USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=13 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 113 LYS NZ :NH3+ 173:sc= 1.27 (180deg=0) USER MOD Set 1.2: A 135 HIS : no HE2:sc= 1.07 K(o=2.3,f=-3.9) USER MOD Set 2.1: A 109 LYS NZ :NH3+ -156:sc= 0.913 (180deg=0.00386) USER MOD Set 2.2: A 110 TYR OH : rot -109:sc= 0.843 USER MOD Set 2.3: A 121 HIS : no HE2:sc= -0.605 K(o=1.2,f=-0.2) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.15) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 97 LYS NZ :NH3+ -170:sc=-0.00874 (180deg=-0.14) USER MOD Single : A 101 GLN : amide:sc= -0.783! C(o=-0.78!,f=-2.5!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -164:sc= -0.192 (180deg=-0.61) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0903) USER MOD Single : A 129 GLN : amide:sc= 0.763 K(o=0.76,f=-5.6!) USER MOD Single : A 130 CYS SG : rot -160:sc= -0.063 USER MOD Single : A 136 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.32) USER MOD Single : A 137 HIS : no HE2:sc= 0.22 K(o=0.22,f=-4.7!) USER MOD Single : A 139 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 14.471 -4.160 -1.076 1.00 0.00 N ATOM 2 CA LEU A 90 13.385 -3.357 -1.665 1.00 0.00 C ATOM 3 C LEU A 90 13.672 -3.102 -3.141 1.00 0.00 C ATOM 4 O LEU A 90 14.810 -3.248 -3.581 1.00 0.00 O ATOM 5 CB LEU A 90 13.228 -2.021 -0.923 1.00 0.00 C ATOM 6 CG LEU A 90 12.970 -2.251 0.577 1.00 0.00 C ATOM 7 CD1 LEU A 90 12.862 -0.898 1.281 1.00 0.00 C ATOM 8 CD2 LEU A 90 11.667 -3.032 0.778 1.00 0.00 C ATOM 0 HA LEU A 90 12.453 -3.914 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.128 -1.421 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.403 -1.455 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 90 13.796 -2.826 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.679 -1.055 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.792 -0.345 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.038 -0.329 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.497 -3.188 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.836 -2.467 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.741 -3.997 0.277 1.00 0.00 H new ATOM 22 N ILE A 91 12.631 -2.720 -3.897 1.00 0.00 N ATOM 23 CA ILE A 91 12.751 -2.436 -5.325 1.00 0.00 C ATOM 24 C ILE A 91 13.410 -3.622 -6.037 1.00 0.00 C ATOM 25 O ILE A 91 14.506 -3.498 -6.581 1.00 0.00 O ATOM 26 CB ILE A 91 13.554 -1.132 -5.537 1.00 0.00 C ATOM 27 CG1 ILE A 91 13.041 -0.013 -4.603 1.00 0.00 C ATOM 28 CG2 ILE A 91 13.432 -0.679 -6.999 1.00 0.00 C ATOM 29 CD1 ILE A 91 11.539 0.227 -4.802 1.00 0.00 C ATOM 0 H ILE A 91 11.686 -2.601 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 91 11.759 -2.293 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 91 14.600 -1.329 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.235 -0.284 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.589 0.909 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 91 13.999 0.240 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 91 13.826 -1.456 -7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.384 -0.500 -7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.205 1.019 -4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.351 0.522 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.992 -0.689 -4.581 1.00 0.00 H new ATOM 41 N LYS A 92 12.728 -4.776 -6.027 1.00 0.00 N ATOM 42 CA LYS A 92 13.228 -5.982 -6.669 1.00 0.00 C ATOM 43 C LYS A 92 12.090 -6.661 -7.415 1.00 0.00 C ATOM 44 O LYS A 92 11.382 -7.498 -6.856 1.00 0.00 O ATOM 45 CB LYS A 92 13.833 -6.907 -5.611 1.00 0.00 C ATOM 46 CG LYS A 92 14.425 -8.158 -6.279 1.00 0.00 C ATOM 47 CD LYS A 92 15.176 -9.001 -5.237 1.00 0.00 C ATOM 48 CE LYS A 92 14.201 -9.920 -4.492 1.00 0.00 C ATOM 49 NZ LYS A 92 13.851 -11.098 -5.306 1.00 0.00 N ATOM 0 H LYS A 92 11.821 -4.891 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 92 14.008 -5.733 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.609 -6.379 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.068 -7.197 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.630 -8.749 -6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.103 -7.866 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.945 -9.597 -5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.684 -8.347 -4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.648 -10.244 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.296 -9.367 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.421 -11.824 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.175 -10.820 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.710 -11.482 -5.749 1.00 0.00 H new ATOM 63 N GLY A 93 11.924 -6.291 -8.684 1.00 0.00 N ATOM 64 CA GLY A 93 10.885 -6.853 -9.527 1.00 0.00 C ATOM 65 C GLY A 93 11.437 -8.049 -10.296 1.00 0.00 C ATOM 66 O GLY A 93 12.626 -8.363 -10.184 1.00 0.00 O ATOM 0 H GLY A 93 12.507 -5.595 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.036 -7.161 -8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.520 -6.098 -10.223 1.00 0.00 H new ATOM 70 N PRO A 94 10.581 -8.721 -11.082 1.00 0.00 N ATOM 71 CA PRO A 94 10.984 -9.859 -11.872 1.00 0.00 C ATOM 72 C PRO A 94 12.086 -9.452 -12.843 1.00 0.00 C ATOM 73 O PRO A 94 11.920 -8.510 -13.618 1.00 0.00 O ATOM 74 CB PRO A 94 9.728 -10.329 -12.610 1.00 0.00 C ATOM 75 CG PRO A 94 8.591 -9.387 -12.197 1.00 0.00 C ATOM 76 CD PRO A 94 9.185 -8.373 -11.219 1.00 0.00 C ATOM 0 HA PRO A 94 11.389 -10.663 -11.258 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.881 -10.301 -13.689 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.490 -11.360 -12.349 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.172 -8.883 -13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.779 -9.944 -11.730 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.072 -7.356 -11.595 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.676 -8.416 -10.256 1.00 0.00 H new ATOM 84 N TRP A 95 13.213 -10.160 -12.793 1.00 0.00 N ATOM 85 CA TRP A 95 14.344 -9.872 -13.654 1.00 0.00 C ATOM 86 C TRP A 95 14.001 -10.200 -15.104 1.00 0.00 C ATOM 87 O TRP A 95 13.079 -10.971 -15.372 1.00 0.00 O ATOM 88 CB TRP A 95 15.545 -10.688 -13.189 1.00 0.00 C ATOM 89 CG TRP A 95 16.411 -10.000 -12.187 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.102 -9.777 -10.898 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.740 -9.438 -12.371 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.131 -9.133 -10.252 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.180 -8.891 -11.123 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.625 -9.332 -13.465 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.427 -8.275 -10.977 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.877 -8.707 -13.321 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.276 -8.181 -12.079 1.00 0.00 C ATOM 0 H TRP A 95 13.361 -10.943 -12.157 1.00 0.00 H new ATOM 0 HA TRP A 95 14.587 -8.811 -13.596 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.188 -11.624 -12.760 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.151 -10.946 -14.058 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.171 -10.065 -10.432 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.123 -8.870 -9.267 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.338 -9.736 -14.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.729 -7.876 -10.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.538 -8.630 -14.172 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.240 -7.704 -11.979 1.00 0.00 H new ATOM 108 N THR A 96 14.754 -9.603 -16.034 1.00 0.00 N ATOM 109 CA THR A 96 14.546 -9.803 -17.459 1.00 0.00 C ATOM 110 C THR A 96 15.863 -10.242 -18.095 1.00 0.00 C ATOM 111 O THR A 96 16.931 -9.904 -17.595 1.00 0.00 O ATOM 112 CB THR A 96 14.037 -8.494 -18.094 1.00 0.00 C ATOM 113 OG1 THR A 96 15.131 -7.659 -18.411 1.00 0.00 O ATOM 114 CG2 THR A 96 13.105 -7.758 -17.119 1.00 0.00 C ATOM 0 H THR A 96 15.522 -8.969 -15.813 1.00 0.00 H new ATOM 0 HA THR A 96 13.798 -10.578 -17.627 1.00 0.00 H new ATOM 0 HB THR A 96 13.486 -8.738 -19.002 1.00 0.00 H new ATOM 0 HG1 THR A 96 14.803 -6.829 -18.816 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.752 -6.835 -17.579 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.252 -8.394 -16.881 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.648 -7.522 -16.204 1.00 0.00 H new ATOM 122 N LYS A 97 15.784 -10.992 -19.201 1.00 0.00 N ATOM 123 CA LYS A 97 16.973 -11.466 -19.901 1.00 0.00 C ATOM 124 C LYS A 97 17.846 -10.277 -20.317 1.00 0.00 C ATOM 125 O LYS A 97 19.072 -10.378 -20.334 1.00 0.00 O ATOM 126 CB LYS A 97 16.542 -12.282 -21.125 1.00 0.00 C ATOM 127 CG LYS A 97 17.764 -12.954 -21.759 1.00 0.00 C ATOM 128 CD LYS A 97 17.313 -13.849 -22.919 1.00 0.00 C ATOM 129 CE LYS A 97 18.515 -14.599 -23.503 1.00 0.00 C ATOM 130 NZ LYS A 97 19.482 -13.669 -24.117 1.00 0.00 N ATOM 0 H LYS A 97 14.904 -11.282 -19.628 1.00 0.00 H new ATOM 0 HA LYS A 97 17.562 -12.102 -19.241 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.812 -13.037 -20.831 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.054 -11.633 -21.852 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.462 -12.198 -22.119 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.294 -13.547 -21.013 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.565 -14.561 -22.570 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.841 -13.244 -23.693 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.007 -15.171 -22.716 1.00 0.00 H new ATOM 0 HE3 LYS A 97 18.172 -15.315 -24.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.194 -14.209 -24.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.982 -13.025 -24.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.952 -13.116 -23.373 1.00 0.00 H new ATOM 144 N GLU A 98 17.204 -9.154 -20.647 1.00 0.00 N ATOM 145 CA GLU A 98 17.898 -7.944 -21.058 1.00 0.00 C ATOM 146 C GLU A 98 18.699 -7.379 -19.879 1.00 0.00 C ATOM 147 O GLU A 98 19.800 -6.861 -20.065 1.00 0.00 O ATOM 148 CB GLU A 98 16.855 -6.941 -21.575 1.00 0.00 C ATOM 149 CG GLU A 98 17.545 -5.739 -22.244 1.00 0.00 C ATOM 150 CD GLU A 98 17.721 -4.558 -21.288 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.260 -4.666 -20.132 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.321 -3.558 -21.736 1.00 0.00 O ATOM 0 H GLU A 98 16.188 -9.064 -20.635 1.00 0.00 H new ATOM 0 HA GLU A 98 18.607 -8.156 -21.858 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.194 -7.431 -22.289 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.233 -6.597 -20.749 1.00 0.00 H new ATOM 0 HG2 GLU A 98 18.521 -6.047 -22.619 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.958 -5.421 -23.106 1.00 0.00 H new ATOM 159 N GLU A 99 18.146 -7.493 -18.664 1.00 0.00 N ATOM 160 CA GLU A 99 18.815 -7.024 -17.459 1.00 0.00 C ATOM 161 C GLU A 99 19.955 -7.992 -17.122 1.00 0.00 C ATOM 162 O GLU A 99 21.053 -7.568 -16.762 1.00 0.00 O ATOM 163 CB GLU A 99 17.790 -6.956 -16.310 1.00 0.00 C ATOM 164 CG GLU A 99 17.632 -5.514 -15.814 1.00 0.00 C ATOM 165 CD GLU A 99 18.907 -5.000 -15.161 1.00 0.00 C ATOM 166 OE1 GLU A 99 19.145 -5.395 -14.000 1.00 0.00 O ATOM 167 OE2 GLU A 99 19.616 -4.218 -15.835 1.00 0.00 O ATOM 0 H GLU A 99 17.230 -7.910 -18.497 1.00 0.00 H new ATOM 0 HA GLU A 99 19.232 -6.028 -17.610 1.00 0.00 H new ATOM 0 HB2 GLU A 99 16.827 -7.337 -16.651 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.113 -7.596 -15.489 1.00 0.00 H new ATOM 0 HG2 GLU A 99 17.366 -4.868 -16.651 1.00 0.00 H new ATOM 0 HG3 GLU A 99 16.811 -5.463 -15.099 1.00 0.00 H new ATOM 174 N ASP A 100 19.679 -9.298 -17.249 1.00 0.00 N ATOM 175 CA ASP A 100 20.655 -10.345 -16.976 1.00 0.00 C ATOM 176 C ASP A 100 21.865 -10.207 -17.896 1.00 0.00 C ATOM 177 O ASP A 100 22.988 -10.456 -17.470 1.00 0.00 O ATOM 178 CB ASP A 100 19.994 -11.712 -17.170 1.00 0.00 C ATOM 179 CG ASP A 100 19.202 -12.111 -15.942 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.848 -12.415 -14.921 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.958 -12.110 -16.044 1.00 0.00 O ATOM 0 H ASP A 100 18.769 -9.651 -17.545 1.00 0.00 H new ATOM 0 HA ASP A 100 21.002 -10.251 -15.947 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.335 -11.682 -18.038 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.757 -12.463 -17.375 1.00 0.00 H new ATOM 186 N GLN A 101 21.637 -9.813 -19.158 1.00 0.00 N ATOM 187 CA GLN A 101 22.716 -9.647 -20.128 1.00 0.00 C ATOM 188 C GLN A 101 23.843 -8.807 -19.525 1.00 0.00 C ATOM 189 O GLN A 101 25.013 -9.178 -19.618 1.00 0.00 O ATOM 190 CB GLN A 101 22.159 -8.986 -21.399 1.00 0.00 C ATOM 191 CG GLN A 101 23.207 -9.017 -22.525 1.00 0.00 C ATOM 192 CD GLN A 101 24.293 -7.957 -22.323 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.999 -6.826 -21.944 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.549 -8.328 -22.578 1.00 0.00 N ATOM 0 H GLN A 101 20.709 -9.604 -19.526 1.00 0.00 H new ATOM 0 HA GLN A 101 23.127 -10.622 -20.389 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.256 -9.505 -21.720 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.876 -7.955 -21.186 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.667 -10.004 -22.566 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.715 -8.854 -23.484 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.746 -9.279 -22.891 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.312 -7.661 -22.460 1.00 0.00 H new ATOM 203 N ARG A 102 23.491 -7.675 -18.911 1.00 0.00 N ATOM 204 CA ARG A 102 24.478 -6.786 -18.323 1.00 0.00 C ATOM 205 C ARG A 102 25.249 -7.501 -17.215 1.00 0.00 C ATOM 206 O ARG A 102 26.467 -7.408 -17.168 1.00 0.00 O ATOM 207 CB ARG A 102 23.790 -5.534 -17.787 1.00 0.00 C ATOM 208 CG ARG A 102 23.335 -4.664 -18.958 1.00 0.00 C ATOM 209 CD ARG A 102 22.754 -3.347 -18.437 1.00 0.00 C ATOM 210 NE ARG A 102 21.356 -3.518 -18.021 1.00 0.00 N ATOM 211 CZ ARG A 102 20.329 -3.521 -18.885 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.550 -3.401 -20.200 1.00 0.00 N ATOM 213 NH2 ARG A 102 19.086 -3.646 -18.425 1.00 0.00 N ATOM 0 H ARG A 102 22.527 -7.358 -18.811 1.00 0.00 H new ATOM 0 HA ARG A 102 25.193 -6.489 -19.091 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.934 -5.811 -17.172 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.474 -4.975 -17.149 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.177 -4.463 -19.621 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.586 -5.194 -19.546 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.347 -2.991 -17.594 1.00 0.00 H new ATOM 0 HD3 ARG A 102 22.816 -2.585 -19.214 1.00 0.00 H new ATOM 0 HE ARG A 102 21.156 -3.640 -17.028 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.503 -3.307 -20.550 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.765 -3.404 -20.851 1.00 0.00 H new ATOM 0 HH21 ARG A 102 18.920 -3.738 -17.423 1.00 0.00 H new ATOM 0 HH22 ARG A 102 18.300 -3.649 -19.075 1.00 0.00 H new ATOM 227 N VAL A 103 24.550 -8.216 -16.323 1.00 0.00 N ATOM 228 CA VAL A 103 25.214 -8.937 -15.238 1.00 0.00 C ATOM 229 C VAL A 103 26.198 -9.945 -15.824 1.00 0.00 C ATOM 230 O VAL A 103 27.350 -9.988 -15.414 1.00 0.00 O ATOM 231 CB VAL A 103 24.179 -9.642 -14.354 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.894 -10.479 -13.288 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.307 -8.604 -13.660 1.00 0.00 C ATOM 0 H VAL A 103 23.534 -8.308 -16.334 1.00 0.00 H new ATOM 0 HA VAL A 103 25.761 -8.228 -14.617 1.00 0.00 H new ATOM 0 HB VAL A 103 23.561 -10.288 -14.978 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.155 -10.979 -12.662 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.523 -11.226 -13.773 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.513 -9.829 -12.670 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.572 -9.107 -13.032 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.931 -7.959 -13.042 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.793 -8.002 -14.409 1.00 0.00 H new ATOM 243 N ILE A 104 25.735 -10.750 -16.785 1.00 0.00 N ATOM 244 CA ILE A 104 26.568 -11.748 -17.441 1.00 0.00 C ATOM 245 C ILE A 104 27.859 -11.094 -17.941 1.00 0.00 C ATOM 246 O ILE A 104 28.956 -11.582 -17.667 1.00 0.00 O ATOM 247 CB ILE A 104 25.774 -12.365 -18.609 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.716 -13.338 -18.068 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.726 -13.102 -19.563 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.773 -13.775 -19.194 1.00 0.00 C ATOM 0 H ILE A 104 24.774 -10.724 -17.126 1.00 0.00 H new ATOM 0 HA ILE A 104 26.838 -12.537 -16.739 1.00 0.00 H new ATOM 0 HB ILE A 104 25.274 -11.566 -19.157 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.203 -14.211 -17.633 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.146 -12.860 -17.271 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.155 -13.534 -20.385 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.459 -12.400 -19.960 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.241 -13.896 -19.022 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.028 -14.465 -18.797 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.273 -12.900 -19.610 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.346 -14.272 -19.977 1.00 0.00 H new ATOM 262 N GLU A 105 27.717 -9.991 -18.679 1.00 0.00 N ATOM 263 CA GLU A 105 28.849 -9.277 -19.247 1.00 0.00 C ATOM 264 C GLU A 105 29.775 -8.757 -18.143 1.00 0.00 C ATOM 265 O GLU A 105 30.982 -8.996 -18.179 1.00 0.00 O ATOM 266 CB GLU A 105 28.309 -8.125 -20.098 1.00 0.00 C ATOM 267 CG GLU A 105 29.432 -7.511 -20.934 1.00 0.00 C ATOM 268 CD GLU A 105 28.890 -6.403 -21.828 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.831 -6.645 -22.453 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.541 -5.337 -21.869 1.00 0.00 O ATOM 0 H GLU A 105 26.812 -9.573 -18.896 1.00 0.00 H new ATOM 0 HA GLU A 105 29.439 -9.950 -19.869 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.516 -8.488 -20.752 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.868 -7.364 -19.454 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.204 -7.111 -20.277 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.901 -8.282 -21.545 1.00 0.00 H new ATOM 277 N LEU A 106 29.210 -8.040 -17.168 1.00 0.00 N ATOM 278 CA LEU A 106 29.985 -7.456 -16.082 1.00 0.00 C ATOM 279 C LEU A 106 30.698 -8.549 -15.276 1.00 0.00 C ATOM 280 O LEU A 106 31.799 -8.324 -14.785 1.00 0.00 O ATOM 281 CB LEU A 106 29.060 -6.624 -15.181 1.00 0.00 C ATOM 282 CG LEU A 106 28.533 -5.390 -15.940 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.312 -4.824 -15.211 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.613 -4.308 -16.005 1.00 0.00 C ATOM 0 H LEU A 106 28.209 -7.852 -17.113 1.00 0.00 H new ATOM 0 HA LEU A 106 30.750 -6.802 -16.501 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.223 -7.236 -14.845 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.601 -6.306 -14.289 1.00 0.00 H new ATOM 0 HG LEU A 106 28.260 -5.692 -16.951 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.940 -3.952 -15.748 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.531 -5.583 -15.166 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.595 -4.534 -14.199 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.228 -3.442 -16.544 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.893 -4.012 -14.994 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.488 -4.698 -16.524 1.00 0.00 H new ATOM 296 N VAL A 107 30.082 -9.730 -15.142 1.00 0.00 N ATOM 297 CA VAL A 107 30.691 -10.833 -14.408 1.00 0.00 C ATOM 298 C VAL A 107 31.843 -11.405 -15.228 1.00 0.00 C ATOM 299 O VAL A 107 32.877 -11.746 -14.679 1.00 0.00 O ATOM 300 CB VAL A 107 29.639 -11.909 -14.094 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.331 -13.230 -13.738 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.792 -11.456 -12.903 1.00 0.00 C ATOM 0 H VAL A 107 29.164 -9.941 -15.534 1.00 0.00 H new ATOM 0 HA VAL A 107 31.085 -10.471 -13.458 1.00 0.00 H new ATOM 0 HB VAL A 107 29.007 -12.055 -14.970 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.578 -13.987 -13.517 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.941 -13.559 -14.579 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.966 -13.084 -12.864 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.045 -12.217 -12.678 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.434 -11.310 -12.035 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.293 -10.518 -13.147 1.00 0.00 H new ATOM 312 N GLN A 108 31.673 -11.500 -16.547 1.00 0.00 N ATOM 313 CA GLN A 108 32.732 -11.990 -17.414 1.00 0.00 C ATOM 314 C GLN A 108 33.909 -11.004 -17.388 1.00 0.00 C ATOM 315 O GLN A 108 35.055 -11.395 -17.599 1.00 0.00 O ATOM 316 CB GLN A 108 32.181 -12.156 -18.836 1.00 0.00 C ATOM 317 CG GLN A 108 33.178 -12.940 -19.697 1.00 0.00 C ATOM 318 CD GLN A 108 32.621 -13.173 -21.097 1.00 0.00 C ATOM 319 OE1 GLN A 108 33.109 -12.598 -22.065 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.596 -14.020 -21.203 1.00 0.00 N ATOM 0 H GLN A 108 30.813 -11.244 -17.032 1.00 0.00 H new ATOM 0 HA GLN A 108 33.089 -12.959 -17.065 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.225 -12.678 -18.806 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.996 -11.178 -19.279 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.118 -12.392 -19.762 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.398 -13.897 -19.225 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.223 -14.476 -20.370 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.186 -14.212 -22.117 1.00 0.00 H new ATOM 329 N LYS A 109 33.611 -9.722 -17.129 1.00 0.00 N ATOM 330 CA LYS A 109 34.613 -8.669 -17.100 1.00 0.00 C ATOM 331 C LYS A 109 35.348 -8.634 -15.750 1.00 0.00 C ATOM 332 O LYS A 109 36.551 -8.876 -15.694 1.00 0.00 O ATOM 333 CB LYS A 109 33.907 -7.332 -17.368 1.00 0.00 C ATOM 334 CG LYS A 109 34.937 -6.212 -17.542 1.00 0.00 C ATOM 335 CD LYS A 109 34.208 -4.877 -17.715 1.00 0.00 C ATOM 336 CE LYS A 109 35.222 -3.730 -17.729 1.00 0.00 C ATOM 337 NZ LYS A 109 34.542 -2.422 -17.678 1.00 0.00 N ATOM 0 H LYS A 109 32.664 -9.395 -16.935 1.00 0.00 H new ATOM 0 HA LYS A 109 35.365 -8.859 -17.866 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.291 -7.411 -18.264 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.238 -7.094 -16.541 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.596 -6.170 -16.675 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.565 -6.412 -18.410 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.638 -4.881 -18.644 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.495 -4.734 -16.903 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.897 -3.826 -16.879 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.833 -3.791 -18.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.161 -1.693 -18.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.658 -2.469 -18.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 34.327 -2.181 -16.689 1.00 0.00 H new ATOM 351 N TYR A 110 34.622 -8.309 -14.671 1.00 0.00 N ATOM 352 CA TYR A 110 35.210 -8.153 -13.341 1.00 0.00 C ATOM 353 C TYR A 110 35.337 -9.489 -12.608 1.00 0.00 C ATOM 354 O TYR A 110 36.062 -9.574 -11.614 1.00 0.00 O ATOM 355 CB TYR A 110 34.330 -7.197 -12.530 1.00 0.00 C ATOM 356 CG TYR A 110 34.240 -5.814 -13.137 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.358 -4.962 -13.116 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.041 -5.384 -13.730 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.276 -3.682 -13.690 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.962 -4.108 -14.304 1.00 0.00 C ATOM 361 CZ TYR A 110 34.078 -3.257 -14.285 1.00 0.00 C ATOM 362 OH TYR A 110 33.999 -2.019 -14.854 1.00 0.00 O ATOM 0 H TYR A 110 33.615 -8.148 -14.699 1.00 0.00 H new ATOM 0 HA TYR A 110 36.217 -7.752 -13.453 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.328 -7.617 -12.448 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.727 -7.118 -11.518 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.280 -5.291 -12.659 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.181 -6.037 -13.743 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.134 -3.026 -13.673 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.041 -3.779 -14.762 1.00 0.00 H new ATOM 0 HH TYR A 110 33.427 -1.443 -14.306 1.00 0.00 H new ATOM 372 N GLY A 111 34.633 -10.519 -13.077 1.00 0.00 N ATOM 373 CA GLY A 111 34.639 -11.821 -12.428 1.00 0.00 C ATOM 374 C GLY A 111 33.463 -11.902 -11.452 1.00 0.00 C ATOM 375 O GLY A 111 32.791 -10.897 -11.213 1.00 0.00 O ATOM 0 H GLY A 111 34.048 -10.471 -13.911 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.564 -12.613 -13.173 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.579 -11.972 -11.897 1.00 0.00 H new ATOM 379 N PRO A 112 33.211 -13.093 -10.881 1.00 0.00 N ATOM 380 CA PRO A 112 32.146 -13.287 -9.918 1.00 0.00 C ATOM 381 C PRO A 112 32.364 -12.387 -8.697 1.00 0.00 C ATOM 382 O PRO A 112 33.436 -11.805 -8.534 1.00 0.00 O ATOM 383 CB PRO A 112 32.184 -14.773 -9.544 1.00 0.00 C ATOM 384 CG PRO A 112 33.365 -15.394 -10.300 1.00 0.00 C ATOM 385 CD PRO A 112 33.972 -14.287 -11.164 1.00 0.00 C ATOM 0 HA PRO A 112 31.171 -13.019 -10.325 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.306 -14.897 -8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.250 -15.264 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.104 -15.789 -9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.032 -16.228 -10.918 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.026 -14.142 -10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.915 -14.543 -12.222 1.00 0.00 H new ATOM 393 N LYS A 113 31.336 -12.274 -7.844 1.00 0.00 N ATOM 394 CA LYS A 113 31.386 -11.418 -6.659 1.00 0.00 C ATOM 395 C LYS A 113 31.517 -9.957 -7.107 1.00 0.00 C ATOM 396 O LYS A 113 31.121 -9.621 -8.218 1.00 0.00 O ATOM 397 CB LYS A 113 32.545 -11.835 -5.728 1.00 0.00 C ATOM 398 CG LYS A 113 32.558 -13.358 -5.515 1.00 0.00 C ATOM 399 CD LYS A 113 31.198 -13.836 -4.990 1.00 0.00 C ATOM 400 CE LYS A 113 31.286 -15.316 -4.612 1.00 0.00 C ATOM 401 NZ LYS A 113 29.974 -15.828 -4.178 1.00 0.00 N ATOM 0 H LYS A 113 30.453 -12.772 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 113 30.466 -11.530 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.495 -11.516 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.444 -11.330 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.790 -13.861 -6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.343 -13.626 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 113 30.904 -13.245 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.431 -13.689 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.641 -15.893 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 113 32.015 -15.448 -3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 30.031 -16.857 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 29.703 -15.374 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 29.261 -15.615 -4.904 1.00 0.00 H new ATOM 415 N ARG A 114 32.067 -9.091 -6.241 1.00 0.00 N ATOM 416 CA ARG A 114 32.240 -7.672 -6.555 1.00 0.00 C ATOM 417 C ARG A 114 30.898 -7.065 -6.976 1.00 0.00 C ATOM 418 O ARG A 114 30.828 -6.288 -7.929 1.00 0.00 O ATOM 419 CB ARG A 114 33.285 -7.507 -7.673 1.00 0.00 C ATOM 420 CG ARG A 114 34.592 -8.215 -7.291 1.00 0.00 C ATOM 421 CD ARG A 114 35.580 -8.135 -8.457 1.00 0.00 C ATOM 422 NE ARG A 114 36.000 -6.749 -8.701 1.00 0.00 N ATOM 423 CZ ARG A 114 36.839 -6.399 -9.692 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.280 -7.318 -10.562 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.236 -5.125 -9.809 1.00 0.00 N ATOM 0 H ARG A 114 32.400 -9.355 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 114 32.595 -7.147 -5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.899 -7.920 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.475 -6.448 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.023 -7.751 -6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.393 -9.257 -7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.453 -8.750 -8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.119 -8.542 -9.357 1.00 0.00 H new ATOM 0 HE ARG A 114 35.638 -6.017 -8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.979 -8.289 -10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 114 37.916 -7.047 -11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.902 -4.424 -9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.872 -4.856 -10.559 1.00 0.00 H new ATOM 439 N TRP A 115 29.832 -7.433 -6.261 1.00 0.00 N ATOM 440 CA TRP A 115 28.488 -6.975 -6.573 1.00 0.00 C ATOM 441 C TRP A 115 28.349 -5.477 -6.337 1.00 0.00 C ATOM 442 O TRP A 115 27.538 -4.829 -6.989 1.00 0.00 O ATOM 443 CB TRP A 115 27.497 -7.780 -5.739 1.00 0.00 C ATOM 444 CG TRP A 115 27.610 -9.248 -5.983 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.935 -10.179 -5.073 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.456 -9.968 -7.239 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.000 -11.425 -5.651 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.720 -11.352 -7.004 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.131 -9.593 -8.563 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.676 -12.303 -8.026 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.081 -10.551 -9.593 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.366 -11.895 -9.328 1.00 0.00 C ATOM 0 H TRP A 115 29.882 -8.055 -5.454 1.00 0.00 H new ATOM 0 HA TRP A 115 28.277 -7.137 -7.630 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.666 -7.576 -4.682 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.483 -7.453 -5.969 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.120 -9.977 -4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.224 -12.285 -5.151 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.918 -8.558 -8.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.879 -13.342 -7.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.821 -10.246 -10.596 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.347 -12.619 -10.130 1.00 0.00 H new ATOM 463 N SER A 116 29.143 -4.921 -5.421 1.00 0.00 N ATOM 464 CA SER A 116 29.118 -3.494 -5.157 1.00 0.00 C ATOM 465 C SER A 116 29.566 -2.729 -6.406 1.00 0.00 C ATOM 466 O SER A 116 29.107 -1.617 -6.652 1.00 0.00 O ATOM 467 CB SER A 116 30.037 -3.185 -3.973 1.00 0.00 C ATOM 468 OG SER A 116 29.701 -4.020 -2.885 1.00 0.00 O ATOM 0 H SER A 116 29.810 -5.443 -4.852 1.00 0.00 H new ATOM 0 HA SER A 116 28.104 -3.180 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.078 -3.341 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 116 29.938 -2.138 -3.686 1.00 0.00 H new ATOM 0 HG SER A 116 30.291 -3.823 -2.127 1.00 0.00 H new ATOM 474 N VAL A 117 30.465 -3.337 -7.193 1.00 0.00 N ATOM 475 CA VAL A 117 30.979 -2.726 -8.409 1.00 0.00 C ATOM 476 C VAL A 117 30.014 -2.994 -9.566 1.00 0.00 C ATOM 477 O VAL A 117 29.610 -2.068 -10.266 1.00 0.00 O ATOM 478 CB VAL A 117 32.375 -3.303 -8.706 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.931 -2.691 -9.992 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.323 -2.988 -7.544 1.00 0.00 C ATOM 0 H VAL A 117 30.850 -4.262 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 117 31.065 -1.647 -8.283 1.00 0.00 H new ATOM 0 HB VAL A 117 32.292 -4.383 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.919 -3.105 -10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.264 -2.921 -10.823 1.00 0.00 H new ATOM 0 HG13 VAL A 117 33.007 -1.610 -9.877 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.310 -3.398 -7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.398 -1.908 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 117 32.936 -3.434 -6.628 1.00 0.00 H new ATOM 490 N ILE A 118 29.648 -4.266 -9.763 1.00 0.00 N ATOM 491 CA ILE A 118 28.746 -4.664 -10.839 1.00 0.00 C ATOM 492 C ILE A 118 27.427 -3.885 -10.745 1.00 0.00 C ATOM 493 O ILE A 118 26.929 -3.391 -11.755 1.00 0.00 O ATOM 494 CB ILE A 118 28.503 -6.181 -10.750 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.788 -6.932 -11.140 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.362 -6.591 -11.691 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.750 -8.358 -10.594 1.00 0.00 C ATOM 0 H ILE A 118 29.969 -5.041 -9.182 1.00 0.00 H new ATOM 0 HA ILE A 118 29.196 -4.432 -11.804 1.00 0.00 H new ATOM 0 HB ILE A 118 28.227 -6.436 -9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.891 -6.953 -12.225 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.659 -6.407 -10.747 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.200 -7.666 -11.619 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.450 -6.066 -11.407 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.625 -6.332 -12.716 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.664 -8.880 -10.876 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.669 -8.330 -9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.890 -8.883 -11.008 1.00 0.00 H new ATOM 509 N ALA A 119 26.861 -3.777 -9.535 1.00 0.00 N ATOM 510 CA ALA A 119 25.595 -3.081 -9.330 1.00 0.00 C ATOM 511 C ALA A 119 25.694 -1.629 -9.801 1.00 0.00 C ATOM 512 O ALA A 119 24.791 -1.135 -10.476 1.00 0.00 O ATOM 513 CB ALA A 119 25.219 -3.138 -7.851 1.00 0.00 C ATOM 0 H ALA A 119 27.266 -4.166 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 119 24.820 -3.572 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.273 -2.619 -7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.117 -4.178 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 119 25.998 -2.658 -7.259 1.00 0.00 H new ATOM 519 N LYS A 120 26.791 -0.947 -9.446 1.00 0.00 N ATOM 520 CA LYS A 120 26.999 0.445 -9.828 1.00 0.00 C ATOM 521 C LYS A 120 26.985 0.594 -11.352 1.00 0.00 C ATOM 522 O LYS A 120 26.612 1.649 -11.864 1.00 0.00 O ATOM 523 CB LYS A 120 28.332 0.937 -9.255 1.00 0.00 C ATOM 524 CG LYS A 120 28.170 1.248 -7.761 1.00 0.00 C ATOM 525 CD LYS A 120 29.543 1.519 -7.125 1.00 0.00 C ATOM 526 CE LYS A 120 29.817 3.028 -7.058 1.00 0.00 C ATOM 527 NZ LYS A 120 29.880 3.629 -8.402 1.00 0.00 N ATOM 0 H LYS A 120 27.549 -1.345 -8.891 1.00 0.00 H new ATOM 0 HA LYS A 120 26.188 1.050 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.102 0.179 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.661 1.829 -9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.523 2.115 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 120 27.687 0.411 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 120 29.576 1.093 -6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.323 1.027 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 120 29.033 3.515 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.757 3.205 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 30.326 4.567 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.441 3.018 -9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 28.918 3.727 -8.784 1.00 0.00 H new ATOM 541 N HIS A 121 27.392 -0.457 -12.074 1.00 0.00 N ATOM 542 CA HIS A 121 27.437 -0.425 -13.529 1.00 0.00 C ATOM 543 C HIS A 121 26.098 -0.869 -14.109 1.00 0.00 C ATOM 544 O HIS A 121 25.783 -0.544 -15.253 1.00 0.00 O ATOM 545 CB HIS A 121 28.563 -1.336 -14.015 1.00 0.00 C ATOM 546 CG HIS A 121 29.886 -0.988 -13.392 1.00 0.00 C ATOM 547 ND1 HIS A 121 30.274 0.320 -13.138 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.929 -1.757 -12.950 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.494 0.260 -12.575 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.954 -0.981 -12.433 1.00 0.00 N ATOM 0 H HIS A 121 27.695 -1.341 -11.666 1.00 0.00 H new ATOM 0 HA HIS A 121 27.629 0.594 -13.866 1.00 0.00 H new ATOM 0 HB2 HIS A 121 28.316 -2.372 -13.783 1.00 0.00 H new ATOM 0 HB3 HIS A 121 28.644 -1.263 -15.100 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.738 1.164 -13.339 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.950 -2.836 -12.998 1.00 0.00 H new ATOM 0 HE1 HIS A 121 32.047 1.135 -12.268 1.00 0.00 H new ATOM 558 N LEU A 122 25.309 -1.610 -13.323 1.00 0.00 N ATOM 559 CA LEU A 122 24.020 -2.097 -13.774 1.00 0.00 C ATOM 560 C LEU A 122 22.985 -0.990 -13.686 1.00 0.00 C ATOM 561 O LEU A 122 22.096 -0.898 -14.529 1.00 0.00 O ATOM 562 CB LEU A 122 23.618 -3.314 -12.925 1.00 0.00 C ATOM 563 CG LEU A 122 22.408 -4.029 -13.535 1.00 0.00 C ATOM 564 CD1 LEU A 122 22.652 -4.324 -15.009 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.197 -5.344 -12.804 1.00 0.00 C ATOM 0 H LEU A 122 25.550 -1.881 -12.370 1.00 0.00 H new ATOM 0 HA LEU A 122 24.081 -2.407 -14.817 1.00 0.00 H new ATOM 0 HB2 LEU A 122 24.457 -4.006 -12.854 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.383 -2.993 -11.910 1.00 0.00 H new ATOM 0 HG LEU A 122 21.531 -3.388 -13.439 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.783 -4.832 -15.427 1.00 0.00 H new ATOM 0 HD12 LEU A 122 22.818 -3.389 -15.544 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.530 -4.962 -15.112 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.338 -5.863 -13.229 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.086 -5.966 -12.910 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.016 -5.148 -11.747 1.00 0.00 H new ATOM 577 N LYS A 123 23.136 -0.161 -12.663 1.00 0.00 N ATOM 578 CA LYS A 123 22.265 0.988 -12.397 1.00 0.00 C ATOM 579 C LYS A 123 20.858 0.521 -12.005 1.00 0.00 C ATOM 580 O LYS A 123 20.343 -0.458 -12.539 1.00 0.00 O ATOM 581 CB LYS A 123 22.215 1.927 -13.614 1.00 0.00 C ATOM 582 CG LYS A 123 23.634 2.383 -13.985 1.00 0.00 C ATOM 583 CD LYS A 123 23.608 3.178 -15.297 1.00 0.00 C ATOM 584 CE LYS A 123 22.879 4.512 -15.095 1.00 0.00 C ATOM 585 NZ LYS A 123 23.013 5.371 -16.285 1.00 0.00 N ATOM 0 H LYS A 123 23.883 -0.266 -11.976 1.00 0.00 H new ATOM 0 HA LYS A 123 22.681 1.546 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.756 1.415 -14.460 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.593 2.793 -13.390 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.047 2.999 -13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.287 1.516 -14.089 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.626 3.360 -15.640 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.109 2.597 -16.073 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.824 4.327 -14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.286 5.025 -14.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.511 6.268 -16.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.019 5.564 -16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 22.603 4.888 -17.110 1.00 0.00 H new ATOM 599 N GLY A 124 20.239 1.233 -11.054 1.00 0.00 N ATOM 600 CA GLY A 124 18.904 0.895 -10.576 1.00 0.00 C ATOM 601 C GLY A 124 18.928 -0.405 -9.764 1.00 0.00 C ATOM 602 O GLY A 124 17.874 -0.921 -9.395 1.00 0.00 O ATOM 0 H GLY A 124 20.650 2.050 -10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.517 1.707 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.226 0.787 -11.423 1.00 0.00 H new ATOM 606 N ARG A 125 20.134 -0.929 -9.490 1.00 0.00 N ATOM 607 CA ARG A 125 20.312 -2.162 -8.738 1.00 0.00 C ATOM 608 C ARG A 125 21.351 -1.926 -7.645 1.00 0.00 C ATOM 609 O ARG A 125 22.112 -0.961 -7.712 1.00 0.00 O ATOM 610 CB ARG A 125 20.778 -3.269 -9.692 1.00 0.00 C ATOM 611 CG ARG A 125 19.654 -3.622 -10.690 1.00 0.00 C ATOM 612 CD ARG A 125 19.259 -5.104 -10.578 1.00 0.00 C ATOM 613 NE ARG A 125 17.841 -5.248 -10.215 1.00 0.00 N ATOM 614 CZ ARG A 125 16.906 -5.816 -11.007 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.162 -6.108 -12.292 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.701 -6.090 -10.495 1.00 0.00 N ATOM 0 H ARG A 125 21.010 -0.501 -9.789 1.00 0.00 H new ATOM 0 HA ARG A 125 19.372 -2.467 -8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.666 -2.942 -10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 125 21.060 -4.155 -9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.783 -2.995 -10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.985 -3.406 -11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.448 -5.607 -11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.881 -5.594 -9.829 1.00 0.00 H new ATOM 0 HE ARG A 125 17.544 -4.896 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.078 -5.901 -12.689 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.440 -6.537 -12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.499 -5.870 -9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.984 -6.519 -11.080 1.00 0.00 H new ATOM 630 N ILE A 126 21.381 -2.811 -6.640 1.00 0.00 N ATOM 631 CA ILE A 126 22.329 -2.707 -5.534 1.00 0.00 C ATOM 632 C ILE A 126 23.001 -4.066 -5.303 1.00 0.00 C ATOM 633 O ILE A 126 22.712 -5.035 -6.014 1.00 0.00 O ATOM 634 CB ILE A 126 21.618 -2.183 -4.262 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.181 -2.725 -4.145 1.00 0.00 C ATOM 636 CG2 ILE A 126 21.564 -0.653 -4.312 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.197 -4.243 -3.996 1.00 0.00 C ATOM 0 H ILE A 126 20.752 -3.612 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 126 23.108 -1.987 -5.784 1.00 0.00 H new ATOM 0 HB ILE A 126 22.184 -2.526 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.684 -2.274 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 126 19.607 -2.446 -5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 126 21.064 -0.277 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 126 22.578 -0.254 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 126 21.011 -0.337 -5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.174 -4.611 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.675 -4.689 -4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 126 20.753 -4.515 -3.099 1.00 0.00 H new ATOM 649 N GLY A 127 23.911 -4.128 -4.317 1.00 0.00 N ATOM 650 CA GLY A 127 24.670 -5.338 -4.020 1.00 0.00 C ATOM 651 C GLY A 127 23.822 -6.366 -3.268 1.00 0.00 C ATOM 652 O GLY A 127 24.160 -6.749 -2.147 1.00 0.00 O ATOM 0 H GLY A 127 24.135 -3.340 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.035 -5.776 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.545 -5.082 -3.423 1.00 0.00 H new ATOM 656 N LYS A 128 22.733 -6.821 -3.892 1.00 0.00 N ATOM 657 CA LYS A 128 21.860 -7.834 -3.314 1.00 0.00 C ATOM 658 C LYS A 128 21.083 -8.510 -4.434 1.00 0.00 C ATOM 659 O LYS A 128 21.066 -9.731 -4.524 1.00 0.00 O ATOM 660 CB LYS A 128 20.909 -7.201 -2.292 1.00 0.00 C ATOM 661 CG LYS A 128 20.164 -8.303 -1.532 1.00 0.00 C ATOM 662 CD LYS A 128 19.261 -7.672 -0.467 1.00 0.00 C ATOM 663 CE LYS A 128 18.318 -8.732 0.116 1.00 0.00 C ATOM 664 NZ LYS A 128 19.068 -9.809 0.789 1.00 0.00 N ATOM 0 H LYS A 128 22.435 -6.495 -4.812 1.00 0.00 H new ATOM 0 HA LYS A 128 22.458 -8.580 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.470 -6.580 -1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.197 -6.549 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.567 -8.896 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.877 -8.981 -1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 128 19.869 -7.238 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.682 -6.859 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.636 -8.263 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.707 -9.155 -0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.405 -10.426 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.584 -10.368 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 19.744 -9.394 1.461 1.00 0.00 H new ATOM 678 N GLN A 129 20.446 -7.705 -5.290 1.00 0.00 N ATOM 679 CA GLN A 129 19.681 -8.217 -6.415 1.00 0.00 C ATOM 680 C GLN A 129 20.614 -8.927 -7.389 1.00 0.00 C ATOM 681 O GLN A 129 20.287 -9.996 -7.894 1.00 0.00 O ATOM 682 CB GLN A 129 18.963 -7.059 -7.108 1.00 0.00 C ATOM 683 CG GLN A 129 17.886 -6.490 -6.185 1.00 0.00 C ATOM 684 CD GLN A 129 17.203 -5.294 -6.833 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.480 -5.448 -7.815 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.435 -4.103 -6.287 1.00 0.00 N ATOM 0 H GLN A 129 20.450 -6.688 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 129 18.938 -8.932 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.679 -6.280 -7.370 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.512 -7.404 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.148 -7.260 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.333 -6.191 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 129 18.043 -4.025 -5.472 1.00 0.00 H new ATOM 0 HE22 GLN A 129 17.005 -3.268 -6.684 1.00 0.00 H new ATOM 695 N CYS A 130 21.781 -8.323 -7.650 1.00 0.00 N ATOM 696 CA CYS A 130 22.764 -8.903 -8.557 1.00 0.00 C ATOM 697 C CYS A 130 23.252 -10.239 -7.997 1.00 0.00 C ATOM 698 O CYS A 130 23.226 -11.251 -8.697 1.00 0.00 O ATOM 699 CB CYS A 130 23.936 -7.933 -8.743 1.00 0.00 C ATOM 700 SG CYS A 130 23.329 -6.401 -9.495 1.00 0.00 S ATOM 0 H CYS A 130 22.062 -7.431 -7.242 1.00 0.00 H new ATOM 0 HA CYS A 130 22.305 -9.079 -9.530 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.403 -7.720 -7.781 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.700 -8.385 -9.376 1.00 0.00 H new ATOM 0 HG CYS A 130 24.322 -5.760 -10.036 1.00 0.00 H new ATOM 706 N ARG A 131 23.691 -10.240 -6.727 1.00 0.00 N ATOM 707 CA ARG A 131 24.162 -11.452 -6.071 1.00 0.00 C ATOM 708 C ARG A 131 23.084 -12.525 -6.142 1.00 0.00 C ATOM 709 O ARG A 131 23.353 -13.648 -6.556 1.00 0.00 O ATOM 710 CB ARG A 131 24.505 -11.146 -4.607 1.00 0.00 C ATOM 711 CG ARG A 131 25.059 -12.410 -3.929 1.00 0.00 C ATOM 712 CD ARG A 131 25.009 -12.265 -2.406 1.00 0.00 C ATOM 713 NE ARG A 131 26.062 -11.353 -1.920 1.00 0.00 N ATOM 714 CZ ARG A 131 25.879 -10.032 -1.711 1.00 0.00 C ATOM 715 NH1 ARG A 131 24.685 -9.466 -1.919 1.00 0.00 N ATOM 716 NH2 ARG A 131 26.903 -9.279 -1.290 1.00 0.00 N ATOM 0 H ARG A 131 23.726 -9.407 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 131 25.057 -11.814 -6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.240 -10.343 -4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.616 -10.799 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 131 24.478 -13.280 -4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.086 -12.582 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.031 -11.888 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 131 25.129 -13.244 -1.941 1.00 0.00 H new ATOM 0 HE ARG A 131 26.985 -11.745 -1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.900 -10.034 -2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 131 24.559 -8.467 -1.758 1.00 0.00 H new ATOM 0 HH21 ARG A 131 27.816 -9.704 -1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 131 26.770 -8.280 -1.131 1.00 0.00 H new ATOM 730 N GLU A 132 21.864 -12.166 -5.727 1.00 0.00 N ATOM 731 CA GLU A 132 20.740 -13.078 -5.723 1.00 0.00 C ATOM 732 C GLU A 132 20.568 -13.678 -7.111 1.00 0.00 C ATOM 733 O GLU A 132 20.758 -14.872 -7.292 1.00 0.00 O ATOM 734 CB GLU A 132 19.481 -12.309 -5.287 1.00 0.00 C ATOM 735 CG GLU A 132 18.258 -13.233 -5.271 1.00 0.00 C ATOM 736 CD GLU A 132 16.980 -12.428 -5.063 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.943 -11.657 -4.080 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.059 -12.593 -5.895 1.00 0.00 O ATOM 0 H GLU A 132 21.639 -11.231 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 132 20.912 -13.895 -5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.634 -11.884 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.304 -11.476 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.199 -13.783 -6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.363 -13.971 -4.475 1.00 0.00 H new ATOM 745 N ARG A 133 20.209 -12.842 -8.085 1.00 0.00 N ATOM 746 CA ARG A 133 19.977 -13.288 -9.449 1.00 0.00 C ATOM 747 C ARG A 133 21.047 -14.290 -9.882 1.00 0.00 C ATOM 748 O ARG A 133 20.725 -15.336 -10.448 1.00 0.00 O ATOM 749 CB ARG A 133 19.976 -12.064 -10.378 1.00 0.00 C ATOM 750 CG ARG A 133 19.622 -12.474 -11.814 1.00 0.00 C ATOM 751 CD ARG A 133 18.171 -12.956 -11.883 1.00 0.00 C ATOM 752 NE ARG A 133 17.753 -13.149 -13.277 1.00 0.00 N ATOM 753 CZ ARG A 133 16.617 -13.775 -13.633 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.883 -14.410 -12.717 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.218 -13.760 -14.908 1.00 0.00 N ATOM 0 H ARG A 133 20.072 -11.841 -7.946 1.00 0.00 H new ATOM 0 HA ARG A 133 19.012 -13.791 -9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.258 -11.328 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.956 -11.588 -10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.765 -11.629 -12.487 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.292 -13.265 -12.150 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.067 -13.892 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.518 -12.229 -11.400 1.00 0.00 H new ATOM 0 HE ARG A 133 18.357 -12.789 -14.016 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.183 -14.422 -11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.022 -14.883 -12.992 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.775 -13.274 -15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.357 -14.235 -15.178 1.00 0.00 H new ATOM 769 N TRP A 134 22.316 -13.965 -9.623 1.00 0.00 N ATOM 770 CA TRP A 134 23.420 -14.801 -10.048 1.00 0.00 C ATOM 771 C TRP A 134 23.475 -16.127 -9.277 1.00 0.00 C ATOM 772 O TRP A 134 23.340 -17.194 -9.876 1.00 0.00 O ATOM 773 CB TRP A 134 24.733 -14.023 -9.909 1.00 0.00 C ATOM 774 CG TRP A 134 25.804 -14.520 -10.815 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.923 -15.168 -10.448 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.859 -14.437 -12.264 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.676 -15.502 -11.548 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.053 -15.080 -12.710 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.014 -13.890 -13.258 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.379 -15.184 -14.062 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.338 -13.996 -14.614 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.509 -14.650 -15.018 1.00 0.00 C ATOM 0 H TRP A 134 22.596 -13.124 -9.119 1.00 0.00 H new ATOM 0 HA TRP A 134 23.266 -15.062 -11.095 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.548 -12.969 -10.118 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.079 -14.087 -8.877 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.194 -15.395 -9.427 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.570 -15.993 -11.513 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.106 -13.384 -12.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.293 -15.671 -14.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.680 -13.570 -15.357 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.740 -14.742 -16.069 1.00 0.00 H new ATOM 793 N HIS A 135 23.690 -16.070 -7.957 1.00 0.00 N ATOM 794 CA HIS A 135 23.858 -17.273 -7.143 1.00 0.00 C ATOM 795 C HIS A 135 22.517 -17.945 -6.804 1.00 0.00 C ATOM 796 O HIS A 135 22.382 -18.544 -5.739 1.00 0.00 O ATOM 797 CB HIS A 135 24.625 -16.902 -5.868 1.00 0.00 C ATOM 798 CG HIS A 135 26.064 -16.549 -6.148 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.971 -17.464 -6.672 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.784 -15.393 -5.985 1.00 0.00 C ATOM 801 CE1 HIS A 135 28.150 -16.821 -6.787 1.00 0.00 C ATOM 802 NE2 HIS A 135 28.106 -15.551 -6.379 1.00 0.00 N ATOM 0 H HIS A 135 23.751 -15.198 -7.431 1.00 0.00 H new ATOM 0 HA HIS A 135 24.425 -18.004 -7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 135 24.134 -16.058 -5.384 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.588 -17.737 -5.168 1.00 0.00 H new ATOM 0 HD1 HIS A 135 26.781 -18.435 -6.921 1.00 0.00 H new ATOM 0 HD2 HIS A 135 26.373 -14.472 -5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 135 29.044 -17.288 -7.172 1.00 0.00 H new ATOM 810 N ASN A 136 21.537 -17.867 -7.715 1.00 0.00 N ATOM 811 CA ASN A 136 20.248 -18.535 -7.539 1.00 0.00 C ATOM 812 C ASN A 136 19.903 -19.265 -8.814 1.00 0.00 C ATOM 813 O ASN A 136 19.710 -20.479 -8.810 1.00 0.00 O ATOM 814 CB ASN A 136 19.145 -17.524 -7.215 1.00 0.00 C ATOM 815 CG ASN A 136 19.154 -17.166 -5.742 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.226 -17.504 -5.013 1.00 0.00 O ATOM 817 ND2 ASN A 136 20.202 -16.489 -5.302 1.00 0.00 N ATOM 0 H ASN A 136 21.618 -17.343 -8.586 1.00 0.00 H new ATOM 0 HA ASN A 136 20.323 -19.235 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.285 -16.623 -7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.174 -17.939 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 136 20.263 -16.226 -4.318 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.949 -16.230 -5.946 1.00 0.00 H new ATOM 824 N HIS A 137 19.820 -18.513 -9.908 1.00 0.00 N ATOM 825 CA HIS A 137 19.462 -19.087 -11.203 1.00 0.00 C ATOM 826 C HIS A 137 20.090 -18.303 -12.366 1.00 0.00 C ATOM 827 O HIS A 137 19.386 -17.878 -13.277 1.00 0.00 O ATOM 828 CB HIS A 137 17.930 -19.137 -11.317 1.00 0.00 C ATOM 829 CG HIS A 137 17.261 -17.885 -10.808 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.151 -17.916 -9.970 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.524 -16.553 -10.994 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.822 -16.634 -9.712 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.622 -15.750 -10.309 1.00 0.00 N ATOM 0 H HIS A 137 19.995 -17.508 -9.925 1.00 0.00 H new ATOM 0 HA HIS A 137 19.861 -20.099 -11.267 1.00 0.00 H new ATOM 0 HB2 HIS A 137 17.653 -19.292 -12.360 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.557 -19.995 -10.757 1.00 0.00 H new ATOM 0 HD1 HIS A 137 15.677 -18.748 -9.618 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.334 -16.174 -11.600 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.991 -16.351 -9.083 1.00 0.00 H new ATOM 841 N LEU A 138 21.420 -18.139 -12.338 1.00 0.00 N ATOM 842 CA LEU A 138 22.164 -17.490 -13.421 1.00 0.00 C ATOM 843 C LEU A 138 23.659 -17.675 -13.147 1.00 0.00 C ATOM 844 O LEU A 138 24.298 -16.809 -12.565 1.00 0.00 O ATOM 845 CB LEU A 138 21.794 -15.985 -13.521 1.00 0.00 C ATOM 846 CG LEU A 138 21.549 -15.549 -14.981 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.712 -15.984 -15.875 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.240 -16.138 -15.512 1.00 0.00 C ATOM 0 H LEU A 138 22.007 -18.452 -11.565 1.00 0.00 H new ATOM 0 HA LEU A 138 21.906 -17.944 -14.378 1.00 0.00 H new ATOM 0 HB2 LEU A 138 20.900 -15.791 -12.929 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.596 -15.385 -13.092 1.00 0.00 H new ATOM 0 HG LEU A 138 21.476 -14.462 -14.998 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.521 -15.668 -16.900 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.635 -15.526 -15.520 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.810 -17.069 -15.842 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.088 -15.817 -16.543 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.289 -17.226 -15.474 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.409 -15.791 -14.898 1.00 0.00 H new ATOM 860 N ASN A 139 24.221 -18.818 -13.559 1.00 0.00 N ATOM 861 CA ASN A 139 25.630 -19.097 -13.320 1.00 0.00 C ATOM 862 C ASN A 139 26.213 -19.971 -14.436 1.00 0.00 C ATOM 863 O ASN A 139 26.534 -21.134 -14.203 1.00 0.00 O ATOM 864 CB ASN A 139 25.773 -19.781 -11.951 1.00 0.00 C ATOM 865 CG ASN A 139 27.239 -20.022 -11.602 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.655 -21.160 -11.405 1.00 0.00 O ATOM 867 ND2 ASN A 139 28.020 -18.947 -11.524 1.00 0.00 N ATOM 0 H ASN A 139 23.721 -19.555 -14.055 1.00 0.00 H new ATOM 0 HA ASN A 139 26.191 -18.162 -13.318 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.311 -19.161 -11.182 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.238 -20.731 -11.959 1.00 0.00 H new ATOM 0 HD21 ASN A 139 29.008 -19.050 -11.292 1.00 0.00 H new ATOM 0 HD22 ASN A 139 27.631 -18.020 -11.696 1.00 0.00 H new ATOM 874 N PRO A 140 26.365 -19.414 -15.654 1.00 0.00 N ATOM 875 CA PRO A 140 26.965 -20.121 -16.761 1.00 0.00 C ATOM 876 C PRO A 140 28.469 -20.235 -16.516 1.00 0.00 C ATOM 877 O PRO A 140 28.981 -21.331 -16.298 1.00 0.00 O ATOM 878 CB PRO A 140 26.661 -19.273 -18.000 1.00 0.00 C ATOM 879 CG PRO A 140 26.227 -17.897 -17.481 1.00 0.00 C ATOM 880 CD PRO A 140 25.960 -18.062 -15.983 1.00 0.00 C ATOM 0 HA PRO A 140 26.578 -21.133 -16.884 1.00 0.00 H new ATOM 0 HB2 PRO A 140 27.540 -19.188 -18.639 1.00 0.00 H new ATOM 0 HB3 PRO A 140 25.873 -19.729 -18.600 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.004 -17.153 -17.657 1.00 0.00 H new ATOM 0 HG3 PRO A 140 25.332 -17.552 -17.999 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.525 -17.333 -15.403 1.00 0.00 H new ATOM 0 HD3 PRO A 140 24.906 -17.903 -15.754 1.00 0.00 H new ATOM 888 N GLU A 141 29.160 -19.078 -16.545 1.00 0.00 N ATOM 889 CA GLU A 141 30.598 -18.987 -16.300 1.00 0.00 C ATOM 890 C GLU A 141 31.342 -20.143 -16.974 1.00 0.00 C ATOM 891 O GLU A 141 32.099 -20.862 -16.334 1.00 0.00 O ATOM 892 CB GLU A 141 30.847 -18.962 -14.785 1.00 0.00 C ATOM 893 CG GLU A 141 30.142 -17.741 -14.170 1.00 0.00 C ATOM 894 CD GLU A 141 30.415 -17.627 -12.673 1.00 0.00 C ATOM 895 OE1 GLU A 141 30.817 -18.651 -12.081 1.00 0.00 O ATOM 896 OE2 GLU A 141 30.206 -16.513 -12.143 1.00 0.00 O ATOM 0 H GLU A 141 28.724 -18.177 -16.742 1.00 0.00 H new ATOM 0 HA GLU A 141 30.984 -18.066 -16.736 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.474 -19.879 -14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.917 -18.918 -14.582 1.00 0.00 H new ATOM 0 HG2 GLU A 141 30.480 -16.834 -14.672 1.00 0.00 H new ATOM 0 HG3 GLU A 141 29.068 -17.817 -14.339 1.00 0.00 H new HETATM 903 N NH2 A 142 31.126 -20.316 -18.273 1.00 0.00 N TER 906 NH2 A 142