USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 45 SER OG : rot -103:sc= -0.148 USER MOD Set 1.2: A 48 THR OG1 : rot 172:sc= -3.07! USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0294 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.914 K(o=-0.91,f=-1.9!) USER MOD Single : A 7 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -4.95! C(o=-5!,f=-6.6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 6:sc= 1.8 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ -102:sc= -0.0906 (180deg=-0.252) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 36 GLN : amide:sc= -1.41! X(o=-1.4!,f=-1.1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0321 K(o=-0.032,f=-1.8!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 57 ASN : amide:sc= -1.82 K(o=-1.8,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.03 K(o=-0.03,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.319 8.699 11.048 1.00 0.00 N ATOM 2 CA GLY A 1 -7.797 7.900 12.211 1.00 0.00 C ATOM 3 C GLY A 1 -7.259 8.512 13.506 1.00 0.00 C ATOM 4 O GLY A 1 -7.136 9.714 13.631 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.127 8.948 10.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.861 9.568 11.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.635 8.139 10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.887 7.882 12.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.463 6.867 12.118 1.00 0.00 H new ATOM 10 N SER A 2 -6.936 7.695 14.470 1.00 0.00 N ATOM 11 CA SER A 2 -6.406 8.232 15.757 1.00 0.00 C ATOM 12 C SER A 2 -4.877 8.153 15.772 1.00 0.00 C ATOM 13 O SER A 2 -4.303 7.145 15.411 1.00 0.00 O ATOM 14 CB SER A 2 -7.002 7.329 16.837 1.00 0.00 C ATOM 15 OG SER A 2 -7.612 8.130 17.839 1.00 0.00 O ATOM 0 H SER A 2 -7.016 6.679 14.423 1.00 0.00 H new ATOM 0 HA SER A 2 -6.671 9.278 15.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.737 6.655 16.398 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.222 6.707 17.278 1.00 0.00 H new ATOM 0 HG SER A 2 -7.996 7.552 18.531 1.00 0.00 H new ATOM 21 N PRO A 3 -4.269 9.228 16.193 1.00 0.00 N ATOM 22 CA PRO A 3 -2.783 9.245 16.243 1.00 0.00 C ATOM 23 C PRO A 3 -2.266 8.095 17.113 1.00 0.00 C ATOM 24 O PRO A 3 -1.121 7.699 17.017 1.00 0.00 O ATOM 25 CB PRO A 3 -2.450 10.592 16.876 1.00 0.00 C ATOM 26 CG PRO A 3 -3.660 10.949 17.673 1.00 0.00 C ATOM 27 CD PRO A 3 -4.842 10.340 16.967 1.00 0.00 C ATOM 0 HA PRO A 3 -2.325 9.120 15.262 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.565 10.523 17.509 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.241 11.345 16.116 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.579 10.567 18.691 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -3.769 12.031 17.746 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.591 9.987 17.676 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.334 11.064 16.318 1.00 0.00 H new ATOM 35 N LEU A 4 -3.100 7.557 17.960 1.00 0.00 N ATOM 36 CA LEU A 4 -2.654 6.434 18.834 1.00 0.00 C ATOM 37 C LEU A 4 -3.020 5.091 18.198 1.00 0.00 C ATOM 38 O LEU A 4 -4.148 4.865 17.807 1.00 0.00 O ATOM 39 CB LEU A 4 -3.412 6.630 20.147 1.00 0.00 C ATOM 40 CG LEU A 4 -2.836 5.694 21.213 1.00 0.00 C ATOM 41 CD1 LEU A 4 -3.211 4.249 20.879 1.00 0.00 C ATOM 42 CD2 LEU A 4 -1.312 5.833 21.243 1.00 0.00 C ATOM 0 H LEU A 4 -4.070 7.846 18.085 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.574 6.430 18.983 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.331 7.666 20.475 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.472 6.424 20.001 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.244 5.958 22.189 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.801 3.582 21.638 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.296 4.150 20.857 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.803 3.983 19.904 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.901 5.167 22.002 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.903 5.568 20.268 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.045 6.863 21.481 1.00 0.00 H new ATOM 54 N GLN A 5 -2.074 4.197 18.091 1.00 0.00 N ATOM 55 CA GLN A 5 -2.369 2.869 17.480 1.00 0.00 C ATOM 56 C GLN A 5 -2.403 1.785 18.561 1.00 0.00 C ATOM 57 O GLN A 5 -1.426 1.544 19.243 1.00 0.00 O ATOM 58 CB GLN A 5 -1.220 2.619 16.504 1.00 0.00 C ATOM 59 CG GLN A 5 -1.491 1.336 15.715 1.00 0.00 C ATOM 60 CD GLN A 5 -0.350 1.096 14.724 1.00 0.00 C ATOM 61 OE1 GLN A 5 0.502 1.943 14.543 1.00 0.00 O ATOM 62 NE2 GLN A 5 -0.298 -0.032 14.070 1.00 0.00 N ATOM 0 H GLN A 5 -1.111 4.329 18.400 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.338 2.849 16.982 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.118 3.463 15.822 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.279 2.532 17.048 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.580 0.489 16.396 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.439 1.417 15.182 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.013 -0.743 14.222 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.458 -0.203 13.407 1.00 0.00 H new ATOM 71 N ASP A 6 -3.520 1.130 18.723 1.00 0.00 N ATOM 72 CA ASP A 6 -3.615 0.062 19.759 1.00 0.00 C ATOM 73 C ASP A 6 -3.475 -1.318 19.111 1.00 0.00 C ATOM 74 O ASP A 6 -3.763 -2.331 19.717 1.00 0.00 O ATOM 75 CB ASP A 6 -5.006 0.229 20.373 1.00 0.00 C ATOM 76 CG ASP A 6 -6.063 0.144 19.270 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.688 -0.104 18.135 1.00 0.00 O ATOM 78 OD2 ASP A 6 -7.229 0.327 19.579 1.00 0.00 O ATOM 0 H ASP A 6 -4.371 1.288 18.183 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.827 0.141 20.508 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.181 -0.545 21.120 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.076 1.188 20.886 1.00 0.00 H new ATOM 83 N ASN A 7 -3.037 -1.365 17.883 1.00 0.00 N ATOM 84 CA ASN A 7 -2.880 -2.680 17.198 1.00 0.00 C ATOM 85 C ASN A 7 -1.530 -3.306 17.556 1.00 0.00 C ATOM 86 O ASN A 7 -1.120 -4.293 16.978 1.00 0.00 O ATOM 87 CB ASN A 7 -2.943 -2.358 15.705 1.00 0.00 C ATOM 88 CG ASN A 7 -4.390 -2.054 15.311 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.671 -1.020 14.737 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.326 -2.916 15.597 1.00 0.00 N ATOM 0 H ASN A 7 -2.781 -0.551 17.324 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.648 -3.394 17.494 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.306 -1.503 15.479 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.565 -3.199 15.124 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.294 -2.722 15.339 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.090 -3.784 16.079 1.00 0.00 H new ATOM 97 N LEU A 8 -0.835 -2.741 18.505 1.00 0.00 N ATOM 98 CA LEU A 8 0.487 -3.307 18.898 1.00 0.00 C ATOM 99 C LEU A 8 0.315 -4.302 20.049 1.00 0.00 C ATOM 100 O LEU A 8 -0.581 -4.178 20.860 1.00 0.00 O ATOM 101 CB LEU A 8 1.315 -2.104 19.350 1.00 0.00 C ATOM 102 CG LEU A 8 1.553 -1.172 18.161 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.314 -0.303 17.938 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.760 -0.276 18.448 1.00 0.00 C ATOM 0 H LEU A 8 -1.125 -1.913 19.025 1.00 0.00 H new ATOM 0 HA LEU A 8 0.964 -3.846 18.080 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.796 -1.570 20.146 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.268 -2.438 19.760 1.00 0.00 H new ATOM 0 HG LEU A 8 1.746 -1.766 17.267 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.483 0.361 17.091 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.546 -0.941 17.733 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.120 0.291 18.831 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.930 0.388 17.601 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.568 0.318 19.342 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.643 -0.895 18.606 1.00 0.00 H new ATOM 116 N VAL A 9 1.166 -5.289 20.127 1.00 0.00 N ATOM 117 CA VAL A 9 1.047 -6.288 21.227 1.00 0.00 C ATOM 118 C VAL A 9 2.431 -6.804 21.628 1.00 0.00 C ATOM 119 O VAL A 9 3.412 -6.569 20.951 1.00 0.00 O ATOM 120 CB VAL A 9 0.202 -7.422 20.645 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.228 -6.930 20.417 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.804 -7.876 19.313 1.00 0.00 C ATOM 0 H VAL A 9 1.937 -5.447 19.478 1.00 0.00 H new ATOM 0 HA VAL A 9 0.596 -5.861 22.123 1.00 0.00 H new ATOM 0 HB VAL A 9 0.190 -8.259 21.343 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.829 -7.739 20.002 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.658 -6.608 21.366 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.218 -6.092 19.720 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.202 -8.684 18.898 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.817 -7.039 18.615 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.822 -8.229 19.475 1.00 0.00 H new ATOM 132 N ILE A 10 2.513 -7.513 22.720 1.00 0.00 N ATOM 133 CA ILE A 10 3.830 -8.054 23.162 1.00 0.00 C ATOM 134 C ILE A 10 3.826 -9.579 23.044 1.00 0.00 C ATOM 135 O ILE A 10 2.817 -10.223 23.252 1.00 0.00 O ATOM 136 CB ILE A 10 3.966 -7.628 24.624 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.890 -6.103 24.722 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.311 -8.107 25.172 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.844 -5.687 26.194 1.00 0.00 C ATOM 0 H ILE A 10 1.725 -7.741 23.326 1.00 0.00 H new ATOM 0 HA ILE A 10 4.658 -7.685 22.557 1.00 0.00 H new ATOM 0 HB ILE A 10 3.158 -8.070 25.207 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.754 -5.653 24.233 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.004 -5.738 24.202 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.408 -7.803 26.214 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.365 -9.194 25.104 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.119 -7.666 24.589 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.790 -4.601 26.264 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.966 -6.125 26.669 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.743 -6.039 26.700 1.00 0.00 H new ATOM 151 N ALA A 11 4.941 -10.165 22.707 1.00 0.00 N ATOM 152 CA ALA A 11 4.985 -11.648 22.574 1.00 0.00 C ATOM 153 C ALA A 11 5.052 -12.305 23.955 1.00 0.00 C ATOM 154 O ALA A 11 6.016 -12.156 24.677 1.00 0.00 O ATOM 155 CB ALA A 11 6.258 -11.937 21.779 1.00 0.00 C ATOM 0 H ALA A 11 5.820 -9.684 22.519 1.00 0.00 H new ATOM 0 HA ALA A 11 4.097 -12.043 22.080 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.363 -13.013 21.638 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.199 -11.448 20.807 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.122 -11.557 22.324 1.00 0.00 H new ATOM 161 N LEU A 12 4.039 -13.039 24.326 1.00 0.00 N ATOM 162 CA LEU A 12 4.059 -13.711 25.656 1.00 0.00 C ATOM 163 C LEU A 12 5.070 -14.858 25.630 1.00 0.00 C ATOM 164 O LEU A 12 5.627 -15.238 26.641 1.00 0.00 O ATOM 165 CB LEU A 12 2.640 -14.244 25.856 1.00 0.00 C ATOM 166 CG LEU A 12 2.528 -14.894 27.237 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.596 -13.812 28.317 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.196 -15.638 27.344 1.00 0.00 C ATOM 0 H LEU A 12 3.201 -13.202 23.768 1.00 0.00 H new ATOM 0 HA LEU A 12 4.350 -13.039 26.464 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.919 -13.432 25.765 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.401 -14.971 25.080 1.00 0.00 H new ATOM 0 HG LEU A 12 3.349 -15.597 27.375 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.516 -14.274 29.301 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.545 -13.281 28.241 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.775 -13.108 28.179 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.116 -16.101 28.327 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.374 -14.935 27.206 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.147 -16.409 26.575 1.00 0.00 H new ATOM 180 N HIS A 13 5.310 -15.409 24.472 1.00 0.00 N ATOM 181 CA HIS A 13 6.285 -16.531 24.357 1.00 0.00 C ATOM 182 C HIS A 13 6.788 -16.632 22.914 1.00 0.00 C ATOM 183 O HIS A 13 6.081 -16.313 21.981 1.00 0.00 O ATOM 184 CB HIS A 13 5.491 -17.778 24.738 1.00 0.00 C ATOM 185 CG HIS A 13 5.374 -17.861 26.236 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.183 -17.609 26.899 1.00 0.00 N ATOM 187 CD2 HIS A 13 6.290 -18.166 27.212 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.412 -17.765 28.216 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.680 -18.105 28.462 1.00 0.00 N ATOM 0 H HIS A 13 4.870 -15.129 23.595 1.00 0.00 H new ATOM 0 HA HIS A 13 7.160 -16.396 24.994 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.499 -17.743 24.287 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.986 -18.669 24.351 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.326 -18.415 27.037 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.662 -17.631 28.981 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.109 -18.282 29.370 1.00 0.00 H new ATOM 197 N SER A 14 8.000 -17.074 22.719 1.00 0.00 N ATOM 198 CA SER A 14 8.530 -17.190 21.329 1.00 0.00 C ATOM 199 C SER A 14 7.687 -18.184 20.526 1.00 0.00 C ATOM 200 O SER A 14 7.259 -19.200 21.037 1.00 0.00 O ATOM 201 CB SER A 14 9.959 -17.707 21.493 1.00 0.00 C ATOM 202 OG SER A 14 9.928 -19.094 21.799 1.00 0.00 O ATOM 0 H SER A 14 8.644 -17.359 23.457 1.00 0.00 H new ATOM 0 HA SER A 14 8.500 -16.241 20.793 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.526 -17.538 20.577 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.466 -17.160 22.287 1.00 0.00 H new ATOM 0 HG SER A 14 10.844 -19.427 21.903 1.00 0.00 H new ATOM 208 N TYR A 15 7.442 -17.904 19.273 1.00 0.00 N ATOM 209 CA TYR A 15 6.625 -18.845 18.453 1.00 0.00 C ATOM 210 C TYR A 15 7.527 -19.670 17.529 1.00 0.00 C ATOM 211 O TYR A 15 8.681 -19.349 17.323 1.00 0.00 O ATOM 212 CB TYR A 15 5.687 -17.952 17.642 1.00 0.00 C ATOM 213 CG TYR A 15 4.785 -18.811 16.790 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.602 -19.329 17.329 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.132 -19.093 15.464 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.765 -20.128 16.543 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.294 -19.892 14.676 1.00 0.00 C ATOM 218 CZ TYR A 15 3.111 -20.410 15.216 1.00 0.00 C ATOM 219 OH TYR A 15 2.286 -21.199 14.440 1.00 0.00 O ATOM 0 H TYR A 15 7.770 -17.070 18.785 1.00 0.00 H new ATOM 0 HA TYR A 15 6.075 -19.557 19.068 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.090 -17.331 18.311 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.265 -17.277 17.012 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.335 -19.112 18.353 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.046 -18.695 15.048 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.852 -20.527 16.960 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.560 -20.108 13.652 1.00 0.00 H new ATOM 0 HH TYR A 15 1.464 -21.398 14.935 1.00 0.00 H new ATOM 229 N GLU A 16 7.009 -20.732 16.973 1.00 0.00 N ATOM 230 CA GLU A 16 7.835 -21.580 16.064 1.00 0.00 C ATOM 231 C GLU A 16 7.295 -21.504 14.633 1.00 0.00 C ATOM 232 O GLU A 16 6.115 -21.682 14.403 1.00 0.00 O ATOM 233 CB GLU A 16 7.697 -23.001 16.613 1.00 0.00 C ATOM 234 CG GLU A 16 8.411 -23.096 17.963 1.00 0.00 C ATOM 235 CD GLU A 16 7.908 -24.326 18.721 1.00 0.00 C ATOM 236 OE1 GLU A 16 7.859 -25.387 18.121 1.00 0.00 O ATOM 237 OE2 GLU A 16 7.582 -24.185 19.888 1.00 0.00 O ATOM 0 H GLU A 16 6.049 -21.050 17.109 1.00 0.00 H new ATOM 0 HA GLU A 16 8.875 -21.255 16.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.644 -23.258 16.727 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.125 -23.717 15.911 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.488 -23.164 17.813 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.227 -22.195 18.548 1.00 0.00 H new ATOM 244 N PRO A 17 8.185 -21.237 13.716 1.00 0.00 N ATOM 245 CA PRO A 17 7.753 -21.138 12.298 1.00 0.00 C ATOM 246 C PRO A 17 7.727 -22.524 11.647 1.00 0.00 C ATOM 247 O PRO A 17 8.698 -22.963 11.065 1.00 0.00 O ATOM 248 CB PRO A 17 8.816 -20.261 11.649 1.00 0.00 C ATOM 249 CG PRO A 17 10.034 -20.436 12.496 1.00 0.00 C ATOM 250 CD PRO A 17 9.566 -20.764 13.890 1.00 0.00 C ATOM 0 HA PRO A 17 6.748 -20.729 12.191 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.004 -20.566 10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.502 -19.217 11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.663 -21.235 12.104 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.636 -19.527 12.496 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.192 -21.529 14.349 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.606 -19.888 14.538 1.00 0.00 H new ATOM 258 N SER A 18 6.624 -23.215 11.739 1.00 0.00 N ATOM 259 CA SER A 18 6.542 -24.570 11.121 1.00 0.00 C ATOM 260 C SER A 18 6.296 -24.447 9.616 1.00 0.00 C ATOM 261 O SER A 18 6.321 -25.421 8.890 1.00 0.00 O ATOM 262 CB SER A 18 5.354 -25.247 11.805 1.00 0.00 C ATOM 263 OG SER A 18 5.578 -25.293 13.207 1.00 0.00 O ATOM 0 H SER A 18 5.778 -22.901 12.214 1.00 0.00 H new ATOM 0 HA SER A 18 7.463 -25.139 11.248 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.436 -24.699 11.590 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.222 -26.256 11.414 1.00 0.00 H new ATOM 0 HG SER A 18 4.816 -25.725 13.646 1.00 0.00 H new ATOM 269 N HIS A 19 6.060 -23.254 9.142 1.00 0.00 N ATOM 270 CA HIS A 19 5.814 -23.065 7.683 1.00 0.00 C ATOM 271 C HIS A 19 6.734 -21.971 7.134 1.00 0.00 C ATOM 272 O HIS A 19 7.786 -21.702 7.679 1.00 0.00 O ATOM 273 CB HIS A 19 4.350 -22.638 7.580 1.00 0.00 C ATOM 274 CG HIS A 19 3.473 -23.715 8.157 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.701 -25.061 7.919 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.364 -23.660 8.965 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.750 -25.755 8.571 1.00 0.00 C ATOM 278 NE2 HIS A 19 1.909 -24.949 9.225 1.00 0.00 N ATOM 0 H HIS A 19 6.027 -22.402 9.702 1.00 0.00 H new ATOM 0 HA HIS A 19 6.014 -23.969 7.107 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.194 -21.701 8.116 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.085 -22.457 6.538 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.913 -22.754 9.342 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.676 -26.832 8.566 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.106 -25.220 9.793 1.00 0.00 H new ATOM 286 N ASP A 20 6.347 -21.339 6.060 1.00 0.00 N ATOM 287 CA ASP A 20 7.203 -20.264 5.481 1.00 0.00 C ATOM 288 C ASP A 20 6.519 -18.902 5.632 1.00 0.00 C ATOM 289 O ASP A 20 7.080 -17.876 5.302 1.00 0.00 O ATOM 290 CB ASP A 20 7.352 -20.629 4.003 1.00 0.00 C ATOM 291 CG ASP A 20 8.015 -22.002 3.881 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.599 -22.445 4.856 1.00 0.00 O ATOM 293 OD2 ASP A 20 7.929 -22.587 2.814 1.00 0.00 O ATOM 0 H ASP A 20 5.477 -21.520 5.559 1.00 0.00 H new ATOM 0 HA ASP A 20 8.168 -20.191 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.375 -20.641 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.952 -19.877 3.490 1.00 0.00 H new ATOM 298 N GLY A 21 5.312 -18.885 6.128 1.00 0.00 N ATOM 299 CA GLY A 21 4.597 -17.589 6.298 1.00 0.00 C ATOM 300 C GLY A 21 4.306 -17.355 7.783 1.00 0.00 C ATOM 301 O GLY A 21 3.641 -16.408 8.152 1.00 0.00 O ATOM 0 H GLY A 21 4.791 -19.711 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.202 -16.773 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.666 -17.599 5.731 1.00 0.00 H new ATOM 305 N ASP A 22 4.797 -18.210 8.638 1.00 0.00 N ATOM 306 CA ASP A 22 4.545 -18.032 10.097 1.00 0.00 C ATOM 307 C ASP A 22 5.677 -17.221 10.735 1.00 0.00 C ATOM 308 O ASP A 22 6.766 -17.131 10.204 1.00 0.00 O ATOM 309 CB ASP A 22 4.513 -19.450 10.668 1.00 0.00 C ATOM 310 CG ASP A 22 3.264 -20.176 10.163 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.407 -19.516 9.598 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.185 -21.379 10.350 1.00 0.00 O ATOM 0 H ASP A 22 5.361 -19.023 8.390 1.00 0.00 H new ATOM 0 HA ASP A 22 3.619 -17.492 10.294 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.409 -19.994 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.511 -19.415 11.757 1.00 0.00 H new ATOM 317 N LEU A 23 5.427 -16.630 11.872 1.00 0.00 N ATOM 318 CA LEU A 23 6.488 -15.826 12.545 1.00 0.00 C ATOM 319 C LEU A 23 6.846 -16.452 13.896 1.00 0.00 C ATOM 320 O LEU A 23 6.004 -16.624 14.753 1.00 0.00 O ATOM 321 CB LEU A 23 5.868 -14.442 12.741 1.00 0.00 C ATOM 322 CG LEU A 23 6.933 -13.477 13.267 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.090 -13.402 12.269 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.320 -12.087 13.442 1.00 0.00 C ATOM 0 H LEU A 23 4.534 -16.669 12.364 1.00 0.00 H new ATOM 0 HA LEU A 23 7.408 -15.782 11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.464 -14.076 11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.036 -14.500 13.443 1.00 0.00 H new ATOM 0 HG LEU A 23 7.304 -13.834 14.228 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.849 -12.715 12.643 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.527 -14.393 12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.719 -13.045 11.308 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.078 -11.399 13.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.949 -11.729 12.482 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.495 -12.140 14.153 1.00 0.00 H new ATOM 336 N GLY A 24 8.091 -16.795 14.090 1.00 0.00 N ATOM 337 CA GLY A 24 8.502 -17.413 15.384 1.00 0.00 C ATOM 338 C GLY A 24 9.137 -16.352 16.284 1.00 0.00 C ATOM 339 O GLY A 24 10.193 -16.556 16.849 1.00 0.00 O ATOM 0 H GLY A 24 8.841 -16.674 13.409 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.636 -17.853 15.879 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.210 -18.221 15.203 1.00 0.00 H new ATOM 343 N PHE A 25 8.507 -15.218 16.419 1.00 0.00 N ATOM 344 CA PHE A 25 9.076 -14.139 17.277 1.00 0.00 C ATOM 345 C PHE A 25 9.564 -14.706 18.613 1.00 0.00 C ATOM 346 O PHE A 25 9.332 -15.854 18.936 1.00 0.00 O ATOM 347 CB PHE A 25 7.922 -13.155 17.496 1.00 0.00 C ATOM 348 CG PHE A 25 6.700 -13.885 18.012 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.779 -14.439 17.114 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.485 -14.000 19.391 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.645 -15.106 17.593 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.350 -14.667 19.869 1.00 0.00 C ATOM 353 CZ PHE A 25 4.431 -15.219 18.970 1.00 0.00 C ATOM 0 H PHE A 25 7.619 -14.991 15.971 1.00 0.00 H new ATOM 0 HA PHE A 25 9.938 -13.662 16.812 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.221 -12.385 18.207 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.684 -12.649 16.560 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.944 -14.352 16.050 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.194 -13.575 20.086 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.936 -15.533 16.899 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.184 -14.755 20.933 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.556 -15.733 19.340 1.00 0.00 H new ATOM 363 N GLU A 26 10.246 -13.905 19.388 1.00 0.00 N ATOM 364 CA GLU A 26 10.759 -14.389 20.703 1.00 0.00 C ATOM 365 C GLU A 26 9.828 -13.947 21.836 1.00 0.00 C ATOM 366 O GLU A 26 8.863 -13.237 21.623 1.00 0.00 O ATOM 367 CB GLU A 26 12.133 -13.736 20.854 1.00 0.00 C ATOM 368 CG GLU A 26 13.051 -14.217 19.729 1.00 0.00 C ATOM 369 CD GLU A 26 14.448 -13.624 19.923 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.595 -12.776 20.788 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.347 -14.027 19.204 1.00 0.00 O ATOM 0 H GLU A 26 10.470 -12.935 19.167 1.00 0.00 H new ATOM 0 HA GLU A 26 10.814 -15.477 20.748 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.038 -12.651 20.821 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.564 -13.989 21.823 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.103 -15.306 19.728 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.648 -13.916 18.762 1.00 0.00 H new ATOM 378 N LYS A 27 10.117 -14.353 23.042 1.00 0.00 N ATOM 379 CA LYS A 27 9.254 -13.954 24.191 1.00 0.00 C ATOM 380 C LYS A 27 9.450 -12.471 24.510 1.00 0.00 C ATOM 381 O LYS A 27 10.547 -12.021 24.774 1.00 0.00 O ATOM 382 CB LYS A 27 9.726 -14.820 25.360 1.00 0.00 C ATOM 383 CG LYS A 27 8.949 -14.439 26.621 1.00 0.00 C ATOM 384 CD LYS A 27 9.070 -15.562 27.654 1.00 0.00 C ATOM 385 CE LYS A 27 10.432 -15.474 28.345 1.00 0.00 C ATOM 386 NZ LYS A 27 11.263 -16.519 27.683 1.00 0.00 N ATOM 0 H LYS A 27 10.913 -14.944 23.282 1.00 0.00 H new ATOM 0 HA LYS A 27 8.194 -14.096 23.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.574 -15.875 25.130 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.795 -14.680 25.522 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.338 -13.508 27.033 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.901 -14.266 26.377 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.271 -15.481 28.391 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.959 -16.531 27.168 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.873 -14.484 28.226 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.345 -15.658 29.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.325 -17.355 28.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.827 -16.788 26.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.218 -16.145 27.509 1.00 0.00 H new ATOM 400 N GLY A 28 8.393 -11.709 24.487 1.00 0.00 N ATOM 401 CA GLY A 28 8.514 -10.256 24.789 1.00 0.00 C ATOM 402 C GLY A 28 8.708 -9.481 23.486 1.00 0.00 C ATOM 403 O GLY A 28 8.676 -8.267 23.465 1.00 0.00 O ATOM 0 H GLY A 28 7.449 -12.030 24.272 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.620 -9.905 25.304 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.357 -10.081 25.458 1.00 0.00 H new ATOM 407 N GLU A 29 8.914 -10.170 22.396 1.00 0.00 N ATOM 408 CA GLU A 29 9.113 -9.461 21.100 1.00 0.00 C ATOM 409 C GLU A 29 7.868 -8.641 20.752 1.00 0.00 C ATOM 410 O GLU A 29 6.751 -9.094 20.909 1.00 0.00 O ATOM 411 CB GLU A 29 9.335 -10.568 20.068 1.00 0.00 C ATOM 412 CG GLU A 29 9.937 -9.964 18.797 1.00 0.00 C ATOM 413 CD GLU A 29 10.054 -11.046 17.722 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.873 -11.935 17.891 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.324 -10.967 16.748 1.00 0.00 O ATOM 0 H GLU A 29 8.953 -11.188 22.347 1.00 0.00 H new ATOM 0 HA GLU A 29 9.952 -8.766 21.134 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.001 -11.330 20.473 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.390 -11.061 19.838 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.311 -9.147 18.439 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.919 -9.543 19.012 1.00 0.00 H new ATOM 422 N GLN A 30 8.050 -7.438 20.282 1.00 0.00 N ATOM 423 CA GLN A 30 6.875 -6.593 19.926 1.00 0.00 C ATOM 424 C GLN A 30 6.330 -7.006 18.557 1.00 0.00 C ATOM 425 O GLN A 30 7.053 -7.068 17.583 1.00 0.00 O ATOM 426 CB GLN A 30 7.412 -5.162 19.882 1.00 0.00 C ATOM 427 CG GLN A 30 7.877 -4.747 21.279 1.00 0.00 C ATOM 428 CD GLN A 30 8.375 -3.300 21.241 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.460 -2.703 20.186 1.00 0.00 O ATOM 430 NE2 GLN A 30 8.709 -2.707 22.354 1.00 0.00 N ATOM 0 H GLN A 30 8.960 -7.004 20.129 1.00 0.00 H new ATOM 0 HA GLN A 30 6.058 -6.696 20.640 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.240 -5.095 19.177 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.637 -4.482 19.529 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.057 -4.842 21.990 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.673 -5.408 21.620 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.638 -3.208 23.240 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.041 -1.743 22.338 1.00 0.00 H new ATOM 439 N LEU A 31 5.060 -7.293 18.476 1.00 0.00 N ATOM 440 CA LEU A 31 4.473 -7.706 17.169 1.00 0.00 C ATOM 441 C LEU A 31 3.267 -6.831 16.824 1.00 0.00 C ATOM 442 O LEU A 31 2.519 -6.417 17.688 1.00 0.00 O ATOM 443 CB LEU A 31 4.038 -9.157 17.375 1.00 0.00 C ATOM 444 CG LEU A 31 5.193 -10.093 17.012 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.376 -9.829 17.945 1.00 0.00 C ATOM 446 CD2 LEU A 31 4.738 -11.546 17.164 1.00 0.00 C ATOM 0 H LEU A 31 4.404 -7.260 19.256 1.00 0.00 H new ATOM 0 HA LEU A 31 5.183 -7.601 16.348 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.740 -9.315 18.412 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.168 -9.378 16.756 1.00 0.00 H new ATOM 0 HG LEU A 31 5.497 -9.913 15.981 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.199 -10.496 17.687 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.700 -8.794 17.838 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.073 -10.009 18.976 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.560 -12.214 16.906 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.435 -11.726 18.195 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.895 -11.735 16.499 1.00 0.00 H new ATOM 458 N ARG A 32 3.069 -6.551 15.565 1.00 0.00 N ATOM 459 CA ARG A 32 1.908 -5.708 15.161 1.00 0.00 C ATOM 460 C ARG A 32 0.805 -6.591 14.573 1.00 0.00 C ATOM 461 O ARG A 32 1.069 -7.522 13.839 1.00 0.00 O ATOM 462 CB ARG A 32 2.460 -4.758 14.098 1.00 0.00 C ATOM 463 CG ARG A 32 1.300 -4.116 13.335 1.00 0.00 C ATOM 464 CD ARG A 32 1.848 -3.084 12.348 1.00 0.00 C ATOM 465 NE ARG A 32 0.665 -2.270 11.953 1.00 0.00 N ATOM 466 CZ ARG A 32 0.535 -1.863 10.720 1.00 0.00 C ATOM 467 NH1 ARG A 32 1.579 -1.800 9.940 1.00 0.00 N ATOM 468 NH2 ARG A 32 -0.640 -1.518 10.268 1.00 0.00 N ATOM 0 H ARG A 32 3.661 -6.870 14.798 1.00 0.00 H new ATOM 0 HA ARG A 32 1.473 -5.167 16.001 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.072 -3.987 14.567 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.106 -5.302 13.409 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.734 -4.880 12.802 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.612 -3.638 14.033 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.618 -2.465 12.809 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.303 -3.567 11.483 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.044 -2.031 12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.497 -2.069 10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.477 -1.482 8.976 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.456 -1.567 10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.742 -1.200 9.304 1.00 0.00 H new ATOM 482 N ILE A 33 -0.429 -6.310 14.889 1.00 0.00 N ATOM 483 CA ILE A 33 -1.542 -7.140 14.346 1.00 0.00 C ATOM 484 C ILE A 33 -1.989 -6.602 12.984 1.00 0.00 C ATOM 485 O ILE A 33 -2.239 -5.425 12.822 1.00 0.00 O ATOM 486 CB ILE A 33 -2.670 -7.011 15.370 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.101 -7.174 16.781 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.716 -8.098 15.115 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.240 -7.116 17.800 1.00 0.00 C ATOM 0 H ILE A 33 -0.715 -5.544 15.498 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.246 -8.178 14.195 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.134 -6.029 15.277 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.573 -8.124 16.864 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.376 -6.387 16.985 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.521 -8.007 15.845 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.123 -7.983 14.110 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.251 -9.079 15.208 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.835 -7.232 18.805 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.749 -6.155 17.723 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.949 -7.919 17.599 1.00 0.00 H new ATOM 501 N LEU A 34 -2.090 -7.458 12.003 1.00 0.00 N ATOM 502 CA LEU A 34 -2.520 -6.996 10.652 1.00 0.00 C ATOM 503 C LEU A 34 -3.838 -7.667 10.259 1.00 0.00 C ATOM 504 O LEU A 34 -4.641 -7.107 9.539 1.00 0.00 O ATOM 505 CB LEU A 34 -1.396 -7.429 9.710 1.00 0.00 C ATOM 506 CG LEU A 34 -0.081 -6.787 10.156 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.016 -7.114 9.141 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.258 -5.270 10.244 1.00 0.00 C ATOM 0 H LEU A 34 -1.894 -8.456 12.079 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.689 -5.920 10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.302 -8.515 9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.629 -7.132 8.687 1.00 0.00 H new ATOM 0 HG LEU A 34 0.200 -7.177 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.953 -6.657 9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.143 -8.195 9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.735 -6.724 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.679 -4.812 10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.540 -4.879 9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.040 -5.036 10.967 1.00 0.00 H new ATOM 520 N GLU A 35 -4.068 -8.863 10.728 1.00 0.00 N ATOM 521 CA GLU A 35 -5.335 -9.569 10.381 1.00 0.00 C ATOM 522 C GLU A 35 -5.889 -10.297 11.609 1.00 0.00 C ATOM 523 O GLU A 35 -5.151 -10.729 12.472 1.00 0.00 O ATOM 524 CB GLU A 35 -4.945 -10.571 9.294 1.00 0.00 C ATOM 525 CG GLU A 35 -6.199 -11.288 8.788 1.00 0.00 C ATOM 526 CD GLU A 35 -5.795 -12.392 7.809 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.606 -12.569 7.604 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.683 -13.042 7.281 1.00 0.00 O ATOM 0 H GLU A 35 -3.434 -9.382 11.336 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.111 -8.882 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.450 -10.056 8.470 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.234 -11.296 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.750 -11.714 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.864 -10.577 8.297 1.00 0.00 H new ATOM 535 N GLN A 36 -7.184 -10.435 11.694 1.00 0.00 N ATOM 536 CA GLN A 36 -7.785 -11.135 12.867 1.00 0.00 C ATOM 537 C GLN A 36 -8.940 -12.032 12.413 1.00 0.00 C ATOM 538 O GLN A 36 -10.064 -11.880 12.847 1.00 0.00 O ATOM 539 CB GLN A 36 -8.299 -10.017 13.775 1.00 0.00 C ATOM 540 CG GLN A 36 -7.118 -9.184 14.277 1.00 0.00 C ATOM 541 CD GLN A 36 -7.640 -7.960 15.031 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.636 -7.377 14.651 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.006 -7.543 16.093 1.00 0.00 N ATOM 0 H GLN A 36 -7.852 -10.094 11.003 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.067 -11.777 13.377 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.999 -9.384 13.230 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.844 -10.441 14.619 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.487 -9.786 14.931 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.498 -8.870 13.437 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.170 -8.032 16.413 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.347 -6.728 16.603 1.00 0.00 H new ATOM 552 N SER A 37 -8.671 -12.966 11.542 1.00 0.00 N ATOM 553 CA SER A 37 -9.754 -13.871 11.061 1.00 0.00 C ATOM 554 C SER A 37 -9.372 -15.333 11.309 1.00 0.00 C ATOM 555 O SER A 37 -8.289 -15.768 10.970 1.00 0.00 O ATOM 556 CB SER A 37 -9.864 -13.593 9.562 1.00 0.00 C ATOM 557 OG SER A 37 -10.958 -14.323 9.025 1.00 0.00 O ATOM 0 H SER A 37 -7.749 -13.142 11.143 1.00 0.00 H new ATOM 0 HA SER A 37 -10.697 -13.698 11.579 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.004 -12.526 9.388 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.940 -13.879 9.059 1.00 0.00 H new ATOM 0 HG SER A 37 -11.031 -14.144 8.064 1.00 0.00 H new ATOM 563 N GLY A 38 -10.252 -16.094 11.899 1.00 0.00 N ATOM 564 CA GLY A 38 -9.939 -17.525 12.169 1.00 0.00 C ATOM 565 C GLY A 38 -9.236 -17.647 13.522 1.00 0.00 C ATOM 566 O GLY A 38 -9.277 -16.747 14.337 1.00 0.00 O ATOM 0 H GLY A 38 -11.175 -15.786 12.206 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.856 -18.115 12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.303 -17.924 11.379 1.00 0.00 H new ATOM 570 N GLU A 39 -8.589 -18.754 13.767 1.00 0.00 N ATOM 571 CA GLU A 39 -7.882 -18.931 15.068 1.00 0.00 C ATOM 572 C GLU A 39 -6.506 -18.264 15.013 1.00 0.00 C ATOM 573 O GLU A 39 -6.006 -17.764 16.001 1.00 0.00 O ATOM 574 CB GLU A 39 -7.741 -20.444 15.239 1.00 0.00 C ATOM 575 CG GLU A 39 -9.097 -21.111 15.002 1.00 0.00 C ATOM 576 CD GLU A 39 -8.939 -22.631 15.079 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.824 -23.099 14.919 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.935 -23.300 15.298 1.00 0.00 O ATOM 0 H GLU A 39 -8.519 -19.543 13.124 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.422 -18.477 15.899 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.004 -20.833 14.536 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.380 -20.676 16.241 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.816 -20.771 15.747 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.489 -20.825 14.026 1.00 0.00 H new ATOM 585 N TRP A 40 -5.890 -18.251 13.863 1.00 0.00 N ATOM 586 CA TRP A 40 -4.547 -17.615 13.741 1.00 0.00 C ATOM 587 C TRP A 40 -4.685 -16.194 13.186 1.00 0.00 C ATOM 588 O TRP A 40 -5.549 -15.916 12.379 1.00 0.00 O ATOM 589 CB TRP A 40 -3.778 -18.500 12.760 1.00 0.00 C ATOM 590 CG TRP A 40 -3.562 -19.848 13.368 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.413 -20.894 13.263 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.440 -20.312 14.172 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.884 -21.971 13.951 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.669 -21.662 14.529 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.258 -19.698 14.622 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.757 -22.377 15.305 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.337 -20.415 15.403 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.586 -21.752 15.744 1.00 0.00 C ATOM 0 H TRP A 40 -6.259 -18.654 13.001 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.039 -17.534 14.702 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.334 -18.595 11.827 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.820 -18.042 12.515 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.352 -20.889 12.729 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.336 -22.882 14.023 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.057 -18.668 14.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.954 -23.407 15.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.568 -19.934 15.743 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.126 -22.298 16.345 1.00 0.00 H new ATOM 609 N TRP A 41 -3.841 -15.295 13.612 1.00 0.00 N ATOM 610 CA TRP A 41 -3.928 -13.894 13.106 1.00 0.00 C ATOM 611 C TRP A 41 -2.616 -13.492 12.427 1.00 0.00 C ATOM 612 O TRP A 41 -1.564 -14.025 12.722 1.00 0.00 O ATOM 613 CB TRP A 41 -4.168 -13.038 14.350 1.00 0.00 C ATOM 614 CG TRP A 41 -5.536 -13.309 14.890 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.547 -13.881 14.196 1.00 0.00 C ATOM 616 CD2 TRP A 41 -6.060 -13.028 16.220 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.657 -13.970 15.016 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.407 -13.457 16.274 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.503 -12.448 17.374 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.174 -13.317 17.431 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.272 -12.305 18.541 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.605 -12.738 18.569 1.00 0.00 C ATOM 0 H TRP A 41 -3.096 -15.468 14.287 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.719 -13.772 12.366 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.416 -13.261 15.107 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.067 -11.981 14.102 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.495 -14.214 13.170 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.551 -14.366 14.727 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.477 -12.110 17.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.200 -13.654 17.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.834 -11.859 19.422 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.192 -12.624 19.469 1.00 0.00 H new ATOM 633 N LYS A 42 -2.668 -12.551 11.524 1.00 0.00 N ATOM 634 CA LYS A 42 -1.423 -12.109 10.833 1.00 0.00 C ATOM 635 C LYS A 42 -0.822 -10.907 11.566 1.00 0.00 C ATOM 636 O LYS A 42 -1.533 -10.061 12.071 1.00 0.00 O ATOM 637 CB LYS A 42 -1.867 -11.714 9.425 1.00 0.00 C ATOM 638 CG LYS A 42 -0.636 -11.472 8.550 1.00 0.00 C ATOM 639 CD LYS A 42 -1.080 -11.018 7.158 1.00 0.00 C ATOM 640 CE LYS A 42 0.147 -10.858 6.258 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.354 -10.132 5.056 1.00 0.00 N ATOM 0 H LYS A 42 -3.519 -12.069 11.235 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.660 -12.887 10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.484 -12.502 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.480 -10.814 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.003 -10.715 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.045 -12.385 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.767 -11.747 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.619 -10.073 7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.935 -10.296 6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.569 -11.826 5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.430 -9.983 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.098 -10.694 4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.743 -9.211 5.344 1.00 0.00 H new ATOM 655 N ALA A 43 0.479 -10.823 11.633 1.00 0.00 N ATOM 656 CA ALA A 43 1.109 -9.673 12.341 1.00 0.00 C ATOM 657 C ALA A 43 2.492 -9.372 11.757 1.00 0.00 C ATOM 658 O ALA A 43 2.985 -10.079 10.901 1.00 0.00 O ATOM 659 CB ALA A 43 1.233 -10.126 13.796 1.00 0.00 C ATOM 0 H ALA A 43 1.130 -11.497 11.230 1.00 0.00 H new ATOM 0 HA ALA A 43 0.521 -8.761 12.241 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.690 -9.332 14.387 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.243 -10.350 14.193 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.855 -11.020 13.847 1.00 0.00 H new ATOM 665 N GLN A 44 3.119 -8.325 12.219 1.00 0.00 N ATOM 666 CA GLN A 44 4.472 -7.969 11.701 1.00 0.00 C ATOM 667 C GLN A 44 5.369 -7.515 12.856 1.00 0.00 C ATOM 668 O GLN A 44 4.909 -6.932 13.818 1.00 0.00 O ATOM 669 CB GLN A 44 4.230 -6.819 10.723 1.00 0.00 C ATOM 670 CG GLN A 44 5.567 -6.353 10.143 1.00 0.00 C ATOM 671 CD GLN A 44 5.393 -4.974 9.505 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.304 -4.433 9.486 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.427 -4.377 8.978 1.00 0.00 N ATOM 0 H GLN A 44 2.752 -7.698 12.935 1.00 0.00 H new ATOM 0 HA GLN A 44 4.970 -8.811 11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.567 -7.143 9.921 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.734 -5.992 11.232 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.321 -6.309 10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.922 -7.067 9.400 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.341 -4.830 8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.322 -3.457 8.550 1.00 0.00 H new ATOM 682 N SER A 45 6.645 -7.778 12.774 1.00 0.00 N ATOM 683 CA SER A 45 7.562 -7.361 13.872 1.00 0.00 C ATOM 684 C SER A 45 7.904 -5.875 13.740 1.00 0.00 C ATOM 685 O SER A 45 8.016 -5.347 12.652 1.00 0.00 O ATOM 686 CB SER A 45 8.815 -8.217 13.690 1.00 0.00 C ATOM 687 OG SER A 45 8.551 -9.541 14.130 1.00 0.00 O ATOM 0 H SER A 45 7.091 -8.263 11.995 1.00 0.00 H new ATOM 0 HA SER A 45 7.115 -7.498 14.857 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.115 -8.224 12.642 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.644 -7.793 14.256 1.00 0.00 H new ATOM 0 HG SER A 45 8.956 -9.680 15.012 1.00 0.00 H new ATOM 693 N LEU A 46 8.074 -5.199 14.842 1.00 0.00 N ATOM 694 CA LEU A 46 8.415 -3.749 14.782 1.00 0.00 C ATOM 695 C LEU A 46 9.932 -3.568 14.866 1.00 0.00 C ATOM 696 O LEU A 46 10.455 -2.497 14.627 1.00 0.00 O ATOM 697 CB LEU A 46 7.731 -3.130 16.002 1.00 0.00 C ATOM 698 CG LEU A 46 6.212 -3.207 15.831 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.715 -4.576 16.300 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.548 -2.110 16.665 1.00 0.00 C ATOM 0 H LEU A 46 7.992 -5.587 15.782 1.00 0.00 H new ATOM 0 HA LEU A 46 8.087 -3.281 13.854 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.033 -3.657 16.907 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.042 -2.092 16.119 1.00 0.00 H new ATOM 0 HG LEU A 46 5.957 -3.068 14.780 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.633 -4.632 16.179 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.188 -5.358 15.705 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.970 -4.715 17.351 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.466 -2.165 16.543 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.802 -2.248 17.716 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.902 -1.135 16.331 1.00 0.00 H new ATOM 712 N THR A 47 10.640 -4.609 15.208 1.00 0.00 N ATOM 713 CA THR A 47 12.123 -4.501 15.313 1.00 0.00 C ATOM 714 C THR A 47 12.795 -5.186 14.119 1.00 0.00 C ATOM 715 O THR A 47 13.867 -4.801 13.697 1.00 0.00 O ATOM 716 CB THR A 47 12.481 -5.220 16.614 1.00 0.00 C ATOM 717 OG1 THR A 47 12.249 -6.614 16.461 1.00 0.00 O ATOM 718 CG2 THR A 47 11.617 -4.680 17.754 1.00 0.00 C ATOM 0 H THR A 47 10.256 -5.530 15.419 1.00 0.00 H new ATOM 0 HA THR A 47 12.460 -3.464 15.312 1.00 0.00 H new ATOM 0 HB THR A 47 13.532 -5.048 16.847 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.479 -7.077 17.293 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.874 -5.194 18.680 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.795 -3.611 17.871 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.565 -4.849 17.525 1.00 0.00 H new ATOM 726 N THR A 48 12.180 -6.201 13.573 1.00 0.00 N ATOM 727 CA THR A 48 12.798 -6.904 12.412 1.00 0.00 C ATOM 728 C THR A 48 12.165 -6.431 11.102 1.00 0.00 C ATOM 729 O THR A 48 12.711 -6.622 10.034 1.00 0.00 O ATOM 730 CB THR A 48 12.504 -8.387 12.645 1.00 0.00 C ATOM 731 OG1 THR A 48 11.136 -8.647 12.361 1.00 0.00 O ATOM 732 CG2 THR A 48 12.801 -8.745 14.102 1.00 0.00 C ATOM 0 H THR A 48 11.281 -6.572 13.879 1.00 0.00 H new ATOM 0 HA THR A 48 13.867 -6.706 12.334 1.00 0.00 H new ATOM 0 HB THR A 48 13.133 -8.990 11.990 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.975 -9.613 12.384 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.591 -9.802 14.267 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.850 -8.545 14.319 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.173 -8.144 14.760 1.00 0.00 H new ATOM 740 N GLY A 49 11.015 -5.819 11.172 1.00 0.00 N ATOM 741 CA GLY A 49 10.352 -5.341 9.926 1.00 0.00 C ATOM 742 C GLY A 49 9.956 -6.548 9.075 1.00 0.00 C ATOM 743 O GLY A 49 10.225 -6.603 7.892 1.00 0.00 O ATOM 0 H GLY A 49 10.507 -5.630 12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.470 -4.749 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.026 -4.692 9.367 1.00 0.00 H new ATOM 747 N GLN A 50 9.318 -7.517 9.672 1.00 0.00 N ATOM 748 CA GLN A 50 8.903 -8.723 8.901 1.00 0.00 C ATOM 749 C GLN A 50 7.443 -9.066 9.206 1.00 0.00 C ATOM 750 O GLN A 50 6.910 -8.697 10.233 1.00 0.00 O ATOM 751 CB GLN A 50 9.828 -9.840 9.384 1.00 0.00 C ATOM 752 CG GLN A 50 11.067 -9.900 8.488 1.00 0.00 C ATOM 753 CD GLN A 50 12.053 -10.926 9.050 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.818 -11.503 10.093 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.153 -11.181 8.397 1.00 0.00 N ATOM 0 H GLN A 50 9.066 -7.526 10.660 1.00 0.00 H new ATOM 0 HA GLN A 50 8.976 -8.571 7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.122 -9.661 10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.304 -10.795 9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.781 -10.173 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.538 -8.919 8.434 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.350 -10.697 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.816 -11.865 8.762 1.00 0.00 H new ATOM 764 N GLU A 51 6.793 -9.773 8.323 1.00 0.00 N ATOM 765 CA GLU A 51 5.370 -10.140 8.565 1.00 0.00 C ATOM 766 C GLU A 51 5.218 -11.663 8.599 1.00 0.00 C ATOM 767 O GLU A 51 5.848 -12.375 7.843 1.00 0.00 O ATOM 768 CB GLU A 51 4.600 -9.551 7.383 1.00 0.00 C ATOM 769 CG GLU A 51 4.809 -8.036 7.341 1.00 0.00 C ATOM 770 CD GLU A 51 3.986 -7.440 6.197 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.486 -8.207 5.391 1.00 0.00 O ATOM 772 OE2 GLU A 51 3.869 -6.226 6.147 1.00 0.00 O ATOM 0 H GLU A 51 7.186 -10.112 7.445 1.00 0.00 H new ATOM 0 HA GLU A 51 5.002 -9.761 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.942 -10.002 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.538 -9.780 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.510 -7.590 8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.866 -7.807 7.201 1.00 0.00 H new ATOM 779 N GLY A 52 4.387 -12.166 9.469 1.00 0.00 N ATOM 780 CA GLY A 52 4.198 -13.641 9.548 1.00 0.00 C ATOM 781 C GLY A 52 2.953 -13.951 10.381 1.00 0.00 C ATOM 782 O GLY A 52 2.499 -13.139 11.163 1.00 0.00 O ATOM 0 H GLY A 52 3.831 -11.620 10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.092 -14.059 8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.075 -14.107 9.997 1.00 0.00 H new ATOM 786 N PHE A 53 2.397 -15.121 10.221 1.00 0.00 N ATOM 787 CA PHE A 53 1.183 -15.481 11.006 1.00 0.00 C ATOM 788 C PHE A 53 1.550 -15.679 12.478 1.00 0.00 C ATOM 789 O PHE A 53 2.601 -16.195 12.801 1.00 0.00 O ATOM 790 CB PHE A 53 0.688 -16.792 10.394 1.00 0.00 C ATOM 791 CG PHE A 53 0.177 -16.534 8.996 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.031 -15.853 8.807 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.913 -16.973 7.889 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.504 -15.611 7.511 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.441 -16.733 6.594 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.767 -16.051 6.404 1.00 0.00 C ATOM 0 H PHE A 53 2.731 -15.842 9.581 1.00 0.00 H new ATOM 0 HA PHE A 53 0.420 -14.703 10.969 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.497 -17.522 10.368 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.105 -17.217 11.010 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.599 -15.514 9.661 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.846 -17.497 8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.436 -15.086 7.365 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.009 -17.074 5.741 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.130 -15.864 5.404 1.00 0.00 H new ATOM 806 N ILE A 54 0.694 -15.272 13.373 1.00 0.00 N ATOM 807 CA ILE A 54 0.998 -15.437 14.823 1.00 0.00 C ATOM 808 C ILE A 54 -0.248 -15.915 15.572 1.00 0.00 C ATOM 809 O ILE A 54 -1.317 -15.358 15.418 1.00 0.00 O ATOM 810 CB ILE A 54 1.410 -14.045 15.302 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.206 -13.103 15.231 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.529 -13.509 14.406 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.337 -12.863 16.641 1.00 0.00 C ATOM 0 H ILE A 54 -0.202 -14.833 13.164 1.00 0.00 H new ATOM 0 HA ILE A 54 1.779 -16.177 15.000 1.00 0.00 H new ATOM 0 HB ILE A 54 1.764 -14.105 16.331 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.498 -12.156 14.776 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.570 -13.535 14.599 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.824 -12.516 14.746 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.387 -14.179 14.455 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.174 -13.449 13.377 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.195 -12.192 16.591 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.644 -13.813 17.079 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.440 -12.413 17.259 1.00 0.00 H new ATOM 825 N PRO A 55 -0.064 -16.936 16.363 1.00 0.00 N ATOM 826 CA PRO A 55 -1.219 -17.466 17.131 1.00 0.00 C ATOM 827 C PRO A 55 -1.847 -16.351 17.972 1.00 0.00 C ATOM 828 O PRO A 55 -1.236 -15.332 18.225 1.00 0.00 O ATOM 829 CB PRO A 55 -0.612 -18.547 18.018 1.00 0.00 C ATOM 830 CG PRO A 55 0.822 -18.163 18.165 1.00 0.00 C ATOM 831 CD PRO A 55 1.211 -17.416 16.916 1.00 0.00 C ATOM 0 HA PRO A 55 -2.013 -17.856 16.494 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.111 -18.590 18.986 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.712 -19.533 17.564 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.965 -17.539 19.047 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.446 -19.047 18.295 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.883 -16.588 17.142 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.731 -18.065 16.211 1.00 0.00 H new ATOM 839 N PHE A 56 -3.065 -16.533 18.397 1.00 0.00 N ATOM 840 CA PHE A 56 -3.736 -15.477 19.210 1.00 0.00 C ATOM 841 C PHE A 56 -3.443 -15.667 20.703 1.00 0.00 C ATOM 842 O PHE A 56 -3.875 -14.888 21.528 1.00 0.00 O ATOM 843 CB PHE A 56 -5.230 -15.655 18.927 1.00 0.00 C ATOM 844 CG PHE A 56 -5.753 -16.858 19.678 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.631 -18.138 19.124 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.359 -16.692 20.929 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.114 -19.252 19.821 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.843 -17.806 21.626 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.720 -19.086 21.072 1.00 0.00 C ATOM 0 H PHE A 56 -3.626 -17.366 18.218 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.383 -14.478 18.953 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.776 -14.761 19.229 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.394 -15.783 17.857 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.164 -18.266 18.159 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.453 -15.705 21.357 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.019 -20.239 19.394 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.311 -17.678 22.591 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.093 -19.945 21.610 1.00 0.00 H new ATOM 859 N ASN A 57 -2.726 -16.697 21.062 1.00 0.00 N ATOM 860 CA ASN A 57 -2.429 -16.924 22.507 1.00 0.00 C ATOM 861 C ASN A 57 -1.018 -16.440 22.862 1.00 0.00 C ATOM 862 O ASN A 57 -0.739 -16.104 23.996 1.00 0.00 O ATOM 863 CB ASN A 57 -2.536 -18.437 22.696 1.00 0.00 C ATOM 864 CG ASN A 57 -3.965 -18.801 23.105 1.00 0.00 C ATOM 865 OD1 ASN A 57 -4.626 -18.042 23.786 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.472 -19.938 22.716 1.00 0.00 N ATOM 0 H ASN A 57 -2.335 -17.388 20.422 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.114 -16.374 23.152 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.269 -18.949 21.772 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.832 -18.769 23.459 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.423 -20.190 22.983 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.917 -20.575 22.144 1.00 0.00 H new ATOM 873 N PHE A 58 -0.124 -16.406 21.911 1.00 0.00 N ATOM 874 CA PHE A 58 1.264 -15.948 22.218 1.00 0.00 C ATOM 875 C PHE A 58 1.326 -14.419 22.258 1.00 0.00 C ATOM 876 O PHE A 58 2.301 -13.841 22.697 1.00 0.00 O ATOM 877 CB PHE A 58 2.131 -16.481 21.076 1.00 0.00 C ATOM 878 CG PHE A 58 2.286 -17.979 21.208 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.191 -18.823 20.986 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.529 -18.523 21.554 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.340 -20.210 21.109 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.677 -19.910 21.677 1.00 0.00 C ATOM 883 CZ PHE A 58 2.582 -20.753 21.454 1.00 0.00 C ATOM 0 H PHE A 58 -0.292 -16.673 20.941 1.00 0.00 H new ATOM 0 HA PHE A 58 1.602 -16.309 23.190 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.675 -16.236 20.116 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.110 -16.002 21.096 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.232 -18.404 20.720 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.374 -17.873 21.726 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.495 -20.861 20.937 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.636 -20.329 21.944 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.696 -21.823 21.548 1.00 0.00 H new ATOM 893 N VAL A 59 0.298 -13.759 21.804 1.00 0.00 N ATOM 894 CA VAL A 59 0.309 -12.268 21.818 1.00 0.00 C ATOM 895 C VAL A 59 -1.002 -11.734 22.402 1.00 0.00 C ATOM 896 O VAL A 59 -2.055 -12.310 22.216 1.00 0.00 O ATOM 897 CB VAL A 59 0.450 -11.859 20.352 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.794 -12.350 19.812 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.685 -12.483 19.536 1.00 0.00 C ATOM 0 H VAL A 59 -0.548 -14.185 21.425 1.00 0.00 H new ATOM 0 HA VAL A 59 1.115 -11.867 22.432 1.00 0.00 H new ATOM 0 HB VAL A 59 0.401 -10.773 20.272 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.895 -12.058 18.767 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.603 -11.906 20.392 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.843 -13.436 19.892 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.584 -12.191 18.491 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.636 -13.569 19.616 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.644 -12.134 19.920 1.00 0.00 H new ATOM 909 N ALA A 60 -0.946 -10.636 23.107 1.00 0.00 N ATOM 910 CA ALA A 60 -2.190 -10.068 23.701 1.00 0.00 C ATOM 911 C ALA A 60 -2.290 -8.571 23.393 1.00 0.00 C ATOM 912 O ALA A 60 -1.314 -7.929 23.060 1.00 0.00 O ATOM 913 CB ALA A 60 -2.050 -10.297 25.206 1.00 0.00 C ATOM 0 H ALA A 60 -0.094 -10.109 23.297 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.089 -10.535 23.299 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.929 -9.905 25.717 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.961 -11.365 25.405 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.160 -9.784 25.571 1.00 0.00 H new ATOM 919 N LYS A 61 -3.464 -8.011 23.502 1.00 0.00 N ATOM 920 CA LYS A 61 -3.627 -6.557 23.216 1.00 0.00 C ATOM 921 C LYS A 61 -2.934 -5.724 24.298 1.00 0.00 C ATOM 922 O LYS A 61 -3.106 -5.957 25.479 1.00 0.00 O ATOM 923 CB LYS A 61 -5.136 -6.316 23.237 1.00 0.00 C ATOM 924 CG LYS A 61 -5.431 -4.883 22.788 1.00 0.00 C ATOM 925 CD LYS A 61 -6.933 -4.611 22.905 1.00 0.00 C ATOM 926 CE LYS A 61 -7.244 -3.219 22.350 1.00 0.00 C ATOM 927 NZ LYS A 61 -8.720 -3.073 22.494 1.00 0.00 N ATOM 0 H LYS A 61 -4.317 -8.497 23.777 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.182 -6.271 22.263 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.637 -7.025 22.578 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.527 -6.482 24.241 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.874 -4.176 23.402 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.103 -4.738 21.759 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.494 -5.367 22.356 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.245 -4.677 23.947 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.714 -2.445 22.904 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.938 -3.131 21.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.013 -2.142 22.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.197 -3.820 21.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.981 -3.155 23.497 1.00 0.00 H new ATOM 941 N ALA A 62 -2.153 -4.755 23.906 1.00 0.00 N ATOM 942 CA ALA A 62 -1.451 -3.909 24.914 1.00 0.00 C ATOM 943 C ALA A 62 -2.469 -3.190 25.803 1.00 0.00 C ATOM 944 O ALA A 62 -3.571 -2.892 25.386 1.00 0.00 O ATOM 945 CB ALA A 62 -0.648 -2.900 24.093 1.00 0.00 C ATOM 0 H ALA A 62 -1.970 -4.512 22.932 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.813 -4.497 25.574 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.101 -2.238 24.764 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.057 -3.431 23.453 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.326 -2.311 23.476 1.00 0.00 H new ATOM 951 N ASN A 63 -2.110 -2.909 27.026 1.00 0.00 N ATOM 952 CA ASN A 63 -3.058 -2.210 27.940 1.00 0.00 C ATOM 953 C ASN A 63 -2.444 -0.897 28.435 1.00 0.00 C ATOM 954 O ASN A 63 -2.456 0.061 27.680 1.00 0.00 O ATOM 955 CB ASN A 63 -3.270 -3.176 29.106 1.00 0.00 C ATOM 956 CG ASN A 63 -4.495 -2.742 29.913 1.00 0.00 C ATOM 957 OD1 ASN A 63 -5.097 -1.726 29.627 1.00 0.00 O ATOM 958 ND2 ASN A 63 -4.892 -3.474 30.918 1.00 0.00 N ATOM 959 OXT ASN A 63 -1.973 -0.874 29.560 1.00 0.00 O ATOM 0 H ASN A 63 -1.201 -3.133 27.432 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.996 -1.956 27.446 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.409 -4.190 28.731 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.387 -3.191 29.745 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.707 -3.193 31.463 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.387 -4.327 31.159 1.00 0.00 H new TER 966 ASN A 63