USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 642 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 33 LYS NZ :NH3+ 172:sc= 0.216 (180deg=-0.24) USER MOD Set 1.2: A 39 SER OG : rot 41:sc= 0.443 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.151 X(o=0.15,f=-0.037) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 1.64 (180deg=1.57) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= 0.00561 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0.475 (180deg=0.394) USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -0.053 (180deg=-0.23) USER MOD Single : A 59 THR OG1 : rot 50:sc= 0.242 USER MOD Single : A 62 TYR OH : rot -33:sc= 0.557 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 1.36 (180deg=1.24) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0207 K(o=-0.021,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ -126:sc= 1.31 (180deg=0.363) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -13.929 15.498 -1.822 1.00 0.00 N ATOM 2 CA PHE A 1 -12.452 15.439 -1.864 1.00 0.00 C ATOM 3 C PHE A 1 -11.950 14.266 -2.758 1.00 0.00 C ATOM 4 O PHE A 1 -12.135 13.089 -2.434 1.00 0.00 O ATOM 5 CB PHE A 1 -11.846 15.363 -0.430 1.00 0.00 C ATOM 6 CG PHE A 1 -11.007 16.596 -0.053 1.00 0.00 C ATOM 7 CD1 PHE A 1 -9.714 16.761 -0.578 1.00 0.00 C ATOM 8 CD2 PHE A 1 -11.507 17.571 0.823 1.00 0.00 C ATOM 9 CE1 PHE A 1 -8.944 17.874 -0.236 1.00 0.00 C ATOM 10 CE2 PHE A 1 -10.734 18.683 1.167 1.00 0.00 C ATOM 11 CZ PHE A 1 -9.455 18.831 0.637 1.00 0.00 C ATOM 0 H1 PHE A 1 -14.228 16.290 -1.218 1.00 0.00 H new ATOM 0 H2 PHE A 1 -14.298 15.638 -2.784 1.00 0.00 H new ATOM 0 H3 PHE A 1 -14.301 14.608 -1.434 1.00 0.00 H new ATOM 0 HA PHE A 1 -12.102 16.365 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -12.655 15.249 0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -11.223 14.472 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -9.312 16.020 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -12.499 17.461 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -7.953 17.993 -0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -11.128 19.427 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 1 -8.858 19.690 0.904 1.00 0.00 H new ATOM 22 N ASN A 2 -11.229 14.609 -3.836 1.00 0.00 N ATOM 23 CA ASN A 2 -10.461 13.620 -4.649 1.00 0.00 C ATOM 24 C ASN A 2 -9.211 12.996 -3.926 1.00 0.00 C ATOM 25 O ASN A 2 -8.921 11.808 -4.097 1.00 0.00 O ATOM 26 CB ASN A 2 -10.025 14.355 -5.948 1.00 0.00 C ATOM 27 CG ASN A 2 -9.591 13.430 -7.077 1.00 0.00 C ATOM 28 OD1 ASN A 2 -10.355 12.615 -7.578 1.00 0.00 O ATOM 29 ND2 ASN A 2 -8.362 13.523 -7.528 1.00 0.00 N ATOM 0 H ASN A 2 -11.154 15.568 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 2 -11.109 12.766 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.853 14.972 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.203 15.030 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.051 12.919 -8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.718 14.199 -7.117 1.00 0.00 H new ATOM 36 N VAL A 3 -8.454 13.823 -3.189 1.00 0.00 N ATOM 37 CA VAL A 3 -7.224 13.401 -2.475 1.00 0.00 C ATOM 38 C VAL A 3 -7.515 12.975 -0.997 1.00 0.00 C ATOM 39 O VAL A 3 -8.397 13.530 -0.336 1.00 0.00 O ATOM 40 CB VAL A 3 -6.135 14.504 -2.701 1.00 0.00 C ATOM 41 CG1 VAL A 3 -6.125 15.650 -1.690 1.00 0.00 C ATOM 42 CG2 VAL A 3 -4.737 13.883 -2.872 1.00 0.00 C ATOM 0 H VAL A 3 -8.674 14.811 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.812 12.479 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.430 14.984 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.332 16.353 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.086 16.164 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.950 15.252 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.004 14.674 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.478 13.318 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.738 13.216 -3.734 1.00 0.00 H new ATOM 52 N LYS A 4 -6.773 11.971 -0.499 1.00 0.00 N ATOM 53 CA LYS A 4 -6.892 11.492 0.906 1.00 0.00 C ATOM 54 C LYS A 4 -5.499 10.976 1.452 1.00 0.00 C ATOM 55 O LYS A 4 -4.675 10.409 0.723 1.00 0.00 O ATOM 56 CB LYS A 4 -7.926 10.332 1.017 1.00 0.00 C ATOM 57 CG LYS A 4 -9.366 10.768 1.380 1.00 0.00 C ATOM 58 CD LYS A 4 -10.243 9.511 1.557 1.00 0.00 C ATOM 59 CE LYS A 4 -11.730 9.768 1.849 1.00 0.00 C ATOM 60 NZ LYS A 4 -11.970 10.154 3.271 1.00 0.00 N ATOM 0 H LYS A 4 -6.076 11.466 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.228 12.340 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.953 9.798 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.576 9.625 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.361 11.356 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.775 11.405 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.169 8.909 0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.830 8.915 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.095 10.559 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.304 8.871 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.986 10.317 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.647 9.390 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.444 11.025 3.488 1.00 0.00 H new ATOM 74 N GLN A 5 -5.332 11.162 2.769 1.00 0.00 N ATOM 75 CA GLN A 5 -4.167 10.678 3.562 1.00 0.00 C ATOM 76 C GLN A 5 -3.842 9.145 3.513 1.00 0.00 C ATOM 77 O GLN A 5 -4.503 8.345 2.845 1.00 0.00 O ATOM 78 CB GLN A 5 -4.397 11.214 5.011 1.00 0.00 C ATOM 79 CG GLN A 5 -3.567 12.467 5.375 1.00 0.00 C ATOM 80 CD GLN A 5 -2.147 12.174 5.836 1.00 0.00 C ATOM 81 OE1 GLN A 5 -1.907 11.373 6.734 1.00 0.00 O ATOM 82 NE2 GLN A 5 -1.151 12.807 5.277 1.00 0.00 N ATOM 0 H GLN A 5 -6.014 11.664 3.337 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.258 11.068 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.455 11.447 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.161 10.420 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.525 13.124 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.085 13.014 6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.328 13.477 4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.196 12.631 5.589 1.00 0.00 H new ATOM 91 N LYS A 6 -2.707 8.770 4.122 1.00 0.00 N ATOM 92 CA LYS A 6 -1.934 7.568 3.714 1.00 0.00 C ATOM 93 C LYS A 6 -2.346 6.272 4.465 1.00 0.00 C ATOM 94 O LYS A 6 -2.550 6.270 5.680 1.00 0.00 O ATOM 95 CB LYS A 6 -0.418 7.844 3.876 1.00 0.00 C ATOM 96 CG LYS A 6 0.167 9.063 3.151 1.00 0.00 C ATOM 97 CD LYS A 6 0.170 9.073 1.620 1.00 0.00 C ATOM 98 CE LYS A 6 -1.176 9.343 0.930 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.953 10.112 -0.318 1.00 0.00 N ATOM 0 H LYS A 6 -2.295 9.279 4.904 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.169 7.382 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.209 7.955 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.122 6.960 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.382 9.943 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.198 9.184 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.881 9.828 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.543 8.109 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.675 8.401 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.833 9.899 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.840 10.162 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.637 11.074 -0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.225 9.640 -0.891 1.00 0.00 H new ATOM 113 N SER A 7 -2.465 5.168 3.708 1.00 0.00 N ATOM 114 CA SER A 7 -2.871 3.854 4.272 1.00 0.00 C ATOM 115 C SER A 7 -1.677 2.868 4.217 1.00 0.00 C ATOM 116 O SER A 7 -1.363 2.361 3.142 1.00 0.00 O ATOM 117 CB SER A 7 -4.077 3.310 3.464 1.00 0.00 C ATOM 118 OG SER A 7 -5.215 4.156 3.609 1.00 0.00 O ATOM 0 H SER A 7 -2.288 5.152 2.704 1.00 0.00 H new ATOM 0 HA SER A 7 -3.167 3.969 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.808 3.234 2.410 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.322 2.304 3.804 1.00 0.00 H new ATOM 0 HG SER A 7 -5.961 3.792 3.089 1.00 0.00 H new ATOM 124 N GLU A 8 -1.038 2.633 5.369 1.00 0.00 N ATOM 125 CA GLU A 8 0.160 1.756 5.478 1.00 0.00 C ATOM 126 C GLU A 8 -0.204 0.492 6.330 1.00 0.00 C ATOM 127 O GLU A 8 -0.195 0.543 7.564 1.00 0.00 O ATOM 128 CB GLU A 8 1.323 2.571 6.110 1.00 0.00 C ATOM 129 CG GLU A 8 1.888 3.681 5.197 1.00 0.00 C ATOM 130 CD GLU A 8 3.060 4.436 5.803 1.00 0.00 C ATOM 131 OE1 GLU A 8 2.822 5.425 6.529 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.221 4.062 5.532 1.00 0.00 O ATOM 0 H GLU A 8 -1.328 3.040 6.258 1.00 0.00 H new ATOM 0 HA GLU A 8 0.484 1.412 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.973 3.023 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.130 1.887 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.203 3.237 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.092 4.389 4.966 1.00 0.00 H new ATOM 139 N ILE A 9 -0.562 -0.627 5.673 1.00 0.00 N ATOM 140 CA ILE A 9 -1.052 -1.857 6.371 1.00 0.00 C ATOM 141 C ILE A 9 0.009 -3.005 6.238 1.00 0.00 C ATOM 142 O ILE A 9 0.645 -3.206 5.197 1.00 0.00 O ATOM 143 CB ILE A 9 -2.464 -2.272 5.830 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.570 -1.191 6.007 1.00 0.00 C ATOM 145 CG2 ILE A 9 -2.985 -3.629 6.354 1.00 0.00 C ATOM 146 CD1 ILE A 9 -3.895 -0.759 7.435 1.00 0.00 C ATOM 0 H ILE A 9 -0.525 -0.717 4.658 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.174 -1.650 7.434 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.267 -2.380 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.272 -0.306 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.486 -1.565 5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.967 -3.832 5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.293 -4.420 6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.063 -3.594 7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.680 -0.003 7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.235 -1.622 8.008 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.002 -0.343 7.901 1.00 0.00 H new ATOM 158 N THR A 10 0.137 -3.774 7.326 1.00 0.00 N ATOM 159 CA THR A 10 1.105 -4.898 7.445 1.00 0.00 C ATOM 160 C THR A 10 0.689 -6.186 6.657 1.00 0.00 C ATOM 161 O THR A 10 -0.490 -6.436 6.385 1.00 0.00 O ATOM 162 CB THR A 10 1.287 -5.129 8.980 1.00 0.00 C ATOM 163 OG1 THR A 10 1.851 -3.966 9.585 1.00 0.00 O ATOM 164 CG2 THR A 10 2.217 -6.258 9.387 1.00 0.00 C ATOM 0 H THR A 10 -0.430 -3.641 8.164 1.00 0.00 H new ATOM 0 HA THR A 10 2.053 -4.643 6.972 1.00 0.00 H new ATOM 0 HB THR A 10 0.278 -5.377 9.309 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.960 -4.118 10.547 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.261 -6.319 10.474 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.843 -7.200 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.215 -6.067 8.994 1.00 0.00 H new ATOM 172 N ALA A 11 1.696 -7.001 6.300 1.00 0.00 N ATOM 173 CA ALA A 11 1.527 -8.193 5.446 1.00 0.00 C ATOM 174 C ALA A 11 0.679 -9.362 6.029 1.00 0.00 C ATOM 175 O ALA A 11 0.961 -9.880 7.112 1.00 0.00 O ATOM 176 CB ALA A 11 2.953 -8.661 5.090 1.00 0.00 C ATOM 0 H ALA A 11 2.660 -6.851 6.598 1.00 0.00 H new ATOM 0 HA ALA A 11 0.934 -7.898 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.898 -9.545 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.475 -7.865 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.495 -8.904 6.004 1.00 0.00 H new ATOM 182 N LEU A 12 -0.349 -9.770 5.273 1.00 0.00 N ATOM 183 CA LEU A 12 -1.283 -10.850 5.667 1.00 0.00 C ATOM 184 C LEU A 12 -0.982 -12.156 4.862 1.00 0.00 C ATOM 185 O LEU A 12 -0.742 -12.130 3.650 1.00 0.00 O ATOM 186 CB LEU A 12 -2.744 -10.359 5.403 1.00 0.00 C ATOM 187 CG LEU A 12 -3.597 -10.131 6.676 1.00 0.00 C ATOM 188 CD1 LEU A 12 -4.889 -9.379 6.296 1.00 0.00 C ATOM 189 CD2 LEU A 12 -3.987 -11.447 7.364 1.00 0.00 C ATOM 0 H LEU A 12 -0.563 -9.361 4.363 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.159 -11.081 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.702 -9.427 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.249 -11.090 4.772 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.990 -9.551 7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.492 -9.217 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.633 -8.417 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.457 -9.971 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.584 -11.231 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.569 -12.059 6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.086 -11.986 7.656 1.00 0.00 H new ATOM 201 N VAL A 13 -1.067 -13.301 5.551 1.00 0.00 N ATOM 202 CA VAL A 13 -1.027 -14.653 4.920 1.00 0.00 C ATOM 203 C VAL A 13 -2.231 -14.919 3.949 1.00 0.00 C ATOM 204 O VAL A 13 -3.340 -14.422 4.161 1.00 0.00 O ATOM 205 CB VAL A 13 -0.939 -15.794 5.989 1.00 0.00 C ATOM 206 CG1 VAL A 13 0.462 -15.909 6.619 1.00 0.00 C ATOM 207 CG2 VAL A 13 -1.999 -15.747 7.104 1.00 0.00 C ATOM 0 H VAL A 13 -1.166 -13.330 6.566 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.117 -14.663 4.320 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.154 -16.687 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.466 -16.715 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.194 -16.123 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.718 -14.970 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.845 -16.582 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.910 -14.809 7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.994 -15.817 6.664 1.00 0.00 H new ATOM 217 N LYS A 14 -1.992 -15.702 2.885 1.00 0.00 N ATOM 218 CA LYS A 14 -2.913 -15.748 1.715 1.00 0.00 C ATOM 219 C LYS A 14 -4.316 -16.377 2.008 1.00 0.00 C ATOM 220 O LYS A 14 -4.465 -17.378 2.721 1.00 0.00 O ATOM 221 CB LYS A 14 -2.152 -16.459 0.564 1.00 0.00 C ATOM 222 CG LYS A 14 -2.795 -16.390 -0.838 1.00 0.00 C ATOM 223 CD LYS A 14 -2.812 -14.979 -1.450 1.00 0.00 C ATOM 224 CE LYS A 14 -3.605 -14.883 -2.769 1.00 0.00 C ATOM 225 NZ LYS A 14 -2.817 -15.374 -3.937 1.00 0.00 N ATOM 0 H LYS A 14 -1.178 -16.311 2.801 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.174 -14.729 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.152 -16.030 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.032 -17.509 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.254 -17.059 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.818 -16.760 -0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.241 -14.285 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.786 -14.658 -1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.523 -15.464 -2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.898 -13.847 -2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.389 -15.291 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.953 -14.804 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.559 -16.370 -3.787 1.00 0.00 H new ATOM 239 N GLU A 15 -5.330 -15.741 1.428 1.00 0.00 N ATOM 240 CA GLU A 15 -6.753 -16.106 1.549 1.00 0.00 C ATOM 241 C GLU A 15 -7.177 -17.039 0.378 1.00 0.00 C ATOM 242 O GLU A 15 -6.973 -16.745 -0.805 1.00 0.00 O ATOM 243 CB GLU A 15 -7.621 -14.824 1.677 1.00 0.00 C ATOM 244 CG GLU A 15 -7.487 -13.696 0.635 1.00 0.00 C ATOM 245 CD GLU A 15 -6.273 -12.780 0.762 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.156 -13.197 0.381 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.428 -11.630 1.221 1.00 0.00 O ATOM 0 H GLU A 15 -5.185 -14.923 0.835 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.916 -16.680 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.665 -15.138 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.414 -14.389 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.467 -14.150 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.384 -13.079 0.685 1.00 0.00 H new ATOM 254 N VAL A 16 -7.709 -18.209 0.747 1.00 0.00 N ATOM 255 CA VAL A 16 -7.926 -19.345 -0.191 1.00 0.00 C ATOM 256 C VAL A 16 -9.270 -20.073 0.213 1.00 0.00 C ATOM 257 O VAL A 16 -9.725 -20.004 1.361 1.00 0.00 O ATOM 258 CB VAL A 16 -6.735 -20.383 -0.225 1.00 0.00 C ATOM 259 CG1 VAL A 16 -6.592 -21.009 -1.636 1.00 0.00 C ATOM 260 CG2 VAL A 16 -5.332 -19.859 0.146 1.00 0.00 C ATOM 0 H VAL A 16 -8.006 -18.408 1.703 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.983 -18.932 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.031 -21.091 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.766 -21.720 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.515 -21.525 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.394 -20.223 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.611 -20.674 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.046 -19.065 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.347 -19.467 1.163 1.00 0.00 H new ATOM 270 N THR A 17 -9.885 -20.786 -0.739 1.00 0.00 N ATOM 271 CA THR A 17 -11.157 -21.531 -0.506 1.00 0.00 C ATOM 272 C THR A 17 -11.022 -22.762 0.453 1.00 0.00 C ATOM 273 O THR A 17 -11.746 -22.739 1.453 1.00 0.00 O ATOM 274 CB THR A 17 -11.829 -21.861 -1.870 1.00 0.00 C ATOM 275 OG1 THR A 17 -11.865 -20.712 -2.716 1.00 0.00 O ATOM 276 CG2 THR A 17 -13.276 -22.326 -1.750 1.00 0.00 C ATOM 0 H THR A 17 -9.528 -20.871 -1.691 1.00 0.00 H new ATOM 0 HA THR A 17 -11.826 -20.873 0.049 1.00 0.00 H new ATOM 0 HB THR A 17 -11.217 -22.665 -2.279 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.290 -20.946 -3.567 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.674 -22.536 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.318 -23.230 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.871 -21.544 -1.278 1.00 0.00 H new ATOM 284 N PRO A 18 -10.161 -23.811 0.277 1.00 0.00 N ATOM 285 CA PRO A 18 -9.889 -24.795 1.372 1.00 0.00 C ATOM 286 C PRO A 18 -9.007 -24.217 2.527 1.00 0.00 C ATOM 287 O PRO A 18 -8.250 -23.266 2.281 1.00 0.00 O ATOM 288 CB PRO A 18 -9.197 -25.938 0.589 1.00 0.00 C ATOM 289 CG PRO A 18 -8.396 -25.221 -0.522 1.00 0.00 C ATOM 290 CD PRO A 18 -9.250 -23.985 -0.872 1.00 0.00 C ATOM 0 HA PRO A 18 -10.784 -25.107 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.542 -26.522 1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.927 -26.629 0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.404 -24.933 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.255 -25.866 -1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.626 -23.103 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.806 -24.139 -1.797 1.00 0.00 H new ATOM 298 N PRO A 19 -9.037 -24.746 3.780 1.00 0.00 N ATOM 299 CA PRO A 19 -8.284 -24.134 4.929 1.00 0.00 C ATOM 300 C PRO A 19 -6.746 -24.348 4.864 1.00 0.00 C ATOM 301 O PRO A 19 -6.185 -25.301 5.413 1.00 0.00 O ATOM 302 CB PRO A 19 -8.998 -24.774 6.149 1.00 0.00 C ATOM 303 CG PRO A 19 -9.502 -26.143 5.637 1.00 0.00 C ATOM 304 CD PRO A 19 -9.944 -25.840 4.197 1.00 0.00 C ATOM 0 HA PRO A 19 -8.317 -23.045 4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.315 -24.893 6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.824 -24.152 6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.716 -26.898 5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.328 -26.519 6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.841 -26.714 3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.989 -25.533 4.154 1.00 0.00 H new ATOM 312 N ARG A 20 -6.087 -23.429 4.142 1.00 0.00 N ATOM 313 CA ARG A 20 -4.650 -23.544 3.775 1.00 0.00 C ATOM 314 C ARG A 20 -4.025 -22.118 3.706 1.00 0.00 C ATOM 315 O ARG A 20 -4.552 -21.239 3.012 1.00 0.00 O ATOM 316 CB ARG A 20 -4.564 -24.252 2.394 1.00 0.00 C ATOM 317 CG ARG A 20 -3.158 -24.787 2.054 1.00 0.00 C ATOM 318 CD ARG A 20 -3.066 -25.457 0.671 1.00 0.00 C ATOM 319 NE ARG A 20 -3.821 -26.737 0.644 1.00 0.00 N ATOM 320 CZ ARG A 20 -3.960 -27.528 -0.413 1.00 0.00 C ATOM 321 NH1 ARG A 20 -3.393 -27.299 -1.571 1.00 0.00 N ATOM 322 NH2 ARG A 20 -4.699 -28.591 -0.291 1.00 0.00 N ATOM 0 H ARG A 20 -6.529 -22.579 3.791 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.100 -24.124 4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.272 -25.081 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.874 -23.552 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.446 -23.963 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.859 -25.506 2.816 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.460 -24.783 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.021 -25.642 0.422 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.270 -27.033 1.511 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.806 -26.474 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.538 -27.945 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.153 -28.797 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.825 -29.218 -1.085 1.00 0.00 H new ATOM 336 N LYS A 21 -2.908 -21.886 4.406 1.00 0.00 N ATOM 337 CA LYS A 21 -2.273 -20.543 4.474 1.00 0.00 C ATOM 338 C LYS A 21 -0.915 -20.531 3.711 1.00 0.00 C ATOM 339 O LYS A 21 0.089 -21.049 4.208 1.00 0.00 O ATOM 340 CB LYS A 21 -2.047 -20.130 5.951 1.00 0.00 C ATOM 341 CG LYS A 21 -3.306 -19.886 6.801 1.00 0.00 C ATOM 342 CD LYS A 21 -4.158 -18.674 6.379 1.00 0.00 C ATOM 343 CE LYS A 21 -5.500 -19.065 5.744 1.00 0.00 C ATOM 344 NZ LYS A 21 -6.279 -17.831 5.453 1.00 0.00 N ATOM 0 H LYS A 21 -2.417 -22.605 4.937 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.945 -19.828 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.455 -20.907 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.448 -19.220 5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.930 -20.779 6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.003 -19.753 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.346 -18.049 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.591 -18.070 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.332 -19.629 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.060 -19.713 6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.285 -18.072 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.164 -17.155 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.933 -17.402 4.571 1.00 0.00 H new ATOM 358 N ALA A 22 -0.882 -19.900 2.527 1.00 0.00 N ATOM 359 CA ALA A 22 0.390 -19.657 1.804 1.00 0.00 C ATOM 360 C ALA A 22 1.098 -18.324 2.234 1.00 0.00 C ATOM 361 O ALA A 22 0.399 -17.326 2.476 1.00 0.00 O ATOM 362 CB ALA A 22 0.101 -19.706 0.300 1.00 0.00 C ATOM 0 H ALA A 22 -1.711 -19.549 2.048 1.00 0.00 H new ATOM 0 HA ALA A 22 1.102 -20.439 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.023 -19.530 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.298 -20.686 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.628 -18.937 0.044 1.00 0.00 H new ATOM 368 N PRO A 23 2.454 -18.229 2.340 1.00 0.00 N ATOM 369 CA PRO A 23 3.138 -17.023 2.927 1.00 0.00 C ATOM 370 C PRO A 23 3.362 -15.850 1.930 1.00 0.00 C ATOM 371 O PRO A 23 4.490 -15.514 1.545 1.00 0.00 O ATOM 372 CB PRO A 23 4.439 -17.675 3.473 1.00 0.00 C ATOM 373 CG PRO A 23 4.769 -18.773 2.435 1.00 0.00 C ATOM 374 CD PRO A 23 3.385 -19.360 2.111 1.00 0.00 C ATOM 0 HA PRO A 23 2.551 -16.503 3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.246 -16.947 3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.288 -18.097 4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.251 -18.360 1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.443 -19.526 2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.334 -19.717 1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.150 -20.207 2.755 1.00 0.00 H new ATOM 382 N SER A 24 2.249 -15.207 1.555 1.00 0.00 N ATOM 383 CA SER A 24 2.225 -14.131 0.541 1.00 0.00 C ATOM 384 C SER A 24 2.656 -12.757 1.111 1.00 0.00 C ATOM 385 O SER A 24 2.105 -12.281 2.108 1.00 0.00 O ATOM 386 CB SER A 24 0.792 -14.085 -0.040 1.00 0.00 C ATOM 387 OG SER A 24 0.649 -13.067 -1.030 1.00 0.00 O ATOM 0 H SER A 24 1.330 -15.416 1.946 1.00 0.00 H new ATOM 0 HA SER A 24 2.953 -14.349 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.547 -15.053 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.079 -13.910 0.766 1.00 0.00 H new ATOM 0 HG SER A 24 -0.269 -13.071 -1.373 1.00 0.00 H new ATOM 393 N LYS A 25 3.620 -12.098 0.452 1.00 0.00 N ATOM 394 CA LYS A 25 4.125 -10.774 0.906 1.00 0.00 C ATOM 395 C LYS A 25 3.178 -9.629 0.437 1.00 0.00 C ATOM 396 O LYS A 25 3.197 -9.217 -0.727 1.00 0.00 O ATOM 397 CB LYS A 25 5.578 -10.546 0.427 1.00 0.00 C ATOM 398 CG LYS A 25 6.689 -11.063 1.364 1.00 0.00 C ATOM 399 CD LYS A 25 6.698 -12.578 1.618 1.00 0.00 C ATOM 400 CE LYS A 25 7.896 -12.997 2.488 1.00 0.00 C ATOM 401 NZ LYS A 25 7.839 -14.463 2.745 1.00 0.00 N ATOM 0 H LYS A 25 4.070 -12.449 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 25 4.134 -10.765 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.698 -11.025 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.726 -9.477 0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.654 -10.778 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.596 -10.553 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.770 -12.871 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.736 -13.107 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.829 -12.742 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.882 -12.451 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.649 -14.744 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.955 -14.694 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.873 -14.976 1.841 1.00 0.00 H new ATOM 415 N ALA A 26 2.358 -9.137 1.373 1.00 0.00 N ATOM 416 CA ALA A 26 1.413 -8.039 1.119 1.00 0.00 C ATOM 417 C ALA A 26 1.932 -6.713 1.712 1.00 0.00 C ATOM 418 O ALA A 26 2.317 -6.628 2.882 1.00 0.00 O ATOM 419 CB ALA A 26 0.060 -8.440 1.723 1.00 0.00 C ATOM 0 H ALA A 26 2.330 -9.488 2.330 1.00 0.00 H new ATOM 0 HA ALA A 26 1.303 -7.872 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.665 -7.645 1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.291 -9.359 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.174 -8.602 2.795 1.00 0.00 H new ATOM 425 N LYS A 27 1.933 -5.662 0.903 1.00 0.00 N ATOM 426 CA LYS A 27 2.058 -4.275 1.411 1.00 0.00 C ATOM 427 C LYS A 27 0.881 -3.449 0.824 1.00 0.00 C ATOM 428 O LYS A 27 0.649 -3.440 -0.391 1.00 0.00 O ATOM 429 CB LYS A 27 3.442 -3.673 1.081 1.00 0.00 C ATOM 430 CG LYS A 27 4.556 -4.051 2.088 1.00 0.00 C ATOM 431 CD LYS A 27 5.315 -5.346 1.752 1.00 0.00 C ATOM 432 CE LYS A 27 5.818 -6.135 2.978 1.00 0.00 C ATOM 433 NZ LYS A 27 6.890 -5.403 3.718 1.00 0.00 N ATOM 0 H LYS A 27 1.849 -5.729 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 27 1.995 -4.259 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.741 -4.002 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.354 -2.587 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.271 -3.230 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.112 -4.153 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.662 -5.992 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.169 -5.097 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.983 -6.330 3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.199 -7.103 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.198 -5.970 4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.699 -5.239 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.520 -4.490 4.051 1.00 0.00 H new ATOM 447 N ARG A 28 0.141 -2.768 1.712 1.00 0.00 N ATOM 448 CA ARG A 28 -0.907 -1.796 1.300 1.00 0.00 C ATOM 449 C ARG A 28 -0.308 -0.404 1.661 1.00 0.00 C ATOM 450 O ARG A 28 -0.142 -0.124 2.846 1.00 0.00 O ATOM 451 CB ARG A 28 -2.303 -2.037 1.953 1.00 0.00 C ATOM 452 CG ARG A 28 -2.704 -3.516 2.140 1.00 0.00 C ATOM 453 CD ARG A 28 -4.170 -3.755 2.531 1.00 0.00 C ATOM 454 NE ARG A 28 -4.372 -5.229 2.620 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.530 -5.846 2.838 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.666 -5.221 3.012 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.533 -7.148 2.880 1.00 0.00 N ATOM 0 H ARG A 28 0.242 -2.866 2.722 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.129 -1.894 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.318 -1.549 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.060 -1.548 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.501 -4.050 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.065 -3.954 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.396 -3.278 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.841 -3.320 1.790 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.547 -5.818 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.697 -4.202 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.521 -5.753 3.175 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.663 -7.665 2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.405 -7.651 3.045 1.00 0.00 H new ATOM 471 N GLU A 29 0.102 0.379 0.652 1.00 0.00 N ATOM 472 CA GLU A 29 0.822 1.669 0.867 1.00 0.00 C ATOM 473 C GLU A 29 0.326 2.684 -0.222 1.00 0.00 C ATOM 474 O GLU A 29 0.321 2.373 -1.422 1.00 0.00 O ATOM 475 CB GLU A 29 2.373 1.529 0.790 1.00 0.00 C ATOM 476 CG GLU A 29 3.044 0.948 2.054 1.00 0.00 C ATOM 477 CD GLU A 29 4.523 0.632 1.874 1.00 0.00 C ATOM 478 OE1 GLU A 29 4.823 -0.437 1.306 1.00 0.00 O ATOM 479 OE2 GLU A 29 5.397 1.447 2.254 1.00 0.00 O ATOM 0 H GLU A 29 -0.048 0.150 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 29 0.599 2.018 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.623 0.893 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.801 2.511 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.931 1.658 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.520 0.038 2.346 1.00 0.00 H new ATOM 486 N ALA A 30 -0.075 3.888 0.210 1.00 0.00 N ATOM 487 CA ALA A 30 -0.405 4.998 -0.710 1.00 0.00 C ATOM 488 C ALA A 30 0.814 5.917 -1.060 1.00 0.00 C ATOM 489 O ALA A 30 1.414 6.463 -0.133 1.00 0.00 O ATOM 490 CB ALA A 30 -1.491 5.833 -0.015 1.00 0.00 C ATOM 0 H ALA A 30 -0.181 4.124 1.197 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.733 4.574 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.772 6.670 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.365 5.210 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.107 6.213 0.932 1.00 0.00 H new ATOM 496 N PRO A 31 1.152 6.176 -2.347 1.00 0.00 N ATOM 497 CA PRO A 31 2.173 7.219 -2.711 1.00 0.00 C ATOM 498 C PRO A 31 1.514 8.581 -3.096 1.00 0.00 C ATOM 499 O PRO A 31 0.852 9.208 -2.259 1.00 0.00 O ATOM 500 CB PRO A 31 2.971 6.434 -3.785 1.00 0.00 C ATOM 501 CG PRO A 31 1.890 5.640 -4.548 1.00 0.00 C ATOM 502 CD PRO A 31 0.928 5.195 -3.438 1.00 0.00 C ATOM 0 HA PRO A 31 2.833 7.587 -1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.515 7.106 -4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.707 5.771 -3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.387 6.258 -5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.316 4.787 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.107 5.208 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.142 4.178 -3.109 1.00 0.00 H new ATOM 510 N ILE A 32 1.710 9.040 -4.339 1.00 0.00 N ATOM 511 CA ILE A 32 1.283 10.372 -4.823 1.00 0.00 C ATOM 512 C ILE A 32 0.048 10.248 -5.767 1.00 0.00 C ATOM 513 O ILE A 32 0.052 9.462 -6.722 1.00 0.00 O ATOM 514 CB ILE A 32 2.453 11.163 -5.549 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.134 10.428 -6.721 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.480 11.617 -4.499 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.204 11.213 -7.476 1.00 0.00 C ATOM 0 H ILE A 32 2.180 8.488 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 32 1.003 10.949 -3.941 1.00 0.00 H new ATOM 0 HB ILE A 32 1.982 12.021 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.587 9.514 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.364 10.128 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.287 12.161 -4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.994 12.268 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.889 10.745 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.611 10.596 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.762 12.114 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.004 11.491 -6.789 1.00 0.00 H new ATOM 529 N LYS A 33 -0.970 11.095 -5.549 1.00 0.00 N ATOM 530 CA LYS A 33 -2.085 11.260 -6.537 1.00 0.00 C ATOM 531 C LYS A 33 -1.747 12.085 -7.836 1.00 0.00 C ATOM 532 O LYS A 33 -2.509 12.025 -8.801 1.00 0.00 O ATOM 533 CB LYS A 33 -3.305 11.814 -5.755 1.00 0.00 C ATOM 534 CG LYS A 33 -4.666 11.740 -6.479 1.00 0.00 C ATOM 535 CD LYS A 33 -5.252 10.321 -6.599 1.00 0.00 C ATOM 536 CE LYS A 33 -6.516 10.025 -5.772 1.00 0.00 C ATOM 537 NZ LYS A 33 -6.291 10.150 -4.307 1.00 0.00 N ATOM 0 H LYS A 33 -1.058 11.675 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.303 10.282 -6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.386 11.268 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.107 12.856 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.380 12.370 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.554 12.158 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.480 10.134 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.480 9.608 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.309 10.709 -6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.863 9.016 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.200 10.074 -3.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.656 9.391 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.859 11.073 -4.100 1.00 0.00 H new ATOM 551 N TYR A 34 -0.609 12.797 -7.879 1.00 0.00 N ATOM 552 CA TYR A 34 -0.057 13.385 -9.138 1.00 0.00 C ATOM 553 C TYR A 34 0.342 12.343 -10.246 1.00 0.00 C ATOM 554 O TYR A 34 0.015 12.561 -11.412 1.00 0.00 O ATOM 555 CB TYR A 34 1.120 14.289 -8.695 1.00 0.00 C ATOM 556 CG TYR A 34 1.640 15.275 -9.750 1.00 0.00 C ATOM 557 CD1 TYR A 34 1.070 16.554 -9.876 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.717 14.932 -10.579 1.00 0.00 C ATOM 559 CE1 TYR A 34 1.559 17.456 -10.826 1.00 0.00 C ATOM 560 CE2 TYR A 34 3.210 15.839 -11.519 1.00 0.00 C ATOM 561 CZ TYR A 34 2.628 17.100 -11.644 1.00 0.00 C ATOM 562 OH TYR A 34 3.108 17.967 -12.579 1.00 0.00 O ATOM 0 H TYR A 34 -0.039 12.988 -7.055 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.834 13.954 -9.648 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.808 14.856 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.947 13.650 -8.384 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.250 16.842 -9.235 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.170 13.956 -10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.106 18.431 -10.926 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.042 15.564 -12.150 1.00 0.00 H new ATOM 0 HH TYR A 34 3.856 17.551 -13.057 1.00 0.00 H new ATOM 572 N TRP A 35 1.031 11.249 -9.880 1.00 0.00 N ATOM 573 CA TRP A 35 1.390 10.150 -10.822 1.00 0.00 C ATOM 574 C TRP A 35 0.311 9.024 -10.926 1.00 0.00 C ATOM 575 O TRP A 35 -0.019 8.639 -12.049 1.00 0.00 O ATOM 576 CB TRP A 35 2.775 9.652 -10.363 1.00 0.00 C ATOM 577 CG TRP A 35 3.544 8.680 -11.294 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.482 7.265 -11.255 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.569 8.965 -12.203 1.00 0.00 C ATOM 580 NE1 TRP A 35 4.415 6.665 -12.116 1.00 0.00 N ATOM 581 CE2 TRP A 35 5.083 7.729 -12.685 1.00 0.00 C ATOM 582 CE3 TRP A 35 5.163 10.199 -12.624 1.00 0.00 C ATOM 583 CZ2 TRP A 35 6.187 7.720 -13.584 1.00 0.00 C ATOM 584 CZ3 TRP A 35 6.236 10.158 -13.510 1.00 0.00 C ATOM 585 CH2 TRP A 35 6.743 8.932 -13.984 1.00 0.00 C ATOM 0 H TRP A 35 1.359 11.092 -8.927 1.00 0.00 H new ATOM 0 HA TRP A 35 1.429 10.515 -11.848 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.406 10.525 -10.198 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.650 9.161 -9.398 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.795 6.710 -10.633 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.564 5.670 -12.283 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.785 11.143 -12.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.587 6.786 -13.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.688 11.082 -13.840 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.577 8.932 -14.670 1.00 0.00 H new ATOM 596 N LEU A 36 -0.212 8.479 -9.805 1.00 0.00 N ATOM 597 CA LEU A 36 -1.190 7.361 -9.839 1.00 0.00 C ATOM 598 C LEU A 36 -2.645 7.835 -9.493 1.00 0.00 C ATOM 599 O LEU A 36 -2.814 8.484 -8.452 1.00 0.00 O ATOM 600 CB LEU A 36 -0.805 6.245 -8.823 1.00 0.00 C ATOM 601 CG LEU A 36 0.565 5.562 -9.010 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.780 4.536 -7.885 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.704 4.856 -10.363 1.00 0.00 C ATOM 0 H LEU A 36 0.025 8.793 -8.864 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.165 6.976 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.834 6.675 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.575 5.474 -8.861 1.00 0.00 H new ATOM 0 HG LEU A 36 1.320 6.348 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.748 4.051 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.754 5.043 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.009 3.785 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.689 4.395 -10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.063 4.087 -10.453 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.585 5.583 -11.167 1.00 0.00 H new ATOM 615 N PRO A 37 -3.727 7.482 -10.241 1.00 0.00 N ATOM 616 CA PRO A 37 -5.122 7.901 -9.874 1.00 0.00 C ATOM 617 C PRO A 37 -5.787 7.264 -8.622 1.00 0.00 C ATOM 618 O PRO A 37 -6.774 7.822 -8.142 1.00 0.00 O ATOM 619 CB PRO A 37 -5.901 7.652 -11.186 1.00 0.00 C ATOM 620 CG PRO A 37 -5.135 6.515 -11.896 1.00 0.00 C ATOM 621 CD PRO A 37 -3.661 6.785 -11.545 1.00 0.00 C ATOM 0 HA PRO A 37 -5.118 8.934 -9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.933 7.366 -10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.934 8.551 -11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.457 5.535 -11.543 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.299 6.535 -12.973 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.091 5.859 -11.474 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.176 7.400 -12.303 1.00 0.00 H new ATOM 629 N HIS A 38 -5.260 6.159 -8.065 1.00 0.00 N ATOM 630 CA HIS A 38 -5.684 5.640 -6.743 1.00 0.00 C ATOM 631 C HIS A 38 -4.444 5.533 -5.801 1.00 0.00 C ATOM 632 O HIS A 38 -3.736 4.521 -5.804 1.00 0.00 O ATOM 633 CB HIS A 38 -6.379 4.279 -7.004 1.00 0.00 C ATOM 634 CG HIS A 38 -7.128 3.702 -5.790 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.509 2.918 -4.830 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.493 3.879 -5.438 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.539 2.694 -3.957 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.766 3.231 -4.242 1.00 0.00 N ATOM 0 H HIS A 38 -4.533 5.600 -8.511 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.386 6.302 -6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.084 4.397 -7.827 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.628 3.558 -7.328 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.214 4.437 -6.017 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.387 2.107 -3.063 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.640 3.171 -3.719 1.00 0.00 H new ATOM 647 N SER A 39 -4.230 6.548 -4.945 1.00 0.00 N ATOM 648 CA SER A 39 -3.264 6.454 -3.821 1.00 0.00 C ATOM 649 C SER A 39 -3.772 5.520 -2.676 1.00 0.00 C ATOM 650 O SER A 39 -4.578 5.926 -1.833 1.00 0.00 O ATOM 651 CB SER A 39 -2.914 7.861 -3.268 1.00 0.00 C ATOM 652 OG SER A 39 -4.056 8.613 -2.840 1.00 0.00 O ATOM 0 H SER A 39 -4.710 7.446 -5.005 1.00 0.00 H new ATOM 0 HA SER A 39 -2.356 6.004 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.227 7.751 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.388 8.424 -4.039 1.00 0.00 H new ATOM 0 HG SER A 39 -4.675 8.023 -2.362 1.00 0.00 H new ATOM 658 N GLY A 40 -3.260 4.288 -2.686 1.00 0.00 N ATOM 659 CA GLY A 40 -3.580 3.253 -1.684 1.00 0.00 C ATOM 660 C GLY A 40 -3.729 1.887 -2.361 1.00 0.00 C ATOM 661 O GLY A 40 -4.849 1.471 -2.667 1.00 0.00 O ATOM 0 H GLY A 40 -2.602 3.970 -3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.793 3.210 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.503 3.512 -1.165 1.00 0.00 H new ATOM 665 N ALA A 41 -2.592 1.235 -2.640 1.00 0.00 N ATOM 666 CA ALA A 41 -2.550 0.023 -3.484 1.00 0.00 C ATOM 667 C ALA A 41 -2.048 -1.209 -2.690 1.00 0.00 C ATOM 668 O ALA A 41 -0.968 -1.170 -2.087 1.00 0.00 O ATOM 669 CB ALA A 41 -1.600 0.320 -4.658 1.00 0.00 C ATOM 0 H ALA A 41 -1.679 1.527 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.553 -0.217 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.541 -0.553 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.978 1.170 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.607 0.554 -4.273 1.00 0.00 H new ATOM 675 N THR A 42 -2.820 -2.297 -2.738 1.00 0.00 N ATOM 676 CA THR A 42 -2.428 -3.605 -2.163 1.00 0.00 C ATOM 677 C THR A 42 -1.814 -4.518 -3.247 1.00 0.00 C ATOM 678 O THR A 42 -2.476 -4.864 -4.228 1.00 0.00 O ATOM 679 CB THR A 42 -3.629 -4.234 -1.414 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.203 -5.432 -0.769 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.879 -4.587 -2.206 1.00 0.00 C ATOM 0 H THR A 42 -3.741 -2.305 -3.177 1.00 0.00 H new ATOM 0 HA THR A 42 -1.642 -3.465 -1.421 1.00 0.00 H new ATOM 0 HB THR A 42 -3.934 -3.428 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.959 -5.833 -0.292 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.624 -5.017 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.283 -3.687 -2.669 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.627 -5.311 -2.981 1.00 0.00 H new ATOM 689 N TRP A 43 -0.558 -4.929 -3.044 1.00 0.00 N ATOM 690 CA TRP A 43 0.068 -5.994 -3.870 1.00 0.00 C ATOM 691 C TRP A 43 0.415 -7.184 -2.936 1.00 0.00 C ATOM 692 O TRP A 43 1.387 -7.123 -2.176 1.00 0.00 O ATOM 693 CB TRP A 43 1.283 -5.393 -4.595 1.00 0.00 C ATOM 694 CG TRP A 43 1.907 -6.262 -5.741 1.00 0.00 C ATOM 695 CD1 TRP A 43 1.888 -7.685 -5.901 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.691 -5.809 -6.809 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.631 -8.107 -7.010 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.122 -6.942 -7.554 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.123 -4.497 -7.201 1.00 0.00 C ATOM 700 CZ2 TRP A 43 4.007 -6.778 -8.654 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.990 -4.369 -8.282 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.431 -5.497 -8.997 1.00 0.00 C ATOM 0 H TRP A 43 0.052 -4.549 -2.320 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.599 -6.378 -4.642 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.989 -4.431 -5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.059 -5.194 -3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.360 -8.357 -5.241 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.776 -9.061 -7.340 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.781 -3.624 -6.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.346 -7.636 -9.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.330 -3.387 -8.577 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.110 -5.367 -9.827 1.00 0.00 H new ATOM 713 N SER A 44 -0.389 -8.249 -3.031 1.00 0.00 N ATOM 714 CA SER A 44 -0.194 -9.499 -2.262 1.00 0.00 C ATOM 715 C SER A 44 0.493 -10.581 -3.150 1.00 0.00 C ATOM 716 O SER A 44 -0.166 -11.309 -3.900 1.00 0.00 O ATOM 717 CB SER A 44 -1.573 -9.986 -1.746 1.00 0.00 C ATOM 718 OG SER A 44 -2.171 -9.055 -0.839 1.00 0.00 O ATOM 0 H SER A 44 -1.202 -8.275 -3.647 1.00 0.00 H new ATOM 0 HA SER A 44 0.460 -9.315 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.240 -10.145 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.454 -10.949 -1.249 1.00 0.00 H new ATOM 0 HG SER A 44 -3.038 -9.400 -0.540 1.00 0.00 H new ATOM 724 N GLY A 45 1.825 -10.660 -3.065 1.00 0.00 N ATOM 725 CA GLY A 45 2.617 -11.583 -3.910 1.00 0.00 C ATOM 726 C GLY A 45 4.088 -11.169 -3.924 1.00 0.00 C ATOM 727 O GLY A 45 4.868 -11.644 -3.096 1.00 0.00 O ATOM 0 H GLY A 45 2.384 -10.099 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.524 -12.601 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.224 -11.583 -4.927 1.00 0.00 H new ATOM 731 N ARG A 46 4.440 -10.227 -4.819 1.00 0.00 N ATOM 732 CA ARG A 46 5.710 -9.466 -4.685 1.00 0.00 C ATOM 733 C ARG A 46 5.562 -8.376 -3.585 1.00 0.00 C ATOM 734 O ARG A 46 4.646 -7.547 -3.617 1.00 0.00 O ATOM 735 CB ARG A 46 6.111 -8.879 -6.063 1.00 0.00 C ATOM 736 CG ARG A 46 7.484 -8.167 -6.102 1.00 0.00 C ATOM 737 CD ARG A 46 7.435 -6.646 -5.869 1.00 0.00 C ATOM 738 NE ARG A 46 7.366 -5.873 -7.137 1.00 0.00 N ATOM 739 CZ ARG A 46 8.380 -5.226 -7.711 1.00 0.00 C ATOM 740 NH1 ARG A 46 9.618 -5.286 -7.289 1.00 0.00 N ATOM 741 NH2 ARG A 46 8.134 -4.493 -8.756 1.00 0.00 N ATOM 0 H ARG A 46 3.878 -9.973 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 46 6.516 -10.128 -4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.117 -9.686 -6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.344 -8.171 -6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.130 -8.614 -5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.947 -8.356 -7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.568 -6.405 -5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.319 -6.340 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 46 6.463 -5.834 -7.609 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.852 -5.854 -6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.348 -4.765 -7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.183 -4.423 -9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.892 -3.987 -9.214 1.00 0.00 H new ATOM 755 N GLY A 47 6.526 -8.360 -2.654 1.00 0.00 N ATOM 756 CA GLY A 47 6.589 -7.319 -1.609 1.00 0.00 C ATOM 757 C GLY A 47 7.119 -5.972 -2.111 1.00 0.00 C ATOM 758 O GLY A 47 8.317 -5.702 -2.019 1.00 0.00 O ATOM 0 H GLY A 47 7.273 -9.053 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.592 -7.174 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.226 -7.670 -0.797 1.00 0.00 H new ATOM 762 N LYS A 48 6.210 -5.140 -2.626 1.00 0.00 N ATOM 763 CA LYS A 48 6.533 -3.748 -3.030 1.00 0.00 C ATOM 764 C LYS A 48 6.565 -2.779 -1.814 1.00 0.00 C ATOM 765 O LYS A 48 5.572 -2.647 -1.097 1.00 0.00 O ATOM 766 CB LYS A 48 5.571 -3.268 -4.153 1.00 0.00 C ATOM 767 CG LYS A 48 4.080 -3.136 -3.803 1.00 0.00 C ATOM 768 CD LYS A 48 3.603 -1.711 -3.465 1.00 0.00 C ATOM 769 CE LYS A 48 2.158 -1.750 -2.937 1.00 0.00 C ATOM 770 NZ LYS A 48 1.734 -0.451 -2.356 1.00 0.00 N ATOM 0 H LYS A 48 5.235 -5.398 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 48 7.543 -3.741 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.921 -2.297 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.660 -3.960 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.493 -3.507 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.865 -3.784 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.260 -1.267 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.658 -1.080 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.484 -2.019 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.071 -2.529 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.697 -0.427 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.153 -0.340 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.054 0.325 -2.970 1.00 0.00 H new ATOM 784 N ILE A 49 7.691 -2.088 -1.612 1.00 0.00 N ATOM 785 CA ILE A 49 7.792 -0.999 -0.605 1.00 0.00 C ATOM 786 C ILE A 49 8.235 0.280 -1.407 1.00 0.00 C ATOM 787 O ILE A 49 9.412 0.338 -1.789 1.00 0.00 O ATOM 788 CB ILE A 49 8.778 -1.322 0.579 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.480 -2.645 1.344 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.713 -0.170 1.626 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.186 -3.866 0.756 1.00 0.00 C ATOM 0 H ILE A 49 8.554 -2.256 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 49 6.832 -0.856 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 49 9.756 -1.430 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.781 -2.528 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.404 -2.822 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.394 -0.387 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.003 0.768 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.696 -0.084 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.931 -4.750 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.866 -4.009 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.265 -3.711 0.784 1.00 0.00 H new ATOM 803 N PRO A 50 7.400 1.327 -1.663 1.00 0.00 N ATOM 804 CA PRO A 50 7.849 2.564 -2.390 1.00 0.00 C ATOM 805 C PRO A 50 8.649 3.593 -1.541 1.00 0.00 C ATOM 806 O PRO A 50 8.412 4.800 -1.596 1.00 0.00 O ATOM 807 CB PRO A 50 6.491 3.085 -2.933 1.00 0.00 C ATOM 808 CG PRO A 50 5.461 2.709 -1.845 1.00 0.00 C ATOM 809 CD PRO A 50 5.981 1.380 -1.272 1.00 0.00 C ATOM 0 HA PRO A 50 8.595 2.367 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.518 4.162 -3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.244 2.623 -3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.398 3.477 -1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.462 2.597 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.868 1.346 -0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.428 0.532 -1.676 1.00 0.00 H new ATOM 817 N LYS A 51 9.662 3.094 -0.819 1.00 0.00 N ATOM 818 CA LYS A 51 10.666 3.925 -0.120 1.00 0.00 C ATOM 819 C LYS A 51 11.600 4.722 -1.086 1.00 0.00 C ATOM 820 O LYS A 51 11.574 5.945 -0.948 1.00 0.00 O ATOM 821 CB LYS A 51 11.437 3.060 0.908 1.00 0.00 C ATOM 822 CG LYS A 51 11.457 3.603 2.344 1.00 0.00 C ATOM 823 CD LYS A 51 10.326 3.133 3.271 1.00 0.00 C ATOM 824 CE LYS A 51 8.950 3.825 3.168 1.00 0.00 C ATOM 825 NZ LYS A 51 8.011 3.216 2.175 1.00 0.00 N ATOM 0 H LYS A 51 9.813 2.092 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 51 10.134 4.704 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.997 2.063 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.466 2.950 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.408 3.327 2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.430 4.692 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.175 2.068 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.674 3.240 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.477 3.809 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.105 4.872 2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.349 3.941 1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.553 2.836 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.478 2.446 2.628 1.00 0.00 H new ATOM 839 N PRO A 52 12.364 4.173 -2.079 1.00 0.00 N ATOM 840 CA PRO A 52 13.094 5.026 -3.078 1.00 0.00 C ATOM 841 C PRO A 52 12.235 5.888 -4.047 1.00 0.00 C ATOM 842 O PRO A 52 12.715 6.943 -4.469 1.00 0.00 O ATOM 843 CB PRO A 52 13.998 3.989 -3.788 1.00 0.00 C ATOM 844 CG PRO A 52 13.189 2.674 -3.730 1.00 0.00 C ATOM 845 CD PRO A 52 12.528 2.723 -2.338 1.00 0.00 C ATOM 0 HA PRO A 52 13.632 5.835 -2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.207 4.282 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.959 3.887 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.446 2.624 -4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.833 1.801 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.570 2.204 -2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.153 2.249 -1.581 1.00 0.00 H new ATOM 853 N PHE A 53 10.976 5.500 -4.349 1.00 0.00 N ATOM 854 CA PHE A 53 10.022 6.390 -5.062 1.00 0.00 C ATOM 855 C PHE A 53 9.562 7.593 -4.197 1.00 0.00 C ATOM 856 O PHE A 53 9.865 8.721 -4.584 1.00 0.00 O ATOM 857 CB PHE A 53 8.868 5.541 -5.642 1.00 0.00 C ATOM 858 CG PHE A 53 7.837 6.345 -6.462 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.142 6.816 -7.752 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.585 6.651 -5.914 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.195 7.531 -8.489 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.639 7.369 -6.648 1.00 0.00 C ATOM 863 CZ PHE A 53 5.940 7.792 -7.943 1.00 0.00 C ATOM 0 H PHE A 53 10.595 4.584 -4.114 1.00 0.00 H new ATOM 0 HA PHE A 53 10.531 6.863 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.290 4.761 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.352 5.042 -4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.116 6.623 -8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.348 6.328 -4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.436 7.881 -9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.676 7.596 -6.214 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.199 8.322 -8.523 1.00 0.00 H new ATOM 873 N GLU A 54 8.877 7.384 -3.056 1.00 0.00 N ATOM 874 CA GLU A 54 8.434 8.515 -2.182 1.00 0.00 C ATOM 875 C GLU A 54 9.569 9.360 -1.503 1.00 0.00 C ATOM 876 O GLU A 54 9.330 10.530 -1.194 1.00 0.00 O ATOM 877 CB GLU A 54 7.383 7.953 -1.194 1.00 0.00 C ATOM 878 CG GLU A 54 6.517 9.027 -0.504 1.00 0.00 C ATOM 879 CD GLU A 54 5.303 8.491 0.244 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.445 7.542 1.038 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.197 9.059 0.068 1.00 0.00 O ATOM 0 H GLU A 54 8.616 6.460 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 54 7.987 9.277 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.729 7.266 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.897 7.371 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.142 9.581 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.176 9.737 -1.258 1.00 0.00 H new ATOM 888 N ALA A 55 10.785 8.805 -1.341 1.00 0.00 N ATOM 889 CA ALA A 55 11.998 9.579 -1.010 1.00 0.00 C ATOM 890 C ALA A 55 12.524 10.480 -2.156 1.00 0.00 C ATOM 891 O ALA A 55 12.669 11.675 -1.909 1.00 0.00 O ATOM 892 CB ALA A 55 13.082 8.599 -0.542 1.00 0.00 C ATOM 0 H ALA A 55 10.955 7.804 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 55 11.728 10.278 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.988 9.151 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.730 8.061 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.299 7.888 -1.339 1.00 0.00 H new ATOM 898 N TRP A 56 12.771 9.979 -3.389 1.00 0.00 N ATOM 899 CA TRP A 56 13.130 10.871 -4.535 1.00 0.00 C ATOM 900 C TRP A 56 11.990 11.845 -4.979 1.00 0.00 C ATOM 901 O TRP A 56 12.268 13.024 -5.212 1.00 0.00 O ATOM 902 CB TRP A 56 13.705 10.042 -5.705 1.00 0.00 C ATOM 903 CG TRP A 56 14.656 10.908 -6.608 1.00 0.00 C ATOM 904 CD1 TRP A 56 16.055 11.066 -6.423 1.00 0.00 C ATOM 905 CD2 TRP A 56 14.341 11.770 -7.672 1.00 0.00 C ATOM 906 NE1 TRP A 56 16.611 11.995 -7.318 1.00 0.00 N ATOM 907 CE2 TRP A 56 15.539 12.424 -8.075 1.00 0.00 C ATOM 908 CE3 TRP A 56 13.099 12.103 -8.305 1.00 0.00 C ATOM 909 CZ2 TRP A 56 15.500 13.414 -9.099 1.00 0.00 C ATOM 910 CZ3 TRP A 56 13.094 13.072 -9.303 1.00 0.00 C ATOM 911 CH2 TRP A 56 14.280 13.721 -9.696 1.00 0.00 C ATOM 0 H TRP A 56 12.732 8.987 -3.621 1.00 0.00 H new ATOM 0 HA TRP A 56 13.912 11.539 -4.174 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.254 9.186 -5.312 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.888 9.646 -6.309 1.00 0.00 H new ATOM 0 HD1 TRP A 56 16.627 10.532 -5.678 1.00 0.00 H new ATOM 0 HE1 TRP A 56 17.586 12.287 -7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 56 12.183 11.610 -8.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 16.403 13.919 -9.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 12.163 13.331 -9.785 1.00 0.00 H new ATOM 0 HH2 TRP A 56 14.243 14.470 -10.474 1.00 0.00 H new ATOM 922 N ILE A 57 10.720 11.402 -4.988 1.00 0.00 N ATOM 923 CA ILE A 57 9.538 12.327 -5.021 1.00 0.00 C ATOM 924 C ILE A 57 9.364 13.278 -3.751 1.00 0.00 C ATOM 925 O ILE A 57 8.478 14.135 -3.756 1.00 0.00 O ATOM 926 CB ILE A 57 8.297 11.459 -5.400 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.334 10.830 -6.831 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.914 12.078 -5.200 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.356 11.782 -8.021 1.00 0.00 C ATOM 0 H ILE A 57 10.470 10.413 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 57 9.693 13.091 -5.783 1.00 0.00 H new ATOM 0 HB ILE A 57 8.417 10.681 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.216 10.192 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.464 10.182 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.148 11.364 -5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.777 12.331 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.829 12.981 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.381 11.207 -8.947 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.462 12.405 -8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.241 12.416 -7.964 1.00 0.00 H new ATOM 941 N GLY A 58 10.224 13.212 -2.724 1.00 0.00 N ATOM 942 CA GLY A 58 10.349 14.269 -1.694 1.00 0.00 C ATOM 943 C GLY A 58 11.682 15.044 -1.608 1.00 0.00 C ATOM 944 O GLY A 58 11.634 16.193 -1.171 1.00 0.00 O ATOM 0 H GLY A 58 10.856 12.425 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.552 14.993 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.166 13.811 -0.722 1.00 0.00 H new ATOM 948 N THR A 59 12.832 14.473 -2.009 1.00 0.00 N ATOM 949 CA THR A 59 14.180 15.123 -1.884 1.00 0.00 C ATOM 950 C THR A 59 14.277 16.602 -2.417 1.00 0.00 C ATOM 951 O THR A 59 14.804 17.471 -1.722 1.00 0.00 O ATOM 952 CB THR A 59 15.265 14.230 -2.592 1.00 0.00 C ATOM 953 OG1 THR A 59 15.174 12.865 -2.203 1.00 0.00 O ATOM 954 CG2 THR A 59 16.702 14.623 -2.264 1.00 0.00 C ATOM 0 H THR A 59 12.869 13.546 -2.432 1.00 0.00 H new ATOM 0 HA THR A 59 14.360 15.198 -0.812 1.00 0.00 H new ATOM 0 HB THR A 59 15.052 14.382 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.248 12.559 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.389 13.961 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.878 15.652 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.866 14.538 -1.190 1.00 0.00 H new ATOM 962 N ALA A 60 13.742 16.842 -3.625 1.00 0.00 N ATOM 963 CA ALA A 60 13.465 18.208 -4.137 1.00 0.00 C ATOM 964 C ALA A 60 11.972 18.486 -4.520 1.00 0.00 C ATOM 965 O ALA A 60 11.536 19.634 -4.413 1.00 0.00 O ATOM 966 CB ALA A 60 14.395 18.470 -5.333 1.00 0.00 C ATOM 0 H ALA A 60 13.487 16.101 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 60 13.661 18.900 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.209 19.469 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.433 18.395 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.203 17.732 -6.112 1.00 0.00 H new ATOM 972 N ALA A 61 11.194 17.476 -4.944 1.00 0.00 N ATOM 973 CA ALA A 61 9.772 17.648 -5.304 1.00 0.00 C ATOM 974 C ALA A 61 8.754 17.984 -4.180 1.00 0.00 C ATOM 975 O ALA A 61 7.714 18.558 -4.503 1.00 0.00 O ATOM 976 CB ALA A 61 9.360 16.378 -6.050 1.00 0.00 C ATOM 0 H ALA A 61 11.530 16.518 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 61 9.725 18.558 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.312 16.451 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.977 16.263 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.496 15.514 -5.400 1.00 0.00 H new ATOM 982 N TYR A 62 9.057 17.696 -2.902 1.00 0.00 N ATOM 983 CA TYR A 62 8.218 18.120 -1.743 1.00 0.00 C ATOM 984 C TYR A 62 7.771 19.611 -1.724 1.00 0.00 C ATOM 985 O TYR A 62 6.584 19.850 -1.527 1.00 0.00 O ATOM 986 CB TYR A 62 8.925 17.745 -0.419 1.00 0.00 C ATOM 987 CG TYR A 62 8.081 17.787 0.876 1.00 0.00 C ATOM 988 CD1 TYR A 62 6.842 17.120 0.992 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.585 18.447 2.005 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.141 17.121 2.202 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.881 18.448 3.211 1.00 0.00 C ATOM 992 CZ TYR A 62 6.661 17.784 3.311 1.00 0.00 C ATOM 993 OH TYR A 62 5.987 17.790 4.495 1.00 0.00 O ATOM 0 H TYR A 62 9.885 17.165 -2.633 1.00 0.00 H new ATOM 0 HA TYR A 62 7.284 17.570 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.328 16.738 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.774 18.416 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.431 16.603 0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.532 18.962 1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.194 16.607 2.277 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.284 18.965 4.069 1.00 0.00 H new ATOM 0 HH TYR A 62 5.022 17.786 4.322 1.00 0.00 H new ATOM 1003 N THR A 63 8.666 20.577 -1.987 1.00 0.00 N ATOM 1004 CA THR A 63 8.259 22.003 -2.162 1.00 0.00 C ATOM 1005 C THR A 63 7.264 22.307 -3.330 1.00 0.00 C ATOM 1006 O THR A 63 6.336 23.096 -3.136 1.00 0.00 O ATOM 1007 CB THR A 63 9.508 22.921 -2.140 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.088 24.273 -2.017 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.451 22.855 -3.333 1.00 0.00 C ATOM 0 H THR A 63 9.668 20.412 -2.084 1.00 0.00 H new ATOM 0 HA THR A 63 7.638 22.240 -1.298 1.00 0.00 H new ATOM 0 HB THR A 63 10.082 22.545 -1.293 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.873 24.859 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.278 23.549 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.841 21.842 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.910 23.127 -4.240 1.00 0.00 H new ATOM 1017 N ALA A 64 7.410 21.647 -4.498 1.00 0.00 N ATOM 1018 CA ALA A 64 6.381 21.709 -5.573 1.00 0.00 C ATOM 1019 C ALA A 64 5.052 20.966 -5.234 1.00 0.00 C ATOM 1020 O ALA A 64 3.971 21.538 -5.390 1.00 0.00 O ATOM 1021 CB ALA A 64 7.013 21.171 -6.868 1.00 0.00 C ATOM 0 H ALA A 64 8.219 21.069 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 64 6.081 22.750 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.279 21.206 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.873 21.785 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.335 20.141 -6.715 1.00 0.00 H new ATOM 1027 N TRP A 65 5.151 19.722 -4.742 1.00 0.00 N ATOM 1028 CA TRP A 65 4.013 18.942 -4.205 1.00 0.00 C ATOM 1029 C TRP A 65 3.183 19.604 -3.055 1.00 0.00 C ATOM 1030 O TRP A 65 1.957 19.500 -3.067 1.00 0.00 O ATOM 1031 CB TRP A 65 4.588 17.560 -3.784 1.00 0.00 C ATOM 1032 CG TRP A 65 3.661 16.396 -4.224 1.00 0.00 C ATOM 1033 CD1 TRP A 65 3.722 15.735 -5.472 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.551 15.852 -3.575 1.00 0.00 C ATOM 1035 NE1 TRP A 65 2.679 14.815 -5.629 1.00 0.00 N ATOM 1036 CE2 TRP A 65 1.963 14.903 -4.453 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.949 16.125 -2.308 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 0.771 14.227 -4.073 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.788 15.441 -1.961 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.208 14.498 -2.831 1.00 0.00 C ATOM 0 H TRP A 65 6.036 19.217 -4.703 1.00 0.00 H new ATOM 0 HA TRP A 65 3.266 18.867 -4.995 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.575 17.426 -4.226 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.717 17.534 -2.702 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.483 15.918 -6.216 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.491 14.215 -6.432 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.386 16.847 -1.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.310 13.513 -4.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.323 15.637 -1.006 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.688 13.977 -2.529 1.00 0.00 H new ATOM 1051 N LYS A 66 3.843 20.294 -2.120 1.00 0.00 N ATOM 1052 CA LYS A 66 3.200 21.143 -1.087 1.00 0.00 C ATOM 1053 C LYS A 66 2.433 22.400 -1.599 1.00 0.00 C ATOM 1054 O LYS A 66 1.381 22.707 -1.038 1.00 0.00 O ATOM 1055 CB LYS A 66 4.299 21.547 -0.065 1.00 0.00 C ATOM 1056 CG LYS A 66 4.710 20.434 0.917 1.00 0.00 C ATOM 1057 CD LYS A 66 3.712 20.109 2.030 1.00 0.00 C ATOM 1058 CE LYS A 66 3.526 21.207 3.078 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.409 20.796 3.959 1.00 0.00 N ATOM 0 H LYS A 66 4.861 20.284 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 66 2.409 20.541 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.183 21.873 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.945 22.404 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.893 19.524 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.656 20.717 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.744 19.893 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.038 19.199 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.440 21.344 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.306 22.161 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.288 21.498 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.533 20.733 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.621 19.868 4.378 1.00 0.00 H new ATOM 1073 N ALA A 67 2.899 23.098 -2.656 1.00 0.00 N ATOM 1074 CA ALA A 67 2.038 24.056 -3.404 1.00 0.00 C ATOM 1075 C ALA A 67 0.795 23.431 -4.130 1.00 0.00 C ATOM 1076 O ALA A 67 -0.273 24.043 -4.122 1.00 0.00 O ATOM 1077 CB ALA A 67 2.928 24.826 -4.394 1.00 0.00 C ATOM 0 H ALA A 67 3.852 23.023 -3.012 1.00 0.00 H new ATOM 0 HA ALA A 67 1.591 24.719 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.319 25.535 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.700 25.365 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.396 24.124 -5.084 1.00 0.00 H new ATOM 1083 N LYS A 68 0.930 22.238 -4.737 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.208 21.516 -5.381 1.00 0.00 C ATOM 1085 C LYS A 68 -1.204 20.735 -4.457 1.00 0.00 C ATOM 1086 O LYS A 68 -2.342 20.517 -4.877 1.00 0.00 O ATOM 1087 CB LYS A 68 0.425 20.542 -6.424 1.00 0.00 C ATOM 1088 CG LYS A 68 0.891 21.254 -7.717 1.00 0.00 C ATOM 1089 CD LYS A 68 2.215 20.682 -8.239 1.00 0.00 C ATOM 1090 CE LYS A 68 2.746 21.296 -9.546 1.00 0.00 C ATOM 1091 NZ LYS A 68 2.985 22.768 -9.439 1.00 0.00 N ATOM 0 H LYS A 68 1.819 21.742 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.850 22.287 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.276 20.035 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.303 19.773 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.124 21.152 -8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.008 22.320 -7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.973 20.810 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.091 19.610 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.677 20.801 -9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.033 21.106 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.342 23.129 -10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.093 23.248 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.686 22.953 -8.694 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.788 20.264 -3.280 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.618 19.420 -2.378 1.00 0.00 C ATOM 1107 C HIS A 69 -1.236 19.690 -0.875 1.00 0.00 C ATOM 1108 O HIS A 69 -0.074 20.012 -0.616 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.369 17.931 -2.713 1.00 0.00 C ATOM 1110 CG HIS A 69 -2.174 17.386 -3.896 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.543 17.181 -3.849 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -1.679 16.998 -5.161 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -3.778 16.680 -5.101 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -2.714 16.524 -5.951 1.00 0.00 N ATOM 0 H HIS A 69 0.144 20.453 -2.910 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.670 19.665 -2.523 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.308 17.795 -2.922 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.599 17.333 -1.831 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.645 17.062 -5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.778 16.414 -5.412 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -2.691 16.159 -6.903 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.141 19.564 0.142 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.914 20.206 1.489 1.00 0.00 C ATOM 1125 C PRO A 70 -0.782 19.589 2.335 1.00 0.00 C ATOM 1126 O PRO A 70 0.320 20.145 2.324 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.340 20.249 2.080 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.069 19.050 1.428 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.516 19.038 -0.010 1.00 0.00 C ATOM 0 HA PRO A 70 -1.487 21.208 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.322 20.159 3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.838 21.190 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.854 18.117 1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.151 19.181 1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.516 18.033 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.113 19.663 -0.674 1.00 0.00 H new ATOM 1137 N ASP A 71 -0.966 18.454 3.021 1.00 0.00 N ATOM 1138 CA ASP A 71 0.172 17.535 3.325 1.00 0.00 C ATOM 1139 C ASP A 71 -0.230 16.046 3.098 1.00 0.00 C ATOM 1140 O ASP A 71 -0.135 15.213 4.000 1.00 0.00 O ATOM 1141 CB ASP A 71 0.713 17.862 4.732 1.00 0.00 C ATOM 1142 CG ASP A 71 2.158 17.408 4.964 1.00 0.00 C ATOM 1143 OD1 ASP A 71 3.036 17.768 4.150 1.00 0.00 O ATOM 1144 OD2 ASP A 71 2.435 16.731 5.972 1.00 0.00 O ATOM 0 H ASP A 71 -1.869 18.141 3.377 1.00 0.00 H new ATOM 0 HA ASP A 71 0.997 17.693 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.651 18.938 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.071 17.391 5.476 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.660 15.708 1.866 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.160 14.338 1.569 1.00 0.00 C ATOM 1151 C GLU A 72 -0.091 13.226 1.329 1.00 0.00 C ATOM 1152 O GLU A 72 -0.370 12.079 1.656 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.190 14.381 0.401 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.517 13.695 0.767 1.00 0.00 C ATOM 1155 CD GLU A 72 -4.476 14.522 1.601 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -4.766 15.667 1.203 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -4.989 14.016 2.621 1.00 0.00 O ATOM 0 H GLU A 72 -0.674 16.346 1.070 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.635 14.026 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.383 15.418 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.762 13.895 -0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.022 13.406 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.293 12.776 1.309 1.00 0.00 H new ATOM 1164 N LYS A 73 1.075 13.521 0.736 1.00 0.00 N ATOM 1165 CA LYS A 73 2.194 12.541 0.586 1.00 0.00 C ATOM 1166 C LYS A 73 3.069 12.503 1.872 1.00 0.00 C ATOM 1167 O LYS A 73 3.436 13.553 2.411 1.00 0.00 O ATOM 1168 CB LYS A 73 3.014 12.978 -0.653 1.00 0.00 C ATOM 1169 CG LYS A 73 4.166 12.045 -1.058 1.00 0.00 C ATOM 1170 CD LYS A 73 5.334 12.774 -1.736 1.00 0.00 C ATOM 1171 CE LYS A 73 6.649 12.905 -0.941 1.00 0.00 C ATOM 1172 NZ LYS A 73 6.483 13.549 0.389 1.00 0.00 N ATOM 0 H LYS A 73 1.282 14.439 0.343 1.00 0.00 H new ATOM 0 HA LYS A 73 1.814 11.529 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.334 13.073 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.425 13.969 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.535 11.530 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.783 11.281 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.556 12.258 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.998 13.777 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.080 11.913 -0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.362 13.484 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.137 14.354 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.505 13.886 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.691 12.858 1.138 1.00 0.00 H new ATOM 1186 N PHE A 74 3.466 11.295 2.306 1.00 0.00 N ATOM 1187 CA PHE A 74 4.310 11.120 3.523 1.00 0.00 C ATOM 1188 C PHE A 74 5.707 11.833 3.418 1.00 0.00 C ATOM 1189 O PHE A 74 6.345 11.684 2.368 1.00 0.00 O ATOM 1190 CB PHE A 74 4.505 9.596 3.743 1.00 0.00 C ATOM 1191 CG PHE A 74 4.846 9.229 5.197 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.812 8.967 6.106 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.176 9.173 5.652 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.094 8.658 7.437 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.457 8.874 6.988 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.415 8.615 7.876 1.00 0.00 C ATOM 0 H PHE A 74 3.222 10.421 1.840 1.00 0.00 H new ATOM 0 HA PHE A 74 3.800 11.587 4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.595 9.074 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.302 9.241 3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.785 9.005 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.986 9.363 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.288 8.452 8.126 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.480 8.844 7.332 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.632 8.380 8.908 1.00 0.00 H new ATOM 1206 N PRO A 75 6.223 12.593 4.419 1.00 0.00 N ATOM 1207 CA PRO A 75 7.542 13.305 4.298 1.00 0.00 C ATOM 1208 C PRO A 75 8.785 12.382 4.407 1.00 0.00 C ATOM 1209 O PRO A 75 9.476 12.318 5.426 1.00 0.00 O ATOM 1210 CB PRO A 75 7.422 14.387 5.402 1.00 0.00 C ATOM 1211 CG PRO A 75 6.522 13.741 6.477 1.00 0.00 C ATOM 1212 CD PRO A 75 5.490 12.951 5.653 1.00 0.00 C ATOM 0 HA PRO A 75 7.718 13.729 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.399 14.651 5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.980 15.304 5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.092 13.089 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.044 14.493 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.147 12.064 6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.608 13.553 5.434 1.00 0.00 H new ATOM 1220 N ALA A 76 9.057 11.683 3.296 1.00 0.00 N ATOM 1221 CA ALA A 76 10.170 10.720 3.198 1.00 0.00 C ATOM 1222 C ALA A 76 11.460 11.350 2.600 1.00 0.00 C ATOM 1223 O ALA A 76 11.431 12.097 1.614 1.00 0.00 O ATOM 1224 CB ALA A 76 9.661 9.557 2.332 1.00 0.00 C ATOM 0 H ALA A 76 8.513 11.767 2.438 1.00 0.00 H new ATOM 0 HA ALA A 76 10.459 10.380 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.448 8.811 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.792 9.102 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.381 9.932 1.347 1.00 0.00 H new ATOM 1230 N PHE A 77 12.591 11.005 3.216 1.00 0.00 N ATOM 1231 CA PHE A 77 13.947 11.416 2.768 1.00 0.00 C ATOM 1232 C PHE A 77 14.767 10.202 2.196 1.00 0.00 C ATOM 1233 O PHE A 77 14.450 9.054 2.538 1.00 0.00 O ATOM 1234 CB PHE A 77 14.648 12.118 3.970 1.00 0.00 C ATOM 1235 CG PHE A 77 15.176 11.220 5.105 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.333 10.791 6.143 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.508 10.771 5.091 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.806 9.927 7.132 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.979 9.906 6.079 1.00 0.00 C ATOM 1240 CZ PHE A 77 16.128 9.486 7.098 1.00 0.00 C ATOM 0 H PHE A 77 12.605 10.424 4.054 1.00 0.00 H new ATOM 0 HA PHE A 77 13.878 12.117 1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.486 12.696 3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.944 12.829 4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.309 11.133 6.176 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.174 11.099 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 77 14.148 9.600 7.923 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.003 9.562 6.054 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.493 8.817 7.864 1.00 0.00 H new ATOM 1250 N PRO A 78 15.847 10.378 1.390 1.00 0.00 N ATOM 1251 CA PRO A 78 16.692 9.226 0.924 1.00 0.00 C ATOM 1252 C PRO A 78 17.668 8.700 2.014 1.00 0.00 C ATOM 1253 O PRO A 78 18.738 9.270 2.247 1.00 0.00 O ATOM 1254 CB PRO A 78 17.392 9.840 -0.320 1.00 0.00 C ATOM 1255 CG PRO A 78 17.520 11.345 0.013 1.00 0.00 C ATOM 1256 CD PRO A 78 16.216 11.665 0.764 1.00 0.00 C ATOM 0 HA PRO A 78 16.126 8.323 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.368 9.387 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.805 9.682 -1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.396 11.546 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.620 11.948 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.365 12.445 1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.439 12.017 0.085 1.00 0.00 H new ATOM 1264 N GLY A 79 17.267 7.601 2.675 1.00 0.00 N ATOM 1265 CA GLY A 79 18.032 7.010 3.793 1.00 0.00 C ATOM 1266 C GLY A 79 18.393 5.553 3.535 1.00 0.00 C ATOM 1267 O GLY A 79 18.019 4.633 4.261 1.00 0.00 O ATOM 0 H GLY A 79 16.408 7.097 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.944 7.586 3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.446 7.081 4.710 1.00 0.00 H new TER 1271 GLY A 79