USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 670 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 72 GLN : amide:sc= -4.44! C(o=-3.6!,f=-3.1!) USER MOD Set 1.2: A 74 SER OG : rot 118:sc= 0.828 USER MOD Set 2.1: A 63 GLN : amide:sc= -1.56 K(o=-9.2,f=-14) USER MOD Set 2.2: A 65 HIS :FLIP no HD1:sc= -7.67! C(o=-13!,f=-9.2!) USER MOD Set 3.1: A 64 THR OG1 : rot 130:sc= -1 USER MOD Set 3.2: A 76 GLN : amide:sc= -3.32 K(o=-4.3,f=-5.7!) USER MOD Set 4.1: A 13 HIS : no HE2:sc= -3.88! C(o=-4.9!,f=-8.9!) USER MOD Set 4.2: A 32 TYR OH : rot 23:sc= 0.118 USER MOD Set 4.3: A 34 CYS SG : rot 61:sc= 0.0302 USER MOD Set 4.4: A 66 GLN :FLIP amide:sc= -1.2 F(o=-5.8,f=-4.9) USER MOD Set 5.1: A 27 CYS SG : rot -33:sc=0.000378 USER MOD Set 5.2: A 30 CYS SG : rot 180:sc= -0.155 USER MOD Single : A 1 LEU N :NH3+ 139:sc= -0.147 (180deg=-1.13) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.621 F(o=-1.2,f=-0.62) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.11 F(o=-1.8!,f=-1.1) USER MOD Single : A 16 SER OG : rot -177:sc= -3.88! USER MOD Single : A 17 GLN : amide:sc= -0.822 X(o=-0.82,f=-0.61) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.772 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -7.76! C(o=-7.8!,f=-7.7!) USER MOD Single : A 25 CYS SG : rot -34:sc= -1.86! USER MOD Single : A 26 HIS : no HE2:sc= -17.8! C(o=-18!,f=-19!) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.293) USER MOD Single : A 29 LYS NZ :NH3+ -123:sc= -0.0221 (180deg=-0.279) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -5.5! C(o=-5.5!,f=-12!) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.85 USER MOD Single : A 40 THR OG1 : rot 169:sc= 0.103 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= -0.244 (180deg=-0.42) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 168:sc= 0.0105 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.852 K(o=-0.85,f=-3.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.48! C(o=-2.5!,f=-6.7!) USER MOD Single : A 71 LYS NZ :NH3+ 138:sc= 0.44 (180deg=0.000442) USER MOD Single : A 75 SER OG : rot 74:sc= 1.22 USER MOD Single : A 82 THR OG1 : rot 87:sc= -0.54 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.391 -9.477 1.396 1.00 0.00 N ATOM 2 CA LEU A 1 14.491 -8.331 1.742 1.00 0.00 C ATOM 3 C LEU A 1 15.180 -6.993 1.457 1.00 0.00 C ATOM 4 O LEU A 1 16.371 -6.933 1.211 1.00 0.00 O ATOM 5 CB LEU A 1 14.179 -8.481 3.240 1.00 0.00 C ATOM 6 CG LEU A 1 15.459 -8.319 4.072 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.534 -6.927 4.708 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.516 -9.407 5.149 1.00 0.00 C ATOM 0 H1 LEU A 1 15.311 -10.214 2.126 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.113 -9.871 0.475 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.375 -9.143 1.347 1.00 0.00 H new ATOM 0 HA LEU A 1 13.580 -8.343 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.445 -7.734 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.736 -9.459 3.430 1.00 0.00 H new ATOM 0 HG LEU A 1 16.318 -8.426 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.451 -6.842 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.530 -6.169 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 1 14.674 -6.779 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.426 -9.289 5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 1 14.648 -9.319 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.515 -10.389 4.675 1.00 0.00 H new ATOM 22 N ASP A 2 14.422 -5.922 1.488 1.00 0.00 N ATOM 23 CA ASP A 2 14.984 -4.561 1.218 1.00 0.00 C ATOM 24 C ASP A 2 15.895 -4.565 -0.026 1.00 0.00 C ATOM 25 O ASP A 2 17.046 -4.178 0.050 1.00 0.00 O ATOM 26 CB ASP A 2 15.774 -4.201 2.479 1.00 0.00 C ATOM 27 CG ASP A 2 15.682 -2.693 2.726 1.00 0.00 C ATOM 28 OD1 ASP A 2 14.630 -2.244 3.153 1.00 0.00 O ATOM 29 OD2 ASP A 2 16.666 -2.013 2.486 1.00 0.00 O ATOM 0 H ASP A 2 13.423 -5.935 1.692 1.00 0.00 H new ATOM 0 HA ASP A 2 14.199 -3.835 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.379 -4.745 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.816 -4.499 2.365 1.00 0.00 H new ATOM 34 N PRO A 3 15.339 -4.987 -1.144 1.00 0.00 N ATOM 35 CA PRO A 3 16.099 -5.018 -2.407 1.00 0.00 C ATOM 36 C PRO A 3 15.999 -3.633 -3.071 1.00 0.00 C ATOM 37 O PRO A 3 16.803 -2.759 -2.808 1.00 0.00 O ATOM 38 CB PRO A 3 15.395 -6.105 -3.218 1.00 0.00 C ATOM 39 CG PRO A 3 13.996 -6.170 -2.669 1.00 0.00 C ATOM 40 CD PRO A 3 13.966 -5.460 -1.331 1.00 0.00 C ATOM 0 HA PRO A 3 17.162 -5.232 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.389 -5.861 -4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.903 -7.064 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.296 -5.702 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.683 -7.208 -2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.257 -4.632 -1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.664 -6.134 -0.529 1.00 0.00 H new ATOM 48 N VAL A 4 14.986 -3.406 -3.879 1.00 0.00 N ATOM 49 CA VAL A 4 14.798 -2.057 -4.497 1.00 0.00 C ATOM 50 C VAL A 4 14.336 -1.118 -3.377 1.00 0.00 C ATOM 51 O VAL A 4 14.950 -0.111 -3.082 1.00 0.00 O ATOM 52 CB VAL A 4 13.693 -2.256 -5.545 1.00 0.00 C ATOM 53 CG1 VAL A 4 13.011 -0.960 -6.000 1.00 0.00 C ATOM 54 CG2 VAL A 4 14.276 -2.961 -6.774 1.00 0.00 C ATOM 0 H VAL A 4 14.283 -4.099 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 4 15.693 -1.638 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 4 12.926 -2.858 -5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.245 -1.192 -6.740 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.551 -0.470 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.752 -0.295 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.492 -3.103 -7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.074 -2.352 -7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.677 -3.931 -6.481 1.00 0.00 H new ATOM 64 N ASP A 5 13.277 -1.511 -2.724 1.00 0.00 N ATOM 65 CA ASP A 5 12.729 -0.759 -1.563 1.00 0.00 C ATOM 66 C ASP A 5 11.940 -1.783 -0.733 1.00 0.00 C ATOM 67 O ASP A 5 12.421 -2.221 0.294 1.00 0.00 O ATOM 68 CB ASP A 5 11.845 0.360 -2.133 1.00 0.00 C ATOM 69 CG ASP A 5 12.519 1.716 -1.911 1.00 0.00 C ATOM 70 OD1 ASP A 5 12.441 2.220 -0.803 1.00 0.00 O ATOM 71 OD2 ASP A 5 13.101 2.229 -2.854 1.00 0.00 O ATOM 0 H ASP A 5 12.752 -2.353 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 5 13.482 -0.296 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.677 0.197 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.868 0.346 -1.650 1.00 0.00 H new ATOM 76 N PRO A 6 10.797 -2.212 -1.243 1.00 0.00 N ATOM 77 CA PRO A 6 10.020 -3.262 -0.574 1.00 0.00 C ATOM 78 C PRO A 6 10.407 -4.598 -1.224 1.00 0.00 C ATOM 79 O PRO A 6 11.350 -4.654 -1.991 1.00 0.00 O ATOM 80 CB PRO A 6 8.579 -2.880 -0.886 1.00 0.00 C ATOM 81 CG PRO A 6 8.652 -2.070 -2.153 1.00 0.00 C ATOM 82 CD PRO A 6 10.106 -1.779 -2.462 1.00 0.00 C ATOM 0 HA PRO A 6 10.183 -3.357 0.500 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.957 -3.765 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.140 -2.301 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.193 -2.616 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.097 -1.139 -2.039 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.450 -2.329 -3.338 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.271 -0.721 -2.665 1.00 0.00 H new ATOM 90 N ASN A 7 9.708 -5.668 -0.960 1.00 0.00 N ATOM 91 CA ASN A 7 10.098 -6.960 -1.610 1.00 0.00 C ATOM 92 C ASN A 7 9.709 -6.940 -3.093 1.00 0.00 C ATOM 93 O ASN A 7 10.535 -7.154 -3.960 1.00 0.00 O ATOM 94 CB ASN A 7 9.338 -8.056 -0.858 1.00 0.00 C ATOM 95 CG ASN A 7 9.914 -8.205 0.553 1.00 0.00 C ATOM 96 OD1 ASN A 7 9.140 -8.006 1.582 1.00 0.00 O flip ATOM 97 ND2 ASN A 7 11.080 -8.507 0.719 1.00 0.00 N flip ATOM 0 H ASN A 7 8.901 -5.709 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 7 11.174 -7.130 -1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.278 -7.807 -0.805 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.416 -9.001 -1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.686 -8.663 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.452 -8.605 1.664 1.00 0.00 H new ATOM 104 N ILE A 8 8.464 -6.666 -3.389 1.00 0.00 N ATOM 105 CA ILE A 8 8.011 -6.608 -4.819 1.00 0.00 C ATOM 106 C ILE A 8 7.139 -5.363 -5.053 1.00 0.00 C ATOM 107 O ILE A 8 6.432 -5.273 -6.039 1.00 0.00 O ATOM 108 CB ILE A 8 7.192 -7.896 -5.078 1.00 0.00 C ATOM 109 CG1 ILE A 8 5.827 -7.828 -4.365 1.00 0.00 C ATOM 110 CG2 ILE A 8 7.971 -9.133 -4.607 1.00 0.00 C ATOM 111 CD1 ILE A 8 5.994 -7.948 -2.847 1.00 0.00 C ATOM 0 H ILE A 8 7.735 -6.478 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 8 8.862 -6.543 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 8 7.019 -7.977 -6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.333 -6.887 -4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.183 -8.629 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.380 -10.029 -4.797 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.914 -9.198 -5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.173 -9.051 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.016 -7.897 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.466 -8.901 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.619 -7.132 -2.484 1.00 0.00 H new ATOM 123 N GLU A 9 7.173 -4.413 -4.140 1.00 0.00 N ATOM 124 CA GLU A 9 6.338 -3.175 -4.279 1.00 0.00 C ATOM 125 C GLU A 9 4.858 -3.553 -4.424 1.00 0.00 C ATOM 126 O GLU A 9 4.235 -3.239 -5.417 1.00 0.00 O ATOM 127 CB GLU A 9 6.848 -2.460 -5.538 1.00 0.00 C ATOM 128 CG GLU A 9 8.088 -1.632 -5.194 1.00 0.00 C ATOM 129 CD GLU A 9 8.531 -0.832 -6.421 1.00 0.00 C ATOM 130 OE1 GLU A 9 8.038 0.271 -6.596 1.00 0.00 O ATOM 131 OE2 GLU A 9 9.359 -1.335 -7.164 1.00 0.00 O ATOM 0 H GLU A 9 7.749 -4.446 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 9 6.418 -2.530 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.089 -3.190 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.068 -1.814 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.868 -0.956 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.895 -2.287 -4.864 1.00 0.00 H new ATOM 138 N PRO A 10 4.346 -4.230 -3.418 1.00 0.00 N ATOM 139 CA PRO A 10 2.929 -4.664 -3.428 1.00 0.00 C ATOM 140 C PRO A 10 2.002 -3.568 -2.885 1.00 0.00 C ATOM 141 O PRO A 10 1.031 -3.851 -2.207 1.00 0.00 O ATOM 142 CB PRO A 10 2.918 -5.849 -2.485 1.00 0.00 C ATOM 143 CG PRO A 10 4.068 -5.614 -1.549 1.00 0.00 C ATOM 144 CD PRO A 10 5.039 -4.660 -2.200 1.00 0.00 C ATOM 0 HA PRO A 10 2.576 -4.894 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.975 -5.912 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.037 -6.786 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.709 -5.202 -0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.564 -6.556 -1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.266 -3.815 -1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.986 -5.148 -2.430 1.00 0.00 H new ATOM 152 N TRP A 11 2.273 -2.328 -3.179 1.00 0.00 N ATOM 153 CA TRP A 11 1.391 -1.242 -2.675 1.00 0.00 C ATOM 154 C TRP A 11 0.484 -0.778 -3.814 1.00 0.00 C ATOM 155 O TRP A 11 0.387 0.390 -4.120 1.00 0.00 O ATOM 156 CB TRP A 11 2.337 -0.124 -2.234 1.00 0.00 C ATOM 157 CG TRP A 11 3.175 -0.579 -1.086 1.00 0.00 C ATOM 158 CD1 TRP A 11 4.241 -1.403 -1.180 1.00 0.00 C ATOM 159 CD2 TRP A 11 3.036 -0.241 0.320 1.00 0.00 C ATOM 160 NE1 TRP A 11 4.764 -1.598 0.082 1.00 0.00 N ATOM 161 CE2 TRP A 11 4.055 -0.898 1.043 1.00 0.00 C ATOM 162 CE3 TRP A 11 2.132 0.563 1.032 1.00 0.00 C ATOM 163 CZ2 TRP A 11 4.169 -0.758 2.427 1.00 0.00 C ATOM 164 CZ3 TRP A 11 2.247 0.704 2.419 1.00 0.00 C ATOM 165 CH2 TRP A 11 3.264 0.046 3.114 1.00 0.00 C ATOM 0 H TRP A 11 3.064 -2.021 -3.745 1.00 0.00 H new ATOM 0 HA TRP A 11 0.751 -1.557 -1.851 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.977 0.170 -3.066 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.762 0.756 -1.947 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.621 -1.838 -2.093 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.573 -2.186 0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.342 1.077 0.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.955 -1.271 2.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.545 1.325 2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.348 0.161 4.185 1.00 0.00 H new ATOM 176 N ASN A 12 -0.178 -1.705 -4.449 1.00 0.00 N ATOM 177 CA ASN A 12 -1.076 -1.342 -5.578 1.00 0.00 C ATOM 178 C ASN A 12 -2.392 -2.097 -5.442 1.00 0.00 C ATOM 179 O ASN A 12 -2.442 -3.311 -5.520 1.00 0.00 O ATOM 180 CB ASN A 12 -0.341 -1.729 -6.877 1.00 0.00 C ATOM 181 CG ASN A 12 0.735 -2.797 -6.622 1.00 0.00 C ATOM 182 OD1 ASN A 12 1.819 -2.480 -5.964 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 0.585 -3.932 -7.029 1.00 0.00 N flip ATOM 0 H ASN A 12 -0.135 -2.701 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.309 -0.277 -5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.061 -2.103 -7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.121 -0.843 -7.312 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.260 -4.182 -7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.304 -4.635 -6.857 1.00 0.00 H new ATOM 190 N HIS A 13 -3.453 -1.377 -5.216 1.00 0.00 N ATOM 191 CA HIS A 13 -4.784 -2.021 -5.042 1.00 0.00 C ATOM 192 C HIS A 13 -5.618 -1.908 -6.325 1.00 0.00 C ATOM 193 O HIS A 13 -5.474 -0.964 -7.079 1.00 0.00 O ATOM 194 CB HIS A 13 -5.438 -1.229 -3.905 1.00 0.00 C ATOM 195 CG HIS A 13 -4.870 -1.672 -2.580 1.00 0.00 C ATOM 196 ND1 HIS A 13 -5.358 -1.200 -1.371 1.00 0.00 N ATOM 197 CD2 HIS A 13 -3.867 -2.555 -2.257 1.00 0.00 C ATOM 198 CE1 HIS A 13 -4.658 -1.796 -0.389 1.00 0.00 C ATOM 199 NE2 HIS A 13 -3.737 -2.632 -0.875 1.00 0.00 N ATOM 0 H HIS A 13 -3.456 -0.360 -5.144 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.705 -3.086 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.265 -0.162 -4.047 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.517 -1.381 -3.917 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -6.111 -0.523 -1.248 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.270 -3.106 -2.969 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.821 -1.620 0.664 1.00 0.00 H new ATOM 207 N PRO A 14 -6.483 -2.876 -6.519 1.00 0.00 N ATOM 208 CA PRO A 14 -7.372 -2.883 -7.706 1.00 0.00 C ATOM 209 C PRO A 14 -8.483 -1.843 -7.537 1.00 0.00 C ATOM 210 O PRO A 14 -9.222 -1.567 -8.457 1.00 0.00 O ATOM 211 CB PRO A 14 -7.971 -4.283 -7.705 1.00 0.00 C ATOM 212 CG PRO A 14 -7.904 -4.723 -6.279 1.00 0.00 C ATOM 213 CD PRO A 14 -6.711 -4.042 -5.655 1.00 0.00 C ATOM 0 HA PRO A 14 -6.845 -2.644 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.998 -4.274 -8.069 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.409 -4.955 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.819 -4.455 -5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.805 -5.807 -6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.913 -3.744 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.842 -4.699 -5.632 1.00 0.00 H new ATOM 221 N GLY A 15 -8.619 -1.294 -6.353 1.00 0.00 N ATOM 222 CA GLY A 15 -9.695 -0.295 -6.096 1.00 0.00 C ATOM 223 C GLY A 15 -11.054 -1.000 -6.131 1.00 0.00 C ATOM 224 O GLY A 15 -12.079 -0.367 -6.236 1.00 0.00 O ATOM 0 H GLY A 15 -8.024 -1.499 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.543 0.180 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.662 0.495 -6.847 1.00 0.00 H new ATOM 228 N SER A 16 -11.063 -2.309 -6.037 1.00 0.00 N ATOM 229 CA SER A 16 -12.344 -3.072 -6.073 1.00 0.00 C ATOM 230 C SER A 16 -12.289 -4.259 -5.098 1.00 0.00 C ATOM 231 O SER A 16 -13.165 -5.106 -5.093 1.00 0.00 O ATOM 232 CB SER A 16 -12.441 -3.583 -7.508 1.00 0.00 C ATOM 233 OG SER A 16 -13.215 -2.687 -8.287 1.00 0.00 O ATOM 0 H SER A 16 -10.226 -2.884 -5.936 1.00 0.00 H new ATOM 0 HA SER A 16 -13.198 -2.460 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.444 -3.683 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.894 -4.574 -7.521 1.00 0.00 H new ATOM 0 HG SER A 16 -13.313 -3.043 -9.195 1.00 0.00 H new ATOM 239 N GLN A 17 -11.272 -4.325 -4.270 1.00 0.00 N ATOM 240 CA GLN A 17 -11.156 -5.447 -3.295 1.00 0.00 C ATOM 241 C GLN A 17 -10.716 -4.914 -1.922 1.00 0.00 C ATOM 242 O GLN A 17 -11.456 -5.020 -0.971 1.00 0.00 O ATOM 243 CB GLN A 17 -10.120 -6.407 -3.879 1.00 0.00 C ATOM 244 CG GLN A 17 -10.799 -7.348 -4.881 1.00 0.00 C ATOM 245 CD GLN A 17 -10.117 -7.227 -6.248 1.00 0.00 C ATOM 246 OE1 GLN A 17 -9.139 -7.899 -6.512 1.00 0.00 O ATOM 247 NE2 GLN A 17 -10.592 -6.394 -7.139 1.00 0.00 N ATOM 0 H GLN A 17 -10.515 -3.643 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.109 -5.954 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.326 -5.846 -4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.654 -6.984 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.741 -8.377 -4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.857 -7.100 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.412 -5.828 -6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.142 -6.311 -8.050 1.00 0.00 H new ATOM 256 N PRO A 18 -9.537 -4.332 -1.851 1.00 0.00 N ATOM 257 CA PRO A 18 -9.069 -3.760 -0.564 1.00 0.00 C ATOM 258 C PRO A 18 -9.887 -2.500 -0.240 1.00 0.00 C ATOM 259 O PRO A 18 -10.087 -2.157 0.910 1.00 0.00 O ATOM 260 CB PRO A 18 -7.607 -3.416 -0.827 1.00 0.00 C ATOM 261 CG PRO A 18 -7.532 -3.228 -2.307 1.00 0.00 C ATOM 262 CD PRO A 18 -8.542 -4.160 -2.920 1.00 0.00 C ATOM 0 HA PRO A 18 -9.183 -4.435 0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.309 -2.512 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.944 -4.215 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.748 -2.194 -2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.530 -3.450 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.987 -3.735 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.091 -5.110 -3.206 1.00 0.00 H new ATOM 270 N LYS A 19 -10.374 -1.822 -1.257 1.00 0.00 N ATOM 271 CA LYS A 19 -11.199 -0.595 -1.034 1.00 0.00 C ATOM 272 C LYS A 19 -12.676 -0.986 -0.931 1.00 0.00 C ATOM 273 O LYS A 19 -13.387 -0.526 -0.056 1.00 0.00 O ATOM 274 CB LYS A 19 -10.958 0.286 -2.261 1.00 0.00 C ATOM 275 CG LYS A 19 -9.467 0.609 -2.382 1.00 0.00 C ATOM 276 CD LYS A 19 -9.067 1.592 -1.279 1.00 0.00 C ATOM 277 CE LYS A 19 -7.633 2.076 -1.512 1.00 0.00 C ATOM 278 NZ LYS A 19 -7.271 2.778 -0.245 1.00 0.00 N ATOM 0 H LYS A 19 -10.232 -2.071 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.933 -0.075 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.303 -0.224 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.534 1.208 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.878 -0.305 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.255 1.039 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.750 2.441 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.144 1.110 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.959 1.243 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.574 2.746 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.300 3.144 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.928 3.568 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.333 2.111 0.551 1.00 0.00 H new ATOM 292 N THR A 20 -13.134 -1.856 -1.805 1.00 0.00 N ATOM 293 CA THR A 20 -14.556 -2.306 -1.745 1.00 0.00 C ATOM 294 C THR A 20 -14.711 -3.282 -0.582 1.00 0.00 C ATOM 295 O THR A 20 -15.629 -3.180 0.209 1.00 0.00 O ATOM 296 CB THR A 20 -14.820 -3.001 -3.086 1.00 0.00 C ATOM 297 OG1 THR A 20 -14.713 -2.049 -4.138 1.00 0.00 O ATOM 298 CG2 THR A 20 -16.227 -3.609 -3.090 1.00 0.00 C ATOM 0 H THR A 20 -12.581 -2.271 -2.555 1.00 0.00 H new ATOM 0 HA THR A 20 -15.258 -1.487 -1.587 1.00 0.00 H new ATOM 0 HB THR A 20 -14.087 -3.794 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.176 -2.386 -4.933 1.00 0.00 H new ATOM 0 HG21 THR A 20 -16.408 -4.101 -4.046 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.310 -4.339 -2.285 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.965 -2.820 -2.943 1.00 0.00 H new ATOM 306 N ALA A 21 -13.795 -4.215 -0.481 1.00 0.00 N ATOM 307 CA ALA A 21 -13.810 -5.236 0.622 1.00 0.00 C ATOM 308 C ALA A 21 -15.032 -6.172 0.552 1.00 0.00 C ATOM 309 O ALA A 21 -15.038 -7.211 1.181 1.00 0.00 O ATOM 310 CB ALA A 21 -13.793 -4.437 1.926 1.00 0.00 C ATOM 0 H ALA A 21 -13.017 -4.316 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.949 -5.899 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.803 -5.123 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.892 -3.824 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.672 -3.794 1.970 1.00 0.00 H new ATOM 316 N CYS A 22 -16.049 -5.854 -0.221 1.00 0.00 N ATOM 317 CA CYS A 22 -17.218 -6.779 -0.320 1.00 0.00 C ATOM 318 C CYS A 22 -16.727 -8.148 -0.801 1.00 0.00 C ATOM 319 O CYS A 22 -17.314 -9.171 -0.500 1.00 0.00 O ATOM 320 CB CYS A 22 -18.158 -6.145 -1.350 1.00 0.00 C ATOM 321 SG CYS A 22 -19.789 -6.924 -1.243 1.00 0.00 S ATOM 0 H CYS A 22 -16.116 -5.003 -0.780 1.00 0.00 H new ATOM 0 HA CYS A 22 -17.725 -6.923 0.634 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -18.243 -5.073 -1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -17.750 -6.267 -2.353 1.00 0.00 H new ATOM 0 HG CYS A 22 -20.586 -6.384 -2.116 1.00 0.00 H new ATOM 327 N ASN A 23 -15.639 -8.168 -1.536 1.00 0.00 N ATOM 328 CA ASN A 23 -15.087 -9.467 -2.031 1.00 0.00 C ATOM 329 C ASN A 23 -14.359 -10.230 -0.901 1.00 0.00 C ATOM 330 O ASN A 23 -14.298 -11.445 -0.920 1.00 0.00 O ATOM 331 CB ASN A 23 -14.121 -9.093 -3.166 1.00 0.00 C ATOM 332 CG ASN A 23 -12.725 -8.797 -2.612 1.00 0.00 C ATOM 333 OD1 ASN A 23 -11.834 -9.616 -2.712 1.00 0.00 O ATOM 334 ND2 ASN A 23 -12.495 -7.654 -2.028 1.00 0.00 N ATOM 0 H ASN A 23 -15.111 -7.340 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.875 -10.134 -2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.066 -9.908 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.499 -8.221 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.568 -7.449 -1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.242 -6.965 -1.943 1.00 0.00 H new ATOM 341 N ARG A 24 -13.805 -9.539 0.081 1.00 0.00 N ATOM 342 CA ARG A 24 -13.093 -10.249 1.183 1.00 0.00 C ATOM 343 C ARG A 24 -13.248 -9.511 2.541 1.00 0.00 C ATOM 344 O ARG A 24 -13.903 -10.014 3.432 1.00 0.00 O ATOM 345 CB ARG A 24 -11.613 -10.361 0.738 1.00 0.00 C ATOM 346 CG ARG A 24 -11.018 -9.005 0.349 1.00 0.00 C ATOM 347 CD ARG A 24 -9.746 -9.223 -0.479 1.00 0.00 C ATOM 348 NE ARG A 24 -8.648 -9.280 0.536 1.00 0.00 N ATOM 349 CZ ARG A 24 -7.455 -9.693 0.194 1.00 0.00 C ATOM 350 NH1 ARG A 24 -6.617 -8.872 -0.387 1.00 0.00 N ATOM 351 NH2 ARG A 24 -7.097 -10.927 0.438 1.00 0.00 N ATOM 0 H ARG A 24 -13.820 -8.522 0.158 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.518 -11.238 1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.025 -10.795 1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.541 -11.043 -0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.744 -8.429 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.788 -8.427 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.801 -10.145 -1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.590 -8.411 -1.189 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.831 -8.996 1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.894 -7.908 -0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.687 -9.196 -0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.748 -11.566 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.167 -11.250 0.172 1.00 0.00 H new ATOM 365 N CYS A 25 -12.654 -8.341 2.707 1.00 0.00 N ATOM 366 CA CYS A 25 -12.750 -7.565 4.002 1.00 0.00 C ATOM 367 C CYS A 25 -12.357 -8.407 5.234 1.00 0.00 C ATOM 368 O CYS A 25 -13.108 -8.541 6.180 1.00 0.00 O ATOM 369 CB CYS A 25 -14.197 -7.056 4.080 1.00 0.00 C ATOM 370 SG CYS A 25 -15.333 -8.284 4.781 1.00 0.00 S ATOM 0 H CYS A 25 -12.096 -7.883 1.986 1.00 0.00 H new ATOM 0 HA CYS A 25 -12.040 -6.738 4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.227 -6.151 4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.536 -6.782 3.081 1.00 0.00 H new ATOM 0 HG CYS A 25 -14.955 -9.476 4.427 1.00 0.00 H new ATOM 376 N HIS A 26 -11.161 -8.936 5.241 1.00 0.00 N ATOM 377 CA HIS A 26 -10.684 -9.734 6.418 1.00 0.00 C ATOM 378 C HIS A 26 -9.171 -9.986 6.316 1.00 0.00 C ATOM 379 O HIS A 26 -8.446 -9.819 7.278 1.00 0.00 O ATOM 380 CB HIS A 26 -11.475 -11.067 6.445 1.00 0.00 C ATOM 381 CG HIS A 26 -11.820 -11.592 5.065 1.00 0.00 C ATOM 382 ND1 HIS A 26 -12.661 -12.682 4.888 1.00 0.00 N ATOM 383 CD2 HIS A 26 -11.449 -11.208 3.801 1.00 0.00 C ATOM 384 CE1 HIS A 26 -12.756 -12.911 3.565 1.00 0.00 C ATOM 385 NE2 HIS A 26 -12.032 -12.052 2.866 1.00 0.00 N ATOM 0 H HIS A 26 -10.488 -8.851 4.479 1.00 0.00 H new ATOM 0 HA HIS A 26 -10.857 -9.187 7.345 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.889 -11.818 6.975 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.395 -10.923 7.011 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -13.123 -13.213 5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -10.802 -10.375 3.569 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.350 -13.699 3.128 1.00 0.00 H new ATOM 393 N CYS A 27 -8.690 -10.366 5.156 1.00 0.00 N ATOM 394 CA CYS A 27 -7.226 -10.607 4.980 1.00 0.00 C ATOM 395 C CYS A 27 -6.539 -9.335 4.452 1.00 0.00 C ATOM 396 O CYS A 27 -5.326 -9.230 4.461 1.00 0.00 O ATOM 397 CB CYS A 27 -7.139 -11.740 3.954 1.00 0.00 C ATOM 398 SG CYS A 27 -5.464 -12.428 3.942 1.00 0.00 S ATOM 0 H CYS A 27 -9.254 -10.520 4.320 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.728 -10.866 5.915 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.861 -12.520 4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.396 -11.366 2.963 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.607 -11.487 4.205 1.00 0.00 H new ATOM 404 N LYS A 28 -7.307 -8.365 4.005 1.00 0.00 N ATOM 405 CA LYS A 28 -6.711 -7.094 3.486 1.00 0.00 C ATOM 406 C LYS A 28 -6.116 -6.288 4.650 1.00 0.00 C ATOM 407 O LYS A 28 -4.926 -6.036 4.697 1.00 0.00 O ATOM 408 CB LYS A 28 -7.885 -6.349 2.834 1.00 0.00 C ATOM 409 CG LYS A 28 -7.604 -4.840 2.762 1.00 0.00 C ATOM 410 CD LYS A 28 -8.657 -4.070 3.568 1.00 0.00 C ATOM 411 CE LYS A 28 -10.067 -4.478 3.121 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.977 -3.642 3.957 1.00 0.00 N ATOM 0 H LYS A 28 -8.326 -8.402 3.979 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.901 -7.262 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.057 -6.739 1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.796 -6.527 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.609 -4.628 3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.616 -4.509 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.532 -4.273 4.632 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.519 -2.998 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.217 -4.288 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.243 -5.541 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.943 -4.025 3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.650 -3.653 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.974 -2.664 3.602 1.00 0.00 H new ATOM 426 N LYS A 29 -6.940 -5.890 5.589 1.00 0.00 N ATOM 427 CA LYS A 29 -6.432 -5.107 6.757 1.00 0.00 C ATOM 428 C LYS A 29 -5.800 -6.042 7.798 1.00 0.00 C ATOM 429 O LYS A 29 -4.936 -5.625 8.532 1.00 0.00 O ATOM 430 CB LYS A 29 -7.657 -4.372 7.334 1.00 0.00 C ATOM 431 CG LYS A 29 -8.530 -5.322 8.168 1.00 0.00 C ATOM 432 CD LYS A 29 -9.501 -6.067 7.249 1.00 0.00 C ATOM 433 CE LYS A 29 -10.870 -6.197 7.924 1.00 0.00 C ATOM 434 NZ LYS A 29 -11.475 -4.836 7.817 1.00 0.00 N ATOM 0 H LYS A 29 -7.943 -6.074 5.596 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.654 -4.402 6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.326 -3.539 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.248 -3.950 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.902 -6.034 8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.084 -4.758 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.602 -5.533 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.107 -7.056 7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.487 -6.945 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.771 -6.506 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.716 -4.488 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.794 -4.187 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.337 -4.884 7.237 1.00 0.00 H new ATOM 448 N CYS A 30 -6.233 -7.297 7.846 1.00 0.00 N ATOM 449 CA CYS A 30 -5.688 -8.327 8.817 1.00 0.00 C ATOM 450 C CYS A 30 -5.160 -7.719 10.133 1.00 0.00 C ATOM 451 O CYS A 30 -4.208 -8.212 10.712 1.00 0.00 O ATOM 452 CB CYS A 30 -4.560 -9.028 8.051 1.00 0.00 C ATOM 453 SG CYS A 30 -4.841 -10.816 8.049 1.00 0.00 S ATOM 0 H CYS A 30 -6.964 -7.659 7.233 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.480 -9.006 9.133 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.517 -8.656 7.027 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.599 -8.802 8.513 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.883 -11.405 7.396 1.00 0.00 H new ATOM 459 N CYS A 31 -5.783 -6.672 10.615 1.00 0.00 N ATOM 460 CA CYS A 31 -5.356 -6.023 11.895 1.00 0.00 C ATOM 461 C CYS A 31 -3.823 -5.846 12.016 1.00 0.00 C ATOM 462 O CYS A 31 -3.234 -6.221 13.013 1.00 0.00 O ATOM 463 CB CYS A 31 -5.883 -6.951 12.993 1.00 0.00 C ATOM 464 SG CYS A 31 -6.124 -6.010 14.519 1.00 0.00 S ATOM 0 H CYS A 31 -6.586 -6.231 10.166 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.752 -5.009 11.960 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.824 -7.403 12.680 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.179 -7.766 13.163 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.573 -6.799 15.449 1.00 0.00 H new ATOM 470 N TYR A 32 -3.177 -5.237 11.046 1.00 0.00 N ATOM 471 CA TYR A 32 -1.697 -5.004 11.163 1.00 0.00 C ATOM 472 C TYR A 32 -1.318 -3.738 10.393 1.00 0.00 C ATOM 473 O TYR A 32 -0.281 -3.672 9.759 1.00 0.00 O ATOM 474 CB TYR A 32 -0.990 -6.247 10.581 1.00 0.00 C ATOM 475 CG TYR A 32 -1.220 -6.395 9.093 1.00 0.00 C ATOM 476 CD1 TYR A 32 -2.501 -6.620 8.599 1.00 0.00 C ATOM 477 CD2 TYR A 32 -0.139 -6.312 8.209 1.00 0.00 C ATOM 478 CE1 TYR A 32 -2.713 -6.762 7.226 1.00 0.00 C ATOM 479 CE2 TYR A 32 -0.350 -6.455 6.830 1.00 0.00 C ATOM 480 CZ TYR A 32 -1.639 -6.678 6.339 1.00 0.00 C ATOM 481 OH TYR A 32 -1.851 -6.820 4.983 1.00 0.00 O ATOM 0 H TYR A 32 -3.605 -4.894 10.186 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.395 -4.861 12.200 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.080 -6.178 10.776 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.350 -7.140 11.092 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.336 -6.685 9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.857 -6.138 8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.710 -6.937 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.484 -6.393 6.147 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.783 -6.602 4.773 1.00 0.00 H new ATOM 491 N HIS A 33 -2.171 -2.732 10.440 1.00 0.00 N ATOM 492 CA HIS A 33 -1.903 -1.454 9.705 1.00 0.00 C ATOM 493 C HIS A 33 -1.644 -1.740 8.215 1.00 0.00 C ATOM 494 O HIS A 33 -1.100 -0.916 7.505 1.00 0.00 O ATOM 495 CB HIS A 33 -0.661 -0.842 10.371 1.00 0.00 C ATOM 496 CG HIS A 33 -0.982 -0.454 11.789 1.00 0.00 C ATOM 497 ND1 HIS A 33 -1.514 0.782 12.118 1.00 0.00 N ATOM 498 CD2 HIS A 33 -0.849 -1.134 12.975 1.00 0.00 C ATOM 499 CE1 HIS A 33 -1.681 0.807 13.453 1.00 0.00 C ATOM 500 NE2 HIS A 33 -1.291 -0.335 14.024 1.00 0.00 N ATOM 0 H HIS A 33 -3.047 -2.747 10.962 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.752 -0.772 9.752 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.160 -1.558 10.357 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.330 0.033 9.811 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.460 -2.136 13.077 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.082 1.649 13.997 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.313 -0.571 15.016 1.00 0.00 H new ATOM 508 N CYS A 34 -2.040 -2.908 7.744 1.00 0.00 N ATOM 509 CA CYS A 34 -1.835 -3.286 6.315 1.00 0.00 C ATOM 510 C CYS A 34 -0.332 -3.230 5.936 1.00 0.00 C ATOM 511 O CYS A 34 0.490 -3.829 6.602 1.00 0.00 O ATOM 512 CB CYS A 34 -2.673 -2.284 5.515 1.00 0.00 C ATOM 513 SG CYS A 34 -3.061 -2.982 3.890 1.00 0.00 S ATOM 0 H CYS A 34 -2.504 -3.621 8.306 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.144 -4.311 6.108 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.593 -2.052 6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.127 -1.348 5.399 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.748 -4.075 4.040 1.00 0.00 H new ATOM 519 N GLN A 35 0.020 -2.515 4.878 1.00 0.00 N ATOM 520 CA GLN A 35 1.456 -2.387 4.422 1.00 0.00 C ATOM 521 C GLN A 35 1.938 -3.614 3.631 1.00 0.00 C ATOM 522 O GLN A 35 2.924 -3.531 2.927 1.00 0.00 O ATOM 523 CB GLN A 35 2.311 -2.185 5.671 1.00 0.00 C ATOM 524 CG GLN A 35 1.769 -0.998 6.459 1.00 0.00 C ATOM 525 CD GLN A 35 2.186 -1.140 7.908 1.00 0.00 C ATOM 526 OE1 GLN A 35 3.076 -0.457 8.368 1.00 0.00 O ATOM 527 NE2 GLN A 35 1.575 -2.012 8.649 1.00 0.00 N ATOM 0 H GLN A 35 -0.645 -2.003 4.299 1.00 0.00 H new ATOM 0 HA GLN A 35 1.542 -1.541 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.295 -3.084 6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.350 -2.008 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.152 -0.065 6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.682 -0.958 6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.827 -2.582 8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.842 -2.127 9.627 1.00 0.00 H new ATOM 536 N VAL A 36 1.260 -4.739 3.732 1.00 0.00 N ATOM 537 CA VAL A 36 1.675 -5.975 2.977 1.00 0.00 C ATOM 538 C VAL A 36 3.164 -6.297 3.185 1.00 0.00 C ATOM 539 O VAL A 36 3.802 -5.773 4.077 1.00 0.00 O ATOM 540 CB VAL A 36 1.371 -5.679 1.497 1.00 0.00 C ATOM 541 CG1 VAL A 36 -0.149 -5.724 1.329 1.00 0.00 C ATOM 542 CG2 VAL A 36 1.870 -4.461 0.715 1.00 0.00 C ATOM 0 H VAL A 36 0.428 -4.855 4.311 1.00 0.00 H new ATOM 0 HA VAL A 36 1.134 -6.852 3.332 1.00 0.00 H new ATOM 0 HB VAL A 36 1.999 -6.445 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.406 -5.518 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.516 -6.712 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.609 -4.973 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.501 -4.511 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.504 -3.550 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.960 -4.454 0.709 1.00 0.00 H new ATOM 552 N CYS A 37 3.720 -7.165 2.371 1.00 0.00 N ATOM 553 CA CYS A 37 5.168 -7.517 2.520 1.00 0.00 C ATOM 554 C CYS A 37 6.024 -6.445 1.834 1.00 0.00 C ATOM 555 O CYS A 37 6.433 -6.590 0.697 1.00 0.00 O ATOM 556 CB CYS A 37 5.342 -8.888 1.848 1.00 0.00 C ATOM 557 SG CYS A 37 4.718 -8.849 0.148 1.00 0.00 S ATOM 0 H CYS A 37 3.234 -7.643 1.612 1.00 0.00 H new ATOM 0 HA CYS A 37 5.481 -7.561 3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.395 -9.168 1.848 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.810 -9.649 2.419 1.00 0.00 H new ATOM 0 HG CYS A 37 4.878 -10.017 -0.400 1.00 0.00 H new ATOM 563 N PHE A 38 6.273 -5.360 2.519 1.00 0.00 N ATOM 564 CA PHE A 38 7.077 -4.253 1.916 1.00 0.00 C ATOM 565 C PHE A 38 8.576 -4.383 2.268 1.00 0.00 C ATOM 566 O PHE A 38 9.124 -5.466 2.250 1.00 0.00 O ATOM 567 CB PHE A 38 6.440 -2.952 2.447 1.00 0.00 C ATOM 568 CG PHE A 38 6.442 -2.873 3.958 1.00 0.00 C ATOM 569 CD1 PHE A 38 7.517 -2.289 4.625 1.00 0.00 C ATOM 570 CD2 PHE A 38 5.357 -3.366 4.685 1.00 0.00 C ATOM 571 CE1 PHE A 38 7.512 -2.200 6.013 1.00 0.00 C ATOM 572 CE2 PHE A 38 5.352 -3.278 6.075 1.00 0.00 C ATOM 573 CZ PHE A 38 6.429 -2.694 6.741 1.00 0.00 C ATOM 0 H PHE A 38 5.954 -5.191 3.473 1.00 0.00 H new ATOM 0 HA PHE A 38 7.055 -4.274 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.981 -2.096 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.414 -2.881 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.356 -1.905 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.521 -3.816 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.347 -1.748 6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.514 -3.662 6.637 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.425 -2.624 7.819 1.00 0.00 H new ATOM 583 N ILE A 39 9.251 -3.288 2.535 1.00 0.00 N ATOM 584 CA ILE A 39 10.729 -3.346 2.832 1.00 0.00 C ATOM 585 C ILE A 39 11.068 -4.289 4.007 1.00 0.00 C ATOM 586 O ILE A 39 12.156 -4.832 4.055 1.00 0.00 O ATOM 587 CB ILE A 39 11.148 -1.900 3.167 1.00 0.00 C ATOM 588 CG1 ILE A 39 10.531 -1.461 4.498 1.00 0.00 C ATOM 589 CG2 ILE A 39 10.688 -0.943 2.059 1.00 0.00 C ATOM 590 CD1 ILE A 39 11.625 -0.903 5.408 1.00 0.00 C ATOM 0 H ILE A 39 8.845 -2.353 2.561 1.00 0.00 H new ATOM 0 HA ILE A 39 11.266 -3.748 1.973 1.00 0.00 H new ATOM 0 HB ILE A 39 12.235 -1.870 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.766 -0.704 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.039 -2.306 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.990 0.074 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.144 -1.236 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.603 -0.987 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.186 -0.590 6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.374 -1.674 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.097 -0.046 4.927 1.00 0.00 H new ATOM 602 N THR A 40 10.173 -4.494 4.948 1.00 0.00 N ATOM 603 CA THR A 40 10.496 -5.405 6.090 1.00 0.00 C ATOM 604 C THR A 40 9.397 -6.448 6.289 1.00 0.00 C ATOM 605 O THR A 40 8.234 -6.203 6.024 1.00 0.00 O ATOM 606 CB THR A 40 10.581 -4.502 7.328 1.00 0.00 C ATOM 607 OG1 THR A 40 11.613 -3.542 7.151 1.00 0.00 O ATOM 608 CG2 THR A 40 10.881 -5.356 8.564 1.00 0.00 C ATOM 0 H THR A 40 9.244 -4.074 4.973 1.00 0.00 H new ATOM 0 HA THR A 40 11.423 -5.948 5.907 1.00 0.00 H new ATOM 0 HB THR A 40 9.630 -3.987 7.465 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.555 -2.865 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.941 -4.715 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.085 -6.088 8.703 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.830 -5.874 8.427 1.00 0.00 H new ATOM 616 N LYS A 41 9.764 -7.605 6.779 1.00 0.00 N ATOM 617 CA LYS A 41 8.750 -8.670 7.030 1.00 0.00 C ATOM 618 C LYS A 41 7.907 -8.297 8.252 1.00 0.00 C ATOM 619 O LYS A 41 8.226 -7.375 8.980 1.00 0.00 O ATOM 620 CB LYS A 41 9.553 -9.949 7.273 1.00 0.00 C ATOM 621 CG LYS A 41 10.131 -10.436 5.940 1.00 0.00 C ATOM 622 CD LYS A 41 9.086 -11.275 5.196 1.00 0.00 C ATOM 623 CE LYS A 41 8.116 -10.350 4.446 1.00 0.00 C ATOM 624 NZ LYS A 41 6.787 -10.615 5.069 1.00 0.00 N ATOM 0 H LYS A 41 10.724 -7.857 7.016 1.00 0.00 H new ATOM 0 HA LYS A 41 8.059 -8.798 6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.356 -9.760 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.915 -10.717 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.428 -9.584 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.028 -11.029 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.579 -11.947 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.537 -11.898 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.403 -9.304 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.104 -10.569 3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.096 -9.919 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.470 -11.573 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.867 -10.539 6.103 1.00 0.00 H new ATOM 638 N GLY A 42 6.818 -8.984 8.466 1.00 0.00 N ATOM 639 CA GLY A 42 5.938 -8.645 9.618 1.00 0.00 C ATOM 640 C GLY A 42 4.820 -7.715 9.128 1.00 0.00 C ATOM 641 O GLY A 42 3.767 -7.645 9.724 1.00 0.00 O ATOM 0 H GLY A 42 6.500 -9.765 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.513 -9.552 10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.516 -8.159 10.404 1.00 0.00 H new ATOM 645 N LEU A 43 5.038 -7.021 8.029 1.00 0.00 N ATOM 646 CA LEU A 43 3.991 -6.111 7.461 1.00 0.00 C ATOM 647 C LEU A 43 3.725 -4.913 8.377 1.00 0.00 C ATOM 648 O LEU A 43 2.591 -4.547 8.621 1.00 0.00 O ATOM 649 CB LEU A 43 2.735 -6.969 7.322 1.00 0.00 C ATOM 650 CG LEU A 43 2.952 -8.031 6.250 1.00 0.00 C ATOM 651 CD1 LEU A 43 4.103 -9.020 6.432 1.00 0.00 C ATOM 652 CD2 LEU A 43 1.666 -8.853 6.339 1.00 0.00 C ATOM 0 H LEU A 43 5.908 -7.049 7.498 1.00 0.00 H new ATOM 0 HA LEU A 43 4.312 -5.694 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.500 -7.443 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.883 -6.343 7.059 1.00 0.00 H new ATOM 0 HG LEU A 43 3.195 -7.516 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.126 -9.710 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.046 -8.476 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.959 -9.580 7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.699 -9.660 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.572 -9.274 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.809 -8.212 6.133 1.00 0.00 H new ATOM 664 N GLY A 44 4.762 -4.286 8.864 1.00 0.00 N ATOM 665 CA GLY A 44 4.576 -3.091 9.745 1.00 0.00 C ATOM 666 C GLY A 44 4.020 -3.486 11.117 1.00 0.00 C ATOM 667 O GLY A 44 3.666 -2.632 11.908 1.00 0.00 O ATOM 0 H GLY A 44 5.732 -4.548 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.530 -2.579 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.897 -2.386 9.265 1.00 0.00 H new ATOM 671 N ILE A 45 3.926 -4.761 11.412 1.00 0.00 N ATOM 672 CA ILE A 45 3.383 -5.172 12.751 1.00 0.00 C ATOM 673 C ILE A 45 4.163 -4.495 13.898 1.00 0.00 C ATOM 674 O ILE A 45 3.581 -3.803 14.711 1.00 0.00 O ATOM 675 CB ILE A 45 3.516 -6.702 12.833 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.886 -7.159 12.307 1.00 0.00 C ATOM 677 CG2 ILE A 45 2.394 -7.352 12.019 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.712 -7.738 13.459 1.00 0.00 C ATOM 0 H ILE A 45 4.197 -5.527 10.795 1.00 0.00 H new ATOM 0 HA ILE A 45 2.343 -4.864 12.855 1.00 0.00 H new ATOM 0 HB ILE A 45 3.435 -7.009 13.876 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.755 -7.909 11.527 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.412 -6.318 11.856 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.485 -8.437 12.075 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.428 -7.048 12.423 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.468 -7.035 10.979 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.683 -8.061 13.084 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.854 -6.975 14.224 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.187 -8.591 13.890 1.00 0.00 H new ATOM 690 N SER A 46 5.469 -4.683 13.971 1.00 0.00 N ATOM 691 CA SER A 46 6.264 -4.040 15.074 1.00 0.00 C ATOM 692 C SER A 46 7.771 -4.353 14.952 1.00 0.00 C ATOM 693 O SER A 46 8.458 -4.477 15.948 1.00 0.00 O ATOM 694 CB SER A 46 5.710 -4.647 16.371 1.00 0.00 C ATOM 695 OG SER A 46 5.891 -3.730 17.441 1.00 0.00 O ATOM 0 H SER A 46 6.012 -5.249 13.319 1.00 0.00 H new ATOM 0 HA SER A 46 6.172 -2.954 15.040 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.652 -4.879 16.253 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.219 -5.585 16.592 1.00 0.00 H new ATOM 0 HG SER A 46 5.536 -4.118 18.268 1.00 0.00 H new ATOM 701 N TYR A 47 8.297 -4.472 13.752 1.00 0.00 N ATOM 702 CA TYR A 47 9.762 -4.767 13.604 1.00 0.00 C ATOM 703 C TYR A 47 10.605 -3.491 13.803 1.00 0.00 C ATOM 704 O TYR A 47 11.784 -3.560 14.090 1.00 0.00 O ATOM 705 CB TYR A 47 9.928 -5.299 12.171 1.00 0.00 C ATOM 706 CG TYR A 47 9.578 -4.216 11.173 1.00 0.00 C ATOM 707 CD1 TYR A 47 10.512 -3.225 10.848 1.00 0.00 C ATOM 708 CD2 TYR A 47 8.313 -4.200 10.581 1.00 0.00 C ATOM 709 CE1 TYR A 47 10.178 -2.222 9.939 1.00 0.00 C ATOM 710 CE2 TYR A 47 7.980 -3.203 9.671 1.00 0.00 C ATOM 711 CZ TYR A 47 8.913 -2.208 9.348 1.00 0.00 C ATOM 712 OH TYR A 47 8.580 -1.208 8.457 1.00 0.00 O ATOM 0 H TYR A 47 7.781 -4.379 12.877 1.00 0.00 H new ATOM 0 HA TYR A 47 10.102 -5.485 14.350 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.954 -5.632 12.014 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.285 -6.166 12.019 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.492 -3.237 11.302 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.592 -4.964 10.831 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.898 -1.456 9.692 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.002 -3.195 9.213 1.00 0.00 H new ATOM 0 HH TYR A 47 7.752 -1.448 7.990 1.00 0.00 H new ATOM 722 N GLY A 48 10.012 -2.333 13.622 1.00 0.00 N ATOM 723 CA GLY A 48 10.770 -1.053 13.763 1.00 0.00 C ATOM 724 C GLY A 48 10.619 -0.285 12.447 1.00 0.00 C ATOM 725 O GLY A 48 11.565 -0.110 11.702 1.00 0.00 O ATOM 0 H GLY A 48 9.027 -2.222 13.381 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.382 -0.467 14.596 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.821 -1.250 13.974 1.00 0.00 H new ATOM 729 N ARG A 49 9.418 0.141 12.151 1.00 0.00 N ATOM 730 CA ARG A 49 9.145 0.872 10.873 1.00 0.00 C ATOM 731 C ARG A 49 9.787 2.263 10.872 1.00 0.00 C ATOM 732 O ARG A 49 10.119 2.809 11.909 1.00 0.00 O ATOM 733 CB ARG A 49 7.625 0.988 10.811 1.00 0.00 C ATOM 734 CG ARG A 49 6.989 -0.397 10.944 1.00 0.00 C ATOM 735 CD ARG A 49 5.573 -0.245 11.489 1.00 0.00 C ATOM 736 NE ARG A 49 4.845 0.411 10.370 1.00 0.00 N ATOM 737 CZ ARG A 49 3.756 1.096 10.607 1.00 0.00 C ATOM 738 NH1 ARG A 49 2.696 0.496 11.086 1.00 0.00 N ATOM 739 NH2 ARG A 49 3.727 2.379 10.361 1.00 0.00 N ATOM 0 H ARG A 49 8.602 0.012 12.749 1.00 0.00 H new ATOM 0 HA ARG A 49 9.563 0.347 10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.269 1.639 11.609 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.325 1.446 9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.968 -0.896 9.975 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.584 -1.021 11.611 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.134 -1.210 11.744 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.553 0.363 12.393 1.00 0.00 H new ATOM 0 HE ARG A 49 5.196 0.327 9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.719 -0.506 11.275 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.847 1.031 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.553 2.845 9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.879 2.915 10.545 1.00 0.00 H new ATOM 753 N LYS A 50 9.957 2.838 9.706 1.00 0.00 N ATOM 754 CA LYS A 50 10.569 4.197 9.607 1.00 0.00 C ATOM 755 C LYS A 50 9.658 5.171 8.832 1.00 0.00 C ATOM 756 O LYS A 50 9.985 6.333 8.690 1.00 0.00 O ATOM 757 CB LYS A 50 11.903 3.995 8.874 1.00 0.00 C ATOM 758 CG LYS A 50 11.679 3.291 7.528 1.00 0.00 C ATOM 759 CD LYS A 50 12.025 1.802 7.654 1.00 0.00 C ATOM 760 CE LYS A 50 13.488 1.640 8.084 1.00 0.00 C ATOM 761 NZ LYS A 50 13.906 0.336 7.493 1.00 0.00 N ATOM 0 H LYS A 50 9.696 2.420 8.813 1.00 0.00 H new ATOM 0 HA LYS A 50 10.711 4.639 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.384 4.959 8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.578 3.403 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.641 3.407 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.297 3.753 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.368 1.328 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.859 1.299 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.104 2.460 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.585 1.633 9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.898 0.146 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.304 -0.424 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.807 0.376 6.458 1.00 0.00 H new ATOM 775 N LYS A 51 8.517 4.705 8.346 1.00 0.00 N ATOM 776 CA LYS A 51 7.550 5.585 7.587 1.00 0.00 C ATOM 777 C LYS A 51 8.073 5.963 6.190 1.00 0.00 C ATOM 778 O LYS A 51 7.354 5.861 5.213 1.00 0.00 O ATOM 779 CB LYS A 51 7.347 6.848 8.436 1.00 0.00 C ATOM 780 CG LYS A 51 6.794 6.466 9.813 1.00 0.00 C ATOM 781 CD LYS A 51 5.291 6.755 9.865 1.00 0.00 C ATOM 782 CE LYS A 51 4.535 5.698 9.052 1.00 0.00 C ATOM 783 NZ LYS A 51 3.162 5.694 9.635 1.00 0.00 N ATOM 0 H LYS A 51 8.212 3.737 8.446 1.00 0.00 H new ATOM 0 HA LYS A 51 6.615 5.049 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.293 7.377 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.659 7.528 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.978 5.410 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.309 7.029 10.591 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.945 6.749 10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.088 7.749 9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.516 5.951 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.006 4.719 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.575 4.996 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.214 5.445 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.739 6.639 9.533 1.00 0.00 H new ATOM 797 N ARG A 52 9.303 6.409 6.081 1.00 0.00 N ATOM 798 CA ARG A 52 9.846 6.802 4.741 1.00 0.00 C ATOM 799 C ARG A 52 10.387 5.576 3.992 1.00 0.00 C ATOM 800 O ARG A 52 11.047 5.702 2.977 1.00 0.00 O ATOM 801 CB ARG A 52 10.975 7.807 5.020 1.00 0.00 C ATOM 802 CG ARG A 52 10.604 8.775 6.159 1.00 0.00 C ATOM 803 CD ARG A 52 9.143 9.247 6.050 1.00 0.00 C ATOM 804 NE ARG A 52 9.004 9.774 4.662 1.00 0.00 N ATOM 805 CZ ARG A 52 9.429 10.975 4.368 1.00 0.00 C ATOM 806 NH1 ARG A 52 8.735 12.022 4.732 1.00 0.00 N ATOM 807 NH2 ARG A 52 10.548 11.129 3.707 1.00 0.00 N ATOM 0 H ARG A 52 9.953 6.518 6.860 1.00 0.00 H new ATOM 0 HA ARG A 52 9.070 7.238 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.886 7.268 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.189 8.375 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.757 8.283 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.269 9.639 6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.450 8.426 6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.922 10.018 6.788 1.00 0.00 H new ATOM 0 HE ARG A 52 8.576 9.195 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.862 11.902 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.067 12.959 4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.088 10.312 3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.880 12.066 3.477 1.00 0.00 H new ATOM 821 N ARG A 53 10.100 4.391 4.479 1.00 0.00 N ATOM 822 CA ARG A 53 10.575 3.146 3.797 1.00 0.00 C ATOM 823 C ARG A 53 10.017 3.056 2.367 1.00 0.00 C ATOM 824 O ARG A 53 10.530 2.325 1.542 1.00 0.00 O ATOM 825 CB ARG A 53 10.030 1.997 4.653 1.00 0.00 C ATOM 826 CG ARG A 53 8.512 2.151 4.833 1.00 0.00 C ATOM 827 CD ARG A 53 7.821 0.804 4.620 1.00 0.00 C ATOM 828 NE ARG A 53 6.372 1.151 4.526 1.00 0.00 N ATOM 829 CZ ARG A 53 5.678 1.380 5.612 1.00 0.00 C ATOM 830 NH1 ARG A 53 5.605 2.594 6.095 1.00 0.00 N ATOM 831 NH2 ARG A 53 5.057 0.398 6.212 1.00 0.00 N ATOM 0 H ARG A 53 9.553 4.233 5.326 1.00 0.00 H new ATOM 0 HA ARG A 53 11.661 3.121 3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.253 1.041 4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.521 1.992 5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.292 2.528 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.126 2.883 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.174 0.314 3.712 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.015 0.121 5.447 1.00 0.00 H new ATOM 0 HE ARG A 53 5.921 1.210 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.088 3.360 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.065 2.775 6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.113 -0.548 5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.517 0.578 7.058 1.00 0.00 H new ATOM 845 N GLN A 54 8.969 3.791 2.070 1.00 0.00 N ATOM 846 CA GLN A 54 8.382 3.743 0.696 1.00 0.00 C ATOM 847 C GLN A 54 9.236 4.568 -0.272 1.00 0.00 C ATOM 848 O GLN A 54 9.408 4.199 -1.418 1.00 0.00 O ATOM 849 CB GLN A 54 6.980 4.355 0.826 1.00 0.00 C ATOM 850 CG GLN A 54 6.183 3.614 1.907 1.00 0.00 C ATOM 851 CD GLN A 54 4.856 4.334 2.157 1.00 0.00 C ATOM 852 OE1 GLN A 54 3.801 3.783 1.915 1.00 0.00 O ATOM 853 NE2 GLN A 54 4.861 5.549 2.638 1.00 0.00 N ATOM 0 H GLN A 54 8.498 4.420 2.720 1.00 0.00 H new ATOM 0 HA GLN A 54 8.343 2.726 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.058 5.412 1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.458 4.294 -0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.997 2.587 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.761 3.567 2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.746 6.013 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.980 6.033 2.810 1.00 0.00 H new ATOM 862 N ARG A 55 9.770 5.684 0.183 1.00 0.00 N ATOM 863 CA ARG A 55 10.614 6.553 -0.704 1.00 0.00 C ATOM 864 C ARG A 55 9.840 6.958 -1.974 1.00 0.00 C ATOM 865 O ARG A 55 10.426 7.237 -3.005 1.00 0.00 O ATOM 866 CB ARG A 55 11.842 5.704 -1.060 1.00 0.00 C ATOM 867 CG ARG A 55 12.771 5.608 0.156 1.00 0.00 C ATOM 868 CD ARG A 55 14.102 4.974 -0.260 1.00 0.00 C ATOM 869 NE ARG A 55 14.845 6.075 -0.942 1.00 0.00 N ATOM 870 CZ ARG A 55 15.983 5.826 -1.534 1.00 0.00 C ATOM 871 NH1 ARG A 55 16.007 5.113 -2.632 1.00 0.00 N ATOM 872 NH2 ARG A 55 17.097 6.290 -1.029 1.00 0.00 N ATOM 0 H ARG A 55 9.655 6.030 1.136 1.00 0.00 H new ATOM 0 HA ARG A 55 10.896 7.481 -0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.530 4.707 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.373 6.149 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.944 6.600 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.302 5.011 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.651 4.601 0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.946 4.127 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 55 14.464 7.021 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.138 4.752 -3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.895 4.918 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.077 6.846 -0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 55 17.986 6.096 -1.490 1.00 0.00 H new ATOM 886 N ARG A 56 8.528 7.000 -1.901 1.00 0.00 N ATOM 887 CA ARG A 56 7.706 7.393 -3.090 1.00 0.00 C ATOM 888 C ARG A 56 6.295 7.808 -2.639 1.00 0.00 C ATOM 889 O ARG A 56 5.309 7.505 -3.288 1.00 0.00 O ATOM 890 CB ARG A 56 7.659 6.144 -3.983 1.00 0.00 C ATOM 891 CG ARG A 56 6.707 5.098 -3.387 1.00 0.00 C ATOM 892 CD ARG A 56 7.309 3.704 -3.554 1.00 0.00 C ATOM 893 NE ARG A 56 7.114 3.384 -4.999 1.00 0.00 N ATOM 894 CZ ARG A 56 6.013 2.803 -5.402 1.00 0.00 C ATOM 895 NH1 ARG A 56 5.735 1.585 -5.013 1.00 0.00 N ATOM 896 NH2 ARG A 56 5.193 3.441 -6.197 1.00 0.00 N ATOM 0 H ARG A 56 7.990 6.777 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 56 8.128 8.244 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.328 6.417 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.659 5.721 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.536 5.307 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.738 5.149 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.365 3.693 -3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.809 2.976 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 56 7.841 3.619 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.377 1.088 -4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.877 1.133 -5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.412 4.389 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.334 2.990 -6.512 1.00 0.00 H new ATOM 910 N ARG A 57 6.199 8.500 -1.529 1.00 0.00 N ATOM 911 CA ARG A 57 4.863 8.942 -1.013 1.00 0.00 C ATOM 912 C ARG A 57 4.075 9.715 -2.090 1.00 0.00 C ATOM 913 O ARG A 57 2.913 9.429 -2.311 1.00 0.00 O ATOM 914 CB ARG A 57 5.181 9.843 0.186 1.00 0.00 C ATOM 915 CG ARG A 57 3.907 10.110 0.990 1.00 0.00 C ATOM 916 CD ARG A 57 3.725 9.005 2.031 1.00 0.00 C ATOM 917 NE ARG A 57 2.505 9.411 2.787 1.00 0.00 N ATOM 918 CZ ARG A 57 2.530 9.463 4.093 1.00 0.00 C ATOM 919 NH1 ARG A 57 2.687 8.367 4.788 1.00 0.00 N ATOM 920 NH2 ARG A 57 2.396 10.613 4.701 1.00 0.00 N ATOM 0 H ARG A 57 6.994 8.780 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 57 4.236 8.095 -0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.929 9.368 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.608 10.785 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.970 11.081 1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.044 10.145 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.595 8.031 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.593 8.929 2.686 1.00 0.00 H new ATOM 0 HE ARG A 57 1.650 9.648 2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.790 7.471 4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.707 8.408 5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.272 11.466 4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.415 10.656 5.720 1.00 0.00 H new ATOM 934 N PRO A 58 4.723 10.670 -2.730 1.00 0.00 N ATOM 935 CA PRO A 58 4.046 11.469 -3.780 1.00 0.00 C ATOM 936 C PRO A 58 4.061 10.754 -5.148 1.00 0.00 C ATOM 937 O PRO A 58 3.768 11.361 -6.162 1.00 0.00 O ATOM 938 CB PRO A 58 4.877 12.745 -3.846 1.00 0.00 C ATOM 939 CG PRO A 58 6.242 12.355 -3.360 1.00 0.00 C ATOM 940 CD PRO A 58 6.118 11.096 -2.535 1.00 0.00 C ATOM 0 HA PRO A 58 2.994 11.640 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.918 13.135 -4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.446 13.528 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.911 12.190 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.675 13.158 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.818 10.331 -2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.333 11.287 -1.483 1.00 0.00 H new ATOM 948 N SER A 59 4.406 9.484 -5.198 1.00 0.00 N ATOM 949 CA SER A 59 4.439 8.775 -6.512 1.00 0.00 C ATOM 950 C SER A 59 3.471 7.587 -6.522 1.00 0.00 C ATOM 951 O SER A 59 3.504 6.742 -5.648 1.00 0.00 O ATOM 952 CB SER A 59 5.883 8.292 -6.665 1.00 0.00 C ATOM 953 OG SER A 59 6.727 9.400 -6.947 1.00 0.00 O ATOM 0 H SER A 59 4.663 8.917 -4.390 1.00 0.00 H new ATOM 0 HA SER A 59 4.132 9.427 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.210 7.796 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.949 7.558 -7.468 1.00 0.00 H new ATOM 0 HG SER A 59 7.652 9.091 -7.043 1.00 0.00 H new ATOM 959 N GLN A 60 2.620 7.516 -7.519 1.00 0.00 N ATOM 960 CA GLN A 60 1.651 6.383 -7.619 1.00 0.00 C ATOM 961 C GLN A 60 1.656 5.827 -9.052 1.00 0.00 C ATOM 962 O GLN A 60 2.307 4.843 -9.343 1.00 0.00 O ATOM 963 CB GLN A 60 0.279 6.979 -7.281 1.00 0.00 C ATOM 964 CG GLN A 60 0.172 7.245 -5.780 1.00 0.00 C ATOM 965 CD GLN A 60 -0.776 8.423 -5.535 1.00 0.00 C ATOM 966 OE1 GLN A 60 -1.976 8.292 -5.675 1.00 0.00 O ATOM 967 NE2 GLN A 60 -0.285 9.577 -5.173 1.00 0.00 N ATOM 0 H GLN A 60 2.557 8.201 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 60 1.904 5.564 -6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.132 7.907 -7.833 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.510 6.294 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.196 6.356 -5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.157 7.465 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.722 9.688 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.908 10.367 -5.008 1.00 0.00 H new ATOM 976 N GLY A 61 0.920 6.454 -9.942 1.00 0.00 N ATOM 977 CA GLY A 61 0.851 5.981 -11.355 1.00 0.00 C ATOM 978 C GLY A 61 -0.308 5.001 -11.451 1.00 0.00 C ATOM 979 O GLY A 61 -0.140 3.868 -11.863 1.00 0.00 O ATOM 0 H GLY A 61 0.359 7.282 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.701 6.821 -12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.785 5.500 -11.645 1.00 0.00 H new ATOM 983 N GLY A 62 -1.480 5.420 -11.030 1.00 0.00 N ATOM 984 CA GLY A 62 -2.651 4.502 -11.041 1.00 0.00 C ATOM 985 C GLY A 62 -2.294 3.300 -10.161 1.00 0.00 C ATOM 986 O GLY A 62 -2.765 2.198 -10.376 1.00 0.00 O ATOM 0 H GLY A 62 -1.670 6.359 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.539 5.007 -10.661 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.878 4.180 -12.057 1.00 0.00 H new ATOM 990 N GLN A 63 -1.437 3.508 -9.179 1.00 0.00 N ATOM 991 CA GLN A 63 -1.016 2.394 -8.297 1.00 0.00 C ATOM 992 C GLN A 63 -2.090 2.079 -7.258 1.00 0.00 C ATOM 993 O GLN A 63 -2.241 0.949 -6.847 1.00 0.00 O ATOM 994 CB GLN A 63 0.255 2.892 -7.608 1.00 0.00 C ATOM 995 CG GLN A 63 0.793 1.821 -6.658 1.00 0.00 C ATOM 996 CD GLN A 63 1.978 1.100 -7.305 1.00 0.00 C ATOM 997 OE1 GLN A 63 3.094 1.203 -6.836 1.00 0.00 O ATOM 998 NE2 GLN A 63 1.782 0.369 -8.371 1.00 0.00 N ATOM 0 H GLN A 63 -1.017 4.411 -8.961 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.851 1.476 -8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.010 3.139 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.043 3.807 -7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.103 2.278 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.006 1.105 -6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.845 0.282 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.566 -0.115 -8.809 1.00 0.00 H new ATOM 1007 N THR A 64 -2.805 3.081 -6.802 1.00 0.00 N ATOM 1008 CA THR A 64 -3.837 2.863 -5.743 1.00 0.00 C ATOM 1009 C THR A 64 -3.115 2.433 -4.471 1.00 0.00 C ATOM 1010 O THR A 64 -3.288 1.338 -3.967 1.00 0.00 O ATOM 1011 CB THR A 64 -4.767 1.760 -6.238 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.200 2.047 -7.559 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.974 1.667 -5.303 1.00 0.00 C ATOM 0 H THR A 64 -2.716 4.046 -7.121 1.00 0.00 H new ATOM 0 HA THR A 64 -4.417 3.762 -5.535 1.00 0.00 H new ATOM 0 HB THR A 64 -4.234 0.809 -6.244 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.062 1.260 -8.127 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.644 0.880 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.635 1.435 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.505 2.619 -5.298 1.00 0.00 H new ATOM 1021 N HIS A 65 -2.283 3.297 -3.973 1.00 0.00 N ATOM 1022 CA HIS A 65 -1.499 2.981 -2.749 1.00 0.00 C ATOM 1023 C HIS A 65 -2.424 2.925 -1.523 1.00 0.00 C ATOM 1024 O HIS A 65 -3.633 3.017 -1.638 1.00 0.00 O ATOM 1025 CB HIS A 65 -0.503 4.140 -2.627 1.00 0.00 C ATOM 1026 CG HIS A 65 0.794 3.802 -3.309 1.00 0.00 C ATOM 1027 ND1 HIS A 65 1.548 2.659 -3.340 1.00 0.00 N flip ATOM 1028 CD2 HIS A 65 1.469 4.718 -4.098 1.00 0.00 C flip ATOM 1029 CE1 HIS A 65 2.673 2.858 -4.133 1.00 0.00 C flip ATOM 1030 NE2 HIS A 65 2.573 4.115 -4.567 1.00 0.00 N flip ATOM 0 H HIS A 65 -2.109 4.222 -4.366 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.001 2.013 -2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.929 5.040 -3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.320 4.359 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.163 5.734 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.458 2.148 -4.350 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.253 4.564 -5.181 1.00 0.00 H new ATOM 1038 N GLN A 66 -1.862 2.764 -0.354 1.00 0.00 N ATOM 1039 CA GLN A 66 -2.698 2.688 0.879 1.00 0.00 C ATOM 1040 C GLN A 66 -2.121 3.565 2.004 1.00 0.00 C ATOM 1041 O GLN A 66 -2.800 4.423 2.530 1.00 0.00 O ATOM 1042 CB GLN A 66 -2.715 1.198 1.274 1.00 0.00 C ATOM 1043 CG GLN A 66 -1.307 0.582 1.210 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.270 -0.508 0.136 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -1.040 -0.174 -1.105 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -1.442 -1.673 0.431 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.857 2.682 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.706 3.065 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.114 1.092 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.383 0.652 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.572 1.354 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.039 0.161 2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.622 -1.932 1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.407 -2.392 -0.291 1.00 0.00 H new ATOM 1055 N ASP A 67 -0.884 3.355 2.378 1.00 0.00 N ATOM 1056 CA ASP A 67 -0.265 4.169 3.470 1.00 0.00 C ATOM 1057 C ASP A 67 0.279 5.522 2.958 1.00 0.00 C ATOM 1058 O ASP A 67 0.182 6.511 3.660 1.00 0.00 O ATOM 1059 CB ASP A 67 0.881 3.301 3.993 1.00 0.00 C ATOM 1060 CG ASP A 67 1.640 4.040 5.101 1.00 0.00 C ATOM 1061 OD1 ASP A 67 1.091 4.172 6.182 1.00 0.00 O ATOM 1062 OD2 ASP A 67 2.758 4.458 4.848 1.00 0.00 O ATOM 0 H ASP A 67 -0.271 2.649 1.971 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.998 4.421 4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.488 2.359 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.561 3.054 3.178 1.00 0.00 H new ATOM 1067 N PRO A 68 0.865 5.531 1.773 1.00 0.00 N ATOM 1068 CA PRO A 68 1.440 6.788 1.232 1.00 0.00 C ATOM 1069 C PRO A 68 0.366 7.766 0.715 1.00 0.00 C ATOM 1070 O PRO A 68 0.574 8.964 0.745 1.00 0.00 O ATOM 1071 CB PRO A 68 2.345 6.318 0.099 1.00 0.00 C ATOM 1072 CG PRO A 68 1.780 5.002 -0.331 1.00 0.00 C ATOM 1073 CD PRO A 68 1.051 4.402 0.847 1.00 0.00 C ATOM 0 HA PRO A 68 1.969 7.350 2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.350 7.033 -0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.376 6.213 0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.100 5.135 -1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.576 4.337 -0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.095 3.972 0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.630 3.601 1.307 1.00 0.00 H new ATOM 1081 N ILE A 69 -0.766 7.294 0.231 1.00 0.00 N ATOM 1082 CA ILE A 69 -1.802 8.258 -0.283 1.00 0.00 C ATOM 1083 C ILE A 69 -3.227 7.896 0.213 1.00 0.00 C ATOM 1084 O ILE A 69 -4.178 7.952 -0.542 1.00 0.00 O ATOM 1085 CB ILE A 69 -1.675 8.222 -1.838 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -2.634 7.205 -2.489 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -0.236 7.869 -2.241 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -2.643 5.886 -1.720 1.00 0.00 C ATOM 0 H ILE A 69 -1.014 6.306 0.170 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.634 9.267 0.094 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.943 9.216 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.642 7.619 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.333 7.026 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.158 7.846 -3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.448 8.619 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.025 6.890 -1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.328 5.188 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.639 5.462 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.969 6.065 -0.695 1.00 0.00 H new ATOM 1100 N PRO A 70 -3.343 7.563 1.485 1.00 0.00 N ATOM 1101 CA PRO A 70 -4.674 7.215 2.063 1.00 0.00 C ATOM 1102 C PRO A 70 -5.608 8.436 2.059 1.00 0.00 C ATOM 1103 O PRO A 70 -6.805 8.311 2.241 1.00 0.00 O ATOM 1104 CB PRO A 70 -4.345 6.787 3.492 1.00 0.00 C ATOM 1105 CG PRO A 70 -3.050 7.470 3.789 1.00 0.00 C ATOM 1106 CD PRO A 70 -2.280 7.492 2.495 1.00 0.00 C ATOM 0 HA PRO A 70 -5.192 6.440 1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.125 7.092 4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.252 5.704 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.219 8.481 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.497 6.937 4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.610 8.350 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.666 6.599 2.374 1.00 0.00 H new ATOM 1114 N LYS A 71 -5.064 9.608 1.843 1.00 0.00 N ATOM 1115 CA LYS A 71 -5.900 10.847 1.813 1.00 0.00 C ATOM 1116 C LYS A 71 -6.855 10.818 0.609 1.00 0.00 C ATOM 1117 O LYS A 71 -7.995 11.231 0.706 1.00 0.00 O ATOM 1118 CB LYS A 71 -4.902 12.018 1.699 1.00 0.00 C ATOM 1119 CG LYS A 71 -3.935 11.800 0.521 1.00 0.00 C ATOM 1120 CD LYS A 71 -2.488 12.045 0.962 1.00 0.00 C ATOM 1121 CE LYS A 71 -2.087 11.027 2.038 1.00 0.00 C ATOM 1122 NZ LYS A 71 -0.642 11.297 2.292 1.00 0.00 N ATOM 0 H LYS A 71 -4.068 9.760 1.685 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.522 10.941 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.446 12.953 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.337 12.112 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.038 10.784 0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.191 12.473 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.819 11.963 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.384 13.058 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.679 11.154 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.245 10.005 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.456 11.256 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.064 10.582 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.397 12.242 1.933 1.00 0.00 H new ATOM 1136 N GLN A 72 -6.398 10.332 -0.522 1.00 0.00 N ATOM 1137 CA GLN A 72 -7.266 10.271 -1.735 1.00 0.00 C ATOM 1138 C GLN A 72 -6.671 9.282 -2.741 1.00 0.00 C ATOM 1139 O GLN A 72 -5.516 8.920 -2.635 1.00 0.00 O ATOM 1140 CB GLN A 72 -7.274 11.694 -2.335 1.00 0.00 C ATOM 1141 CG GLN A 72 -6.063 12.517 -1.859 1.00 0.00 C ATOM 1142 CD GLN A 72 -4.863 12.305 -2.793 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -4.613 13.119 -3.659 1.00 0.00 O ATOM 1144 NE2 GLN A 72 -4.097 11.247 -2.656 1.00 0.00 N ATOM 0 H GLN A 72 -5.452 9.973 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.276 9.940 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.266 11.631 -3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.195 12.204 -2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.325 13.575 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.796 12.226 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.302 10.560 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.297 11.113 -3.275 1.00 0.00 H new ATOM 1153 N PRO A 73 -7.467 8.888 -3.701 1.00 0.00 N ATOM 1154 CA PRO A 73 -6.978 7.952 -4.739 1.00 0.00 C ATOM 1155 C PRO A 73 -5.871 8.640 -5.551 1.00 0.00 C ATOM 1156 O PRO A 73 -4.793 8.102 -5.713 1.00 0.00 O ATOM 1157 CB PRO A 73 -8.217 7.667 -5.579 1.00 0.00 C ATOM 1158 CG PRO A 73 -9.093 8.857 -5.349 1.00 0.00 C ATOM 1159 CD PRO A 73 -8.869 9.269 -3.919 1.00 0.00 C ATOM 0 HA PRO A 73 -6.543 7.032 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.967 7.554 -6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.707 6.745 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.838 9.667 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.140 8.610 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.028 10.338 -3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.542 8.751 -3.236 1.00 0.00 H new ATOM 1167 N SER A 74 -6.127 9.844 -6.022 1.00 0.00 N ATOM 1168 CA SER A 74 -5.093 10.611 -6.789 1.00 0.00 C ATOM 1169 C SER A 74 -4.432 9.740 -7.866 1.00 0.00 C ATOM 1170 O SER A 74 -3.225 9.750 -8.023 1.00 0.00 O ATOM 1171 CB SER A 74 -4.076 11.033 -5.722 1.00 0.00 C ATOM 1172 OG SER A 74 -3.544 12.308 -6.052 1.00 0.00 O ATOM 0 H SER A 74 -7.017 10.329 -5.905 1.00 0.00 H new ATOM 0 HA SER A 74 -5.520 11.460 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.554 11.069 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.274 10.298 -5.658 1.00 0.00 H new ATOM 0 HG SER A 74 -3.769 12.949 -5.346 1.00 0.00 H new ATOM 1178 N SER A 75 -5.223 8.994 -8.607 1.00 0.00 N ATOM 1179 CA SER A 75 -4.668 8.106 -9.684 1.00 0.00 C ATOM 1180 C SER A 75 -5.749 7.140 -10.194 1.00 0.00 C ATOM 1181 O SER A 75 -5.792 6.806 -11.361 1.00 0.00 O ATOM 1182 CB SER A 75 -3.528 7.317 -9.027 1.00 0.00 C ATOM 1183 OG SER A 75 -2.288 7.702 -9.602 1.00 0.00 O ATOM 0 H SER A 75 -6.238 8.962 -8.510 1.00 0.00 H new ATOM 0 HA SER A 75 -4.321 8.686 -10.539 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.516 7.503 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.687 6.247 -9.163 1.00 0.00 H new ATOM 0 HG SER A 75 -2.041 8.594 -9.279 1.00 0.00 H new ATOM 1189 N GLN A 76 -6.613 6.680 -9.321 1.00 0.00 N ATOM 1190 CA GLN A 76 -7.688 5.724 -9.740 1.00 0.00 C ATOM 1191 C GLN A 76 -8.825 6.450 -10.487 1.00 0.00 C ATOM 1192 O GLN A 76 -9.222 6.018 -11.552 1.00 0.00 O ATOM 1193 CB GLN A 76 -8.209 5.107 -8.438 1.00 0.00 C ATOM 1194 CG GLN A 76 -7.154 4.166 -7.850 1.00 0.00 C ATOM 1195 CD GLN A 76 -6.390 4.880 -6.730 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -6.847 4.933 -5.607 1.00 0.00 O ATOM 1197 NE2 GLN A 76 -5.235 5.429 -6.991 1.00 0.00 N ATOM 0 H GLN A 76 -6.620 6.927 -8.331 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.304 4.971 -10.428 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.447 5.894 -7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.132 4.559 -8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.632 3.267 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.462 3.848 -8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.851 5.384 -7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.717 5.903 -6.251 1.00 0.00 H new ATOM 1206 N PRO A 77 -9.317 7.532 -9.910 1.00 0.00 N ATOM 1207 CA PRO A 77 -10.417 8.298 -10.550 1.00 0.00 C ATOM 1208 C PRO A 77 -9.904 9.078 -11.766 1.00 0.00 C ATOM 1209 O PRO A 77 -10.682 9.613 -12.535 1.00 0.00 O ATOM 1210 CB PRO A 77 -10.870 9.265 -9.458 1.00 0.00 C ATOM 1211 CG PRO A 77 -9.673 9.427 -8.582 1.00 0.00 C ATOM 1212 CD PRO A 77 -8.909 8.132 -8.634 1.00 0.00 C ATOM 0 HA PRO A 77 -11.218 7.654 -10.913 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.186 10.220 -9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.718 8.866 -8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.053 10.254 -8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.972 9.657 -7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.833 8.301 -8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.158 7.487 -7.791 1.00 0.00 H new ATOM 1220 N ARG A 78 -8.606 9.170 -11.935 1.00 0.00 N ATOM 1221 CA ARG A 78 -8.057 9.941 -13.084 1.00 0.00 C ATOM 1222 C ARG A 78 -6.812 9.254 -13.672 1.00 0.00 C ATOM 1223 O ARG A 78 -5.878 9.909 -14.098 1.00 0.00 O ATOM 1224 CB ARG A 78 -7.697 11.300 -12.470 1.00 0.00 C ATOM 1225 CG ARG A 78 -6.533 11.142 -11.483 1.00 0.00 C ATOM 1226 CD ARG A 78 -6.378 12.424 -10.659 1.00 0.00 C ATOM 1227 NE ARG A 78 -5.515 13.304 -11.502 1.00 0.00 N ATOM 1228 CZ ARG A 78 -5.665 14.602 -11.457 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -5.237 15.272 -10.417 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -6.241 15.230 -12.450 1.00 0.00 N ATOM 0 H ARG A 78 -7.908 8.744 -11.325 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.763 10.023 -13.910 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.423 12.002 -13.257 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.564 11.717 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.715 10.294 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.610 10.932 -12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.344 12.888 -10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.916 12.222 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.809 12.893 -12.113 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.788 14.781 -9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.353 16.285 -10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.573 14.707 -13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.358 16.243 -12.414 1.00 0.00 H new ATOM 1244 N GLY A 79 -6.789 7.944 -13.706 1.00 0.00 N ATOM 1245 CA GLY A 79 -5.602 7.232 -14.268 1.00 0.00 C ATOM 1246 C GLY A 79 -5.982 5.800 -14.646 1.00 0.00 C ATOM 1247 O GLY A 79 -6.722 5.573 -15.585 1.00 0.00 O ATOM 0 H GLY A 79 -7.539 7.340 -13.370 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.231 7.762 -15.145 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.794 7.222 -13.537 1.00 0.00 H new ATOM 1251 N ASP A 80 -5.478 4.833 -13.919 1.00 0.00 N ATOM 1252 CA ASP A 80 -5.804 3.409 -14.232 1.00 0.00 C ATOM 1253 C ASP A 80 -7.223 3.073 -13.756 1.00 0.00 C ATOM 1254 O ASP A 80 -7.608 3.441 -12.662 1.00 0.00 O ATOM 1255 CB ASP A 80 -4.769 2.580 -13.461 1.00 0.00 C ATOM 1256 CG ASP A 80 -4.999 1.088 -13.728 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -4.483 0.597 -14.720 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -5.688 0.464 -12.938 1.00 0.00 O ATOM 0 H ASP A 80 -4.855 4.969 -13.123 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.770 3.206 -15.302 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.762 2.863 -13.767 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.847 2.785 -12.393 1.00 0.00 H new ATOM 1263 N PRO A 81 -7.956 2.378 -14.598 1.00 0.00 N ATOM 1264 CA PRO A 81 -9.344 1.985 -14.253 1.00 0.00 C ATOM 1265 C PRO A 81 -9.331 0.898 -13.168 1.00 0.00 C ATOM 1266 O PRO A 81 -9.359 -0.284 -13.458 1.00 0.00 O ATOM 1267 CB PRO A 81 -9.907 1.445 -15.566 1.00 0.00 C ATOM 1268 CG PRO A 81 -8.701 0.998 -16.333 1.00 0.00 C ATOM 1269 CD PRO A 81 -7.564 1.903 -15.934 1.00 0.00 C ATOM 0 HA PRO A 81 -9.938 2.807 -13.855 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.596 0.619 -15.393 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.460 2.213 -16.107 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.464 -0.042 -16.107 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.883 1.057 -17.406 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.615 1.367 -15.907 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.444 2.729 -16.635 1.00 0.00 H new ATOM 1277 N THR A 82 -9.286 1.296 -11.922 1.00 0.00 N ATOM 1278 CA THR A 82 -9.267 0.294 -10.810 1.00 0.00 C ATOM 1279 C THR A 82 -10.610 -0.436 -10.737 1.00 0.00 C ATOM 1280 O THR A 82 -10.668 -1.652 -10.768 1.00 0.00 O ATOM 1281 CB THR A 82 -9.022 1.099 -9.525 1.00 0.00 C ATOM 1282 OG1 THR A 82 -9.772 2.309 -9.563 1.00 0.00 O ATOM 1283 CG2 THR A 82 -7.533 1.424 -9.405 1.00 0.00 C ATOM 0 H THR A 82 -9.262 2.272 -11.625 1.00 0.00 H new ATOM 0 HA THR A 82 -8.496 -0.462 -10.959 1.00 0.00 H new ATOM 0 HB THR A 82 -9.338 0.509 -8.665 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.673 2.147 -9.213 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.358 1.995 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.960 0.497 -9.368 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.218 2.011 -10.268 1.00 0.00 H new ATOM 1291 N GLY A 83 -11.689 0.296 -10.639 1.00 0.00 N ATOM 1292 CA GLY A 83 -13.026 -0.352 -10.562 1.00 0.00 C ATOM 1293 C GLY A 83 -14.102 0.723 -10.371 1.00 0.00 C ATOM 1294 O GLY A 83 -14.555 1.322 -11.327 1.00 0.00 O ATOM 0 H GLY A 83 -11.699 1.316 -10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.220 -0.919 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.052 -1.060 -9.734 1.00 0.00 H new ATOM 1298 N PRO A 84 -14.481 0.921 -9.131 1.00 0.00 N ATOM 1299 CA PRO A 84 -15.513 1.906 -8.772 1.00 0.00 C ATOM 1300 C PRO A 84 -14.890 3.215 -8.247 1.00 0.00 C ATOM 1301 O PRO A 84 -15.592 4.080 -7.758 1.00 0.00 O ATOM 1302 CB PRO A 84 -16.260 1.171 -7.658 1.00 0.00 C ATOM 1303 CG PRO A 84 -15.258 0.181 -7.092 1.00 0.00 C ATOM 1304 CD PRO A 84 -14.005 0.254 -7.934 1.00 0.00 C ATOM 0 HA PRO A 84 -16.140 2.212 -9.610 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.604 1.865 -6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.142 0.661 -8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.033 0.418 -6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.669 -0.828 -7.107 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.214 0.819 -7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.602 -0.735 -8.152 1.00 0.00 H new ATOM 1312 N LYS A 85 -13.589 3.372 -8.347 1.00 0.00 N ATOM 1313 CA LYS A 85 -12.948 4.633 -7.854 1.00 0.00 C ATOM 1314 C LYS A 85 -12.939 5.699 -8.962 1.00 0.00 C ATOM 1315 O LYS A 85 -12.406 6.777 -8.782 1.00 0.00 O ATOM 1316 CB LYS A 85 -11.508 4.248 -7.484 1.00 0.00 C ATOM 1317 CG LYS A 85 -11.498 3.097 -6.466 1.00 0.00 C ATOM 1318 CD LYS A 85 -12.297 3.486 -5.218 1.00 0.00 C ATOM 1319 CE LYS A 85 -11.592 4.634 -4.485 1.00 0.00 C ATOM 1320 NZ LYS A 85 -12.529 4.998 -3.382 1.00 0.00 N ATOM 0 H LYS A 85 -12.948 2.686 -8.746 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.489 5.052 -7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.964 3.952 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.991 5.113 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.926 2.201 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.472 2.856 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.306 3.788 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -12.396 2.626 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.623 4.322 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.412 5.479 -5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.125 5.779 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.441 5.295 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.675 4.174 -2.765 1.00 0.00 H new ATOM 1334 N GLU A 86 -13.524 5.409 -10.103 1.00 0.00 N ATOM 1335 CA GLU A 86 -13.546 6.403 -11.219 1.00 0.00 C ATOM 1336 C GLU A 86 -14.580 7.501 -10.933 1.00 0.00 C ATOM 1337 O GLU A 86 -15.751 7.176 -10.809 1.00 0.00 O ATOM 1338 CB GLU A 86 -13.934 5.599 -12.465 1.00 0.00 C ATOM 1339 CG GLU A 86 -12.857 4.547 -12.747 1.00 0.00 C ATOM 1340 CD GLU A 86 -13.162 3.832 -14.068 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -13.976 2.922 -14.053 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -12.575 4.203 -15.070 1.00 0.00 O ATOM 1343 OXT GLU A 86 -14.178 8.651 -10.839 1.00 0.00 O ATOM 0 H GLU A 86 -13.987 4.523 -10.306 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.585 6.903 -11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.899 5.116 -12.314 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.041 6.264 -13.322 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.877 5.021 -12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.820 3.824 -11.932 1.00 0.00 H new