USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 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 2 ASN : amide:sc= 1.04 K(o=3.5,f=-5.9!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -173:sc= 2.48 (180deg=1.15) USER MOD Single : A 1 PHE N :NH3+ -114:sc= 0.00962 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 1.49 (180deg=1.49) 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+ 168:sc= 1.29 (180deg=1.16) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -160: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) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.075 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0.933 (180deg=0.684) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= 0.316 (180deg=0.22) USER MOD Single : A 59 THR OG1 : rot 54:sc= 0.249 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 1.87 (180deg=1.81) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 0.0906 (180deg=-0.0294) USER MOD Single : A 69 HIS : no HD1:sc= -0.054 K(o=-0.054,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= -1.45! (180deg=-2.64!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -13.502 11.939 -0.821 1.00 0.00 N ATOM 2 CA PHE A 1 -12.742 12.928 -1.627 1.00 0.00 C ATOM 3 C PHE A 1 -11.546 12.278 -2.390 1.00 0.00 C ATOM 4 O PHE A 1 -11.000 11.241 -1.996 1.00 0.00 O ATOM 5 CB PHE A 1 -12.249 14.101 -0.733 1.00 0.00 C ATOM 6 CG PHE A 1 -13.342 15.120 -0.373 1.00 0.00 C ATOM 7 CD1 PHE A 1 -13.782 16.057 -1.324 1.00 0.00 C ATOM 8 CD2 PHE A 1 -13.912 15.143 0.908 1.00 0.00 C ATOM 9 CE1 PHE A 1 -14.778 16.981 -1.005 1.00 0.00 C ATOM 10 CE2 PHE A 1 -14.906 16.071 1.228 1.00 0.00 C ATOM 11 CZ PHE A 1 -15.339 16.986 0.270 1.00 0.00 C ATOM 0 H1 PHE A 1 -14.460 11.836 -1.211 1.00 0.00 H new ATOM 0 H2 PHE A 1 -13.016 11.020 -0.850 1.00 0.00 H new ATOM 0 H3 PHE A 1 -13.563 12.267 0.164 1.00 0.00 H new ATOM 0 HA PHE A 1 -13.426 13.321 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -11.832 13.692 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -11.439 14.619 -1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -13.345 16.062 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -13.579 14.437 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -15.114 17.692 -1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -15.339 16.079 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 1 -16.111 17.700 0.517 1.00 0.00 H new ATOM 22 N ASN A 2 -11.107 12.945 -3.472 1.00 0.00 N ATOM 23 CA ASN A 2 -9.863 12.566 -4.202 1.00 0.00 C ATOM 24 C ASN A 2 -8.539 12.716 -3.380 1.00 0.00 C ATOM 25 O ASN A 2 -7.697 11.818 -3.425 1.00 0.00 O ATOM 26 CB ASN A 2 -9.826 13.388 -5.517 1.00 0.00 C ATOM 27 CG ASN A 2 -8.881 12.853 -6.583 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.658 11.652 -6.719 1.00 0.00 O ATOM 29 ND2 ASN A 2 -8.312 13.707 -7.396 1.00 0.00 N ATOM 0 H ASN A 2 -11.589 13.752 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 2 -9.906 11.496 -4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.833 13.427 -5.932 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.539 14.412 -5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.691 13.373 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.490 14.706 -7.292 1.00 0.00 H new ATOM 36 N VAL A 3 -8.382 13.827 -2.644 1.00 0.00 N ATOM 37 CA VAL A 3 -7.292 13.997 -1.645 1.00 0.00 C ATOM 38 C VAL A 3 -7.509 13.107 -0.383 1.00 0.00 C ATOM 39 O VAL A 3 -8.496 13.275 0.340 1.00 0.00 O ATOM 40 CB VAL A 3 -7.106 15.521 -1.350 1.00 0.00 C ATOM 41 CG1 VAL A 3 -8.271 16.239 -0.647 1.00 0.00 C ATOM 42 CG2 VAL A 3 -5.817 15.787 -0.547 1.00 0.00 C ATOM 0 H VAL A 3 -9.000 14.636 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.349 13.634 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.055 15.947 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.016 17.289 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.168 16.165 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.455 15.772 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.719 16.856 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.864 15.255 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.955 15.438 -1.116 1.00 0.00 H new ATOM 52 N LYS A 4 -6.599 12.148 -0.142 1.00 0.00 N ATOM 53 CA LYS A 4 -6.693 11.233 1.025 1.00 0.00 C ATOM 54 C LYS A 4 -5.282 10.910 1.612 1.00 0.00 C ATOM 55 O LYS A 4 -4.372 10.472 0.901 1.00 0.00 O ATOM 56 CB LYS A 4 -7.420 9.905 0.656 1.00 0.00 C ATOM 57 CG LYS A 4 -8.955 10.047 0.640 1.00 0.00 C ATOM 58 CD LYS A 4 -9.655 8.702 0.392 1.00 0.00 C ATOM 59 CE LYS A 4 -11.192 8.780 0.471 1.00 0.00 C ATOM 60 NZ LYS A 4 -11.669 8.875 1.883 1.00 0.00 N ATOM 0 H LYS A 4 -5.787 11.981 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.279 11.753 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.081 9.571 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.139 9.132 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.291 10.460 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.245 10.755 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.369 8.330 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.299 7.977 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.542 9.647 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.626 7.898 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.708 8.926 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.357 8.036 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.275 9.730 2.326 1.00 0.00 H new ATOM 74 N GLN A 5 -5.157 11.074 2.936 1.00 0.00 N ATOM 75 CA GLN A 5 -3.928 10.735 3.695 1.00 0.00 C ATOM 76 C GLN A 5 -3.531 9.222 3.697 1.00 0.00 C ATOM 77 O GLN A 5 -4.281 8.332 3.285 1.00 0.00 O ATOM 78 CB GLN A 5 -4.111 11.284 5.141 1.00 0.00 C ATOM 79 CG GLN A 5 -3.703 12.760 5.326 1.00 0.00 C ATOM 80 CD GLN A 5 -2.198 13.016 5.320 1.00 0.00 C ATOM 81 OE1 GLN A 5 -1.398 12.295 4.732 1.00 0.00 O ATOM 82 NE2 GLN A 5 -1.772 14.085 5.948 1.00 0.00 N ATOM 0 H GLN A 5 -5.905 11.447 3.521 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.086 11.205 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.156 11.171 5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.525 10.671 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.161 13.351 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.114 13.120 6.269 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.434 14.687 6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.778 14.315 5.947 1.00 0.00 H new ATOM 91 N LYS A 6 -2.280 8.968 4.098 1.00 0.00 N ATOM 92 CA LYS A 6 -1.564 7.720 3.748 1.00 0.00 C ATOM 93 C LYS A 6 -1.979 6.493 4.613 1.00 0.00 C ATOM 94 O LYS A 6 -2.156 6.593 5.829 1.00 0.00 O ATOM 95 CB LYS A 6 -0.036 7.943 3.816 1.00 0.00 C ATOM 96 CG LYS A 6 0.560 9.141 3.072 1.00 0.00 C ATOM 97 CD LYS A 6 0.547 9.169 1.544 1.00 0.00 C ATOM 98 CE LYS A 6 -0.808 9.442 0.883 1.00 0.00 C ATOM 99 NZ LYS A 6 -0.598 10.085 -0.438 1.00 0.00 N ATOM 0 H LYS A 6 -1.733 9.611 4.670 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.856 7.476 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.239 8.035 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.448 7.043 3.437 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.036 10.032 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.598 9.238 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.251 9.931 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.918 8.211 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.359 8.509 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.412 10.088 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.519 10.269 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.089 10.983 -0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.038 9.454 -1.046 1.00 0.00 H new ATOM 113 N SER A 7 -2.153 5.346 3.946 1.00 0.00 N ATOM 114 CA SER A 7 -2.646 4.103 4.594 1.00 0.00 C ATOM 115 C SER A 7 -1.602 2.976 4.387 1.00 0.00 C ATOM 116 O SER A 7 -1.468 2.484 3.267 1.00 0.00 O ATOM 117 CB SER A 7 -4.010 3.726 3.957 1.00 0.00 C ATOM 118 OG SER A 7 -4.989 4.737 4.197 1.00 0.00 O ATOM 0 H SER A 7 -1.961 5.243 2.950 1.00 0.00 H new ATOM 0 HA SER A 7 -2.784 4.249 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.886 3.584 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.356 2.777 4.367 1.00 0.00 H new ATOM 0 HG SER A 7 -5.838 4.475 3.784 1.00 0.00 H new ATOM 124 N GLU A 8 -0.870 2.607 5.447 1.00 0.00 N ATOM 125 CA GLU A 8 0.204 1.575 5.380 1.00 0.00 C ATOM 126 C GLU A 8 -0.223 0.333 6.232 1.00 0.00 C ATOM 127 O GLU A 8 -0.125 0.355 7.462 1.00 0.00 O ATOM 128 CB GLU A 8 1.542 2.187 5.891 1.00 0.00 C ATOM 129 CG GLU A 8 2.183 3.206 4.924 1.00 0.00 C ATOM 130 CD GLU A 8 3.472 3.828 5.440 1.00 0.00 C ATOM 131 OE1 GLU A 8 3.425 4.631 6.394 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.543 3.539 4.865 1.00 0.00 O ATOM 0 H GLU A 8 -0.996 3.007 6.377 1.00 0.00 H new ATOM 0 HA GLU A 8 0.354 1.248 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.363 2.675 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.252 1.380 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.386 2.711 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.465 4.000 4.722 1.00 0.00 H new ATOM 139 N ILE A 9 -0.723 -0.736 5.581 1.00 0.00 N ATOM 140 CA ILE A 9 -1.248 -1.944 6.293 1.00 0.00 C ATOM 141 C ILE A 9 -0.256 -3.150 6.090 1.00 0.00 C ATOM 142 O ILE A 9 0.322 -3.363 5.017 1.00 0.00 O ATOM 143 CB ILE A 9 -2.694 -2.303 5.815 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.737 -1.157 5.949 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.276 -3.591 6.446 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.017 -0.640 7.358 1.00 0.00 C ATOM 0 H ILE A 9 -0.779 -0.798 4.564 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.314 -1.723 7.358 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.531 -2.481 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.399 -0.318 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.678 -1.503 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.280 -3.764 6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.639 -4.439 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.319 -3.478 7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.761 0.156 7.313 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.394 -1.455 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.096 -0.251 7.793 1.00 0.00 H new ATOM 158 N THR A 10 -0.152 -3.957 7.153 1.00 0.00 N ATOM 159 CA THR A 10 0.726 -5.150 7.218 1.00 0.00 C ATOM 160 C THR A 10 0.391 -6.340 6.265 1.00 0.00 C ATOM 161 O THR A 10 -0.692 -6.433 5.676 1.00 0.00 O ATOM 162 CB THR A 10 0.831 -5.552 8.725 1.00 0.00 C ATOM 163 OG1 THR A 10 1.976 -6.375 8.929 1.00 0.00 O ATOM 164 CG2 THR A 10 -0.354 -6.306 9.317 1.00 0.00 C ATOM 0 H THR A 10 -0.682 -3.804 8.011 1.00 0.00 H new ATOM 0 HA THR A 10 1.697 -4.868 6.811 1.00 0.00 H new ATOM 0 HB THR A 10 0.879 -4.590 9.235 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.037 -6.622 9.875 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.158 -6.526 10.366 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.252 -5.693 9.237 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.501 -7.238 8.772 1.00 0.00 H new ATOM 172 N ALA A 11 1.359 -7.258 6.139 1.00 0.00 N ATOM 173 CA ALA A 11 1.271 -8.431 5.255 1.00 0.00 C ATOM 174 C ALA A 11 0.320 -9.557 5.741 1.00 0.00 C ATOM 175 O ALA A 11 0.453 -10.079 6.851 1.00 0.00 O ATOM 176 CB ALA A 11 2.718 -8.928 5.069 1.00 0.00 C ATOM 0 H ALA A 11 2.238 -7.207 6.655 1.00 0.00 H new ATOM 0 HA ALA A 11 0.812 -8.133 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.722 -9.803 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.319 -8.138 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.138 -9.195 6.039 1.00 0.00 H new ATOM 182 N LEU A 12 -0.639 -9.916 4.881 1.00 0.00 N ATOM 183 CA LEU A 12 -1.641 -10.965 5.149 1.00 0.00 C ATOM 184 C LEU A 12 -1.303 -12.280 4.375 1.00 0.00 C ATOM 185 O LEU A 12 -0.762 -12.283 3.264 1.00 0.00 O ATOM 186 CB LEU A 12 -3.034 -10.412 4.710 1.00 0.00 C ATOM 187 CG LEU A 12 -3.978 -9.894 5.814 1.00 0.00 C ATOM 188 CD1 LEU A 12 -4.491 -11.025 6.715 1.00 0.00 C ATOM 189 CD2 LEU A 12 -3.386 -8.760 6.652 1.00 0.00 C ATOM 0 H LEU A 12 -0.746 -9.482 3.964 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.645 -11.213 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.865 -9.599 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.553 -11.202 4.168 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.828 -9.470 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.152 -10.612 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.040 -11.749 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.646 -11.518 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.109 -8.450 7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.476 -9.106 7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.151 -7.914 6.006 1.00 0.00 H new ATOM 201 N VAL A 13 -1.746 -13.393 4.965 1.00 0.00 N ATOM 202 CA VAL A 13 -1.893 -14.699 4.268 1.00 0.00 C ATOM 203 C VAL A 13 -2.879 -14.624 3.055 1.00 0.00 C ATOM 204 O VAL A 13 -3.991 -14.104 3.185 1.00 0.00 O ATOM 205 CB VAL A 13 -2.352 -15.824 5.264 1.00 0.00 C ATOM 206 CG1 VAL A 13 -1.214 -16.251 6.212 1.00 0.00 C ATOM 207 CG2 VAL A 13 -3.612 -15.495 6.094 1.00 0.00 C ATOM 0 H VAL A 13 -2.018 -13.426 5.947 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.907 -14.950 3.876 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.624 -16.650 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.573 -17.030 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.377 -16.634 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.885 -15.391 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.845 -16.334 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.429 -14.605 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.452 -15.314 5.424 1.00 0.00 H new ATOM 217 N LYS A 14 -2.450 -15.114 1.884 1.00 0.00 N ATOM 218 CA LYS A 14 -3.232 -14.935 0.629 1.00 0.00 C ATOM 219 C LYS A 14 -4.427 -15.925 0.515 1.00 0.00 C ATOM 220 O LYS A 14 -4.382 -17.077 0.966 1.00 0.00 O ATOM 221 CB LYS A 14 -2.256 -14.967 -0.572 1.00 0.00 C ATOM 222 CG LYS A 14 -2.880 -14.476 -1.900 1.00 0.00 C ATOM 223 CD LYS A 14 -1.814 -14.282 -2.992 1.00 0.00 C ATOM 224 CE LYS A 14 -2.438 -13.792 -4.309 1.00 0.00 C ATOM 225 NZ LYS A 14 -1.350 -13.440 -5.261 1.00 0.00 N ATOM 0 H LYS A 14 -1.579 -15.632 1.768 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.718 -13.960 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.389 -14.349 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.894 -15.986 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.623 -15.196 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.403 -13.535 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.070 -13.562 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.292 -15.223 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.074 -14.568 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.072 -12.925 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.751 -13.304 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.888 -12.561 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.650 -14.208 -5.287 1.00 0.00 H new ATOM 239 N GLU A 15 -5.501 -15.417 -0.085 1.00 0.00 N ATOM 240 CA GLU A 15 -6.856 -15.990 0.020 1.00 0.00 C ATOM 241 C GLU A 15 -7.079 -17.124 -1.033 1.00 0.00 C ATOM 242 O GLU A 15 -7.144 -16.873 -2.240 1.00 0.00 O ATOM 243 CB GLU A 15 -7.860 -14.813 -0.185 1.00 0.00 C ATOM 244 CG GLU A 15 -7.802 -13.641 0.825 1.00 0.00 C ATOM 245 CD GLU A 15 -6.728 -12.563 0.666 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.819 -12.675 -0.188 1.00 0.00 O ATOM 247 OE2 GLU A 15 -6.791 -11.577 1.433 1.00 0.00 O ATOM 0 H GLU A 15 -5.462 -14.582 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.004 -16.455 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.701 -14.405 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.869 -15.224 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.771 -13.143 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.688 -14.072 1.820 1.00 0.00 H new ATOM 254 N VAL A 16 -7.154 -18.373 -0.555 1.00 0.00 N ATOM 255 CA VAL A 16 -7.161 -19.589 -1.421 1.00 0.00 C ATOM 256 C VAL A 16 -8.571 -20.288 -1.316 1.00 0.00 C ATOM 257 O VAL A 16 -9.179 -20.321 -0.242 1.00 0.00 O ATOM 258 CB VAL A 16 -6.021 -20.623 -1.062 1.00 0.00 C ATOM 259 CG1 VAL A 16 -5.554 -21.384 -2.335 1.00 0.00 C ATOM 260 CG2 VAL A 16 -4.733 -20.060 -0.426 1.00 0.00 C ATOM 0 H VAL A 16 -7.212 -18.583 0.441 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.965 -19.259 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.509 -21.248 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.769 -22.092 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.397 -21.923 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.168 -20.671 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.037 -20.876 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.273 -19.345 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.978 -19.561 0.511 1.00 0.00 H new ATOM 270 N THR A 17 -9.066 -20.869 -2.421 1.00 0.00 N ATOM 271 CA THR A 17 -10.407 -21.540 -2.463 1.00 0.00 C ATOM 272 C THR A 17 -10.552 -22.796 -1.533 1.00 0.00 C ATOM 273 O THR A 17 -11.481 -22.756 -0.719 1.00 0.00 O ATOM 274 CB THR A 17 -10.825 -21.786 -3.943 1.00 0.00 C ATOM 275 OG1 THR A 17 -10.803 -20.567 -4.680 1.00 0.00 O ATOM 276 CG2 THR A 17 -12.235 -22.338 -4.130 1.00 0.00 C ATOM 0 H THR A 17 -8.566 -20.896 -3.310 1.00 0.00 H new ATOM 0 HA THR A 17 -11.126 -20.851 -2.019 1.00 0.00 H new ATOM 0 HB THR A 17 -10.102 -22.522 -4.294 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.067 -20.741 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.434 -22.476 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.322 -23.296 -3.617 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.958 -21.637 -3.713 1.00 0.00 H new ATOM 284 N PRO A 18 -9.732 -23.890 -1.556 1.00 0.00 N ATOM 285 CA PRO A 18 -9.736 -24.903 -0.449 1.00 0.00 C ATOM 286 C PRO A 18 -9.055 -24.412 0.870 1.00 0.00 C ATOM 287 O PRO A 18 -8.338 -23.403 0.826 1.00 0.00 O ATOM 288 CB PRO A 18 -8.974 -26.071 -1.129 1.00 0.00 C ATOM 289 CG PRO A 18 -7.932 -25.387 -2.040 1.00 0.00 C ATOM 290 CD PRO A 18 -8.614 -24.085 -2.498 1.00 0.00 C ATOM 0 HA PRO A 18 -10.734 -25.157 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.493 -26.712 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.650 -26.701 -1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.007 -25.182 -1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.672 -26.019 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.921 -23.244 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.972 -24.166 -3.524 1.00 0.00 H new ATOM 298 N PRO A 19 -9.201 -25.077 2.053 1.00 0.00 N ATOM 299 CA PRO A 19 -8.597 -24.575 3.336 1.00 0.00 C ATOM 300 C PRO A 19 -7.051 -24.710 3.430 1.00 0.00 C ATOM 301 O PRO A 19 -6.493 -25.623 4.043 1.00 0.00 O ATOM 302 CB PRO A 19 -9.391 -25.367 4.406 1.00 0.00 C ATOM 303 CG PRO A 19 -9.817 -26.671 3.694 1.00 0.00 C ATOM 304 CD PRO A 19 -10.122 -26.214 2.259 1.00 0.00 C ATOM 0 HA PRO A 19 -8.690 -23.495 3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.776 -25.577 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.258 -24.804 4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.024 -27.418 3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.691 -27.119 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.942 -27.011 1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.163 -25.912 2.147 1.00 0.00 H new ATOM 312 N ARG A 20 -6.386 -23.733 2.810 1.00 0.00 N ATOM 313 CA ARG A 20 -4.913 -23.603 2.773 1.00 0.00 C ATOM 314 C ARG A 20 -4.515 -22.110 3.033 1.00 0.00 C ATOM 315 O ARG A 20 -5.250 -21.179 2.684 1.00 0.00 O ATOM 316 CB ARG A 20 -4.377 -24.082 1.388 1.00 0.00 C ATOM 317 CG ARG A 20 -3.315 -25.198 1.481 1.00 0.00 C ATOM 318 CD ARG A 20 -3.894 -26.608 1.690 1.00 0.00 C ATOM 319 NE ARG A 20 -4.461 -27.132 0.419 1.00 0.00 N ATOM 320 CZ ARG A 20 -5.115 -28.280 0.283 1.00 0.00 C ATOM 321 NH1 ARG A 20 -5.393 -29.081 1.280 1.00 0.00 N ATOM 322 NH2 ARG A 20 -5.499 -28.630 -0.909 1.00 0.00 N ATOM 0 H ARG A 20 -6.862 -22.986 2.304 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.469 -24.225 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.215 -24.440 0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.949 -23.230 0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.720 -25.194 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.637 -24.971 2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.114 -27.278 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.669 -26.580 2.456 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.337 -26.562 -0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.104 -28.836 2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.899 -29.950 1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.296 -28.029 -1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.003 -29.506 -1.046 1.00 0.00 H new ATOM 336 N LYS A 21 -3.338 -21.892 3.634 1.00 0.00 N ATOM 337 CA LYS A 21 -2.871 -20.525 3.991 1.00 0.00 C ATOM 338 C LYS A 21 -1.473 -20.263 3.367 1.00 0.00 C ATOM 339 O LYS A 21 -0.460 -20.786 3.838 1.00 0.00 O ATOM 340 CB LYS A 21 -2.877 -20.346 5.534 1.00 0.00 C ATOM 341 CG LYS A 21 -4.282 -20.340 6.180 1.00 0.00 C ATOM 342 CD LYS A 21 -5.086 -19.059 5.896 1.00 0.00 C ATOM 343 CE LYS A 21 -6.588 -19.240 6.150 1.00 0.00 C ATOM 344 NZ LYS A 21 -7.306 -17.984 5.789 1.00 0.00 N ATOM 0 H LYS A 21 -2.686 -22.635 3.887 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.553 -19.781 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.290 -21.148 5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.376 -19.410 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.844 -21.200 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.177 -20.462 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.709 -18.251 6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.930 -18.758 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.970 -20.073 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.764 -19.484 7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.325 -18.105 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.948 -17.200 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.147 -17.770 4.784 1.00 0.00 H new ATOM 358 N ALA A 22 -1.438 -19.447 2.300 1.00 0.00 N ATOM 359 CA ALA A 22 -0.185 -19.114 1.586 1.00 0.00 C ATOM 360 C ALA A 22 0.528 -17.872 2.214 1.00 0.00 C ATOM 361 O ALA A 22 -0.068 -16.788 2.182 1.00 0.00 O ATOM 362 CB ALA A 22 -0.575 -18.883 0.117 1.00 0.00 C ATOM 0 H ALA A 22 -2.267 -19.001 1.908 1.00 0.00 H new ATOM 0 HA ALA A 22 0.540 -19.924 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.315 -18.633 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.026 -19.789 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.290 -18.063 0.055 1.00 0.00 H new ATOM 368 N PRO A 23 1.773 -17.950 2.773 1.00 0.00 N ATOM 369 CA PRO A 23 2.422 -16.781 3.464 1.00 0.00 C ATOM 370 C PRO A 23 3.054 -15.743 2.497 1.00 0.00 C ATOM 371 O PRO A 23 4.273 -15.667 2.293 1.00 0.00 O ATOM 372 CB PRO A 23 3.428 -17.493 4.407 1.00 0.00 C ATOM 373 CG PRO A 23 3.832 -18.773 3.640 1.00 0.00 C ATOM 374 CD PRO A 23 2.525 -19.212 2.962 1.00 0.00 C ATOM 0 HA PRO A 23 1.719 -16.142 3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.293 -16.863 4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.972 -17.732 5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.616 -18.573 2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.213 -19.541 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.717 -19.708 2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.971 -19.917 3.583 1.00 0.00 H new ATOM 382 N SER A 24 2.172 -14.931 1.910 1.00 0.00 N ATOM 383 CA SER A 24 2.519 -13.983 0.834 1.00 0.00 C ATOM 384 C SER A 24 3.027 -12.619 1.365 1.00 0.00 C ATOM 385 O SER A 24 2.588 -12.115 2.404 1.00 0.00 O ATOM 386 CB SER A 24 1.237 -13.817 -0.019 1.00 0.00 C ATOM 387 OG SER A 24 1.504 -13.152 -1.251 1.00 0.00 O ATOM 0 H SER A 24 1.185 -14.908 2.167 1.00 0.00 H new ATOM 0 HA SER A 24 3.349 -14.373 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.805 -14.797 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.495 -13.252 0.546 1.00 0.00 H new ATOM 0 HG SER A 24 0.670 -12.784 -1.611 1.00 0.00 H new ATOM 393 N LYS A 25 3.950 -12.002 0.616 1.00 0.00 N ATOM 394 CA LYS A 25 4.466 -10.650 0.953 1.00 0.00 C ATOM 395 C LYS A 25 3.470 -9.569 0.428 1.00 0.00 C ATOM 396 O LYS A 25 3.508 -9.170 -0.738 1.00 0.00 O ATOM 397 CB LYS A 25 5.900 -10.472 0.396 1.00 0.00 C ATOM 398 CG LYS A 25 7.038 -10.978 1.313 1.00 0.00 C ATOM 399 CD LYS A 25 7.084 -12.500 1.521 1.00 0.00 C ATOM 400 CE LYS A 25 8.213 -12.925 2.473 1.00 0.00 C ATOM 401 NZ LYS A 25 8.126 -14.395 2.706 1.00 0.00 N ATOM 0 H LYS A 25 4.359 -12.408 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 25 4.536 -10.530 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.967 -10.993 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.064 -9.414 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.991 -10.656 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.939 -10.497 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.128 -12.839 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.219 -12.992 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.182 -12.669 2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.130 -12.389 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.888 -14.690 3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.205 -14.625 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.225 -14.896 1.800 1.00 0.00 H new ATOM 415 N ALA A 26 2.571 -9.138 1.323 1.00 0.00 N ATOM 416 CA ALA A 26 1.511 -8.165 1.005 1.00 0.00 C ATOM 417 C ALA A 26 1.812 -6.795 1.652 1.00 0.00 C ATOM 418 O ALA A 26 2.171 -6.698 2.829 1.00 0.00 O ATOM 419 CB ALA A 26 0.183 -8.755 1.495 1.00 0.00 C ATOM 0 H ALA A 26 2.556 -9.454 2.293 1.00 0.00 H new ATOM 0 HA ALA A 26 1.457 -7.987 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.627 -8.060 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.004 -9.701 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.235 -8.924 2.571 1.00 0.00 H new ATOM 425 N LYS A 27 1.688 -5.728 0.868 1.00 0.00 N ATOM 426 CA LYS A 27 1.818 -4.346 1.385 1.00 0.00 C ATOM 427 C LYS A 27 0.659 -3.491 0.795 1.00 0.00 C ATOM 428 O LYS A 27 0.510 -3.400 -0.428 1.00 0.00 O ATOM 429 CB LYS A 27 3.198 -3.741 1.036 1.00 0.00 C ATOM 430 CG LYS A 27 4.345 -4.103 1.999 1.00 0.00 C ATOM 431 CD LYS A 27 5.086 -5.410 1.672 1.00 0.00 C ATOM 432 CE LYS A 27 5.477 -6.246 2.907 1.00 0.00 C ATOM 433 NZ LYS A 27 6.482 -5.540 3.754 1.00 0.00 N ATOM 0 H LYS A 27 1.497 -5.782 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 27 1.750 -4.355 2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.474 -4.065 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.102 -2.656 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.067 -3.286 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.941 -4.176 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.457 -6.017 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.989 -5.171 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.587 -6.459 3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.882 -7.205 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.721 -6.132 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.341 -5.359 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.086 -4.636 4.082 1.00 0.00 H new ATOM 447 N ARG A 28 -0.144 -2.871 1.672 1.00 0.00 N ATOM 448 CA ARG A 28 -1.254 -1.976 1.246 1.00 0.00 C ATOM 449 C ARG A 28 -0.789 -0.529 1.573 1.00 0.00 C ATOM 450 O ARG A 28 -0.739 -0.176 2.752 1.00 0.00 O ATOM 451 CB ARG A 28 -2.622 -2.299 1.915 1.00 0.00 C ATOM 452 CG ARG A 28 -2.929 -3.791 2.153 1.00 0.00 C ATOM 453 CD ARG A 28 -4.373 -4.065 2.594 1.00 0.00 C ATOM 454 NE ARG A 28 -4.529 -5.539 2.731 1.00 0.00 N ATOM 455 CZ ARG A 28 -5.681 -6.199 2.782 1.00 0.00 C ATOM 456 NH1 ARG A 28 -6.853 -5.616 2.799 1.00 0.00 N ATOM 457 NH2 ARG A 28 -5.645 -7.500 2.818 1.00 0.00 N ATOM 0 H ARG A 28 -0.053 -2.967 2.683 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.445 -2.116 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.664 -1.783 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.414 -1.881 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.728 -4.344 1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.248 -4.176 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.585 -3.568 3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.078 -3.672 1.862 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.674 -6.092 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.917 -4.598 2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.702 -6.179 2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.748 -7.986 2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.514 -8.033 2.857 1.00 0.00 H new ATOM 471 N GLU A 29 -0.351 0.235 0.564 1.00 0.00 N ATOM 472 CA GLU A 29 0.411 1.492 0.792 1.00 0.00 C ATOM 473 C GLU A 29 -0.037 2.588 -0.220 1.00 0.00 C ATOM 474 O GLU A 29 -0.175 2.326 -1.422 1.00 0.00 O ATOM 475 CB GLU A 29 1.942 1.291 0.648 1.00 0.00 C ATOM 476 CG GLU A 29 2.593 0.353 1.681 1.00 0.00 C ATOM 477 CD GLU A 29 3.987 -0.081 1.267 1.00 0.00 C ATOM 478 OE1 GLU A 29 4.113 -0.695 0.183 1.00 0.00 O ATOM 479 OE2 GLU A 29 4.957 0.180 2.005 1.00 0.00 O ATOM 0 H GLU A 29 -0.506 0.014 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 29 0.197 1.801 1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.146 0.901 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.426 2.266 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.644 0.858 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.965 -0.528 1.815 1.00 0.00 H new ATOM 486 N ALA A 30 -0.217 3.815 0.278 1.00 0.00 N ATOM 487 CA ALA A 30 -0.494 4.983 -0.577 1.00 0.00 C ATOM 488 C ALA A 30 0.779 5.791 -0.979 1.00 0.00 C ATOM 489 O ALA A 30 1.431 6.323 -0.078 1.00 0.00 O ATOM 490 CB ALA A 30 -1.450 5.869 0.244 1.00 0.00 C ATOM 0 H ALA A 30 -0.176 4.030 1.274 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.918 4.650 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.702 6.761 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.360 5.312 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.965 6.161 1.176 1.00 0.00 H new ATOM 496 N PRO A 31 1.136 5.969 -2.279 1.00 0.00 N ATOM 497 CA PRO A 31 2.235 6.909 -2.681 1.00 0.00 C ATOM 498 C PRO A 31 1.699 8.330 -3.002 1.00 0.00 C ATOM 499 O PRO A 31 1.388 9.076 -2.070 1.00 0.00 O ATOM 500 CB PRO A 31 2.917 6.083 -3.797 1.00 0.00 C ATOM 501 CG PRO A 31 1.761 5.335 -4.497 1.00 0.00 C ATOM 502 CD PRO A 31 0.778 5.015 -3.357 1.00 0.00 C ATOM 0 HA PRO A 31 2.966 7.190 -1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.452 6.727 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.646 5.386 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.294 5.952 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.112 4.427 -4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.256 5.146 -3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.880 3.982 -3.023 1.00 0.00 H new ATOM 510 N ILE A 32 1.580 8.714 -4.282 1.00 0.00 N ATOM 511 CA ILE A 32 1.264 10.106 -4.698 1.00 0.00 C ATOM 512 C ILE A 32 0.004 10.146 -5.614 1.00 0.00 C ATOM 513 O ILE A 32 -0.054 9.483 -6.655 1.00 0.00 O ATOM 514 CB ILE A 32 2.489 10.845 -5.376 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.098 10.112 -6.584 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.524 11.245 -4.304 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.307 10.767 -7.241 1.00 0.00 C ATOM 0 H ILE A 32 1.699 8.073 -5.066 1.00 0.00 H new ATOM 0 HA ILE A 32 1.043 10.657 -3.784 1.00 0.00 H new ATOM 0 HB ILE A 32 2.098 11.757 -5.827 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.385 9.110 -6.265 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.321 9.996 -7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.363 11.753 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.058 11.914 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.883 10.351 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.642 10.155 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.032 11.758 -7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.113 10.858 -6.512 1.00 0.00 H new ATOM 529 N LYS A 33 -0.973 10.993 -5.259 1.00 0.00 N ATOM 530 CA LYS A 33 -2.146 11.285 -6.139 1.00 0.00 C ATOM 531 C LYS A 33 -1.869 12.197 -7.384 1.00 0.00 C ATOM 532 O LYS A 33 -2.653 12.163 -8.334 1.00 0.00 O ATOM 533 CB LYS A 33 -3.258 11.841 -5.222 1.00 0.00 C ATOM 534 CG LYS A 33 -4.628 12.116 -5.861 1.00 0.00 C ATOM 535 CD LYS A 33 -5.373 10.899 -6.429 1.00 0.00 C ATOM 536 CE LYS A 33 -5.913 9.945 -5.354 1.00 0.00 C ATOM 537 NZ LYS A 33 -7.271 9.484 -5.742 1.00 0.00 N ATOM 0 H LYS A 33 -0.987 11.495 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.447 10.355 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.403 11.136 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.898 12.771 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.265 12.588 -5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.491 12.839 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.204 11.247 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.701 10.347 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.245 9.091 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.950 10.450 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.687 8.934 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.873 10.308 -5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.205 8.887 -6.591 1.00 0.00 H new ATOM 551 N TYR A 34 -0.777 12.980 -7.387 1.00 0.00 N ATOM 552 CA TYR A 34 -0.316 13.719 -8.599 1.00 0.00 C ATOM 553 C TYR A 34 0.065 12.824 -9.828 1.00 0.00 C ATOM 554 O TYR A 34 -0.338 13.152 -10.945 1.00 0.00 O ATOM 555 CB TYR A 34 0.833 14.645 -8.131 1.00 0.00 C ATOM 556 CG TYR A 34 1.362 15.634 -9.179 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.599 16.743 -9.578 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.628 15.440 -9.760 1.00 0.00 C ATOM 559 CE1 TYR A 34 1.081 17.634 -10.536 1.00 0.00 C ATOM 560 CE2 TYR A 34 3.110 16.338 -10.715 1.00 0.00 C ATOM 561 CZ TYR A 34 2.341 17.435 -11.097 1.00 0.00 C ATOM 562 OH TYR A 34 2.836 18.319 -12.007 1.00 0.00 O ATOM 0 H TYR A 34 -0.188 13.125 -6.567 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.148 14.295 -9.005 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.489 15.211 -7.266 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.662 14.022 -7.795 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.373 16.908 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.230 14.593 -9.466 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.479 18.477 -10.843 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.082 16.181 -11.159 1.00 0.00 H new ATOM 0 HH TYR A 34 3.727 18.028 -12.294 1.00 0.00 H new ATOM 572 N TRP A 35 0.823 11.734 -9.621 1.00 0.00 N ATOM 573 CA TRP A 35 1.134 10.758 -10.700 1.00 0.00 C ATOM 574 C TRP A 35 0.082 9.618 -10.860 1.00 0.00 C ATOM 575 O TRP A 35 -0.286 9.329 -12.000 1.00 0.00 O ATOM 576 CB TRP A 35 2.561 10.243 -10.441 1.00 0.00 C ATOM 577 CG TRP A 35 3.232 9.462 -11.610 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.519 9.962 -12.908 1.00 0.00 C ATOM 579 CD2 TRP A 35 3.764 8.165 -11.605 1.00 0.00 C ATOM 580 NE1 TRP A 35 4.201 9.022 -13.700 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.346 7.923 -12.879 1.00 0.00 C ATOM 582 CE3 TRP A 35 3.836 7.160 -10.587 1.00 0.00 C ATOM 583 CZ2 TRP A 35 5.005 6.687 -13.138 1.00 0.00 C ATOM 584 CZ3 TRP A 35 4.482 5.961 -10.868 1.00 0.00 C ATOM 585 CH2 TRP A 35 5.062 5.726 -12.128 1.00 0.00 C ATOM 0 H TRP A 35 1.236 11.499 -8.718 1.00 0.00 H new ATOM 0 HA TRP A 35 1.081 11.259 -11.667 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.193 11.095 -10.191 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.538 9.595 -9.565 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.245 10.950 -13.247 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.517 9.128 -14.664 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.395 7.331 -9.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.454 6.497 -14.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.539 5.198 -10.106 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.560 4.786 -12.317 1.00 0.00 H new ATOM 596 N LEU A 36 -0.371 8.952 -9.778 1.00 0.00 N ATOM 597 CA LEU A 36 -1.340 7.830 -9.885 1.00 0.00 C ATOM 598 C LEU A 36 -2.784 8.269 -9.466 1.00 0.00 C ATOM 599 O LEU A 36 -2.920 8.883 -8.403 1.00 0.00 O ATOM 600 CB LEU A 36 -0.912 6.641 -8.976 1.00 0.00 C ATOM 601 CG LEU A 36 0.461 5.996 -9.258 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.702 4.862 -8.246 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.595 5.440 -10.681 1.00 0.00 C ATOM 0 H LEU A 36 -0.086 9.167 -8.822 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.346 7.523 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.917 6.987 -7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.673 5.864 -9.055 1.00 0.00 H new ATOM 0 HG LEU A 36 1.208 6.784 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.671 4.402 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.689 5.268 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.083 4.112 -8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.585 5.002 -10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.164 4.676 -10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.460 6.247 -11.401 1.00 0.00 H new ATOM 615 N PRO A 37 -3.891 7.923 -10.177 1.00 0.00 N ATOM 616 CA PRO A 37 -5.275 8.284 -9.716 1.00 0.00 C ATOM 617 C PRO A 37 -5.853 7.589 -8.444 1.00 0.00 C ATOM 618 O PRO A 37 -6.938 7.971 -7.995 1.00 0.00 O ATOM 619 CB PRO A 37 -6.117 8.014 -10.992 1.00 0.00 C ATOM 620 CG PRO A 37 -5.356 6.894 -11.734 1.00 0.00 C ATOM 621 CD PRO A 37 -3.876 7.230 -11.483 1.00 0.00 C ATOM 0 HA PRO A 37 -5.285 9.308 -9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.131 7.704 -10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.202 8.910 -11.607 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.614 5.909 -11.345 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.590 6.888 -12.799 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.261 6.331 -11.452 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.471 7.867 -12.270 1.00 0.00 H new ATOM 629 N HIS A 38 -5.140 6.629 -7.834 1.00 0.00 N ATOM 630 CA HIS A 38 -5.545 5.971 -6.574 1.00 0.00 C ATOM 631 C HIS A 38 -4.330 5.876 -5.599 1.00 0.00 C ATOM 632 O HIS A 38 -3.400 5.095 -5.824 1.00 0.00 O ATOM 633 CB HIS A 38 -6.100 4.582 -6.974 1.00 0.00 C ATOM 634 CG HIS A 38 -6.875 3.872 -5.860 1.00 0.00 C ATOM 635 ND1 HIS A 38 -6.300 2.948 -5.008 1.00 0.00 N ATOM 636 CD2 HIS A 38 -8.233 4.060 -5.509 1.00 0.00 C ATOM 637 CE1 HIS A 38 -7.358 2.642 -4.197 1.00 0.00 C ATOM 638 NE2 HIS A 38 -8.559 3.262 -4.426 1.00 0.00 N ATOM 0 H HIS A 38 -4.255 6.281 -8.203 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.309 6.535 -6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.754 4.699 -7.838 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.270 3.947 -7.286 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -8.915 4.729 -6.013 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.250 1.928 -3.394 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.447 3.163 -3.934 1.00 0.00 H new ATOM 647 N SER A 39 -4.374 6.631 -4.494 1.00 0.00 N ATOM 648 CA SER A 39 -3.379 6.530 -3.400 1.00 0.00 C ATOM 649 C SER A 39 -3.814 5.472 -2.346 1.00 0.00 C ATOM 650 O SER A 39 -4.516 5.770 -1.377 1.00 0.00 O ATOM 651 CB SER A 39 -3.120 7.950 -2.817 1.00 0.00 C ATOM 652 OG SER A 39 -4.296 8.713 -2.523 1.00 0.00 O ATOM 0 H SER A 39 -5.097 7.331 -4.326 1.00 0.00 H new ATOM 0 HA SER A 39 -2.425 6.165 -3.782 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.534 7.849 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.511 8.511 -3.526 1.00 0.00 H new ATOM 0 HG SER A 39 -4.037 9.586 -2.161 1.00 0.00 H new ATOM 658 N GLY A 40 -3.380 4.223 -2.569 1.00 0.00 N ATOM 659 CA GLY A 40 -3.655 3.088 -1.663 1.00 0.00 C ATOM 660 C GLY A 40 -3.718 1.760 -2.427 1.00 0.00 C ATOM 661 O GLY A 40 -4.808 1.339 -2.817 1.00 0.00 O ATOM 0 H GLY A 40 -2.825 3.966 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.878 3.034 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.599 3.256 -1.145 1.00 0.00 H new ATOM 665 N ALA A 41 -2.561 1.131 -2.667 1.00 0.00 N ATOM 666 CA ALA A 41 -2.464 -0.067 -3.535 1.00 0.00 C ATOM 667 C ALA A 41 -2.012 -1.328 -2.748 1.00 0.00 C ATOM 668 O ALA A 41 -0.923 -1.345 -2.160 1.00 0.00 O ATOM 669 CB ALA A 41 -1.470 0.270 -4.661 1.00 0.00 C ATOM 0 H ALA A 41 -1.669 1.428 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.446 -0.310 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.368 -0.588 -5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.838 1.126 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.499 0.511 -4.229 1.00 0.00 H new ATOM 675 N THR A 42 -2.846 -2.379 -2.775 1.00 0.00 N ATOM 676 CA THR A 42 -2.508 -3.712 -2.210 1.00 0.00 C ATOM 677 C THR A 42 -1.882 -4.651 -3.275 1.00 0.00 C ATOM 678 O THR A 42 -2.544 -5.029 -4.245 1.00 0.00 O ATOM 679 CB THR A 42 -3.739 -4.324 -1.484 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.358 -5.538 -0.845 1.00 0.00 O ATOM 681 CG2 THR A 42 -4.984 -4.643 -2.298 1.00 0.00 C ATOM 0 H THR A 42 -3.778 -2.337 -3.188 1.00 0.00 H new ATOM 0 HA THR A 42 -1.732 -3.583 -1.455 1.00 0.00 H new ATOM 0 HB THR A 42 -4.031 -3.515 -0.814 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.133 -5.923 -0.386 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.749 -5.062 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.361 -3.730 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.735 -5.365 -3.075 1.00 0.00 H new ATOM 689 N TRP A 43 -0.619 -5.051 -3.070 1.00 0.00 N ATOM 690 CA TRP A 43 0.027 -6.107 -3.900 1.00 0.00 C ATOM 691 C TRP A 43 0.365 -7.322 -2.989 1.00 0.00 C ATOM 692 O TRP A 43 1.393 -7.317 -2.309 1.00 0.00 O ATOM 693 CB TRP A 43 1.266 -5.495 -4.588 1.00 0.00 C ATOM 694 CG TRP A 43 1.936 -6.346 -5.727 1.00 0.00 C ATOM 695 CD1 TRP A 43 1.995 -7.770 -5.867 1.00 0.00 C ATOM 696 CD2 TRP A 43 2.686 -5.868 -6.811 1.00 0.00 C ATOM 697 NE1 TRP A 43 2.740 -8.169 -6.983 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.163 -6.987 -7.549 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.045 -4.541 -7.225 1.00 0.00 C ATOM 700 CZ2 TRP A 43 4.013 -6.792 -8.675 1.00 0.00 C ATOM 701 CZ3 TRP A 43 3.877 -4.383 -8.330 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.360 -5.496 -9.043 1.00 0.00 C ATOM 0 H TRP A 43 -0.017 -4.667 -2.342 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.634 -6.472 -4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.980 -4.531 -5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.018 -5.299 -3.823 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.518 -8.460 -5.187 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.927 -9.119 -7.304 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.676 -3.680 -6.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.383 -7.638 -9.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.157 -3.389 -8.646 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.011 -5.341 -9.891 1.00 0.00 H new ATOM 713 N SER A 44 -0.473 -8.370 -3.028 1.00 0.00 N ATOM 714 CA SER A 44 -0.184 -9.654 -2.338 1.00 0.00 C ATOM 715 C SER A 44 0.603 -10.624 -3.271 1.00 0.00 C ATOM 716 O SER A 44 0.016 -11.337 -4.097 1.00 0.00 O ATOM 717 CB SER A 44 -1.508 -10.294 -1.844 1.00 0.00 C ATOM 718 OG SER A 44 -2.156 -9.485 -0.861 1.00 0.00 O ATOM 0 H SER A 44 -1.361 -8.361 -3.530 1.00 0.00 H new ATOM 0 HA SER A 44 0.448 -9.455 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.178 -10.442 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.301 -11.279 -1.425 1.00 0.00 H new ATOM 0 HG SER A 44 -2.987 -9.920 -0.575 1.00 0.00 H new ATOM 724 N GLY A 45 1.936 -10.631 -3.149 1.00 0.00 N ATOM 725 CA GLY A 45 2.797 -11.504 -3.978 1.00 0.00 C ATOM 726 C GLY A 45 4.267 -11.085 -3.953 1.00 0.00 C ATOM 727 O GLY A 45 5.035 -11.567 -3.119 1.00 0.00 O ATOM 0 H GLY A 45 2.447 -10.046 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.711 -12.532 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.437 -11.489 -5.007 1.00 0.00 H new ATOM 731 N ARG A 46 4.640 -10.182 -4.871 1.00 0.00 N ATOM 732 CA ARG A 46 5.990 -9.556 -4.872 1.00 0.00 C ATOM 733 C ARG A 46 6.074 -8.444 -3.798 1.00 0.00 C ATOM 734 O ARG A 46 5.178 -7.601 -3.676 1.00 0.00 O ATOM 735 CB ARG A 46 6.253 -9.042 -6.306 1.00 0.00 C ATOM 736 CG ARG A 46 7.633 -8.417 -6.593 1.00 0.00 C ATOM 737 CD ARG A 46 7.667 -6.885 -6.464 1.00 0.00 C ATOM 738 NE ARG A 46 8.937 -6.351 -7.023 1.00 0.00 N ATOM 739 CZ ARG A 46 10.031 -6.034 -6.336 1.00 0.00 C ATOM 740 NH1 ARG A 46 10.125 -6.101 -5.032 1.00 0.00 N ATOM 741 NH2 ARG A 46 11.075 -5.632 -6.996 1.00 0.00 N ATOM 0 H ARG A 46 4.033 -9.862 -5.626 1.00 0.00 H new ATOM 0 HA ARG A 46 6.767 -10.273 -4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.111 -9.875 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.491 -8.300 -6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.364 -8.845 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.943 -8.693 -7.601 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.818 -6.449 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.573 -6.599 -5.416 1.00 0.00 H new ATOM 0 HE ARG A 46 8.973 -6.214 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.327 -6.412 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.996 -5.842 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.041 -5.566 -8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.929 -5.382 -6.497 1.00 0.00 H new ATOM 755 N GLY A 47 7.187 -8.433 -3.047 1.00 0.00 N ATOM 756 CA GLY A 47 7.373 -7.478 -1.932 1.00 0.00 C ATOM 757 C GLY A 47 7.723 -6.048 -2.357 1.00 0.00 C ATOM 758 O GLY A 47 8.885 -5.645 -2.296 1.00 0.00 O ATOM 0 H GLY A 47 7.971 -9.070 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.458 -7.452 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.164 -7.852 -1.281 1.00 0.00 H new ATOM 762 N LYS A 48 6.703 -5.301 -2.784 1.00 0.00 N ATOM 763 CA LYS A 48 6.833 -3.862 -3.116 1.00 0.00 C ATOM 764 C LYS A 48 6.766 -2.975 -1.843 1.00 0.00 C ATOM 765 O LYS A 48 5.812 -3.063 -1.066 1.00 0.00 O ATOM 766 CB LYS A 48 5.784 -3.493 -4.201 1.00 0.00 C ATOM 767 CG LYS A 48 4.299 -3.503 -3.804 1.00 0.00 C ATOM 768 CD LYS A 48 3.749 -2.125 -3.395 1.00 0.00 C ATOM 769 CE LYS A 48 2.323 -2.253 -2.840 1.00 0.00 C ATOM 770 NZ LYS A 48 1.909 -0.993 -2.178 1.00 0.00 N ATOM 0 H LYS A 48 5.760 -5.667 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 48 7.818 -3.664 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.024 -2.496 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.911 -4.182 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.713 -3.883 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.160 -4.198 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.399 -1.677 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.751 -1.457 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.632 -2.490 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.276 -3.077 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.874 -0.975 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.345 -0.936 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.217 -0.182 -2.752 1.00 0.00 H new ATOM 784 N ILE A 49 7.774 -2.121 -1.648 1.00 0.00 N ATOM 785 CA ILE A 49 7.729 -1.041 -0.630 1.00 0.00 C ATOM 786 C ILE A 49 8.147 0.266 -1.409 1.00 0.00 C ATOM 787 O ILE A 49 9.326 0.359 -1.779 1.00 0.00 O ATOM 788 CB ILE A 49 8.670 -1.286 0.607 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.450 -2.627 1.363 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.423 -0.155 1.650 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.232 -3.813 0.802 1.00 0.00 C ATOM 0 H ILE A 49 8.643 -2.149 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 49 6.733 -0.980 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 49 9.678 -1.308 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.727 -2.489 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.387 -2.869 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.068 -0.310 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.647 0.811 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.380 -0.174 1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.016 -4.703 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.939 -3.985 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.300 -3.599 0.847 1.00 0.00 H new ATOM 803 N PRO A 50 7.294 1.296 -1.658 1.00 0.00 N ATOM 804 CA PRO A 50 7.727 2.551 -2.362 1.00 0.00 C ATOM 805 C PRO A 50 8.455 3.611 -1.486 1.00 0.00 C ATOM 806 O PRO A 50 8.242 4.815 -1.629 1.00 0.00 O ATOM 807 CB PRO A 50 6.362 3.022 -2.936 1.00 0.00 C ATOM 808 CG PRO A 50 5.342 2.657 -1.833 1.00 0.00 C ATOM 809 CD PRO A 50 5.882 1.341 -1.243 1.00 0.00 C ATOM 0 HA PRO A 50 8.509 2.384 -3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.363 4.093 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.130 2.520 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.278 3.437 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.340 2.529 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.788 1.326 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.330 0.481 -1.623 1.00 0.00 H new ATOM 817 N LYS A 51 9.390 3.144 -0.654 1.00 0.00 N ATOM 818 CA LYS A 51 10.309 4.001 0.128 1.00 0.00 C ATOM 819 C LYS A 51 11.411 4.690 -0.735 1.00 0.00 C ATOM 820 O LYS A 51 11.476 5.912 -0.601 1.00 0.00 O ATOM 821 CB LYS A 51 10.842 3.222 1.352 1.00 0.00 C ATOM 822 CG LYS A 51 9.833 3.095 2.524 1.00 0.00 C ATOM 823 CD LYS A 51 9.641 4.373 3.354 1.00 0.00 C ATOM 824 CE LYS A 51 8.637 4.216 4.521 1.00 0.00 C ATOM 825 NZ LYS A 51 7.208 4.195 4.079 1.00 0.00 N ATOM 0 H LYS A 51 9.538 2.147 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 51 9.740 4.849 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.134 2.222 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.743 3.716 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.867 2.793 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.166 2.296 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.606 4.682 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.298 5.173 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.857 3.293 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.779 5.036 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.615 3.807 4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.899 5.163 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.116 3.600 3.231 1.00 0.00 H new ATOM 839 N PRO A 52 12.217 4.084 -1.661 1.00 0.00 N ATOM 840 CA PRO A 52 12.997 4.887 -2.670 1.00 0.00 C ATOM 841 C PRO A 52 12.189 5.760 -3.674 1.00 0.00 C ATOM 842 O PRO A 52 12.697 6.800 -4.097 1.00 0.00 O ATOM 843 CB PRO A 52 13.872 3.810 -3.357 1.00 0.00 C ATOM 844 CG PRO A 52 13.053 2.507 -3.231 1.00 0.00 C ATOM 845 CD PRO A 52 12.358 2.626 -1.861 1.00 0.00 C ATOM 0 HA PRO A 52 13.557 5.679 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.062 4.060 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.843 3.717 -2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.327 2.414 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.695 1.627 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.389 2.127 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.953 2.170 -1.070 1.00 0.00 H new ATOM 853 N PHE A 53 10.938 5.386 -4.007 1.00 0.00 N ATOM 854 CA PHE A 53 10.018 6.258 -4.778 1.00 0.00 C ATOM 855 C PHE A 53 9.521 7.482 -3.963 1.00 0.00 C ATOM 856 O PHE A 53 9.868 8.598 -4.344 1.00 0.00 O ATOM 857 CB PHE A 53 8.898 5.372 -5.371 1.00 0.00 C ATOM 858 CG PHE A 53 7.888 6.129 -6.249 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.228 6.550 -7.545 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.620 6.457 -5.745 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.312 7.256 -8.326 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.709 7.169 -6.523 1.00 0.00 C ATOM 863 CZ PHE A 53 6.055 7.565 -7.811 1.00 0.00 C ATOM 0 H PHE A 53 10.536 4.483 -3.755 1.00 0.00 H new ATOM 0 HA PHE A 53 10.550 6.725 -5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.354 4.579 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.361 4.890 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.207 6.325 -7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.348 6.155 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.577 7.562 -9.327 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.735 7.413 -6.126 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.347 8.114 -8.414 1.00 0.00 H new ATOM 873 N GLU A 54 8.765 7.310 -2.861 1.00 0.00 N ATOM 874 CA GLU A 54 8.306 8.463 -2.025 1.00 0.00 C ATOM 875 C GLU A 54 9.426 9.293 -1.296 1.00 0.00 C ATOM 876 O GLU A 54 9.183 10.456 -0.963 1.00 0.00 O ATOM 877 CB GLU A 54 7.174 7.981 -1.073 1.00 0.00 C ATOM 878 CG GLU A 54 6.318 9.134 -0.504 1.00 0.00 C ATOM 879 CD GLU A 54 5.105 8.761 0.334 1.00 0.00 C ATOM 880 OE1 GLU A 54 5.137 7.754 1.068 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.118 9.535 0.298 1.00 0.00 O ATOM 0 H GLU A 54 8.456 6.399 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 54 7.915 9.206 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.526 7.289 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.617 7.425 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.966 9.765 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.975 9.742 -1.341 1.00 0.00 H new ATOM 888 N ALA A 55 10.640 8.750 -1.125 1.00 0.00 N ATOM 889 CA ALA A 55 11.838 9.542 -0.784 1.00 0.00 C ATOM 890 C ALA A 55 12.420 10.370 -1.965 1.00 0.00 C ATOM 891 O ALA A 55 12.623 11.568 -1.780 1.00 0.00 O ATOM 892 CB ALA A 55 12.882 8.588 -0.201 1.00 0.00 C ATOM 0 H ALA A 55 10.822 7.751 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 55 11.544 10.295 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.780 9.147 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.479 8.110 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.131 7.826 -0.940 1.00 0.00 H new ATOM 898 N TRP A 56 12.666 9.800 -3.164 1.00 0.00 N ATOM 899 CA TRP A 56 13.119 10.601 -4.341 1.00 0.00 C ATOM 900 C TRP A 56 12.051 11.555 -4.969 1.00 0.00 C ATOM 901 O TRP A 56 12.394 12.685 -5.321 1.00 0.00 O ATOM 902 CB TRP A 56 13.793 9.673 -5.374 1.00 0.00 C ATOM 903 CG TRP A 56 14.894 10.440 -6.184 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.787 10.966 -7.498 1.00 0.00 C ATOM 905 CD2 TRP A 56 16.149 10.863 -5.730 1.00 0.00 C ATOM 906 NE1 TRP A 56 15.931 11.695 -7.868 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.755 11.628 -6.761 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.813 10.706 -4.468 1.00 0.00 C ATOM 909 CZ2 TRP A 56 18.023 12.240 -6.539 1.00 0.00 C ATOM 910 CZ3 TRP A 56 18.052 11.309 -4.283 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.651 12.069 -5.306 1.00 0.00 C ATOM 0 H TRP A 56 12.563 8.802 -3.350 1.00 0.00 H new ATOM 0 HA TRP A 56 13.856 11.308 -3.961 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.240 8.819 -4.864 1.00 0.00 H new ATOM 0 HB3 TRP A 56 13.042 9.278 -6.058 1.00 0.00 H new ATOM 0 HD1 TRP A 56 13.929 10.823 -8.138 1.00 0.00 H new ATOM 0 HE1 TRP A 56 16.112 12.167 -8.754 1.00 0.00 H new ATOM 0 HE3 TRP A 56 16.358 10.130 -3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.491 12.828 -7.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.564 11.193 -3.339 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.613 12.527 -5.133 1.00 0.00 H new ATOM 922 N ILE A 57 10.765 11.169 -4.979 1.00 0.00 N ATOM 923 CA ILE A 57 9.618 12.131 -5.112 1.00 0.00 C ATOM 924 C ILE A 57 9.489 13.193 -3.934 1.00 0.00 C ATOM 925 O ILE A 57 8.619 14.062 -4.000 1.00 0.00 O ATOM 926 CB ILE A 57 8.333 11.270 -5.355 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.362 10.450 -6.691 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.955 11.937 -5.248 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.358 11.238 -7.998 1.00 0.00 C ATOM 0 H ILE A 57 10.475 10.195 -4.897 1.00 0.00 H new ATOM 0 HA ILE A 57 9.793 12.791 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 57 8.415 10.626 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.251 9.820 -6.680 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.499 9.784 -6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.177 11.199 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.824 12.343 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.883 12.743 -5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.380 10.546 -8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.456 11.848 -8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.235 11.884 -8.036 1.00 0.00 H new ATOM 941 N GLY A 58 10.297 13.135 -2.865 1.00 0.00 N ATOM 942 CA GLY A 58 10.390 14.210 -1.851 1.00 0.00 C ATOM 943 C GLY A 58 11.742 14.926 -1.650 1.00 0.00 C ATOM 944 O GLY A 58 11.718 16.023 -1.097 1.00 0.00 O ATOM 0 H GLY A 58 10.908 12.341 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.649 14.968 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.095 13.785 -0.891 1.00 0.00 H new ATOM 948 N THR A 59 12.886 14.368 -2.094 1.00 0.00 N ATOM 949 CA THR A 59 14.236 15.012 -1.943 1.00 0.00 C ATOM 950 C THR A 59 14.327 16.488 -2.470 1.00 0.00 C ATOM 951 O THR A 59 14.827 17.361 -1.760 1.00 0.00 O ATOM 952 CB THR A 59 15.338 14.107 -2.597 1.00 0.00 C ATOM 953 OG1 THR A 59 15.353 12.803 -2.030 1.00 0.00 O ATOM 954 CG2 THR A 59 16.765 14.612 -2.400 1.00 0.00 C ATOM 0 H THR A 59 12.916 13.464 -2.566 1.00 0.00 H new ATOM 0 HA THR A 59 14.409 15.094 -0.870 1.00 0.00 H new ATOM 0 HB THR A 59 15.067 14.117 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.454 12.415 -2.077 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.463 13.928 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.864 15.604 -2.842 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.988 14.665 -1.334 1.00 0.00 H new ATOM 962 N ALA A 60 13.819 16.724 -3.686 1.00 0.00 N ATOM 963 CA ALA A 60 13.584 18.089 -4.215 1.00 0.00 C ATOM 964 C ALA A 60 12.102 18.394 -4.599 1.00 0.00 C ATOM 965 O ALA A 60 11.655 19.525 -4.401 1.00 0.00 O ATOM 966 CB ALA A 60 14.527 18.300 -5.408 1.00 0.00 C ATOM 0 H ALA A 60 13.557 15.982 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 60 13.797 18.796 -3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.376 19.298 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.561 18.196 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.315 17.556 -6.176 1.00 0.00 H new ATOM 972 N ALA A 61 11.341 17.416 -5.122 1.00 0.00 N ATOM 973 CA ALA A 61 9.929 17.613 -5.518 1.00 0.00 C ATOM 974 C ALA A 61 8.890 17.998 -4.430 1.00 0.00 C ATOM 975 O ALA A 61 7.907 18.648 -4.783 1.00 0.00 O ATOM 976 CB ALA A 61 9.496 16.348 -6.263 1.00 0.00 C ATOM 0 H ALA A 61 11.683 16.469 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 61 9.926 18.516 -6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.457 16.448 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.127 16.209 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.595 15.486 -5.604 1.00 0.00 H new ATOM 982 N TYR A 62 9.122 17.662 -3.151 1.00 0.00 N ATOM 983 CA TYR A 62 8.281 18.120 -2.005 1.00 0.00 C ATOM 984 C TYR A 62 7.875 19.627 -1.981 1.00 0.00 C ATOM 985 O TYR A 62 6.696 19.913 -1.771 1.00 0.00 O ATOM 986 CB TYR A 62 8.993 17.712 -0.693 1.00 0.00 C ATOM 987 CG TYR A 62 8.182 17.865 0.605 1.00 0.00 C ATOM 988 CD1 TYR A 62 7.016 17.113 0.831 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.615 18.750 1.603 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.299 17.257 2.019 1.00 0.00 C ATOM 991 CE2 TYR A 62 7.899 18.887 2.794 1.00 0.00 C ATOM 992 CZ TYR A 62 6.741 18.144 3.000 1.00 0.00 C ATOM 993 OH TYR A 62 6.023 18.295 4.147 1.00 0.00 O ATOM 0 H TYR A 62 9.898 17.063 -2.869 1.00 0.00 H new ATOM 0 HA TYR A 62 7.319 17.622 -2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.301 16.670 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.902 18.306 -0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.673 16.418 0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.512 19.332 1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.400 16.680 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.244 19.570 3.556 1.00 0.00 H new ATOM 0 HH TYR A 62 6.467 18.949 4.727 1.00 0.00 H new ATOM 1003 N THR A 63 8.810 20.559 -2.239 1.00 0.00 N ATOM 1004 CA THR A 63 8.467 22.005 -2.380 1.00 0.00 C ATOM 1005 C THR A 63 7.480 22.375 -3.531 1.00 0.00 C ATOM 1006 O THR A 63 6.626 23.241 -3.331 1.00 0.00 O ATOM 1007 CB THR A 63 9.752 22.868 -2.349 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.407 24.226 -2.088 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.630 22.869 -3.593 1.00 0.00 C ATOM 0 H THR A 63 9.802 20.350 -2.355 1.00 0.00 H new ATOM 0 HA THR A 63 7.866 22.250 -1.504 1.00 0.00 H new ATOM 0 HB THR A 63 10.345 22.394 -1.567 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.221 24.772 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.493 23.515 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.970 21.854 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.056 23.239 -4.443 1.00 0.00 H new ATOM 1017 N ALA A 64 7.563 21.705 -4.698 1.00 0.00 N ATOM 1018 CA ALA A 64 6.506 21.801 -5.734 1.00 0.00 C ATOM 1019 C ALA A 64 5.202 20.998 -5.417 1.00 0.00 C ATOM 1020 O ALA A 64 4.110 21.513 -5.668 1.00 0.00 O ATOM 1021 CB ALA A 64 7.121 21.376 -7.076 1.00 0.00 C ATOM 0 H ALA A 64 8.342 21.096 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 64 6.168 22.837 -5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.365 21.437 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.951 22.038 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.484 20.351 -7.001 1.00 0.00 H new ATOM 1027 N TRP A 65 5.332 19.773 -4.879 1.00 0.00 N ATOM 1028 CA TRP A 65 4.211 18.933 -4.387 1.00 0.00 C ATOM 1029 C TRP A 65 3.279 19.577 -3.314 1.00 0.00 C ATOM 1030 O TRP A 65 2.058 19.479 -3.442 1.00 0.00 O ATOM 1031 CB TRP A 65 4.826 17.598 -3.876 1.00 0.00 C ATOM 1032 CG TRP A 65 3.955 16.363 -4.241 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.198 15.525 -5.352 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.773 15.870 -3.664 1.00 0.00 C ATOM 1035 NE1 TRP A 65 3.209 14.549 -5.501 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.325 14.789 -4.470 1.00 0.00 C ATOM 1037 CE3 TRP A 65 2.007 16.271 -2.519 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 1.100 14.135 -4.168 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.831 15.584 -2.228 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.369 14.544 -3.060 1.00 0.00 C ATOM 0 H TRP A 65 6.240 19.322 -4.769 1.00 0.00 H new ATOM 0 HA TRP A 65 3.532 18.785 -5.227 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.822 17.474 -4.301 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.945 17.647 -2.794 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.049 15.627 -6.009 1.00 0.00 H new ATOM 0 HE1 TRP A 65 3.153 13.821 -6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.336 17.089 -1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.742 13.330 -4.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.263 15.853 -1.350 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.568 14.058 -2.832 1.00 0.00 H new ATOM 1051 N LYS A 66 3.857 20.251 -2.311 1.00 0.00 N ATOM 1052 CA LYS A 66 3.106 21.054 -1.311 1.00 0.00 C ATOM 1053 C LYS A 66 2.262 22.252 -1.870 1.00 0.00 C ATOM 1054 O LYS A 66 1.207 22.544 -1.305 1.00 0.00 O ATOM 1055 CB LYS A 66 4.117 21.537 -0.233 1.00 0.00 C ATOM 1056 CG LYS A 66 4.660 20.433 0.701 1.00 0.00 C ATOM 1057 CD LYS A 66 3.683 19.934 1.774 1.00 0.00 C ATOM 1058 CE LYS A 66 3.454 20.921 2.925 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.413 20.349 3.815 1.00 0.00 N ATOM 0 H LYS A 66 4.866 20.261 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 66 2.344 20.394 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.959 22.013 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.636 22.302 0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.966 19.584 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.555 20.809 1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.725 19.714 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.059 18.997 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.380 21.085 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.136 21.890 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.298 20.958 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.511 20.291 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.700 19.396 4.118 1.00 0.00 H new ATOM 1073 N ALA A 67 2.679 22.895 -2.975 1.00 0.00 N ATOM 1074 CA ALA A 67 1.781 23.765 -3.775 1.00 0.00 C ATOM 1075 C ALA A 67 0.650 23.043 -4.586 1.00 0.00 C ATOM 1076 O ALA A 67 -0.451 23.589 -4.670 1.00 0.00 O ATOM 1077 CB ALA A 67 2.674 24.612 -4.695 1.00 0.00 C ATOM 0 H ALA A 67 3.630 22.832 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 67 1.213 24.371 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.051 25.268 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.353 25.213 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.252 23.956 -5.345 1.00 0.00 H new ATOM 1083 N LYS A 68 0.892 21.850 -5.165 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.179 21.051 -5.834 1.00 0.00 C ATOM 1085 C LYS A 68 -1.232 20.365 -4.886 1.00 0.00 C ATOM 1086 O LYS A 68 -2.388 20.218 -5.288 1.00 0.00 O ATOM 1087 CB LYS A 68 0.469 19.953 -6.731 1.00 0.00 C ATOM 1088 CG LYS A 68 1.246 20.489 -7.957 1.00 0.00 C ATOM 1089 CD LYS A 68 2.635 19.843 -8.071 1.00 0.00 C ATOM 1090 CE LYS A 68 3.587 20.434 -9.123 1.00 0.00 C ATOM 1091 NZ LYS A 68 3.865 21.877 -8.865 1.00 0.00 N ATOM 0 H LYS A 68 1.813 21.412 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.742 21.786 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.148 19.359 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.315 19.281 -7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.676 20.291 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.352 21.571 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.121 19.908 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.501 18.784 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.524 19.877 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.150 20.319 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.738 22.156 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.072 22.451 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.979 22.031 -7.843 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.829 19.893 -3.702 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.718 19.188 -2.741 1.00 0.00 C ATOM 1107 C HIS A 69 -1.300 19.541 -1.252 1.00 0.00 C ATOM 1108 O HIS A 69 -0.112 19.777 -1.013 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.605 17.666 -2.983 1.00 0.00 C ATOM 1110 CG HIS A 69 -2.701 17.026 -3.841 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.637 16.174 -3.291 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -2.858 17.047 -5.250 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.295 15.734 -4.405 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -3.900 16.212 -5.626 1.00 0.00 N ATOM 0 H HIS A 69 0.131 19.985 -3.370 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.750 19.506 -2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.643 17.466 -3.454 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.595 17.167 -2.014 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.254 17.628 -5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.107 15.026 -4.324 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.270 16.010 -6.555 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.206 19.549 -0.234 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.920 20.187 1.103 1.00 0.00 C ATOM 1125 C PRO A 70 -0.834 19.516 1.971 1.00 0.00 C ATOM 1126 O PRO A 70 0.298 20.004 2.008 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.336 20.308 1.730 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.151 19.175 1.059 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.635 19.200 -0.389 1.00 0.00 C ATOM 0 HA PRO A 70 -1.427 21.154 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.303 20.187 2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.776 21.285 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.973 18.211 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.224 19.363 1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.763 18.234 -0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.166 19.936 -0.993 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.146 18.418 2.663 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.118 17.516 3.257 1.00 0.00 C ATOM 1139 C ASP A 71 -0.419 16.009 2.960 1.00 0.00 C ATOM 1140 O ASP A 71 -0.204 15.147 3.811 1.00 0.00 O ATOM 1141 CB ASP A 71 -0.042 17.869 4.759 1.00 0.00 C ATOM 1142 CG ASP A 71 1.205 17.351 5.464 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.323 17.742 5.059 1.00 0.00 O ATOM 1144 OD2 ASP A 71 1.076 16.577 6.433 1.00 0.00 O ATOM 0 H ASP A 71 -2.106 18.118 2.835 1.00 0.00 H new ATOM 0 HA ASP A 71 0.862 17.668 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.082 18.953 4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.922 17.465 5.260 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.870 15.675 1.733 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.291 14.285 1.403 1.00 0.00 C ATOM 1151 C GLU A 72 -0.111 13.239 1.368 1.00 0.00 C ATOM 1152 O GLU A 72 -0.244 12.154 1.922 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.032 14.299 0.032 1.00 0.00 C ATOM 1154 CG GLU A 72 -2.981 13.106 -0.164 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.212 12.668 -1.600 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -3.951 13.356 -2.333 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -2.680 11.608 -1.999 1.00 0.00 O ATOM 0 H GLU A 72 -0.954 16.334 0.959 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.948 13.955 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.602 15.224 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.295 14.302 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.586 12.257 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.945 13.358 0.278 1.00 0.00 H new ATOM 1164 N LYS A 73 0.986 13.568 0.676 1.00 0.00 N ATOM 1165 CA LYS A 73 2.217 12.735 0.590 1.00 0.00 C ATOM 1166 C LYS A 73 3.036 12.726 1.903 1.00 0.00 C ATOM 1167 O LYS A 73 3.168 13.757 2.571 1.00 0.00 O ATOM 1168 CB LYS A 73 2.956 13.339 -0.624 1.00 0.00 C ATOM 1169 CG LYS A 73 4.235 12.667 -1.126 1.00 0.00 C ATOM 1170 CD LYS A 73 5.477 12.972 -0.285 1.00 0.00 C ATOM 1171 CE LYS A 73 6.712 13.409 -1.064 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.321 12.260 -1.764 1.00 0.00 N ATOM 0 H LYS A 73 1.056 14.436 0.145 1.00 0.00 H new ATOM 0 HA LYS A 73 2.014 11.673 0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.252 13.368 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.202 14.372 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.081 11.588 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.419 12.983 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.225 13.755 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.730 12.082 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.439 14.178 -1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.439 13.854 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.859 12.600 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.960 11.758 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.573 11.612 -2.084 1.00 0.00 H new ATOM 1186 N PHE A 74 3.622 11.569 2.255 1.00 0.00 N ATOM 1187 CA PHE A 74 4.398 11.436 3.517 1.00 0.00 C ATOM 1188 C PHE A 74 5.791 12.159 3.457 1.00 0.00 C ATOM 1189 O PHE A 74 6.533 11.896 2.503 1.00 0.00 O ATOM 1190 CB PHE A 74 4.591 9.925 3.827 1.00 0.00 C ATOM 1191 CG PHE A 74 4.792 9.652 5.326 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.681 9.487 6.169 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.078 9.635 5.890 1.00 0.00 C ATOM 1194 CE1 PHE A 74 3.851 9.320 7.544 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.246 9.472 7.266 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.133 9.315 8.090 1.00 0.00 C ATOM 0 H PHE A 74 3.579 10.717 1.696 1.00 0.00 H new ATOM 0 HA PHE A 74 3.833 11.924 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.721 9.371 3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.453 9.551 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.686 9.489 5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.944 9.749 5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.990 9.195 8.184 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.238 9.468 7.692 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.264 9.189 9.155 1.00 0.00 H new ATOM 1206 N PRO A 75 6.219 13.023 4.417 1.00 0.00 N ATOM 1207 CA PRO A 75 7.522 13.767 4.306 1.00 0.00 C ATOM 1208 C PRO A 75 8.785 12.895 4.538 1.00 0.00 C ATOM 1209 O PRO A 75 9.380 12.864 5.618 1.00 0.00 O ATOM 1210 CB PRO A 75 7.314 14.918 5.323 1.00 0.00 C ATOM 1211 CG PRO A 75 6.356 14.338 6.388 1.00 0.00 C ATOM 1212 CD PRO A 75 5.406 13.442 5.578 1.00 0.00 C ATOM 0 HA PRO A 75 7.736 14.126 3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.259 15.227 5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.885 15.797 4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.896 13.768 7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.814 15.126 6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.070 12.585 6.161 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.513 13.984 5.266 1.00 0.00 H new ATOM 1220 N ALA A 76 9.176 12.186 3.470 1.00 0.00 N ATOM 1221 CA ALA A 76 10.263 11.188 3.506 1.00 0.00 C ATOM 1222 C ALA A 76 11.568 11.691 2.823 1.00 0.00 C ATOM 1223 O ALA A 76 11.559 12.208 1.700 1.00 0.00 O ATOM 1224 CB ALA A 76 9.733 9.933 2.789 1.00 0.00 C ATOM 0 H ALA A 76 8.747 12.287 2.550 1.00 0.00 H new ATOM 0 HA ALA A 76 10.533 10.983 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.503 9.162 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.849 9.563 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.471 10.184 1.761 1.00 0.00 H new ATOM 1230 N PHE A 77 12.689 11.486 3.518 1.00 0.00 N ATOM 1231 CA PHE A 77 14.051 11.777 2.997 1.00 0.00 C ATOM 1232 C PHE A 77 14.760 10.510 2.394 1.00 0.00 C ATOM 1233 O PHE A 77 14.371 9.389 2.743 1.00 0.00 O ATOM 1234 CB PHE A 77 14.852 12.452 4.148 1.00 0.00 C ATOM 1235 CG PHE A 77 15.356 11.541 5.283 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.533 11.222 6.377 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.638 10.973 5.216 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.983 10.351 7.371 1.00 0.00 C ATOM 1239 CE2 PHE A 77 17.085 10.099 6.208 1.00 0.00 C ATOM 1240 CZ PHE A 77 16.256 9.790 7.284 1.00 0.00 C ATOM 0 H PHE A 77 12.690 11.111 4.467 1.00 0.00 H new ATOM 0 HA PHE A 77 13.991 12.459 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.714 12.955 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.223 13.225 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.546 11.654 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.286 11.215 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 77 14.344 10.112 8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.071 9.663 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.600 9.114 8.053 1.00 0.00 H new ATOM 1250 N PRO A 78 15.819 10.611 1.543 1.00 0.00 N ATOM 1251 CA PRO A 78 16.561 9.407 1.041 1.00 0.00 C ATOM 1252 C PRO A 78 17.559 8.835 2.084 1.00 0.00 C ATOM 1253 O PRO A 78 18.667 9.350 2.266 1.00 0.00 O ATOM 1254 CB PRO A 78 17.209 9.970 -0.250 1.00 0.00 C ATOM 1255 CG PRO A 78 17.497 11.453 0.075 1.00 0.00 C ATOM 1256 CD PRO A 78 16.311 11.878 0.960 1.00 0.00 C ATOM 0 HA PRO A 78 15.939 8.532 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.124 9.434 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.539 9.874 -1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.447 11.570 0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.555 12.056 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.624 12.578 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.536 12.375 0.376 1.00 0.00 H new ATOM 1264 N GLY A 79 17.128 7.767 2.774 1.00 0.00 N ATOM 1265 CA GLY A 79 17.907 7.157 3.867 1.00 0.00 C ATOM 1266 C GLY A 79 17.599 5.674 4.025 1.00 0.00 C ATOM 1267 O GLY A 79 18.468 4.804 4.006 1.00 0.00 O ATOM 0 H GLY A 79 16.237 7.304 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.971 7.288 3.671 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.689 7.675 4.801 1.00 0.00 H new TER 1271 GLY A 79