USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 LYS NZ :NH3+ 151:sc= 0.0203 (180deg=0) USER MOD Set 1.2: A 90 HIS : no HD1:sc= 0.018 X(o=0.038,f=-0.3) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.696 K(o=-0.83,f=-2.3) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 179:sc= -0.136 (180deg=-0.137) USER MOD Set 3.1: A 36 ASN : amide:sc= 0.875 K(o=1.8,f=-1.3) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -115:sc= 0.941 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.526 K(o=0.53,f=-0.012) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0.0313 X(o=0.031,f=-0.24) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.0119 (180deg=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.046 F(o=-0.99,f=0.046) USER MOD Single : A 53 TYR OH : rot 148:sc= 0.0757 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 27:sc= 0.383 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 85:sc= -0.246 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 1.19 K(o=1.2,f=-0.087) USER MOD Single : A 84 TYR OH : rot -5:sc= 1.11 USER MOD Single : A 85 LYS NZ :NH3+ -176:sc=-0.00347 (180deg=-0.0428) USER MOD Single : A 89 GLN : amide:sc= -1.64! C(o=-1.6!,f=-1.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.072) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 15 17.689 -13.967 -15.560 1.00 0.00 N ATOM 2 CA ASP A 15 17.617 -13.605 -14.137 1.00 0.00 C ATOM 3 C ASP A 15 17.851 -14.766 -13.140 1.00 0.00 C ATOM 4 O ASP A 15 17.574 -14.649 -11.952 1.00 0.00 O ATOM 5 CB ASP A 15 16.349 -12.771 -13.900 1.00 0.00 C ATOM 6 CG ASP A 15 16.447 -11.373 -14.533 1.00 0.00 C ATOM 7 OD1 ASP A 15 16.587 -11.283 -15.783 1.00 0.00 O ATOM 8 OD2 ASP A 15 16.417 -10.401 -13.744 1.00 0.00 O ATOM 0 HA ASP A 15 18.479 -12.980 -13.903 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.488 -13.296 -14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.177 -12.672 -12.828 1.00 0.00 H new ATOM 13 N SER A 16 18.423 -15.870 -13.623 1.00 0.00 N ATOM 14 CA SER A 16 18.669 -17.135 -12.911 1.00 0.00 C ATOM 15 C SER A 16 20.146 -17.543 -12.865 1.00 0.00 C ATOM 16 O SER A 16 20.494 -18.594 -12.332 1.00 0.00 O ATOM 17 CB SER A 16 17.782 -18.240 -13.519 1.00 0.00 C ATOM 18 OG SER A 16 16.769 -18.542 -12.585 1.00 0.00 O ATOM 0 H SER A 16 18.751 -15.912 -14.588 1.00 0.00 H new ATOM 0 HA SER A 16 18.397 -16.983 -11.867 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.346 -17.905 -14.460 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.375 -19.128 -13.740 1.00 0.00 H new ATOM 0 HG SER A 16 16.188 -19.243 -12.948 1.00 0.00 H new ATOM 24 N VAL A 17 21.032 -16.709 -13.419 1.00 0.00 N ATOM 25 CA VAL A 17 22.454 -17.017 -13.597 1.00 0.00 C ATOM 26 C VAL A 17 23.310 -15.788 -13.287 1.00 0.00 C ATOM 27 O VAL A 17 22.828 -14.659 -13.322 1.00 0.00 O ATOM 28 CB VAL A 17 22.698 -17.560 -15.021 1.00 0.00 C ATOM 29 CG1 VAL A 17 21.669 -18.607 -15.472 1.00 0.00 C ATOM 30 CG2 VAL A 17 22.743 -16.442 -16.063 1.00 0.00 C ATOM 0 H VAL A 17 20.776 -15.783 -13.763 1.00 0.00 H new ATOM 0 HA VAL A 17 22.751 -17.795 -12.894 1.00 0.00 H new ATOM 0 HB VAL A 17 23.670 -18.048 -14.957 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.908 -18.940 -16.482 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.696 -19.459 -14.793 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.672 -18.166 -15.462 1.00 0.00 H new ATOM 0 HG21 VAL A 17 22.917 -16.871 -17.050 1.00 0.00 H new ATOM 0 HG22 VAL A 17 21.794 -15.906 -16.062 1.00 0.00 H new ATOM 0 HG23 VAL A 17 23.550 -15.751 -15.821 1.00 0.00 H new ATOM 40 N ILE A 18 24.605 -16.016 -13.059 1.00 0.00 N ATOM 41 CA ILE A 18 25.579 -14.981 -12.719 1.00 0.00 C ATOM 42 C ILE A 18 26.851 -15.135 -13.562 1.00 0.00 C ATOM 43 O ILE A 18 27.205 -16.226 -14.002 1.00 0.00 O ATOM 44 CB ILE A 18 25.894 -14.982 -11.201 1.00 0.00 C ATOM 45 CG1 ILE A 18 26.802 -16.164 -10.781 1.00 0.00 C ATOM 46 CG2 ILE A 18 24.590 -14.987 -10.370 1.00 0.00 C ATOM 47 CD1 ILE A 18 27.355 -16.063 -9.351 1.00 0.00 C ATOM 0 H ILE A 18 25.014 -16.949 -13.107 1.00 0.00 H new ATOM 0 HA ILE A 18 25.140 -14.011 -12.955 1.00 0.00 H new ATOM 0 HB ILE A 18 26.445 -14.064 -10.997 1.00 0.00 H new ATOM 0 HG12 ILE A 18 26.237 -17.091 -10.874 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.638 -16.229 -11.477 1.00 0.00 H new ATOM 0 HG21 ILE A 18 24.835 -14.988 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 18 24.004 -14.099 -10.607 1.00 0.00 H new ATOM 0 HG23 ILE A 18 24.010 -15.878 -10.609 1.00 0.00 H new ATOM 0 HD11 ILE A 18 27.980 -16.931 -9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 18 27.951 -15.155 -9.254 1.00 0.00 H new ATOM 0 HD13 ILE A 18 26.527 -16.031 -8.642 1.00 0.00 H new ATOM 59 N VAL A 19 27.569 -14.026 -13.733 1.00 0.00 N ATOM 60 CA VAL A 19 28.832 -13.944 -14.465 1.00 0.00 C ATOM 61 C VAL A 19 29.751 -12.943 -13.801 1.00 0.00 C ATOM 62 O VAL A 19 29.311 -12.087 -13.043 1.00 0.00 O ATOM 63 CB VAL A 19 28.606 -13.504 -15.919 1.00 0.00 C ATOM 64 CG1 VAL A 19 28.310 -14.711 -16.807 1.00 0.00 C ATOM 65 CG2 VAL A 19 27.465 -12.500 -16.067 1.00 0.00 C ATOM 0 H VAL A 19 27.276 -13.127 -13.351 1.00 0.00 H new ATOM 0 HA VAL A 19 29.281 -14.937 -14.457 1.00 0.00 H new ATOM 0 HB VAL A 19 29.529 -13.016 -16.231 1.00 0.00 H new ATOM 0 HG11 VAL A 19 28.153 -14.378 -17.833 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.152 -15.402 -16.775 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.413 -15.216 -16.448 1.00 0.00 H new ATOM 0 HG21 VAL A 19 27.354 -12.227 -17.116 1.00 0.00 H new ATOM 0 HG22 VAL A 19 26.538 -12.947 -15.708 1.00 0.00 H new ATOM 0 HG23 VAL A 19 27.687 -11.608 -15.482 1.00 0.00 H new ATOM 75 N VAL A 20 31.038 -13.038 -14.137 1.00 0.00 N ATOM 76 CA VAL A 20 32.106 -12.228 -13.556 1.00 0.00 C ATOM 77 C VAL A 20 33.033 -11.800 -14.682 1.00 0.00 C ATOM 78 O VAL A 20 33.522 -12.661 -15.404 1.00 0.00 O ATOM 79 CB VAL A 20 32.928 -13.047 -12.545 1.00 0.00 C ATOM 80 CG1 VAL A 20 33.959 -12.195 -11.795 1.00 0.00 C ATOM 81 CG2 VAL A 20 32.050 -13.835 -11.564 1.00 0.00 C ATOM 0 H VAL A 20 31.374 -13.698 -14.839 1.00 0.00 H new ATOM 0 HA VAL A 20 31.667 -11.372 -13.044 1.00 0.00 H new ATOM 0 HB VAL A 20 33.478 -13.774 -13.142 1.00 0.00 H new ATOM 0 HG11 VAL A 20 34.510 -12.823 -11.095 1.00 0.00 H new ATOM 0 HG12 VAL A 20 34.653 -11.752 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 20 33.448 -11.404 -11.247 1.00 0.00 H new ATOM 0 HG21 VAL A 20 32.684 -14.393 -10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 20 31.423 -13.144 -11.001 1.00 0.00 H new ATOM 0 HG23 VAL A 20 31.418 -14.529 -12.118 1.00 0.00 H new ATOM 91 N ASP A 21 33.298 -10.499 -14.791 1.00 0.00 N ATOM 92 CA ASP A 21 34.324 -9.938 -15.667 1.00 0.00 C ATOM 93 C ASP A 21 35.650 -9.678 -14.915 1.00 0.00 C ATOM 94 O ASP A 21 35.670 -9.587 -13.684 1.00 0.00 O ATOM 95 CB ASP A 21 33.786 -8.660 -16.346 1.00 0.00 C ATOM 96 CG ASP A 21 34.001 -8.752 -17.853 1.00 0.00 C ATOM 97 OD1 ASP A 21 35.111 -8.390 -18.296 1.00 0.00 O ATOM 98 OD2 ASP A 21 33.078 -9.256 -18.532 1.00 0.00 O ATOM 0 H ASP A 21 32.793 -9.790 -14.260 1.00 0.00 H new ATOM 0 HA ASP A 21 34.555 -10.670 -16.440 1.00 0.00 H new ATOM 0 HB2 ASP A 21 32.725 -8.539 -16.127 1.00 0.00 H new ATOM 0 HB3 ASP A 21 34.296 -7.783 -15.949 1.00 0.00 H new ATOM 103 N ASN A 22 36.740 -9.502 -15.682 1.00 0.00 N ATOM 104 CA ASN A 22 38.135 -9.260 -15.272 1.00 0.00 C ATOM 105 C ASN A 22 38.762 -10.409 -14.447 1.00 0.00 C ATOM 106 O ASN A 22 39.446 -10.167 -13.455 1.00 0.00 O ATOM 107 CB ASN A 22 38.265 -7.913 -14.538 1.00 0.00 C ATOM 108 CG ASN A 22 37.579 -6.718 -15.171 1.00 0.00 C ATOM 109 OD1 ASN A 22 37.446 -6.591 -16.377 1.00 0.00 O ATOM 110 ND2 ASN A 22 37.148 -5.783 -14.346 1.00 0.00 N ATOM 0 H ASN A 22 36.660 -9.528 -16.699 1.00 0.00 H new ATOM 0 HA ASN A 22 38.712 -9.220 -16.196 1.00 0.00 H new ATOM 0 HB2 ASN A 22 37.870 -8.036 -13.530 1.00 0.00 H new ATOM 0 HB3 ASN A 22 39.326 -7.682 -14.438 1.00 0.00 H new ATOM 0 HD21 ASN A 22 36.699 -4.945 -14.715 1.00 0.00 H new ATOM 0 HD22 ASN A 22 37.264 -5.898 -13.339 1.00 0.00 H new ATOM 117 N VAL A 23 38.546 -11.662 -14.864 1.00 0.00 N ATOM 118 CA VAL A 23 39.073 -12.882 -14.202 1.00 0.00 C ATOM 119 C VAL A 23 40.137 -13.586 -15.058 1.00 0.00 C ATOM 120 O VAL A 23 39.820 -14.520 -15.796 1.00 0.00 O ATOM 121 CB VAL A 23 37.940 -13.800 -13.690 1.00 0.00 C ATOM 122 CG1 VAL A 23 36.985 -14.221 -14.810 1.00 0.00 C ATOM 123 CG2 VAL A 23 38.476 -15.028 -12.933 1.00 0.00 C ATOM 0 H VAL A 23 37.987 -11.871 -15.691 1.00 0.00 H new ATOM 0 HA VAL A 23 39.603 -12.573 -13.301 1.00 0.00 H new ATOM 0 HB VAL A 23 37.370 -13.203 -12.978 1.00 0.00 H new ATOM 0 HG11 VAL A 23 36.206 -14.865 -14.401 1.00 0.00 H new ATOM 0 HG12 VAL A 23 36.529 -13.335 -15.251 1.00 0.00 H new ATOM 0 HG13 VAL A 23 37.539 -14.763 -15.576 1.00 0.00 H new ATOM 0 HG21 VAL A 23 37.640 -15.640 -12.594 1.00 0.00 H new ATOM 0 HG22 VAL A 23 39.111 -15.616 -13.596 1.00 0.00 H new ATOM 0 HG23 VAL A 23 39.057 -14.699 -12.072 1.00 0.00 H new ATOM 133 N PRO A 24 41.414 -13.150 -14.981 1.00 0.00 N ATOM 134 CA PRO A 24 42.510 -13.851 -15.632 1.00 0.00 C ATOM 135 C PRO A 24 42.737 -15.224 -14.988 1.00 0.00 C ATOM 136 O PRO A 24 42.586 -15.401 -13.775 1.00 0.00 O ATOM 137 CB PRO A 24 43.737 -12.938 -15.539 1.00 0.00 C ATOM 138 CG PRO A 24 43.455 -12.107 -14.288 1.00 0.00 C ATOM 139 CD PRO A 24 41.928 -11.983 -14.276 1.00 0.00 C ATOM 0 HA PRO A 24 42.289 -14.057 -16.679 1.00 0.00 H new ATOM 0 HB2 PRO A 24 44.660 -13.511 -15.443 1.00 0.00 H new ATOM 0 HB3 PRO A 24 43.841 -12.311 -16.425 1.00 0.00 H new ATOM 0 HG2 PRO A 24 43.825 -12.599 -13.388 1.00 0.00 H new ATOM 0 HG3 PRO A 24 43.936 -11.130 -14.338 1.00 0.00 H new ATOM 0 HD2 PRO A 24 41.549 -11.949 -13.254 1.00 0.00 H new ATOM 0 HD3 PRO A 24 41.609 -11.062 -14.765 1.00 0.00 H new ATOM 147 N GLN A 25 43.134 -16.199 -15.808 1.00 0.00 N ATOM 148 CA GLN A 25 43.609 -17.496 -15.326 1.00 0.00 C ATOM 149 C GLN A 25 44.918 -17.342 -14.533 1.00 0.00 C ATOM 150 O GLN A 25 45.653 -16.371 -14.690 1.00 0.00 O ATOM 151 CB GLN A 25 43.773 -18.446 -16.519 1.00 0.00 C ATOM 152 CG GLN A 25 44.025 -19.923 -16.161 1.00 0.00 C ATOM 153 CD GLN A 25 43.663 -20.833 -17.327 1.00 0.00 C ATOM 154 OE1 GLN A 25 42.683 -21.554 -17.277 1.00 0.00 O ATOM 155 NE2 GLN A 25 44.365 -20.787 -18.442 1.00 0.00 N ATOM 0 H GLN A 25 43.135 -16.111 -16.824 1.00 0.00 H new ATOM 0 HA GLN A 25 42.876 -17.921 -14.641 1.00 0.00 H new ATOM 0 HB2 GLN A 25 42.875 -18.387 -17.134 1.00 0.00 H new ATOM 0 HB3 GLN A 25 44.602 -18.092 -17.132 1.00 0.00 H new ATOM 0 HG2 GLN A 25 45.073 -20.064 -15.896 1.00 0.00 H new ATOM 0 HG3 GLN A 25 43.436 -20.195 -15.285 1.00 0.00 H new ATOM 0 HE21 GLN A 25 45.189 -20.189 -18.502 1.00 0.00 H new ATOM 0 HE22 GLN A 25 44.084 -21.350 -19.245 1.00 0.00 H new ATOM 164 N VAL A 26 45.220 -18.344 -13.705 1.00 0.00 N ATOM 165 CA VAL A 26 46.361 -18.400 -12.790 1.00 0.00 C ATOM 166 C VAL A 26 47.076 -19.739 -12.966 1.00 0.00 C ATOM 167 O VAL A 26 46.548 -20.667 -13.581 1.00 0.00 O ATOM 168 CB VAL A 26 45.892 -18.193 -11.332 1.00 0.00 C ATOM 169 CG1 VAL A 26 45.241 -16.817 -11.127 1.00 0.00 C ATOM 170 CG2 VAL A 26 44.933 -19.307 -10.880 1.00 0.00 C ATOM 0 H VAL A 26 44.643 -19.184 -13.652 1.00 0.00 H new ATOM 0 HA VAL A 26 47.062 -17.598 -13.021 1.00 0.00 H new ATOM 0 HB VAL A 26 46.787 -18.238 -10.711 1.00 0.00 H new ATOM 0 HG11 VAL A 26 44.926 -16.714 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 26 45.961 -16.035 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 26 44.373 -16.724 -11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 26 44.625 -19.127 -9.850 1.00 0.00 H new ATOM 0 HG22 VAL A 26 44.054 -19.315 -11.525 1.00 0.00 H new ATOM 0 HG23 VAL A 26 45.439 -20.271 -10.944 1.00 0.00 H new ATOM 180 N GLY A 27 48.290 -19.832 -12.423 1.00 0.00 N ATOM 181 CA GLY A 27 49.134 -21.022 -12.499 1.00 0.00 C ATOM 182 C GLY A 27 48.691 -22.180 -11.581 1.00 0.00 C ATOM 183 O GLY A 27 47.627 -22.126 -10.949 1.00 0.00 O ATOM 0 H GLY A 27 48.722 -19.065 -11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 27 49.148 -21.377 -13.529 1.00 0.00 H new ATOM 0 HA3 GLY A 27 50.157 -20.744 -12.244 1.00 0.00 H new ATOM 187 N PRO A 28 49.507 -23.251 -11.511 1.00 0.00 N ATOM 188 CA PRO A 28 49.250 -24.402 -10.654 1.00 0.00 C ATOM 189 C PRO A 28 49.239 -23.989 -9.171 1.00 0.00 C ATOM 190 O PRO A 28 49.604 -22.869 -8.815 1.00 0.00 O ATOM 191 CB PRO A 28 50.338 -25.430 -10.978 1.00 0.00 C ATOM 192 CG PRO A 28 51.499 -24.559 -11.451 1.00 0.00 C ATOM 193 CD PRO A 28 50.799 -23.399 -12.165 1.00 0.00 C ATOM 0 HA PRO A 28 48.266 -24.834 -10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 28 50.607 -26.023 -10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 28 50.016 -26.129 -11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 28 52.107 -24.210 -10.616 1.00 0.00 H new ATOM 0 HG3 PRO A 28 52.163 -25.103 -12.123 1.00 0.00 H new ATOM 0 HD2 PRO A 28 51.384 -22.482 -12.087 1.00 0.00 H new ATOM 0 HD3 PRO A 28 50.677 -23.610 -13.227 1.00 0.00 H new ATOM 201 N ASP A 29 48.775 -24.897 -8.307 1.00 0.00 N ATOM 202 CA ASP A 29 48.636 -24.699 -6.855 1.00 0.00 C ATOM 203 C ASP A 29 47.581 -23.630 -6.477 1.00 0.00 C ATOM 204 O ASP A 29 47.368 -23.343 -5.301 1.00 0.00 O ATOM 205 CB ASP A 29 50.020 -24.439 -6.230 1.00 0.00 C ATOM 206 CG ASP A 29 50.132 -24.979 -4.807 1.00 0.00 C ATOM 207 OD1 ASP A 29 50.108 -26.228 -4.666 1.00 0.00 O ATOM 208 OD2 ASP A 29 50.272 -24.157 -3.874 1.00 0.00 O ATOM 0 H ASP A 29 48.474 -25.824 -8.607 1.00 0.00 H new ATOM 0 HA ASP A 29 48.240 -25.620 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 29 50.788 -24.900 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.216 -23.367 -6.224 1.00 0.00 H new ATOM 213 N ARG A 30 46.887 -23.054 -7.467 1.00 0.00 N ATOM 214 CA ARG A 30 45.891 -21.977 -7.306 1.00 0.00 C ATOM 215 C ARG A 30 44.716 -22.041 -8.294 1.00 0.00 C ATOM 216 O ARG A 30 43.608 -21.642 -7.936 1.00 0.00 O ATOM 217 CB ARG A 30 46.633 -20.630 -7.383 1.00 0.00 C ATOM 218 CG ARG A 30 45.791 -19.355 -7.143 1.00 0.00 C ATOM 219 CD ARG A 30 44.915 -19.382 -5.885 1.00 0.00 C ATOM 220 NE ARG A 30 44.690 -18.025 -5.353 1.00 0.00 N ATOM 221 CZ ARG A 30 44.218 -17.733 -4.146 1.00 0.00 C ATOM 222 NH1 ARG A 30 43.771 -18.664 -3.332 1.00 0.00 N ATOM 223 NH2 ARG A 30 44.195 -16.488 -3.722 1.00 0.00 N ATOM 0 H ARG A 30 47.006 -23.333 -8.441 1.00 0.00 H new ATOM 0 HA ARG A 30 45.416 -22.102 -6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 30 47.442 -20.645 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 30 47.094 -20.552 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 30 46.464 -18.500 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 30 45.150 -19.193 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 30 43.957 -19.846 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 30 45.391 -19.999 -5.122 1.00 0.00 H new ATOM 0 HE ARG A 30 44.917 -17.242 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 30 43.781 -19.642 -3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 30 43.415 -18.408 -2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 30 44.541 -15.739 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 30 43.831 -16.272 -2.794 1.00 0.00 H new ATOM 237 N LEU A 31 44.915 -22.590 -9.498 1.00 0.00 N ATOM 238 CA LEU A 31 43.847 -22.756 -10.508 1.00 0.00 C ATOM 239 C LEU A 31 42.579 -23.469 -9.999 1.00 0.00 C ATOM 240 O LEU A 31 41.474 -23.152 -10.423 1.00 0.00 O ATOM 241 CB LEU A 31 44.405 -23.452 -11.764 1.00 0.00 C ATOM 242 CG LEU A 31 44.548 -24.996 -11.699 1.00 0.00 C ATOM 243 CD1 LEU A 31 45.066 -25.515 -13.038 1.00 0.00 C ATOM 244 CD2 LEU A 31 45.509 -25.468 -10.601 1.00 0.00 C ATOM 0 H LEU A 31 45.824 -22.935 -9.807 1.00 0.00 H new ATOM 0 HA LEU A 31 43.518 -21.747 -10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 31 43.758 -23.205 -12.606 1.00 0.00 H new ATOM 0 HB3 LEU A 31 45.386 -23.028 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 31 43.558 -25.389 -11.469 1.00 0.00 H new ATOM 0 HD11 LEU A 31 45.167 -26.599 -12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 31 44.364 -25.248 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.038 -25.069 -13.250 1.00 0.00 H new ATOM 0 HD21 LEU A 31 45.564 -26.557 -10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 31 46.501 -25.053 -10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 31 45.146 -25.130 -9.630 1.00 0.00 H new ATOM 256 N GLU A 32 42.745 -24.407 -9.063 1.00 0.00 N ATOM 257 CA GLU A 32 41.663 -25.184 -8.450 1.00 0.00 C ATOM 258 C GLU A 32 40.823 -24.274 -7.558 1.00 0.00 C ATOM 259 O GLU A 32 39.604 -24.209 -7.722 1.00 0.00 O ATOM 260 CB GLU A 32 42.236 -26.341 -7.615 1.00 0.00 C ATOM 261 CG GLU A 32 43.012 -27.375 -8.450 1.00 0.00 C ATOM 262 CD GLU A 32 42.280 -28.716 -8.475 1.00 0.00 C ATOM 263 OE1 GLU A 32 42.430 -29.470 -7.490 1.00 0.00 O ATOM 264 OE2 GLU A 32 41.534 -28.950 -9.454 1.00 0.00 O ATOM 0 H GLU A 32 43.665 -24.655 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 32 41.039 -25.600 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 32 42.897 -25.934 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 32 41.420 -26.843 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 32 43.138 -27.006 -9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 32 44.010 -27.509 -8.034 1.00 0.00 H new ATOM 271 N LYS A 33 41.510 -23.524 -6.673 1.00 0.00 N ATOM 272 CA LYS A 33 40.968 -22.499 -5.769 1.00 0.00 C ATOM 273 C LYS A 33 40.046 -21.560 -6.544 1.00 0.00 C ATOM 274 O LYS A 33 38.968 -21.273 -6.053 1.00 0.00 O ATOM 275 CB LYS A 33 42.080 -21.726 -5.016 1.00 0.00 C ATOM 276 CG LYS A 33 42.025 -21.919 -3.492 1.00 0.00 C ATOM 277 CD LYS A 33 42.455 -23.324 -3.039 1.00 0.00 C ATOM 278 CE LYS A 33 43.027 -23.266 -1.614 1.00 0.00 C ATOM 279 NZ LYS A 33 44.326 -23.961 -1.522 1.00 0.00 N ATOM 0 H LYS A 33 42.519 -23.627 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 33 40.384 -23.003 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.053 -22.053 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.994 -20.664 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.668 -21.179 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.009 -21.728 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 33 41.602 -24.002 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.203 -23.723 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.148 -22.226 -1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.321 -23.720 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.683 -23.902 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.205 -24.959 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.007 -23.512 -2.167 1.00 0.00 H new ATOM 293 N LEU A 34 40.406 -21.165 -7.766 1.00 0.00 N ATOM 294 CA LEU A 34 39.630 -20.278 -8.639 1.00 0.00 C ATOM 295 C LEU A 34 38.140 -20.659 -8.762 1.00 0.00 C ATOM 296 O LEU A 34 37.274 -19.797 -8.617 1.00 0.00 O ATOM 297 CB LEU A 34 40.305 -20.215 -10.021 1.00 0.00 C ATOM 298 CG LEU A 34 40.358 -18.806 -10.639 1.00 0.00 C ATOM 299 CD1 LEU A 34 41.286 -17.867 -9.850 1.00 0.00 C ATOM 300 CD2 LEU A 34 40.896 -18.963 -12.060 1.00 0.00 C ATOM 0 H LEU A 34 41.282 -21.466 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 34 39.628 -19.292 -8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 34 41.322 -20.598 -9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 34 39.772 -20.878 -10.703 1.00 0.00 H new ATOM 0 HG LEU A 34 39.361 -18.365 -10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 34 41.294 -16.884 -10.320 1.00 0.00 H new ATOM 0 HD12 LEU A 34 40.926 -17.776 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 34 42.297 -18.275 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 34 40.951 -17.985 -12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 34 41.891 -19.406 -12.025 1.00 0.00 H new ATOM 0 HD23 LEU A 34 40.230 -19.610 -12.632 1.00 0.00 H new ATOM 312 N LYS A 35 37.837 -21.942 -9.011 1.00 0.00 N ATOM 313 CA LYS A 35 36.465 -22.491 -9.020 1.00 0.00 C ATOM 314 C LYS A 35 36.050 -23.030 -7.644 1.00 0.00 C ATOM 315 O LYS A 35 34.878 -22.933 -7.282 1.00 0.00 O ATOM 316 CB LYS A 35 36.335 -23.497 -10.179 1.00 0.00 C ATOM 317 CG LYS A 35 35.011 -24.286 -10.243 1.00 0.00 C ATOM 318 CD LYS A 35 35.005 -25.526 -9.325 1.00 0.00 C ATOM 319 CE LYS A 35 34.333 -26.742 -9.976 1.00 0.00 C ATOM 320 NZ LYS A 35 34.878 -27.993 -9.417 1.00 0.00 N ATOM 0 H LYS A 35 38.549 -22.643 -9.216 1.00 0.00 H new ATOM 0 HA LYS A 35 35.744 -21.696 -9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 36.459 -22.958 -11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 35 37.157 -24.210 -10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 35 34.188 -23.628 -9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 35 34.831 -24.601 -11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 35 36.031 -25.782 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.487 -25.283 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.256 -26.702 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 35 34.492 -26.719 -11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.413 -28.806 -9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.902 -28.036 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.705 -28.020 -8.392 1.00 0.00 H new ATOM 334 N ASN A 36 36.986 -23.550 -6.841 1.00 0.00 N ATOM 335 CA ASN A 36 36.707 -24.012 -5.475 1.00 0.00 C ATOM 336 C ASN A 36 36.122 -22.888 -4.611 1.00 0.00 C ATOM 337 O ASN A 36 34.990 -23.032 -4.166 1.00 0.00 O ATOM 338 CB ASN A 36 37.967 -24.624 -4.829 1.00 0.00 C ATOM 339 CG ASN A 36 37.844 -26.119 -4.601 1.00 0.00 C ATOM 340 OD1 ASN A 36 37.985 -26.608 -3.494 1.00 0.00 O ATOM 341 ND2 ASN A 36 37.572 -26.889 -5.636 1.00 0.00 N ATOM 0 H ASN A 36 37.961 -23.663 -7.120 1.00 0.00 H new ATOM 0 HA ASN A 36 35.953 -24.797 -5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 36 38.829 -24.428 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 36 38.157 -24.130 -3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 36 37.479 -27.897 -5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 36 37.454 -26.477 -6.562 1.00 0.00 H new ATOM 348 N VAL A 37 36.840 -21.769 -4.435 1.00 0.00 N ATOM 349 CA VAL A 37 36.394 -20.596 -3.664 1.00 0.00 C ATOM 350 C VAL A 37 35.038 -20.113 -4.151 1.00 0.00 C ATOM 351 O VAL A 37 34.205 -19.784 -3.318 1.00 0.00 O ATOM 352 CB VAL A 37 37.403 -19.431 -3.616 1.00 0.00 C ATOM 353 CG1 VAL A 37 38.779 -19.871 -3.117 1.00 0.00 C ATOM 354 CG2 VAL A 37 37.520 -18.630 -4.916 1.00 0.00 C ATOM 0 H VAL A 37 37.771 -21.650 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 37 36.312 -20.947 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 37 36.977 -18.744 -2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 37 39.452 -19.014 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 37 38.688 -20.278 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 37 39.180 -20.635 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 37 38.252 -17.833 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 37 37.840 -19.290 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 37 36.551 -18.197 -5.165 1.00 0.00 H new ATOM 364 N ILE A 38 34.757 -20.187 -5.457 1.00 0.00 N ATOM 365 CA ILE A 38 33.430 -19.914 -6.014 1.00 0.00 C ATOM 366 C ILE A 38 32.343 -20.752 -5.314 1.00 0.00 C ATOM 367 O ILE A 38 31.309 -20.210 -4.931 1.00 0.00 O ATOM 368 CB ILE A 38 33.405 -20.004 -7.563 1.00 0.00 C ATOM 369 CG1 ILE A 38 33.341 -18.587 -8.172 1.00 0.00 C ATOM 370 CG2 ILE A 38 32.227 -20.821 -8.129 1.00 0.00 C ATOM 371 CD1 ILE A 38 34.660 -17.810 -8.080 1.00 0.00 C ATOM 0 H ILE A 38 35.450 -20.440 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 38 33.187 -18.874 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 38 34.323 -20.523 -7.838 1.00 0.00 H new ATOM 0 HG12 ILE A 38 33.049 -18.665 -9.219 1.00 0.00 H new ATOM 0 HG13 ILE A 38 32.560 -18.019 -7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 38 32.283 -20.835 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 38 32.277 -21.842 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE A 38 31.286 -20.365 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 38 34.534 -16.825 -8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 38 34.944 -17.698 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 38 35.441 -18.354 -8.612 1.00 0.00 H new ATOM 383 N HIS A 39 32.563 -22.052 -5.085 1.00 0.00 N ATOM 384 CA HIS A 39 31.576 -22.895 -4.390 1.00 0.00 C ATOM 385 C HIS A 39 31.402 -22.490 -2.923 1.00 0.00 C ATOM 386 O HIS A 39 30.279 -22.542 -2.432 1.00 0.00 O ATOM 387 CB HIS A 39 31.869 -24.396 -4.533 1.00 0.00 C ATOM 388 CG HIS A 39 31.390 -24.941 -5.859 1.00 0.00 C ATOM 389 ND1 HIS A 39 30.293 -25.758 -6.042 1.00 0.00 N ATOM 390 CD2 HIS A 39 31.888 -24.615 -7.087 1.00 0.00 C ATOM 391 CE1 HIS A 39 30.123 -25.917 -7.369 1.00 0.00 C ATOM 392 NE2 HIS A 39 31.081 -25.233 -8.021 1.00 0.00 N ATOM 0 H HIS A 39 33.411 -22.544 -5.368 1.00 0.00 H new ATOM 0 HA HIS A 39 30.624 -22.716 -4.890 1.00 0.00 H new ATOM 0 HB2 HIS A 39 32.941 -24.567 -4.436 1.00 0.00 H new ATOM 0 HB3 HIS A 39 31.385 -24.939 -3.721 1.00 0.00 H new ATOM 0 HD2 HIS A 39 32.748 -23.993 -7.289 1.00 0.00 H new ATOM 0 HE1 HIS A 39 29.343 -26.500 -7.835 1.00 0.00 H new ATOM 0 HE2 HIS A 39 31.192 -25.180 -9.034 1.00 0.00 H new ATOM 401 N LYS A 40 32.477 -22.071 -2.238 1.00 0.00 N ATOM 402 CA LYS A 40 32.418 -21.658 -0.823 1.00 0.00 C ATOM 403 C LYS A 40 31.803 -20.260 -0.662 1.00 0.00 C ATOM 404 O LYS A 40 30.856 -20.114 0.107 1.00 0.00 O ATOM 405 CB LYS A 40 33.779 -21.762 -0.111 1.00 0.00 C ATOM 406 CG LYS A 40 34.319 -23.199 0.029 1.00 0.00 C ATOM 407 CD LYS A 40 34.984 -23.709 -1.254 1.00 0.00 C ATOM 408 CE LYS A 40 35.990 -24.841 -1.033 1.00 0.00 C ATOM 409 NZ LYS A 40 35.684 -26.014 -1.872 1.00 0.00 N ATOM 0 H LYS A 40 33.410 -22.008 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 40 31.757 -22.369 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.508 -21.165 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 40 33.690 -21.323 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 40 35.040 -23.234 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 40 33.500 -23.866 0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 40 34.209 -24.055 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.492 -22.877 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.995 -24.484 -1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 40 35.984 -25.133 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.427 -26.818 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.890 -25.790 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 36.519 -26.262 -2.439 1.00 0.00 H new ATOM 423 N ILE A 41 32.282 -19.260 -1.416 1.00 0.00 N ATOM 424 CA ILE A 41 31.803 -17.869 -1.355 1.00 0.00 C ATOM 425 C ILE A 41 30.300 -17.772 -1.580 1.00 0.00 C ATOM 426 O ILE A 41 29.617 -16.994 -0.917 1.00 0.00 O ATOM 427 CB ILE A 41 32.530 -16.956 -2.368 1.00 0.00 C ATOM 428 CG1 ILE A 41 32.281 -15.465 -2.055 1.00 0.00 C ATOM 429 CG2 ILE A 41 32.209 -17.249 -3.837 1.00 0.00 C ATOM 430 CD1 ILE A 41 31.189 -14.703 -2.815 1.00 0.00 C ATOM 0 H ILE A 41 33.027 -19.397 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 41 32.031 -17.523 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 41 33.588 -17.187 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 41 32.052 -15.389 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 41 33.220 -14.937 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 41 32.763 -16.561 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 41 32.495 -18.274 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 41 31.140 -17.121 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 41 31.155 -13.671 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 41 31.410 -14.718 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 41 30.224 -15.177 -2.638 1.00 0.00 H new ATOM 442 N PHE A 42 29.798 -18.573 -2.521 1.00 0.00 N ATOM 443 CA PHE A 42 28.406 -18.571 -2.889 1.00 0.00 C ATOM 444 C PHE A 42 27.562 -19.529 -2.035 1.00 0.00 C ATOM 445 O PHE A 42 26.335 -19.495 -2.125 1.00 0.00 O ATOM 446 CB PHE A 42 28.295 -18.798 -4.397 1.00 0.00 C ATOM 447 CG PHE A 42 28.743 -17.623 -5.258 1.00 0.00 C ATOM 448 CD1 PHE A 42 28.191 -16.344 -5.066 1.00 0.00 C ATOM 449 CD2 PHE A 42 29.649 -17.815 -6.316 1.00 0.00 C ATOM 450 CE1 PHE A 42 28.569 -15.261 -5.870 1.00 0.00 C ATOM 451 CE2 PHE A 42 30.049 -16.726 -7.110 1.00 0.00 C ATOM 452 CZ PHE A 42 29.535 -15.441 -6.871 1.00 0.00 C ATOM 0 H PHE A 42 30.362 -19.242 -3.046 1.00 0.00 H new ATOM 0 HA PHE A 42 27.971 -17.596 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 42 28.890 -19.672 -4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 42 27.258 -19.032 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 42 27.462 -16.194 -4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 42 30.039 -18.802 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 42 28.118 -14.291 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 42 30.758 -16.879 -7.911 1.00 0.00 H new ATOM 0 HZ PHE A 42 29.880 -14.599 -7.453 1.00 0.00 H new ATOM 462 N SER A 43 28.189 -20.331 -1.159 1.00 0.00 N ATOM 463 CA SER A 43 27.524 -21.316 -0.311 1.00 0.00 C ATOM 464 C SER A 43 26.647 -20.655 0.754 1.00 0.00 C ATOM 465 O SER A 43 25.681 -21.263 1.205 1.00 0.00 O ATOM 466 CB SER A 43 28.522 -22.227 0.417 1.00 0.00 C ATOM 467 OG SER A 43 27.929 -23.502 0.557 1.00 0.00 O ATOM 0 H SER A 43 29.200 -20.306 -1.023 1.00 0.00 H new ATOM 0 HA SER A 43 26.910 -21.907 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 43 29.452 -22.299 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 43 28.772 -21.814 1.394 1.00 0.00 H new ATOM 0 HG SER A 43 28.550 -24.103 1.019 1.00 0.00 H new ATOM 473 N LYS A 44 26.956 -19.411 1.171 1.00 0.00 N ATOM 474 CA LYS A 44 26.125 -18.648 2.129 1.00 0.00 C ATOM 475 C LYS A 44 24.764 -18.224 1.559 1.00 0.00 C ATOM 476 O LYS A 44 23.853 -17.949 2.332 1.00 0.00 O ATOM 477 CB LYS A 44 26.874 -17.434 2.719 1.00 0.00 C ATOM 478 CG LYS A 44 27.399 -16.460 1.654 1.00 0.00 C ATOM 479 CD LYS A 44 28.058 -15.225 2.291 1.00 0.00 C ATOM 480 CE LYS A 44 29.315 -14.813 1.517 1.00 0.00 C ATOM 481 NZ LYS A 44 30.161 -13.902 2.319 1.00 0.00 N ATOM 0 H LYS A 44 27.785 -18.907 0.856 1.00 0.00 H new ATOM 0 HA LYS A 44 25.921 -19.346 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.206 -16.897 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.712 -17.790 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 28.122 -16.971 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 44 26.577 -16.144 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.349 -14.397 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.319 -15.441 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.886 -15.701 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.028 -14.323 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.691 -13.272 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 29.559 -13.333 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.828 -14.460 2.889 1.00 0.00 H new ATOM 495 N PHE A 45 24.613 -18.208 0.231 1.00 0.00 N ATOM 496 CA PHE A 45 23.365 -17.835 -0.454 1.00 0.00 C ATOM 497 C PHE A 45 22.555 -19.055 -0.922 1.00 0.00 C ATOM 498 O PHE A 45 21.401 -18.900 -1.312 1.00 0.00 O ATOM 499 CB PHE A 45 23.662 -16.922 -1.660 1.00 0.00 C ATOM 500 CG PHE A 45 24.760 -15.893 -1.434 1.00 0.00 C ATOM 501 CD1 PHE A 45 24.614 -14.851 -0.499 1.00 0.00 C ATOM 502 CD2 PHE A 45 25.977 -16.030 -2.115 1.00 0.00 C ATOM 503 CE1 PHE A 45 25.671 -13.949 -0.267 1.00 0.00 C ATOM 504 CE2 PHE A 45 27.039 -15.135 -1.883 1.00 0.00 C ATOM 505 CZ PHE A 45 26.880 -14.083 -0.970 1.00 0.00 C ATOM 0 H PHE A 45 25.365 -18.457 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 45 22.760 -17.300 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.939 -17.546 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.746 -16.399 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.687 -14.742 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.102 -16.832 -2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.552 -13.153 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 45 27.975 -15.259 -2.408 1.00 0.00 H new ATOM 0 HZ PHE A 45 27.683 -13.379 -0.808 1.00 0.00 H new ATOM 515 N GLY A 46 23.145 -20.259 -0.910 1.00 0.00 N ATOM 516 CA GLY A 46 22.519 -21.479 -1.410 1.00 0.00 C ATOM 517 C GLY A 46 23.560 -22.498 -1.881 1.00 0.00 C ATOM 518 O GLY A 46 24.632 -22.627 -1.300 1.00 0.00 O ATOM 0 H GLY A 46 24.086 -20.409 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.906 -21.922 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.851 -21.233 -2.235 1.00 0.00 H new ATOM 522 N LYS A 47 23.228 -23.246 -2.940 1.00 0.00 N ATOM 523 CA LYS A 47 24.087 -24.259 -3.569 1.00 0.00 C ATOM 524 C LYS A 47 24.116 -24.021 -5.085 1.00 0.00 C ATOM 525 O LYS A 47 23.063 -23.912 -5.714 1.00 0.00 O ATOM 526 CB LYS A 47 23.552 -25.661 -3.211 1.00 0.00 C ATOM 527 CG LYS A 47 24.610 -26.758 -3.442 1.00 0.00 C ATOM 528 CD LYS A 47 25.396 -27.088 -2.163 1.00 0.00 C ATOM 529 CE LYS A 47 26.623 -27.946 -2.484 1.00 0.00 C ATOM 530 NZ LYS A 47 27.359 -28.302 -1.255 1.00 0.00 N ATOM 0 H LYS A 47 22.322 -23.160 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 47 25.111 -24.187 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.238 -25.674 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.669 -25.877 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.121 -27.660 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.303 -26.434 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.710 -26.165 -1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.751 -27.616 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 47 26.311 -28.854 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.282 -27.404 -3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 28.185 -28.883 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 27.676 -27.435 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.735 -28.839 -0.620 1.00 0.00 H new ATOM 544 N ILE A 48 25.318 -23.888 -5.654 1.00 0.00 N ATOM 545 CA ILE A 48 25.519 -23.792 -7.109 1.00 0.00 C ATOM 546 C ILE A 48 25.289 -25.161 -7.756 1.00 0.00 C ATOM 547 O ILE A 48 25.700 -26.184 -7.210 1.00 0.00 O ATOM 548 CB ILE A 48 26.934 -23.264 -7.447 1.00 0.00 C ATOM 549 CG1 ILE A 48 27.172 -21.912 -6.735 1.00 0.00 C ATOM 550 CG2 ILE A 48 27.115 -23.086 -8.965 1.00 0.00 C ATOM 551 CD1 ILE A 48 27.956 -22.077 -5.428 1.00 0.00 C ATOM 0 H ILE A 48 26.185 -23.843 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 48 24.797 -23.081 -7.509 1.00 0.00 H new ATOM 0 HB ILE A 48 27.661 -23.998 -7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 48 27.716 -21.243 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.212 -21.440 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 48 28.119 -22.714 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 48 26.974 -24.045 -9.463 1.00 0.00 H new ATOM 0 HG23 ILE A 48 26.380 -22.372 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE A 48 28.099 -21.101 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 48 27.400 -22.724 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 48 28.927 -22.523 -5.640 1.00 0.00 H new ATOM 563 N THR A 49 24.664 -25.149 -8.932 1.00 0.00 N ATOM 564 CA THR A 49 24.366 -26.331 -9.750 1.00 0.00 C ATOM 565 C THR A 49 25.117 -26.347 -11.085 1.00 0.00 C ATOM 566 O THR A 49 25.465 -27.421 -11.565 1.00 0.00 O ATOM 567 CB THR A 49 22.848 -26.458 -9.961 1.00 0.00 C ATOM 568 OG1 THR A 49 22.538 -27.493 -10.862 1.00 0.00 O ATOM 569 CG2 THR A 49 22.194 -25.182 -10.482 1.00 0.00 C ATOM 0 H THR A 49 24.337 -24.283 -9.361 1.00 0.00 H new ATOM 0 HA THR A 49 24.725 -27.200 -9.199 1.00 0.00 H new ATOM 0 HB THR A 49 22.451 -26.673 -8.969 1.00 0.00 H new ATOM 0 HG1 THR A 49 21.566 -27.549 -10.974 1.00 0.00 H new ATOM 0 HG21 THR A 49 21.124 -25.346 -10.607 1.00 0.00 H new ATOM 0 HG22 THR A 49 22.356 -24.373 -9.770 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.634 -24.914 -11.442 1.00 0.00 H new ATOM 577 N ASN A 50 25.448 -25.184 -11.659 1.00 0.00 N ATOM 578 CA ASN A 50 26.097 -25.079 -12.955 1.00 0.00 C ATOM 579 C ASN A 50 27.274 -24.106 -12.855 1.00 0.00 C ATOM 580 O ASN A 50 27.117 -23.024 -12.289 1.00 0.00 O ATOM 581 CB ASN A 50 25.059 -24.513 -13.920 1.00 0.00 C ATOM 582 CG ASN A 50 24.172 -25.554 -14.551 1.00 0.00 C ATOM 583 OD1 ASN A 50 22.974 -25.725 -14.044 1.00 0.00 O flip ATOM 584 ND2 ASN A 50 24.531 -26.189 -15.524 1.00 0.00 N flip ATOM 0 H ASN A 50 25.266 -24.280 -11.223 1.00 0.00 H new ATOM 0 HA ASN A 50 26.468 -26.047 -13.292 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.436 -23.796 -13.386 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.573 -23.964 -14.708 1.00 0.00 H new ATOM 0 HD21 ASN A 50 25.465 -26.047 -15.909 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.898 -26.863 -15.955 1.00 0.00 H new ATOM 591 N ASP A 51 28.420 -24.463 -13.443 1.00 0.00 N ATOM 592 CA ASP A 51 29.673 -23.716 -13.391 1.00 0.00 C ATOM 593 C ASP A 51 30.549 -23.960 -14.637 1.00 0.00 C ATOM 594 O ASP A 51 30.920 -25.092 -14.936 1.00 0.00 O ATOM 595 CB ASP A 51 30.424 -24.077 -12.094 1.00 0.00 C ATOM 596 CG ASP A 51 30.268 -25.520 -11.590 1.00 0.00 C ATOM 597 OD1 ASP A 51 30.889 -26.432 -12.171 1.00 0.00 O ATOM 598 OD2 ASP A 51 29.564 -25.703 -10.562 1.00 0.00 O ATOM 0 H ASP A 51 28.499 -25.319 -13.992 1.00 0.00 H new ATOM 0 HA ASP A 51 29.441 -22.651 -13.389 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.485 -23.883 -12.249 1.00 0.00 H new ATOM 0 HB3 ASP A 51 30.088 -23.402 -11.306 1.00 0.00 H new ATOM 603 N PHE A 52 30.903 -22.892 -15.365 1.00 0.00 N ATOM 604 CA PHE A 52 31.698 -22.940 -16.594 1.00 0.00 C ATOM 605 C PHE A 52 32.712 -21.786 -16.642 1.00 0.00 C ATOM 606 O PHE A 52 32.405 -20.631 -16.336 1.00 0.00 O ATOM 607 CB PHE A 52 30.771 -22.887 -17.816 1.00 0.00 C ATOM 608 CG PHE A 52 29.568 -23.816 -17.746 1.00 0.00 C ATOM 609 CD1 PHE A 52 29.683 -25.170 -18.121 1.00 0.00 C ATOM 610 CD2 PHE A 52 28.338 -23.337 -17.254 1.00 0.00 C ATOM 611 CE1 PHE A 52 28.575 -26.029 -18.013 1.00 0.00 C ATOM 612 CE2 PHE A 52 27.225 -24.193 -17.175 1.00 0.00 C ATOM 613 CZ PHE A 52 27.344 -25.543 -17.539 1.00 0.00 C ATOM 0 H PHE A 52 30.634 -21.943 -15.105 1.00 0.00 H new ATOM 0 HA PHE A 52 32.256 -23.876 -16.607 1.00 0.00 H new ATOM 0 HB2 PHE A 52 30.416 -21.864 -17.940 1.00 0.00 H new ATOM 0 HB3 PHE A 52 31.351 -23.133 -18.705 1.00 0.00 H new ATOM 0 HD1 PHE A 52 30.624 -25.548 -18.492 1.00 0.00 H new ATOM 0 HD2 PHE A 52 28.249 -22.309 -16.936 1.00 0.00 H new ATOM 0 HE1 PHE A 52 28.670 -27.067 -18.296 1.00 0.00 H new ATOM 0 HE2 PHE A 52 26.275 -23.810 -16.833 1.00 0.00 H new ATOM 0 HZ PHE A 52 26.495 -26.205 -17.455 1.00 0.00 H new ATOM 623 N TYR A 53 33.944 -22.114 -17.048 1.00 0.00 N ATOM 624 CA TYR A 53 35.089 -21.192 -17.078 1.00 0.00 C ATOM 625 C TYR A 53 35.610 -21.069 -18.520 1.00 0.00 C ATOM 626 O TYR A 53 36.616 -21.689 -18.863 1.00 0.00 O ATOM 627 CB TYR A 53 36.160 -21.649 -16.077 1.00 0.00 C ATOM 628 CG TYR A 53 35.875 -21.257 -14.620 1.00 0.00 C ATOM 629 CD1 TYR A 53 34.700 -21.669 -13.963 1.00 0.00 C ATOM 630 CD2 TYR A 53 36.775 -20.423 -13.933 1.00 0.00 C ATOM 631 CE1 TYR A 53 34.401 -21.220 -12.665 1.00 0.00 C ATOM 632 CE2 TYR A 53 36.514 -19.999 -12.623 1.00 0.00 C ATOM 633 CZ TYR A 53 35.309 -20.377 -11.992 1.00 0.00 C ATOM 634 OH TYR A 53 34.996 -19.916 -10.741 1.00 0.00 O ATOM 0 H TYR A 53 34.180 -23.051 -17.373 1.00 0.00 H new ATOM 0 HA TYR A 53 34.785 -20.193 -16.764 1.00 0.00 H new ATOM 0 HB2 TYR A 53 36.257 -22.733 -16.137 1.00 0.00 H new ATOM 0 HB3 TYR A 53 37.120 -21.227 -16.373 1.00 0.00 H new ATOM 0 HD1 TYR A 53 34.018 -22.340 -14.464 1.00 0.00 H new ATOM 0 HD2 TYR A 53 37.683 -20.104 -14.423 1.00 0.00 H new ATOM 0 HE1 TYR A 53 33.481 -21.519 -12.186 1.00 0.00 H new ATOM 0 HE2 TYR A 53 37.232 -19.386 -12.098 1.00 0.00 H new ATOM 0 HH TYR A 53 35.817 -19.806 -10.218 1.00 0.00 H new ATOM 644 N PRO A 54 34.910 -20.317 -19.396 1.00 0.00 N ATOM 645 CA PRO A 54 35.257 -20.232 -20.814 1.00 0.00 C ATOM 646 C PRO A 54 36.587 -19.498 -21.025 1.00 0.00 C ATOM 647 O PRO A 54 36.852 -18.494 -20.372 1.00 0.00 O ATOM 648 CB PRO A 54 34.086 -19.491 -21.473 1.00 0.00 C ATOM 649 CG PRO A 54 33.515 -18.642 -20.336 1.00 0.00 C ATOM 650 CD PRO A 54 33.720 -19.522 -19.109 1.00 0.00 C ATOM 0 HA PRO A 54 35.403 -21.219 -21.254 1.00 0.00 H new ATOM 0 HB2 PRO A 54 34.420 -18.873 -22.306 1.00 0.00 H new ATOM 0 HB3 PRO A 54 33.344 -20.184 -21.868 1.00 0.00 H new ATOM 0 HG2 PRO A 54 34.039 -17.691 -20.241 1.00 0.00 H new ATOM 0 HG3 PRO A 54 32.462 -18.412 -20.495 1.00 0.00 H new ATOM 0 HD2 PRO A 54 33.858 -18.919 -18.212 1.00 0.00 H new ATOM 0 HD3 PRO A 54 32.854 -20.160 -18.934 1.00 0.00 H new ATOM 658 N GLU A 55 37.395 -19.968 -21.978 1.00 0.00 N ATOM 659 CA GLU A 55 38.726 -19.441 -22.309 1.00 0.00 C ATOM 660 C GLU A 55 38.774 -18.893 -23.742 1.00 0.00 C ATOM 661 O GLU A 55 37.875 -19.121 -24.546 1.00 0.00 O ATOM 662 CB GLU A 55 39.781 -20.547 -22.094 1.00 0.00 C ATOM 663 CG GLU A 55 40.105 -20.756 -20.607 1.00 0.00 C ATOM 664 CD GLU A 55 41.002 -21.978 -20.383 1.00 0.00 C ATOM 665 OE1 GLU A 55 42.239 -21.834 -20.536 1.00 0.00 O ATOM 666 OE2 GLU A 55 40.434 -23.049 -20.061 1.00 0.00 O ATOM 0 H GLU A 55 37.131 -20.759 -22.566 1.00 0.00 H new ATOM 0 HA GLU A 55 38.949 -18.605 -21.646 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.417 -21.482 -22.520 1.00 0.00 H new ATOM 0 HB3 GLU A 55 40.693 -20.286 -22.630 1.00 0.00 H new ATOM 0 HG2 GLU A 55 40.599 -19.867 -20.215 1.00 0.00 H new ATOM 0 HG3 GLU A 55 39.178 -20.879 -20.047 1.00 0.00 H new ATOM 673 N GLU A 56 39.857 -18.183 -24.065 1.00 0.00 N ATOM 674 CA GLU A 56 40.114 -17.588 -25.376 1.00 0.00 C ATOM 675 C GLU A 56 41.311 -18.286 -26.025 1.00 0.00 C ATOM 676 O GLU A 56 42.403 -18.301 -25.466 1.00 0.00 O ATOM 677 CB GLU A 56 40.278 -16.062 -25.255 1.00 0.00 C ATOM 678 CG GLU A 56 41.346 -15.590 -24.248 1.00 0.00 C ATOM 679 CD GLU A 56 41.400 -14.063 -24.092 1.00 0.00 C ATOM 680 OE1 GLU A 56 40.322 -13.425 -24.147 1.00 0.00 O ATOM 681 OE2 GLU A 56 42.524 -13.542 -23.910 1.00 0.00 O ATOM 0 H GLU A 56 40.605 -18.001 -23.396 1.00 0.00 H new ATOM 0 HA GLU A 56 39.260 -17.741 -26.036 1.00 0.00 H new ATOM 0 HB2 GLU A 56 40.527 -15.661 -26.238 1.00 0.00 H new ATOM 0 HB3 GLU A 56 39.318 -15.632 -24.969 1.00 0.00 H new ATOM 0 HG2 GLU A 56 41.144 -16.041 -23.276 1.00 0.00 H new ATOM 0 HG3 GLU A 56 42.323 -15.950 -24.569 1.00 0.00 H new ATOM 688 N ASP A 57 41.089 -18.947 -27.167 1.00 0.00 N ATOM 689 CA ASP A 57 42.099 -19.714 -27.907 1.00 0.00 C ATOM 690 C ASP A 57 42.877 -20.744 -27.051 1.00 0.00 C ATOM 691 O ASP A 57 44.005 -21.104 -27.382 1.00 0.00 O ATOM 692 CB ASP A 57 42.994 -18.742 -28.699 1.00 0.00 C ATOM 693 CG ASP A 57 42.201 -17.935 -29.732 1.00 0.00 C ATOM 694 OD1 ASP A 57 41.568 -18.586 -30.595 1.00 0.00 O ATOM 695 OD2 ASP A 57 42.239 -16.688 -29.659 1.00 0.00 O ATOM 0 H ASP A 57 40.173 -18.964 -27.616 1.00 0.00 H new ATOM 0 HA ASP A 57 41.580 -20.355 -28.619 1.00 0.00 H new ATOM 0 HB2 ASP A 57 43.486 -18.059 -28.007 1.00 0.00 H new ATOM 0 HB3 ASP A 57 43.779 -19.304 -29.205 1.00 0.00 H new ATOM 700 N GLY A 58 42.297 -21.216 -25.932 1.00 0.00 N ATOM 701 CA GLY A 58 42.965 -22.139 -25.005 1.00 0.00 C ATOM 702 C GLY A 58 43.951 -21.447 -24.042 1.00 0.00 C ATOM 703 O GLY A 58 44.828 -22.112 -23.493 1.00 0.00 O ATOM 0 H GLY A 58 41.350 -20.966 -25.648 1.00 0.00 H new ATOM 0 HA2 GLY A 58 42.209 -22.664 -24.421 1.00 0.00 H new ATOM 0 HA3 GLY A 58 43.502 -22.892 -25.581 1.00 0.00 H new ATOM 707 N LYS A 59 43.843 -20.121 -23.878 1.00 0.00 N ATOM 708 CA LYS A 59 44.710 -19.243 -23.086 1.00 0.00 C ATOM 709 C LYS A 59 43.936 -18.681 -21.885 1.00 0.00 C ATOM 710 O LYS A 59 42.769 -18.988 -21.660 1.00 0.00 O ATOM 711 CB LYS A 59 45.234 -18.086 -23.971 1.00 0.00 C ATOM 712 CG LYS A 59 45.879 -18.536 -25.299 1.00 0.00 C ATOM 713 CD LYS A 59 45.940 -17.396 -26.326 1.00 0.00 C ATOM 714 CE LYS A 59 47.156 -16.479 -26.136 1.00 0.00 C ATOM 715 NZ LYS A 59 48.177 -16.716 -27.179 1.00 0.00 N ATOM 0 H LYS A 59 43.092 -19.598 -24.329 1.00 0.00 H new ATOM 0 HA LYS A 59 45.558 -19.820 -22.717 1.00 0.00 H new ATOM 0 HB2 LYS A 59 44.406 -17.413 -24.194 1.00 0.00 H new ATOM 0 HB3 LYS A 59 45.966 -17.513 -23.402 1.00 0.00 H new ATOM 0 HG2 LYS A 59 46.887 -18.904 -25.106 1.00 0.00 H new ATOM 0 HG3 LYS A 59 45.310 -19.368 -25.714 1.00 0.00 H new ATOM 0 HD2 LYS A 59 45.966 -17.820 -27.330 1.00 0.00 H new ATOM 0 HD3 LYS A 59 45.029 -16.801 -26.254 1.00 0.00 H new ATOM 0 HE2 LYS A 59 46.837 -15.437 -26.167 1.00 0.00 H new ATOM 0 HE3 LYS A 59 47.592 -16.650 -25.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 48.986 -16.081 -27.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 48.498 -17.704 -27.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 47.766 -16.529 -28.116 1.00 0.00 H new ATOM 729 N THR A 60 44.600 -17.829 -21.098 1.00 0.00 N ATOM 730 CA THR A 60 44.033 -17.181 -19.910 1.00 0.00 C ATOM 731 C THR A 60 42.665 -16.542 -20.224 1.00 0.00 C ATOM 732 O THR A 60 42.584 -15.591 -21.003 1.00 0.00 O ATOM 733 CB THR A 60 44.995 -16.142 -19.289 1.00 0.00 C ATOM 734 OG1 THR A 60 45.282 -15.113 -20.222 1.00 0.00 O ATOM 735 CG2 THR A 60 46.323 -16.729 -18.787 1.00 0.00 C ATOM 0 H THR A 60 45.569 -17.564 -21.273 1.00 0.00 H new ATOM 0 HA THR A 60 43.885 -17.964 -19.167 1.00 0.00 H new ATOM 0 HB THR A 60 44.467 -15.752 -18.419 1.00 0.00 H new ATOM 0 HG1 THR A 60 44.533 -15.020 -20.847 1.00 0.00 H new ATOM 0 HG21 THR A 60 46.937 -15.932 -18.367 1.00 0.00 H new ATOM 0 HG22 THR A 60 46.123 -17.476 -18.019 1.00 0.00 H new ATOM 0 HG23 THR A 60 46.852 -17.195 -19.618 1.00 0.00 H new ATOM 743 N LYS A 61 41.591 -17.059 -19.612 1.00 0.00 N ATOM 744 CA LYS A 61 40.250 -16.463 -19.651 1.00 0.00 C ATOM 745 C LYS A 61 40.206 -15.017 -19.139 1.00 0.00 C ATOM 746 O LYS A 61 41.173 -14.516 -18.575 1.00 0.00 O ATOM 747 CB LYS A 61 39.263 -17.378 -18.917 1.00 0.00 C ATOM 748 CG LYS A 61 39.578 -17.663 -17.434 1.00 0.00 C ATOM 749 CD LYS A 61 39.111 -19.083 -17.048 1.00 0.00 C ATOM 750 CE LYS A 61 40.262 -20.015 -16.637 1.00 0.00 C ATOM 751 NZ LYS A 61 40.563 -19.934 -15.194 1.00 0.00 N ATOM 0 H LYS A 61 41.631 -17.919 -19.066 1.00 0.00 H new ATOM 0 HA LYS A 61 39.950 -16.388 -20.696 1.00 0.00 H new ATOM 0 HB2 LYS A 61 38.271 -16.931 -18.977 1.00 0.00 H new ATOM 0 HB3 LYS A 61 39.217 -18.329 -19.447 1.00 0.00 H new ATOM 0 HG2 LYS A 61 40.649 -17.565 -17.258 1.00 0.00 H new ATOM 0 HG3 LYS A 61 39.082 -16.926 -16.802 1.00 0.00 H new ATOM 0 HD2 LYS A 61 38.400 -19.012 -16.225 1.00 0.00 H new ATOM 0 HD3 LYS A 61 38.580 -19.524 -17.891 1.00 0.00 H new ATOM 0 HE2 LYS A 61 40.004 -21.042 -16.895 1.00 0.00 H new ATOM 0 HE3 LYS A 61 41.155 -19.758 -17.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 41.334 -20.592 -14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 40.852 -18.964 -14.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 39.715 -20.188 -14.648 1.00 0.00 H new ATOM 765 N GLY A 62 39.056 -14.378 -19.341 1.00 0.00 N ATOM 766 CA GLY A 62 38.744 -13.051 -18.830 1.00 0.00 C ATOM 767 C GLY A 62 37.365 -12.929 -18.181 1.00 0.00 C ATOM 768 O GLY A 62 37.125 -11.916 -17.528 1.00 0.00 O ATOM 0 H GLY A 62 38.293 -14.785 -19.882 1.00 0.00 H new ATOM 0 HA2 GLY A 62 39.502 -12.770 -18.099 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.811 -12.335 -19.649 1.00 0.00 H new ATOM 772 N TYR A 63 36.487 -13.940 -18.278 1.00 0.00 N ATOM 773 CA TYR A 63 35.189 -13.959 -17.613 1.00 0.00 C ATOM 774 C TYR A 63 34.858 -15.393 -17.142 1.00 0.00 C ATOM 775 O TYR A 63 35.433 -16.352 -17.658 1.00 0.00 O ATOM 776 CB TYR A 63 34.125 -13.307 -18.524 1.00 0.00 C ATOM 777 CG TYR A 63 33.199 -14.229 -19.306 1.00 0.00 C ATOM 778 CD1 TYR A 63 33.603 -14.764 -20.545 1.00 0.00 C ATOM 779 CD2 TYR A 63 31.899 -14.495 -18.829 1.00 0.00 C ATOM 780 CE1 TYR A 63 32.704 -15.516 -21.326 1.00 0.00 C ATOM 781 CE2 TYR A 63 30.995 -15.251 -19.598 1.00 0.00 C ATOM 782 CZ TYR A 63 31.388 -15.751 -20.858 1.00 0.00 C ATOM 783 OH TYR A 63 30.492 -16.466 -21.611 1.00 0.00 O ATOM 0 H TYR A 63 36.669 -14.777 -18.831 1.00 0.00 H new ATOM 0 HA TYR A 63 35.205 -13.355 -16.706 1.00 0.00 H new ATOM 0 HB2 TYR A 63 33.506 -12.658 -17.905 1.00 0.00 H new ATOM 0 HB3 TYR A 63 34.643 -12.667 -19.239 1.00 0.00 H new ATOM 0 HD1 TYR A 63 34.610 -14.596 -20.899 1.00 0.00 H new ATOM 0 HD2 TYR A 63 31.594 -14.115 -17.865 1.00 0.00 H new ATOM 0 HE1 TYR A 63 33.018 -15.913 -22.280 1.00 0.00 H new ATOM 0 HE2 TYR A 63 30.001 -15.448 -19.224 1.00 0.00 H new ATOM 0 HH TYR A 63 29.639 -16.529 -21.132 1.00 0.00 H new ATOM 793 N ILE A 64 33.916 -15.558 -16.207 1.00 0.00 N ATOM 794 CA ILE A 64 33.320 -16.858 -15.801 1.00 0.00 C ATOM 795 C ILE A 64 31.791 -16.834 -15.934 1.00 0.00 C ATOM 796 O ILE A 64 31.196 -15.759 -15.912 1.00 0.00 O ATOM 797 CB ILE A 64 33.696 -17.287 -14.357 1.00 0.00 C ATOM 798 CG1 ILE A 64 32.982 -16.458 -13.257 1.00 0.00 C ATOM 799 CG2 ILE A 64 35.203 -17.271 -14.100 1.00 0.00 C ATOM 800 CD1 ILE A 64 31.958 -17.282 -12.466 1.00 0.00 C ATOM 0 H ILE A 64 33.527 -14.771 -15.688 1.00 0.00 H new ATOM 0 HA ILE A 64 33.743 -17.594 -16.485 1.00 0.00 H new ATOM 0 HB ILE A 64 33.341 -18.315 -14.291 1.00 0.00 H new ATOM 0 HG12 ILE A 64 33.727 -16.055 -12.570 1.00 0.00 H new ATOM 0 HG13 ILE A 64 32.480 -15.607 -13.717 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.400 -17.580 -13.074 1.00 0.00 H new ATOM 0 HG22 ILE A 64 35.697 -17.958 -14.787 1.00 0.00 H new ATOM 0 HG23 ILE A 64 35.588 -16.263 -14.256 1.00 0.00 H new ATOM 0 HD11 ILE A 64 31.489 -16.652 -11.710 1.00 0.00 H new ATOM 0 HD12 ILE A 64 31.195 -17.663 -13.145 1.00 0.00 H new ATOM 0 HD13 ILE A 64 32.461 -18.118 -11.980 1.00 0.00 H new ATOM 812 N PHE A 65 31.152 -18.012 -15.981 1.00 0.00 N ATOM 813 CA PHE A 65 29.708 -18.203 -16.096 1.00 0.00 C ATOM 814 C PHE A 65 29.226 -19.264 -15.089 1.00 0.00 C ATOM 815 O PHE A 65 29.639 -20.420 -15.147 1.00 0.00 O ATOM 816 CB PHE A 65 29.377 -18.608 -17.546 1.00 0.00 C ATOM 817 CG PHE A 65 27.925 -19.016 -17.801 1.00 0.00 C ATOM 818 CD1 PHE A 65 26.857 -18.258 -17.278 1.00 0.00 C ATOM 819 CD2 PHE A 65 27.621 -20.177 -18.544 1.00 0.00 C ATOM 820 CE1 PHE A 65 25.525 -18.636 -17.512 1.00 0.00 C ATOM 821 CE2 PHE A 65 26.283 -20.564 -18.761 1.00 0.00 C ATOM 822 CZ PHE A 65 25.229 -19.791 -18.251 1.00 0.00 C ATOM 0 H PHE A 65 31.657 -18.897 -15.937 1.00 0.00 H new ATOM 0 HA PHE A 65 29.187 -17.275 -15.861 1.00 0.00 H new ATOM 0 HB2 PHE A 65 29.622 -17.773 -18.203 1.00 0.00 H new ATOM 0 HB3 PHE A 65 30.024 -19.438 -17.830 1.00 0.00 H new ATOM 0 HD1 PHE A 65 27.066 -17.376 -16.690 1.00 0.00 H new ATOM 0 HD2 PHE A 65 28.423 -20.776 -18.951 1.00 0.00 H new ATOM 0 HE1 PHE A 65 24.721 -18.032 -17.119 1.00 0.00 H new ATOM 0 HE2 PHE A 65 26.068 -21.461 -19.323 1.00 0.00 H new ATOM 0 HZ PHE A 65 24.203 -20.081 -18.425 1.00 0.00 H new ATOM 832 N LEU A 66 28.338 -18.871 -14.168 1.00 0.00 N ATOM 833 CA LEU A 66 27.717 -19.733 -13.161 1.00 0.00 C ATOM 834 C LEU A 66 26.190 -19.664 -13.271 1.00 0.00 C ATOM 835 O LEU A 66 25.620 -18.609 -13.535 1.00 0.00 O ATOM 836 CB LEU A 66 28.194 -19.281 -11.765 1.00 0.00 C ATOM 837 CG LEU A 66 29.011 -20.341 -11.016 1.00 0.00 C ATOM 838 CD1 LEU A 66 30.412 -20.518 -11.607 1.00 0.00 C ATOM 839 CD2 LEU A 66 29.141 -19.919 -9.551 1.00 0.00 C ATOM 0 H LEU A 66 28.021 -17.904 -14.103 1.00 0.00 H new ATOM 0 HA LEU A 66 28.011 -20.770 -13.323 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.797 -18.380 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.325 -19.014 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 66 28.488 -21.293 -11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 66 30.951 -21.279 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 66 30.331 -20.828 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 66 30.953 -19.573 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 66 29.720 -20.665 -9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.646 -18.955 -9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 66 28.149 -19.836 -9.107 1.00 0.00 H new ATOM 851 N GLU A 67 25.503 -20.765 -12.976 1.00 0.00 N ATOM 852 CA GLU A 67 24.047 -20.807 -12.938 1.00 0.00 C ATOM 853 C GLU A 67 23.567 -21.480 -11.641 1.00 0.00 C ATOM 854 O GLU A 67 24.086 -22.511 -11.196 1.00 0.00 O ATOM 855 CB GLU A 67 23.513 -21.407 -14.257 1.00 0.00 C ATOM 856 CG GLU A 67 22.149 -22.110 -14.127 1.00 0.00 C ATOM 857 CD GLU A 67 21.647 -22.756 -15.421 1.00 0.00 C ATOM 858 OE1 GLU A 67 22.121 -22.364 -16.510 1.00 0.00 O ATOM 859 OE2 GLU A 67 20.781 -23.650 -15.301 1.00 0.00 O ATOM 0 H GLU A 67 25.945 -21.657 -12.756 1.00 0.00 H new ATOM 0 HA GLU A 67 23.618 -19.806 -12.892 1.00 0.00 H new ATOM 0 HB2 GLU A 67 23.429 -20.611 -14.997 1.00 0.00 H new ATOM 0 HB3 GLU A 67 24.242 -22.122 -14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 67 22.221 -22.877 -13.356 1.00 0.00 H new ATOM 0 HG3 GLU A 67 21.410 -21.384 -13.787 1.00 0.00 H new ATOM 866 N TYR A 68 22.553 -20.865 -11.027 1.00 0.00 N ATOM 867 CA TYR A 68 21.881 -21.370 -9.841 1.00 0.00 C ATOM 868 C TYR A 68 20.607 -22.139 -10.200 1.00 0.00 C ATOM 869 O TYR A 68 20.032 -21.998 -11.274 1.00 0.00 O ATOM 870 CB TYR A 68 21.520 -20.205 -8.916 1.00 0.00 C ATOM 871 CG TYR A 68 22.720 -19.604 -8.223 1.00 0.00 C ATOM 872 CD1 TYR A 68 23.225 -20.178 -7.038 1.00 0.00 C ATOM 873 CD2 TYR A 68 23.312 -18.446 -8.742 1.00 0.00 C ATOM 874 CE1 TYR A 68 24.273 -19.558 -6.344 1.00 0.00 C ATOM 875 CE2 TYR A 68 24.360 -17.823 -8.053 1.00 0.00 C ATOM 876 CZ TYR A 68 24.846 -18.380 -6.862 1.00 0.00 C ATOM 877 OH TYR A 68 25.875 -17.760 -6.230 1.00 0.00 O ATOM 0 H TYR A 68 22.171 -19.978 -11.355 1.00 0.00 H new ATOM 0 HA TYR A 68 22.564 -22.054 -9.338 1.00 0.00 H new ATOM 0 HB2 TYR A 68 21.018 -19.431 -9.496 1.00 0.00 H new ATOM 0 HB3 TYR A 68 20.810 -20.552 -8.165 1.00 0.00 H new ATOM 0 HD1 TYR A 68 22.803 -21.099 -6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 68 22.960 -18.033 -9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 68 24.638 -19.980 -5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 68 24.794 -16.913 -8.440 1.00 0.00 H new ATOM 0 HH TYR A 68 26.721 -18.175 -6.499 1.00 0.00 H new ATOM 887 N ALA A 69 20.124 -22.911 -9.224 1.00 0.00 N ATOM 888 CA ALA A 69 18.893 -23.693 -9.319 1.00 0.00 C ATOM 889 C ALA A 69 17.618 -22.828 -9.205 1.00 0.00 C ATOM 890 O ALA A 69 16.531 -23.341 -9.437 1.00 0.00 O ATOM 891 CB ALA A 69 18.937 -24.780 -8.234 1.00 0.00 C ATOM 0 H ALA A 69 20.592 -23.011 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 69 18.840 -24.147 -10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 69 18.028 -25.380 -8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 69 19.804 -25.421 -8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 69 19.011 -24.312 -7.253 1.00 0.00 H new ATOM 897 N SER A 70 17.753 -21.534 -8.856 1.00 0.00 N ATOM 898 CA SER A 70 16.654 -20.581 -8.651 1.00 0.00 C ATOM 899 C SER A 70 17.069 -19.116 -8.896 1.00 0.00 C ATOM 900 O SER A 70 18.221 -18.756 -8.631 1.00 0.00 O ATOM 901 CB SER A 70 16.136 -20.701 -7.210 1.00 0.00 C ATOM 902 OG SER A 70 14.969 -21.493 -7.216 1.00 0.00 O ATOM 0 H SER A 70 18.669 -21.111 -8.704 1.00 0.00 H new ATOM 0 HA SER A 70 15.882 -20.834 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.896 -21.151 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.921 -19.713 -6.802 1.00 0.00 H new ATOM 0 HG SER A 70 14.628 -21.580 -6.301 1.00 0.00 H new ATOM 908 N PRO A 71 16.125 -18.238 -9.303 1.00 0.00 N ATOM 909 CA PRO A 71 16.385 -16.824 -9.565 1.00 0.00 C ATOM 910 C PRO A 71 16.821 -16.096 -8.294 1.00 0.00 C ATOM 911 O PRO A 71 17.837 -15.405 -8.298 1.00 0.00 O ATOM 912 CB PRO A 71 15.092 -16.248 -10.159 1.00 0.00 C ATOM 913 CG PRO A 71 14.006 -17.185 -9.623 1.00 0.00 C ATOM 914 CD PRO A 71 14.722 -18.533 -9.548 1.00 0.00 C ATOM 0 HA PRO A 71 17.210 -16.694 -10.265 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.927 -15.219 -9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.117 -16.244 -11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.643 -16.866 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.142 -17.223 -10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.309 -19.148 -8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.598 -19.091 -10.476 1.00 0.00 H new ATOM 922 N ALA A 72 16.114 -16.341 -7.182 1.00 0.00 N ATOM 923 CA ALA A 72 16.386 -15.798 -5.852 1.00 0.00 C ATOM 924 C ALA A 72 17.824 -16.050 -5.369 1.00 0.00 C ATOM 925 O ALA A 72 18.298 -15.315 -4.513 1.00 0.00 O ATOM 926 CB ALA A 72 15.371 -16.379 -4.860 1.00 0.00 C ATOM 0 H ALA A 72 15.298 -16.953 -7.190 1.00 0.00 H new ATOM 0 HA ALA A 72 16.283 -14.715 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.566 -15.980 -3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.362 -16.106 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.463 -17.465 -4.840 1.00 0.00 H new ATOM 932 N HIS A 73 18.538 -17.046 -5.914 1.00 0.00 N ATOM 933 CA HIS A 73 19.945 -17.299 -5.576 1.00 0.00 C ATOM 934 C HIS A 73 20.864 -16.406 -6.424 1.00 0.00 C ATOM 935 O HIS A 73 21.723 -15.726 -5.872 1.00 0.00 O ATOM 936 CB HIS A 73 20.290 -18.776 -5.793 1.00 0.00 C ATOM 937 CG HIS A 73 19.612 -19.783 -4.887 1.00 0.00 C ATOM 938 ND1 HIS A 73 20.050 -21.079 -4.696 1.00 0.00 N ATOM 939 CD2 HIS A 73 18.484 -19.602 -4.132 1.00 0.00 C ATOM 940 CE1 HIS A 73 19.194 -21.679 -3.847 1.00 0.00 C ATOM 941 NE2 HIS A 73 18.234 -20.800 -3.496 1.00 0.00 N ATOM 0 H HIS A 73 18.156 -17.697 -6.600 1.00 0.00 H new ATOM 0 HA HIS A 73 20.098 -17.059 -4.524 1.00 0.00 H new ATOM 0 HB2 HIS A 73 20.048 -19.032 -6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 73 21.368 -18.892 -5.681 1.00 0.00 H new ATOM 0 HD2 HIS A 73 17.902 -18.696 -4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 73 19.265 -22.700 -3.503 1.00 0.00 H new ATOM 0 HE2 HIS A 73 17.454 -20.989 -2.866 1.00 0.00 H new ATOM 950 N ALA A 74 20.652 -16.370 -7.747 1.00 0.00 N ATOM 951 CA ALA A 74 21.404 -15.538 -8.686 1.00 0.00 C ATOM 952 C ALA A 74 21.266 -14.044 -8.357 1.00 0.00 C ATOM 953 O ALA A 74 22.272 -13.370 -8.135 1.00 0.00 O ATOM 954 CB ALA A 74 20.935 -15.846 -10.115 1.00 0.00 C ATOM 0 H ALA A 74 19.934 -16.934 -8.201 1.00 0.00 H new ATOM 0 HA ALA A 74 22.464 -15.775 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.491 -15.229 -10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 74 21.110 -16.899 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 74 19.871 -15.629 -10.203 1.00 0.00 H new ATOM 960 N VAL A 75 20.022 -13.548 -8.279 1.00 0.00 N ATOM 961 CA VAL A 75 19.720 -12.127 -8.051 1.00 0.00 C ATOM 962 C VAL A 75 20.282 -11.630 -6.711 1.00 0.00 C ATOM 963 O VAL A 75 20.691 -10.480 -6.605 1.00 0.00 O ATOM 964 CB VAL A 75 18.205 -11.837 -8.167 1.00 0.00 C ATOM 965 CG1 VAL A 75 17.605 -12.323 -9.501 1.00 0.00 C ATOM 966 CG2 VAL A 75 17.409 -12.382 -6.966 1.00 0.00 C ATOM 0 H VAL A 75 19.189 -14.128 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 75 20.222 -11.568 -8.841 1.00 0.00 H new ATOM 0 HB VAL A 75 18.112 -10.751 -8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 75 16.540 -12.093 -9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 75 18.105 -11.820 -10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.746 -13.400 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.351 -12.152 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 75 17.541 -13.462 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 75 17.771 -11.918 -6.049 1.00 0.00 H new ATOM 976 N ASP A 76 20.351 -12.511 -5.710 1.00 0.00 N ATOM 977 CA ASP A 76 20.963 -12.246 -4.418 1.00 0.00 C ATOM 978 C ASP A 76 22.495 -12.282 -4.521 1.00 0.00 C ATOM 979 O ASP A 76 23.137 -11.296 -4.175 1.00 0.00 O ATOM 980 CB ASP A 76 20.463 -13.266 -3.395 1.00 0.00 C ATOM 981 CG ASP A 76 21.130 -13.017 -2.043 1.00 0.00 C ATOM 982 OD1 ASP A 76 20.803 -11.989 -1.405 1.00 0.00 O ATOM 983 OD2 ASP A 76 22.021 -13.821 -1.698 1.00 0.00 O ATOM 0 H ASP A 76 19.970 -13.454 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 76 20.677 -11.247 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.380 -13.193 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 76 20.684 -14.277 -3.738 1.00 0.00 H new ATOM 988 N ALA A 77 23.090 -13.374 -5.014 1.00 0.00 N ATOM 989 CA ALA A 77 24.535 -13.560 -5.110 1.00 0.00 C ATOM 990 C ALA A 77 25.230 -12.409 -5.842 1.00 0.00 C ATOM 991 O ALA A 77 26.263 -11.922 -5.383 1.00 0.00 O ATOM 992 CB ALA A 77 24.792 -14.894 -5.812 1.00 0.00 C ATOM 0 H ALA A 77 22.562 -14.172 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 77 24.959 -13.568 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 77 25.866 -15.059 -5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.346 -15.702 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 77 24.348 -14.873 -6.807 1.00 0.00 H new ATOM 998 N VAL A 78 24.650 -11.937 -6.950 1.00 0.00 N ATOM 999 CA VAL A 78 25.147 -10.779 -7.704 1.00 0.00 C ATOM 1000 C VAL A 78 25.271 -9.542 -6.814 1.00 0.00 C ATOM 1001 O VAL A 78 26.331 -8.930 -6.787 1.00 0.00 O ATOM 1002 CB VAL A 78 24.263 -10.509 -8.933 1.00 0.00 C ATOM 1003 CG1 VAL A 78 24.555 -9.160 -9.606 1.00 0.00 C ATOM 1004 CG2 VAL A 78 24.465 -11.640 -9.947 1.00 0.00 C ATOM 0 H VAL A 78 23.811 -12.353 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 78 26.149 -11.015 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 78 23.230 -10.469 -8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.897 -9.032 -10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.382 -8.353 -8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.593 -9.136 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.842 -11.459 -10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.512 -11.677 -10.247 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.184 -12.590 -9.493 1.00 0.00 H new ATOM 1014 N LYS A 79 24.223 -9.224 -6.039 1.00 0.00 N ATOM 1015 CA LYS A 79 24.137 -8.094 -5.096 1.00 0.00 C ATOM 1016 C LYS A 79 24.900 -8.309 -3.775 1.00 0.00 C ATOM 1017 O LYS A 79 24.870 -7.439 -2.908 1.00 0.00 O ATOM 1018 CB LYS A 79 22.651 -7.745 -4.837 1.00 0.00 C ATOM 1019 CG LYS A 79 22.083 -6.804 -5.916 1.00 0.00 C ATOM 1020 CD LYS A 79 20.881 -7.414 -6.636 1.00 0.00 C ATOM 1021 CE LYS A 79 20.069 -6.320 -7.330 1.00 0.00 C ATOM 1022 NZ LYS A 79 20.034 -6.505 -8.792 1.00 0.00 N ATOM 0 H LYS A 79 23.366 -9.777 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 79 24.639 -7.252 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 79 22.063 -8.662 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.554 -7.275 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.789 -5.861 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 79 22.862 -6.574 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.220 -8.146 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 79 20.252 -7.946 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.051 -6.320 -6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 79 20.499 -5.346 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.474 -5.743 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 21.003 -6.479 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.600 -7.423 -9.015 1.00 0.00 H new ATOM 1036 N ASN A 80 25.602 -9.437 -3.620 1.00 0.00 N ATOM 1037 CA ASN A 80 26.406 -9.735 -2.437 1.00 0.00 C ATOM 1038 C ASN A 80 27.895 -9.883 -2.767 1.00 0.00 C ATOM 1039 O ASN A 80 28.727 -9.309 -2.076 1.00 0.00 O ATOM 1040 CB ASN A 80 25.860 -10.985 -1.745 1.00 0.00 C ATOM 1041 CG ASN A 80 24.595 -10.724 -0.944 1.00 0.00 C ATOM 1042 OD1 ASN A 80 24.616 -10.648 0.271 1.00 0.00 O ATOM 1043 ND2 ASN A 80 23.454 -10.621 -1.576 1.00 0.00 N ATOM 0 H ASN A 80 25.626 -10.176 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 80 26.329 -8.889 -1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.655 -11.748 -2.496 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.625 -11.388 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.591 -10.478 -1.051 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.427 -10.683 -2.594 1.00 0.00 H new ATOM 1050 N ALA A 81 28.239 -10.621 -3.822 1.00 0.00 N ATOM 1051 CA ALA A 81 29.617 -10.864 -4.235 1.00 0.00 C ATOM 1052 C ALA A 81 30.119 -9.863 -5.299 1.00 0.00 C ATOM 1053 O ALA A 81 31.030 -10.206 -6.047 1.00 0.00 O ATOM 1054 CB ALA A 81 29.707 -12.297 -4.760 1.00 0.00 C ATOM 0 H ALA A 81 27.552 -11.075 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 81 30.265 -10.722 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.729 -12.505 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.423 -12.992 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.033 -12.417 -5.608 1.00 0.00 H new ATOM 1060 N ASP A 82 29.517 -8.666 -5.399 1.00 0.00 N ATOM 1061 CA ASP A 82 29.852 -7.556 -6.310 1.00 0.00 C ATOM 1062 C ASP A 82 31.358 -7.190 -6.322 1.00 0.00 C ATOM 1063 O ASP A 82 31.786 -6.237 -5.678 1.00 0.00 O ATOM 1064 CB ASP A 82 28.978 -6.325 -5.959 1.00 0.00 C ATOM 1065 CG ASP A 82 27.688 -6.213 -6.772 1.00 0.00 C ATOM 1066 OD1 ASP A 82 27.805 -6.234 -8.021 1.00 0.00 O ATOM 1067 OD2 ASP A 82 26.612 -6.022 -6.163 1.00 0.00 O ATOM 0 H ASP A 82 28.725 -8.430 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 82 29.633 -7.892 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.723 -6.366 -4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 82 29.568 -5.421 -6.110 1.00 0.00 H new ATOM 1072 N GLY A 83 32.168 -7.949 -7.072 1.00 0.00 N ATOM 1073 CA GLY A 83 33.618 -7.778 -7.205 1.00 0.00 C ATOM 1074 C GLY A 83 34.380 -8.480 -6.075 1.00 0.00 C ATOM 1075 O GLY A 83 34.409 -8.017 -4.935 1.00 0.00 O ATOM 0 H GLY A 83 31.815 -8.730 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 83 33.944 -8.176 -8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 83 33.861 -6.715 -7.202 1.00 0.00 H new ATOM 1079 N TYR A 84 35.025 -9.610 -6.391 1.00 0.00 N ATOM 1080 CA TYR A 84 35.866 -10.356 -5.444 1.00 0.00 C ATOM 1081 C TYR A 84 37.141 -9.580 -5.071 1.00 0.00 C ATOM 1082 O TYR A 84 37.599 -8.704 -5.806 1.00 0.00 O ATOM 1083 CB TYR A 84 36.240 -11.717 -6.036 1.00 0.00 C ATOM 1084 CG TYR A 84 35.113 -12.455 -6.735 1.00 0.00 C ATOM 1085 CD1 TYR A 84 33.986 -12.880 -6.014 1.00 0.00 C ATOM 1086 CD2 TYR A 84 35.233 -12.809 -8.090 1.00 0.00 C ATOM 1087 CE1 TYR A 84 33.008 -13.679 -6.621 1.00 0.00 C ATOM 1088 CE2 TYR A 84 34.273 -13.626 -8.690 1.00 0.00 C ATOM 1089 CZ TYR A 84 33.145 -14.055 -7.964 1.00 0.00 C ATOM 1090 OH TYR A 84 32.213 -14.877 -8.526 1.00 0.00 O ATOM 0 H TYR A 84 34.978 -10.036 -7.317 1.00 0.00 H new ATOM 0 HA TYR A 84 35.287 -10.498 -4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 84 37.054 -11.574 -6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 84 36.624 -12.349 -5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 84 33.872 -12.588 -4.981 1.00 0.00 H new ATOM 0 HD2 TYR A 84 36.070 -12.448 -8.669 1.00 0.00 H new ATOM 0 HE1 TYR A 84 32.149 -14.005 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 84 34.396 -13.931 -9.719 1.00 0.00 H new ATOM 0 HH TYR A 84 31.577 -15.168 -7.840 1.00 0.00 H new ATOM 1100 N LYS A 85 37.776 -9.964 -3.953 1.00 0.00 N ATOM 1101 CA LYS A 85 38.894 -9.235 -3.323 1.00 0.00 C ATOM 1102 C LYS A 85 40.213 -10.027 -3.281 1.00 0.00 C ATOM 1103 O LYS A 85 40.857 -10.091 -2.239 1.00 0.00 O ATOM 1104 CB LYS A 85 38.448 -8.701 -1.947 1.00 0.00 C ATOM 1105 CG LYS A 85 37.944 -9.799 -0.993 1.00 0.00 C ATOM 1106 CD LYS A 85 36.414 -9.811 -0.814 1.00 0.00 C ATOM 1107 CE LYS A 85 35.839 -8.507 -0.249 1.00 0.00 C ATOM 1108 NZ LYS A 85 36.487 -8.110 1.015 1.00 0.00 N ATOM 0 H LYS A 85 37.521 -10.812 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 85 39.138 -8.383 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 85 39.285 -8.182 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 85 37.657 -7.966 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 85 38.264 -10.770 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 85 38.414 -9.665 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 85 35.948 -10.013 -1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 85 36.143 -10.632 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 85 35.961 -7.711 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 85 34.768 -8.626 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 36.020 -7.261 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 36.408 -8.885 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 37.491 -7.904 0.840 1.00 0.00 H new ATOM 1122 N LEU A 86 40.594 -10.601 -4.435 1.00 0.00 N ATOM 1123 CA LEU A 86 41.688 -11.552 -4.661 1.00 0.00 C ATOM 1124 C LEU A 86 42.937 -11.233 -3.825 1.00 0.00 C ATOM 1125 O LEU A 86 43.345 -12.080 -3.034 1.00 0.00 O ATOM 1126 CB LEU A 86 42.014 -11.668 -6.169 1.00 0.00 C ATOM 1127 CG LEU A 86 43.284 -12.485 -6.517 1.00 0.00 C ATOM 1128 CD1 LEU A 86 43.217 -13.923 -5.982 1.00 0.00 C ATOM 1129 CD2 LEU A 86 43.482 -12.520 -8.033 1.00 0.00 C ATOM 0 H LEU A 86 40.102 -10.392 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 86 41.341 -12.526 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 86 41.161 -12.123 -6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 86 42.127 -10.663 -6.577 1.00 0.00 H new ATOM 0 HG LEU A 86 44.127 -11.989 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 86 44.130 -14.454 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 86 43.116 -13.903 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 86 42.358 -14.434 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 86 44.377 -13.096 -8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 86 42.616 -12.986 -8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 86 43.595 -11.503 -8.409 1.00 0.00 H new ATOM 1141 N ASP A 87 43.516 -10.042 -4.064 1.00 0.00 N ATOM 1142 CA ASP A 87 44.740 -9.456 -3.499 1.00 0.00 C ATOM 1143 C ASP A 87 45.242 -8.276 -4.362 1.00 0.00 C ATOM 1144 O ASP A 87 45.538 -7.207 -3.839 1.00 0.00 O ATOM 1145 CB ASP A 87 45.845 -10.514 -3.366 1.00 0.00 C ATOM 1146 CG ASP A 87 47.195 -9.914 -2.982 1.00 0.00 C ATOM 1147 OD1 ASP A 87 47.340 -9.505 -1.808 1.00 0.00 O ATOM 1148 OD2 ASP A 87 48.070 -9.843 -3.876 1.00 0.00 O ATOM 0 H ASP A 87 43.089 -9.399 -4.731 1.00 0.00 H new ATOM 0 HA ASP A 87 44.494 -9.080 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 87 45.551 -11.247 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 87 45.946 -11.049 -4.311 1.00 0.00 H new ATOM 1153 N LYS A 88 45.357 -8.461 -5.684 1.00 0.00 N ATOM 1154 CA LYS A 88 45.862 -7.424 -6.610 1.00 0.00 C ATOM 1155 C LYS A 88 44.856 -6.277 -6.809 1.00 0.00 C ATOM 1156 O LYS A 88 43.677 -6.407 -6.491 1.00 0.00 O ATOM 1157 CB LYS A 88 46.254 -8.060 -7.964 1.00 0.00 C ATOM 1158 CG LYS A 88 47.721 -7.802 -8.358 1.00 0.00 C ATOM 1159 CD LYS A 88 47.889 -7.032 -9.674 1.00 0.00 C ATOM 1160 CE LYS A 88 47.556 -7.908 -10.890 1.00 0.00 C ATOM 1161 NZ LYS A 88 48.101 -7.314 -12.128 1.00 0.00 N ATOM 0 H LYS A 88 45.104 -9.333 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 88 46.750 -6.985 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 88 46.082 -9.135 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 88 45.601 -7.668 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 88 48.208 -7.244 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 88 48.238 -8.758 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 88 47.241 -6.156 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 88 48.914 -6.670 -9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 88 47.968 -8.907 -10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 88 46.475 -8.019 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 48.315 -8.069 -12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 47.400 -6.665 -12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 48.972 -6.790 -11.907 1.00 0.00 H new ATOM 1175 N GLN A 89 45.325 -5.162 -7.391 1.00 0.00 N ATOM 1176 CA GLN A 89 44.552 -3.927 -7.613 1.00 0.00 C ATOM 1177 C GLN A 89 43.347 -4.173 -8.532 1.00 0.00 C ATOM 1178 O GLN A 89 42.251 -3.686 -8.274 1.00 0.00 O ATOM 1179 CB GLN A 89 45.413 -2.788 -8.208 1.00 0.00 C ATOM 1180 CG GLN A 89 46.771 -2.562 -7.514 1.00 0.00 C ATOM 1181 CD GLN A 89 47.853 -3.465 -8.094 1.00 0.00 C ATOM 1182 OE1 GLN A 89 48.185 -3.416 -9.267 1.00 0.00 O ATOM 1183 NE2 GLN A 89 48.402 -4.390 -7.332 1.00 0.00 N ATOM 0 H GLN A 89 46.284 -5.092 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 89 44.202 -3.617 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 89 45.592 -3.002 -9.262 1.00 0.00 H new ATOM 0 HB3 GLN A 89 44.842 -1.861 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 89 47.068 -1.519 -7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 89 46.671 -2.753 -6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 89 48.146 -4.457 -6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 89 49.083 -5.038 -7.727 1.00 0.00 H new ATOM 1192 N HIS A 90 43.547 -4.950 -9.612 1.00 0.00 N ATOM 1193 CA HIS A 90 42.566 -5.287 -10.657 1.00 0.00 C ATOM 1194 C HIS A 90 41.391 -6.078 -10.068 1.00 0.00 C ATOM 1195 O HIS A 90 41.525 -7.271 -9.808 1.00 0.00 O ATOM 1196 CB HIS A 90 43.253 -6.088 -11.782 1.00 0.00 C ATOM 1197 CG HIS A 90 44.320 -5.307 -12.514 1.00 0.00 C ATOM 1198 ND1 HIS A 90 45.598 -5.058 -12.060 1.00 0.00 N ATOM 1199 CD2 HIS A 90 44.173 -4.709 -13.734 1.00 0.00 C ATOM 1200 CE1 HIS A 90 46.224 -4.315 -12.994 1.00 0.00 C ATOM 1201 NE2 HIS A 90 45.381 -4.104 -14.024 1.00 0.00 N ATOM 0 H HIS A 90 44.453 -5.385 -9.788 1.00 0.00 H new ATOM 0 HA HIS A 90 42.169 -4.362 -11.075 1.00 0.00 H new ATOM 0 HB2 HIS A 90 43.699 -6.987 -11.357 1.00 0.00 H new ATOM 0 HB3 HIS A 90 42.498 -6.415 -12.497 1.00 0.00 H new ATOM 0 HD2 HIS A 90 43.286 -4.709 -14.351 1.00 0.00 H new ATOM 0 HE1 HIS A 90 47.238 -3.948 -12.928 1.00 0.00 H new ATOM 0 HE2 HIS A 90 45.598 -3.585 -14.875 1.00 0.00 H new ATOM 1210 N THR A 91 40.254 -5.411 -9.851 1.00 0.00 N ATOM 1211 CA THR A 91 39.041 -6.018 -9.284 1.00 0.00 C ATOM 1212 C THR A 91 38.101 -6.575 -10.368 1.00 0.00 C ATOM 1213 O THR A 91 38.066 -6.127 -11.520 1.00 0.00 O ATOM 1214 CB THR A 91 38.270 -5.023 -8.386 1.00 0.00 C ATOM 1215 OG1 THR A 91 39.114 -4.043 -7.817 1.00 0.00 O ATOM 1216 CG2 THR A 91 37.574 -5.730 -7.219 1.00 0.00 C ATOM 0 H THR A 91 40.146 -4.420 -10.066 1.00 0.00 H new ATOM 0 HA THR A 91 39.383 -6.853 -8.672 1.00 0.00 H new ATOM 0 HB THR A 91 37.542 -4.556 -9.049 1.00 0.00 H new ATOM 0 HG1 THR A 91 38.582 -3.437 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 91 37.044 -4.996 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 91 36.864 -6.460 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 91 38.318 -6.238 -6.605 1.00 0.00 H new ATOM 1224 N PHE A 92 37.309 -7.561 -9.955 1.00 0.00 N ATOM 1225 CA PHE A 92 36.335 -8.293 -10.762 1.00 0.00 C ATOM 1226 C PHE A 92 34.976 -7.575 -10.797 1.00 0.00 C ATOM 1227 O PHE A 92 34.730 -6.650 -10.020 1.00 0.00 O ATOM 1228 CB PHE A 92 36.161 -9.712 -10.201 1.00 0.00 C ATOM 1229 CG PHE A 92 37.452 -10.445 -9.910 1.00 0.00 C ATOM 1230 CD1 PHE A 92 38.153 -10.183 -8.723 1.00 0.00 C ATOM 1231 CD2 PHE A 92 37.972 -11.375 -10.822 1.00 0.00 C ATOM 1232 CE1 PHE A 92 39.361 -10.832 -8.446 1.00 0.00 C ATOM 1233 CE2 PHE A 92 39.162 -12.065 -10.524 1.00 0.00 C ATOM 1234 CZ PHE A 92 39.861 -11.789 -9.340 1.00 0.00 C ATOM 0 H PHE A 92 37.331 -7.891 -8.990 1.00 0.00 H new ATOM 0 HA PHE A 92 36.713 -8.343 -11.783 1.00 0.00 H new ATOM 0 HB2 PHE A 92 35.578 -9.655 -9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.579 -10.299 -10.912 1.00 0.00 H new ATOM 0 HD1 PHE A 92 37.755 -9.472 -8.015 1.00 0.00 H new ATOM 0 HD2 PHE A 92 37.459 -11.562 -11.754 1.00 0.00 H new ATOM 0 HE1 PHE A 92 39.907 -10.596 -7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 92 39.538 -12.810 -11.210 1.00 0.00 H new ATOM 0 HZ PHE A 92 40.780 -12.311 -9.118 1.00 0.00 H new ATOM 1244 N ARG A 93 34.069 -8.021 -11.680 1.00 0.00 N ATOM 1245 CA ARG A 93 32.729 -7.419 -11.858 1.00 0.00 C ATOM 1246 C ARG A 93 31.620 -8.470 -11.965 1.00 0.00 C ATOM 1247 O ARG A 93 31.279 -8.898 -13.069 1.00 0.00 O ATOM 1248 CB ARG A 93 32.745 -6.452 -13.061 1.00 0.00 C ATOM 1249 CG ARG A 93 33.672 -5.236 -12.867 1.00 0.00 C ATOM 1250 CD ARG A 93 33.116 -4.211 -11.859 1.00 0.00 C ATOM 1251 NE ARG A 93 32.113 -3.326 -12.483 1.00 0.00 N ATOM 1252 CZ ARG A 93 32.375 -2.286 -13.269 1.00 0.00 C ATOM 1253 NH1 ARG A 93 33.607 -1.900 -13.524 1.00 0.00 N ATOM 1254 NH2 ARG A 93 31.396 -1.608 -13.828 1.00 0.00 N ATOM 0 H ARG A 93 34.241 -8.815 -12.297 1.00 0.00 H new ATOM 0 HA ARG A 93 32.493 -6.845 -10.962 1.00 0.00 H new ATOM 0 HB2 ARG A 93 33.059 -6.998 -13.951 1.00 0.00 H new ATOM 0 HB3 ARG A 93 31.730 -6.098 -13.245 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.648 -5.581 -12.526 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.825 -4.746 -13.828 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.665 -4.736 -11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 93 33.934 -3.611 -11.460 1.00 0.00 H new ATOM 0 HE ARG A 93 31.132 -3.530 -12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 93 34.394 -2.403 -13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 93 33.775 -1.098 -14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 93 30.427 -1.879 -13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 93 31.606 -0.811 -14.430 1.00 0.00 H new ATOM 1268 N VAL A 94 31.073 -8.874 -10.809 1.00 0.00 N ATOM 1269 CA VAL A 94 29.978 -9.856 -10.711 1.00 0.00 C ATOM 1270 C VAL A 94 28.639 -9.225 -11.106 1.00 0.00 C ATOM 1271 O VAL A 94 28.178 -8.312 -10.437 1.00 0.00 O ATOM 1272 CB VAL A 94 29.872 -10.515 -9.320 1.00 0.00 C ATOM 1273 CG1 VAL A 94 28.826 -11.637 -9.373 1.00 0.00 C ATOM 1274 CG2 VAL A 94 31.234 -11.100 -8.933 1.00 0.00 C ATOM 0 H VAL A 94 31.382 -8.524 -9.902 1.00 0.00 H new ATOM 0 HA VAL A 94 30.222 -10.651 -11.416 1.00 0.00 H new ATOM 0 HB VAL A 94 29.573 -9.773 -8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 94 28.746 -12.107 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 94 27.859 -11.220 -9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 94 29.129 -12.382 -10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 94 31.164 -11.567 -7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 94 31.532 -11.847 -9.669 1.00 0.00 H new ATOM 0 HG23 VAL A 94 31.977 -10.303 -8.904 1.00 0.00 H new ATOM 1284 N ASN A 95 28.015 -9.704 -12.186 1.00 0.00 N ATOM 1285 CA ASN A 95 26.730 -9.216 -12.706 1.00 0.00 C ATOM 1286 C ASN A 95 25.839 -10.384 -13.197 1.00 0.00 C ATOM 1287 O ASN A 95 26.244 -11.547 -13.168 1.00 0.00 O ATOM 1288 CB ASN A 95 26.991 -8.155 -13.800 1.00 0.00 C ATOM 1289 CG ASN A 95 27.626 -6.898 -13.221 1.00 0.00 C ATOM 1290 OD1 ASN A 95 26.949 -5.970 -12.806 1.00 0.00 O ATOM 1291 ND2 ASN A 95 28.944 -6.820 -13.176 1.00 0.00 N ATOM 0 H ASN A 95 28.401 -10.467 -12.742 1.00 0.00 H new ATOM 0 HA ASN A 95 26.170 -8.737 -11.903 1.00 0.00 H new ATOM 0 HB2 ASN A 95 27.644 -8.574 -14.566 1.00 0.00 H new ATOM 0 HB3 ASN A 95 26.052 -7.897 -14.289 1.00 0.00 H new ATOM 0 HD21 ASN A 95 29.393 -5.987 -12.796 1.00 0.00 H new ATOM 0 HD22 ASN A 95 29.513 -7.593 -13.522 1.00 0.00 H new TER 1298 ASN A 95 ATOM 1299 N ASP B 45 38.568 -20.577 0.240 1.00 0.00 N ATOM 1300 CA ASP B 45 38.543 -22.045 0.185 1.00 0.00 C ATOM 1301 C ASP B 45 37.968 -22.715 1.435 1.00 0.00 C ATOM 1302 O ASP B 45 37.442 -23.814 1.321 1.00 0.00 O ATOM 1303 CB ASP B 45 39.943 -22.587 -0.113 1.00 0.00 C ATOM 1304 CG ASP B 45 41.033 -21.915 0.724 1.00 0.00 C ATOM 1305 OD1 ASP B 45 41.269 -22.369 1.868 1.00 0.00 O ATOM 1306 OD2 ASP B 45 41.634 -20.955 0.181 1.00 0.00 O ATOM 0 HA ASP B 45 37.860 -22.300 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP B 45 39.959 -23.661 0.074 1.00 0.00 H new ATOM 0 HB3 ASP B 45 40.165 -22.444 -1.171 1.00 0.00 H new ATOM 1311 N GLU B 46 38.095 -22.072 2.598 1.00 0.00 N ATOM 1312 CA GLU B 46 37.690 -22.511 3.953 1.00 0.00 C ATOM 1313 C GLU B 46 38.272 -21.588 5.034 1.00 0.00 C ATOM 1314 O GLU B 46 37.575 -21.249 5.985 1.00 0.00 O ATOM 1315 CB GLU B 46 38.052 -23.987 4.258 1.00 0.00 C ATOM 1316 CG GLU B 46 39.503 -24.413 3.917 1.00 0.00 C ATOM 1317 CD GLU B 46 39.817 -25.889 4.228 1.00 0.00 C ATOM 1318 OE1 GLU B 46 38.862 -26.689 4.369 1.00 0.00 O ATOM 1319 OE2 GLU B 46 41.027 -26.205 4.303 1.00 0.00 O ATOM 0 H GLU B 46 38.522 -21.146 2.628 1.00 0.00 H new ATOM 0 HA GLU B 46 36.602 -22.444 3.971 1.00 0.00 H new ATOM 0 HB2 GLU B 46 37.880 -24.171 5.318 1.00 0.00 H new ATOM 0 HB3 GLU B 46 37.366 -24.630 3.707 1.00 0.00 H new ATOM 0 HG2 GLU B 46 39.684 -24.230 2.858 1.00 0.00 H new ATOM 0 HG3 GLU B 46 40.196 -23.781 4.473 1.00 0.00 H new ATOM 1326 N ASP B 47 39.545 -21.212 4.890 1.00 0.00 N ATOM 1327 CA ASP B 47 40.290 -20.383 5.834 1.00 0.00 C ATOM 1328 C ASP B 47 40.926 -19.173 5.117 1.00 0.00 C ATOM 1329 O ASP B 47 40.609 -18.914 3.959 1.00 0.00 O ATOM 1330 CB ASP B 47 41.299 -21.271 6.590 1.00 0.00 C ATOM 1331 CG ASP B 47 41.409 -20.832 8.049 1.00 0.00 C ATOM 1332 OD1 ASP B 47 41.952 -19.723 8.270 1.00 0.00 O ATOM 1333 OD2 ASP B 47 40.908 -21.563 8.936 1.00 0.00 O ATOM 0 H ASP B 47 40.104 -21.488 4.082 1.00 0.00 H new ATOM 0 HA ASP B 47 39.622 -19.951 6.579 1.00 0.00 H new ATOM 0 HB2 ASP B 47 40.984 -22.313 6.540 1.00 0.00 H new ATOM 0 HB3 ASP B 47 42.276 -21.210 6.111 1.00 0.00 H new ATOM 1338 N VAL B 48 41.813 -18.435 5.801 1.00 0.00 N ATOM 1339 CA VAL B 48 42.529 -17.250 5.283 1.00 0.00 C ATOM 1340 C VAL B 48 41.562 -16.066 5.089 1.00 0.00 C ATOM 1341 O VAL B 48 41.618 -15.323 4.109 1.00 0.00 O ATOM 1342 CB VAL B 48 43.395 -17.582 4.034 1.00 0.00 C ATOM 1343 CG1 VAL B 48 44.474 -16.506 3.807 1.00 0.00 C ATOM 1344 CG2 VAL B 48 44.122 -18.939 4.139 1.00 0.00 C ATOM 0 H VAL B 48 42.064 -18.651 6.766 1.00 0.00 H new ATOM 0 HA VAL B 48 43.250 -16.929 6.035 1.00 0.00 H new ATOM 0 HB VAL B 48 42.690 -17.619 3.204 1.00 0.00 H new ATOM 0 HG11 VAL B 48 45.065 -16.763 2.928 1.00 0.00 H new ATOM 0 HG12 VAL B 48 43.996 -15.538 3.653 1.00 0.00 H new ATOM 0 HG13 VAL B 48 45.125 -16.454 4.679 1.00 0.00 H new ATOM 0 HG21 VAL B 48 44.708 -19.109 3.236 1.00 0.00 H new ATOM 0 HG22 VAL B 48 44.784 -18.931 5.005 1.00 0.00 H new ATOM 0 HG23 VAL B 48 43.388 -19.737 4.251 1.00 0.00 H new ATOM 1354 N LYS B 49 40.688 -15.850 6.084 1.00 0.00 N ATOM 1355 CA LYS B 49 39.639 -14.814 6.078 1.00 0.00 C ATOM 1356 C LYS B 49 38.750 -14.991 4.832 1.00 0.00 C ATOM 1357 O LYS B 49 38.535 -16.107 4.369 1.00 0.00 O ATOM 1358 CB LYS B 49 40.279 -13.404 6.182 1.00 0.00 C ATOM 1359 CG LYS B 49 41.279 -13.221 7.341 1.00 0.00 C ATOM 1360 CD LYS B 49 41.936 -11.834 7.289 1.00 0.00 C ATOM 1361 CE LYS B 49 42.914 -11.722 6.107 1.00 0.00 C ATOM 1362 NZ LYS B 49 43.473 -10.361 5.995 1.00 0.00 N ATOM 0 H LYS B 49 40.690 -16.406 6.939 1.00 0.00 H new ATOM 0 HA LYS B 49 38.993 -14.921 6.949 1.00 0.00 H new ATOM 0 HB2 LYS B 49 40.790 -13.184 5.244 1.00 0.00 H new ATOM 0 HB3 LYS B 49 39.482 -12.668 6.291 1.00 0.00 H new ATOM 0 HG2 LYS B 49 40.764 -13.348 8.293 1.00 0.00 H new ATOM 0 HG3 LYS B 49 42.047 -13.993 7.289 1.00 0.00 H new ATOM 0 HD2 LYS B 49 41.166 -11.068 7.200 1.00 0.00 H new ATOM 0 HD3 LYS B 49 42.467 -11.646 8.222 1.00 0.00 H new ATOM 0 HE2 LYS B 49 43.724 -12.440 6.234 1.00 0.00 H new ATOM 0 HE3 LYS B 49 42.400 -11.983 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 44.128 -10.320 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 42.701 -9.680 5.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 43.984 -10.123 6.869 1.00 0.00 H new ATOM 1376 N ASP B 50 38.239 -13.882 4.294 1.00 0.00 N ATOM 1377 CA ASP B 50 37.366 -13.830 3.133 1.00 0.00 C ATOM 1378 C ASP B 50 38.110 -13.171 1.957 1.00 0.00 C ATOM 1379 O ASP B 50 37.669 -12.152 1.436 1.00 0.00 O ATOM 1380 CB ASP B 50 36.081 -13.079 3.521 1.00 0.00 C ATOM 1381 CG ASP B 50 35.307 -13.667 4.707 1.00 0.00 C ATOM 1382 OD1 ASP B 50 35.406 -14.891 4.943 1.00 0.00 O ATOM 1383 OD2 ASP B 50 34.623 -12.866 5.383 1.00 0.00 O ATOM 0 H ASP B 50 38.435 -12.957 4.677 1.00 0.00 H new ATOM 0 HA ASP B 50 37.084 -14.831 2.806 1.00 0.00 H new ATOM 0 HB2 ASP B 50 36.341 -12.046 3.755 1.00 0.00 H new ATOM 0 HB3 ASP B 50 35.420 -13.053 2.655 1.00 0.00 H new ATOM 1388 N ASN B 51 39.239 -13.743 1.510 1.00 0.00 N ATOM 1389 CA ASN B 51 40.009 -13.219 0.359 1.00 0.00 C ATOM 1390 C ASN B 51 39.250 -13.236 -0.993 1.00 0.00 C ATOM 1391 O ASN B 51 39.780 -12.824 -2.023 1.00 0.00 O ATOM 1392 CB ASN B 51 41.387 -13.903 0.280 1.00 0.00 C ATOM 1393 CG ASN B 51 41.389 -15.133 -0.616 1.00 0.00 C ATOM 1394 OD1 ASN B 51 40.891 -16.192 -0.278 1.00 0.00 O ATOM 1395 ND2 ASN B 51 41.895 -15.014 -1.827 1.00 0.00 N ATOM 0 H ASN B 51 39.647 -14.578 1.931 1.00 0.00 H new ATOM 0 HA ASN B 51 40.160 -12.157 0.551 1.00 0.00 H new ATOM 0 HB2 ASN B 51 42.121 -13.188 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN B 51 41.702 -14.190 1.283 1.00 0.00 H new ATOM 0 HD21 ASN B 51 41.867 -15.804 -2.471 1.00 0.00 H new ATOM 0 HD22 ASN B 51 42.314 -14.132 -2.120 1.00 0.00 H new ATOM 1402 N TRP B 52 38.009 -13.721 -0.987 1.00 0.00 N ATOM 1403 CA TRP B 52 37.102 -13.772 -2.125 1.00 0.00 C ATOM 1404 C TRP B 52 35.651 -13.356 -1.778 1.00 0.00 C ATOM 1405 O TRP B 52 34.892 -13.044 -2.692 1.00 0.00 O ATOM 1406 CB TRP B 52 37.204 -15.190 -2.696 1.00 0.00 C ATOM 1407 CG TRP B 52 36.739 -15.321 -4.103 1.00 0.00 C ATOM 1408 CD1 TRP B 52 35.480 -15.640 -4.453 1.00 0.00 C ATOM 1409 CD2 TRP B 52 37.465 -15.098 -5.345 1.00 0.00 C ATOM 1410 NE1 TRP B 52 35.388 -15.688 -5.829 1.00 0.00 N ATOM 1411 CE2 TRP B 52 36.599 -15.389 -6.442 1.00 0.00 C ATOM 1412 CE3 TRP B 52 38.772 -14.668 -5.657 1.00 0.00 C ATOM 1413 CZ2 TRP B 52 37.032 -15.304 -7.778 1.00 0.00 C ATOM 1414 CZ3 TRP B 52 39.204 -14.552 -6.994 1.00 0.00 C ATOM 1415 CH2 TRP B 52 38.342 -14.874 -8.053 1.00 0.00 C ATOM 0 H TRP B 52 37.590 -14.109 -0.141 1.00 0.00 H new ATOM 0 HA TRP B 52 37.395 -13.036 -2.874 1.00 0.00 H new ATOM 0 HB2 TRP B 52 38.242 -15.518 -2.637 1.00 0.00 H new ATOM 0 HB3 TRP B 52 36.620 -15.864 -2.069 1.00 0.00 H new ATOM 0 HD1 TRP B 52 34.669 -15.829 -3.765 1.00 0.00 H new ATOM 0 HE1 TRP B 52 34.533 -15.916 -6.336 1.00 0.00 H new ATOM 0 HE3 TRP B 52 39.454 -14.423 -4.857 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 36.364 -15.567 -8.585 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 40.207 -14.212 -7.205 1.00 0.00 H new ATOM 0 HH2 TRP B 52 38.683 -14.792 -9.074 1.00 0.00 H new ATOM 1426 N ASP B 53 35.259 -13.282 -0.493 1.00 0.00 N ATOM 1427 CA ASP B 53 33.862 -13.122 -0.063 1.00 0.00 C ATOM 1428 C ASP B 53 33.600 -11.680 0.389 1.00 0.00 C ATOM 1429 O ASP B 53 34.131 -11.229 1.397 1.00 0.00 O ATOM 1430 CB ASP B 53 33.443 -14.147 1.024 1.00 0.00 C ATOM 1431 CG ASP B 53 34.202 -15.481 1.059 1.00 0.00 C ATOM 1432 OD1 ASP B 53 34.505 -16.052 -0.016 1.00 0.00 O ATOM 1433 OD2 ASP B 53 34.457 -15.941 2.191 1.00 0.00 O ATOM 0 H ASP B 53 35.916 -13.333 0.286 1.00 0.00 H new ATOM 0 HA ASP B 53 33.234 -13.332 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP B 53 33.552 -13.670 1.998 1.00 0.00 H new ATOM 0 HB3 ASP B 53 32.383 -14.365 0.893 1.00 0.00 H new ATOM 1438 N ASP B 54 32.800 -10.947 -0.383 1.00 0.00 N ATOM 1439 CA ASP B 54 32.361 -9.607 -0.041 1.00 0.00 C ATOM 1440 C ASP B 54 31.026 -9.632 0.717 1.00 0.00 C ATOM 1441 O ASP B 54 30.216 -10.546 0.571 1.00 0.00 O ATOM 1442 CB ASP B 54 32.310 -8.774 -1.329 1.00 0.00 C ATOM 1443 CG ASP B 54 32.248 -7.288 -0.985 1.00 0.00 C ATOM 1444 OD1 ASP B 54 33.279 -6.795 -0.464 1.00 0.00 O ATOM 1445 OD2 ASP B 54 31.173 -6.679 -1.182 1.00 0.00 O ATOM 0 H ASP B 54 32.436 -11.278 -1.277 1.00 0.00 H new ATOM 0 HA ASP B 54 33.068 -9.139 0.644 1.00 0.00 H new ATOM 0 HB2 ASP B 54 33.190 -8.978 -1.940 1.00 0.00 H new ATOM 0 HB3 ASP B 54 31.439 -9.056 -1.920 1.00 0.00 H new ATOM 1450 N ASP B 55 30.830 -8.602 1.540 1.00 0.00 N ATOM 1451 CA ASP B 55 29.613 -8.262 2.263 1.00 0.00 C ATOM 1452 C ASP B 55 29.705 -6.801 2.743 1.00 0.00 C ATOM 1453 O ASP B 55 30.804 -6.274 2.893 1.00 0.00 O ATOM 1454 CB ASP B 55 29.437 -9.207 3.461 1.00 0.00 C ATOM 1455 CG ASP B 55 30.499 -9.040 4.550 1.00 0.00 C ATOM 1456 OD1 ASP B 55 31.690 -9.326 4.292 1.00 0.00 O ATOM 1457 OD2 ASP B 55 30.089 -8.641 5.665 1.00 0.00 O ATOM 0 H ASP B 55 31.578 -7.935 1.730 1.00 0.00 H new ATOM 0 HA ASP B 55 28.750 -8.372 1.606 1.00 0.00 H new ATOM 0 HB2 ASP B 55 28.453 -9.041 3.900 1.00 0.00 H new ATOM 0 HB3 ASP B 55 29.457 -10.237 3.104 1.00 0.00 H new TER 1462 ASP B 55