15.482 -10.534 1.00 0.00 O ATOM 749 CB ARG A 133 20.285 -12.257 -10.253 1.00 0.00 C ATOM 750 CG ARG A 133 19.726 -12.565 -11.650 1.00 0.00 C ATOM 751 CD ARG A 133 18.202 -12.720 -11.591 1.00 0.00 C ATOM 752 NE ARG A 133 17.626 -12.739 -12.950 1.00 0.00 N ATOM 753 CZ ARG A 133 16.578 -13.506 -13.322 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.151 -14.502 -12.545 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.959 -13.272 -14.483 1.00 0.00 N ATOM 0 H ARG A 133 20.382 -12.181 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 133 19.396 -14.062 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.659 -11.512 -9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.282 -11.826 -10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.990 -11.763 -12.340 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.177 -13.479 -12.036 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.945 -13.642 -11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.770 -11.899 -11.019 1.00 0.00 H new ATOM 0 HE ARG A 133 18.047 -12.133 -13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.617 -14.692 -11.658 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.359 -15.073 -12.838 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.278 -12.515 -15.087 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.168 -13.851 -14.765 1.00 0.00 H new ATOM 769 N TRP A 134 22.706 -14.126 -9.587 1.00 0.00 N ATOM 770 CA TRP A 134 23.835 -14.922 -10.013 1.00 0.00 C ATOM 771 C TRP A 134 23.889 -16.255 -9.263 1.00 0.00 C ATOM 772 O TRP A 134 23.796 -17.313 -9.884 1.00 0.00 O ATOM 773 CB TRP A 134 25.131 -14.135 -9.812 1.00 0.00 C ATOM 774 CG TRP A 134 26.234 -14.619 -10.682 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.383 -15.188 -10.281 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.285 -14.611 -12.127 1.00 0.00 C ATOM 777 NE1 TRP A 134 28.152 -15.544 -11.365 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.510 -15.209 -12.546 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.410 -14.161 -13.136 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.841 -15.355 -13.894 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.734 -14.308 -14.486 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.941 -14.907 -14.869 1.00 0.00 C ATOM 0 H TRP A 134 22.955 -13.298 -9.045 1.00 0.00 H new ATOM 0 HA TRP A 134 23.717 -15.147 -11.073 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.947 -13.081 -10.018 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.438 -14.207 -8.769 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.664 -15.344 -9.250 1.00 0.00 H new ATOM 0 HE1 TRP A 134 29.067 -15.992 -11.307 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.475 -13.696 -12.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.779 -15.807 -14.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 25.048 -13.957 -15.242 1.00 0.00 H new ATOM 0 HH2 TRP A 134 27.178 -15.023 -15.916 1.00 0.00 H new ATOM 793 N HIS A 135 24.053 -16.204 -7.935 1.00 0.00 N ATOM 794 CA HIS A 135 24.195 -17.406 -7.116 1.00 0.00 C ATOM 795 C HIS A 135 22.839 -18.073 -6.846 1.00 0.00 C ATOM 796 O HIS A 135 22.593 -18.544 -5.737 1.00 0.00 O ATOM 797 CB HIS A 135 24.892 -17.029 -5.804 1.00 0.00 C ATOM 798 CG HIS A 135 26.312 -16.575 -6.018 1.00 0.00 C ATOM 799 ND1 HIS A 135 27.381 -17.462 -6.074 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.873 -15.336 -6.197 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.490 -16.722 -6.276 1.00 0.00 C ATOM 802 NE2 HIS A 135 28.248 -15.414 -6.360 1.00 0.00 N ATOM 0 H HIS A 135 24.090 -15.333 -7.405 1.00 0.00 H new ATOM 0 HA HIS A 135 24.799 -18.134 -7.658 1.00 0.00 H new ATOM 0 HB2 HIS A 135 24.330 -16.235 -5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.885 -17.888 -5.132 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.313 -14.413 -6.209 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.479 -17.148 -6.361 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.913 -14.655 -6.508 1.00 0.00 H new ATOM 810 N ASN A 136 21.971 -18.126 -7.864 1.00 0.00 N ATOM 811 CA ASN A 136 20.677 -18.793 -7.758 1.00 0.00 C ATOM 812 C ASN A 136 20.448 -19.628 -8.992 1.00 0.00 C ATOM 813 O ASN A 136 20.424 -20.855 -8.926 1.00 0.00 O ATOM 814 CB ASN A 136 19.541 -17.770 -7.643 1.00 0.00 C ATOM 815 CG ASN A 136 19.266 -17.420 -6.200 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.204 -17.735 -5.669 1.00 0.00 O ATOM 817 ND2 ASN A 136 20.218 -16.771 -5.568 1.00 0.00 N ATOM 0 H ASN A 136 22.149 -17.709 -8.778 1.00 0.00 H new ATOM 0 HA ASN A 136 20.684 -19.417 -6.865 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.803 -16.868 -8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.638 -18.173 -8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 136 20.093 -16.506 -4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 136 21.082 -16.533 -6.054 1.00 0.00 H new ATOM 824 N HIS A 137 20.251 -18.942 -10.116 1.00 0.00 N ATOM 825 CA HIS A 137 19.911 -19.607 -11.373 1.00 0.00 C ATOM 826 C HIS A 137 20.689 -19.076 -12.585 1.00 0.00 C ATOM 827 O HIS A 137 20.867 -19.818 -13.548 1.00 0.00 O ATOM 828 CB HIS A 137 18.401 -19.452 -11.610 1.00 0.00 C ATOM 829 CG HIS A 137 17.838 -18.173 -11.041 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.852 -18.161 -10.061 1.00 0.00 N ATOM 831 CD2 HIS A 137 18.106 -16.851 -11.288 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.594 -16.868 -9.784 1.00 0.00 C ATOM 833 NE2 HIS A 137 17.328 -16.015 -10.500 1.00 0.00 N ATOM 0 H HIS A 137 20.321 -17.927 -10.183 1.00 0.00 H new ATOM 0 HA HIS A 137 20.194 -20.655 -11.275 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.203 -19.484 -12.681 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.881 -20.300 -11.165 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.409 -18.975 -9.634 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.833 -16.503 -12.007 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.864 -16.553 -9.053 1.00 0.00 H new ATOM 841 N LEU A 138 21.134 -17.811 -12.581 1.00 0.00 N ATOM 842 CA LEU A 138 21.785 -17.251 -13.766 1.00 0.00 C ATOM 843 C LEU A 138 23.148 -17.892 -14.014 1.00 0.00 C ATOM 844 O LEU A 138 23.347 -18.481 -15.070 1.00 0.00 O ATOM 845 CB LEU A 138 21.914 -15.723 -13.644 1.00 0.00 C ATOM 846 CG LEU A 138 21.838 -15.064 -15.034 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.508 -15.408 -15.719 1.00 0.00 C ATOM 848 CD2 LEU A 138 21.940 -13.544 -14.880 1.00 0.00 C ATOM 0 H LEU A 138 21.057 -17.172 -11.789 1.00 0.00 H new ATOM 0 HA LEU A 138 21.155 -17.477 -14.626 1.00 0.00 H new ATOM 0 HB2 LEU A 138 21.120 -15.335 -13.007 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.860 -15.469 -13.165 1.00 0.00 H new ATOM 0 HG LEU A 138 22.660 -15.437 -15.644 1.00 0.00 H new ATOM 0 HD11 LEU A 138 20.471 -14.934 -16.700 1.00 0.00 H new ATOM 0 HD12 LEU A 138 20.427 -16.489 -15.835 1.00 0.00 H new ATOM 0 HD13 LEU A 138 19.680 -15.045 -15.109 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.887 -13.074 -15.862 1.00 0.00 H new ATOM 0 HD22 LEU A 138 21.118 -13.185 -14.261 1.00 0.00 H new ATOM 0 HD23 LEU A 138 22.888 -13.289 -14.407 1.00 0.00 H new ATOM 860 N ASN A 139 24.076 -17.751 -13.041 1.00 0.00 N ATOM 861 CA ASN A 139 25.464 -18.242 -13.140 1.00 0.00 C ATOM 862 C ASN A 139 25.611 -19.425 -14.114 1.00 0.00 C ATOM 863 O ASN A 139 25.447 -20.576 -13.713 1.00 0.00 O ATOM 864 CB ASN A 139 25.944 -18.643 -11.740 1.00 0.00 C ATOM 865 CG ASN A 139 27.334 -19.272 -11.791 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.537 -20.376 -11.297 1.00 0.00 O ATOM 867 ND2 ASN A 139 28.295 -18.566 -12.390 1.00 0.00 N ATOM 0 H ASN A 139 23.877 -17.287 -12.155 1.00 0.00 H new ATOM 0 HA ASN A 139 26.079 -17.436 -13.541 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.963 -17.765 -11.094 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.239 -19.348 -11.299 1.00 0.00 H new ATOM 0 HD21 ASN A 139 29.242 -18.941 -12.450 1.00 0.00 H new ATOM 0 HD22 ASN A 139 28.083 -17.651 -12.788 1.00 0.00 H new ATOM 874 N PRO A 140 25.933 -19.143 -15.399 1.00 0.00 N ATOM 875 CA PRO A 140 26.127 -20.163 -16.404 1.00 0.00 C ATOM 876 C PRO A 140 27.514 -20.786 -16.255 1.00 0.00 C ATOM 877 O PRO A 140 27.694 -21.975 -16.508 1.00 0.00 O ATOM 878 CB PRO A 140 26.000 -19.435 -17.744 1.00 0.00 C ATOM 879 CG PRO A 140 26.117 -17.936 -17.437 1.00 0.00 C ATOM 880 CD PRO A 140 26.113 -17.801 -15.913 1.00 0.00 C ATOM 0 HA PRO A 140 25.404 -20.974 -16.317 1.00 0.00 H new ATOM 0 HB2 PRO A 140 26.782 -19.752 -18.434 1.00 0.00 H new ATOM 0 HB3 PRO A 140 25.045 -19.661 -18.219 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.033 -17.524 -17.860 1.00 0.00 H new ATOM 0 HG3 PRO A 140 25.286 -17.384 -17.877 1.00 0.00 H new ATOM 0 HD2 PRO A 140 27.047 -17.368 -15.556 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.309 -17.144 -15.581 1.00 0.00 H new ATOM 888 N GLU A 141 28.493 -19.963 -15.846 1.00 0.00 N ATOM 889 CA GLU A 141 29.871 -20.401 -15.677 1.00 0.00 C ATOM 890 C GLU A 141 29.940 -21.557 -14.676 1.00 0.00 C ATOM 891 O GLU A 141 30.751 -22.461 -14.824 1.00 0.00 O ATOM 892 CB GLU A 141 30.740 -19.222 -15.192 1.00 0.00 C ATOM 893 CG GLU A 141 30.447 -17.936 -15.992 1.00 0.00 C ATOM 894 CD GLU A 141 30.533 -18.171 -17.497 1.00 0.00 C ATOM 895 OE1 GLU A 141 31.432 -18.936 -17.905 1.00 0.00 O ATOM 896 OE2 GLU A 141 29.695 -17.575 -18.211 1.00 0.00 O ATOM 0 H GLU A 141 28.343 -18.978 -15.626 1.00 0.00 H new ATOM 0 HA GLU A 141 30.252 -20.750 -16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.554 -19.043 -14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.794 -19.481 -15.291 1.00 0.00 H new ATOM 0 HG2 GLU A 141 29.453 -17.569 -15.738 1.00 0.00 H new ATOM 0 HG3 GLU A 141 31.156 -17.160 -15.704 1.00 0.00 H new HETATM 903 N NH2 A 142 29.090 -21.526 -13.655 1.00 0.00 N TER 906 NH2 A 142