USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 25 HIS : no HD1:sc= -0.722 K(o=0.68,f=-0.0023) USER MOD Set 1.2: A 39 SER OG : rot 80:sc= 1.4 USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= -0.0315 USER MOD Set 2.2: A 38 SER OG : rot 30:sc= -0.196 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc=-0.00553 F(o=-2!,f=-0.0055) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -155:sc=-0.00314 (180deg=-0.269) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.062 F(o=-1.9!,f=-0.062) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.196 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -155:sc= -0.0472 (180deg=-0.851) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -129:sc= 0 (180deg=-1.62!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.134 K(o=0.13,f=-1.2) USER MOD Single : A 66 MET CE :methyl -176:sc= -2.74! (180deg=-2.88!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.49 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.484 F(o=-1.2,f=-0.48) USER MOD Single : A 75 THR OG1 : rot 72:sc= 0.362 USER MOD Single : A 77 SER OG : rot -84:sc= 1.29 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 101:sc= 0.0345 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -12.367 -13.184 -16.877 1.00 23.20 N ATOM 2 CA GLY A -3 -12.709 -13.535 -15.511 1.00 43.12 C ATOM 3 C GLY A -3 -11.488 -13.574 -14.596 1.00 10.33 C ATOM 4 O GLY A -3 -10.979 -14.663 -14.318 1.00 34.23 O ATOM 0 H1 GLY A -3 -13.195 -12.763 -17.345 1.00 23.20 H new ATOM 0 H2 GLY A -3 -11.585 -12.498 -16.874 1.00 23.20 H new ATOM 0 H3 GLY A -3 -12.075 -14.039 -17.392 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -13.428 -12.813 -15.123 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -13.198 -14.509 -15.501 1.00 43.12 H new ATOM 8 N PRO A -2 -10.987 -12.399 -14.103 1.00 43.42 N ATOM 9 CA PRO A -2 -9.811 -12.336 -13.212 1.00 72.12 C ATOM 10 C PRO A -2 -10.132 -12.762 -11.778 1.00 24.33 C ATOM 11 O PRO A -2 -11.267 -12.608 -11.317 1.00 1.42 O ATOM 12 CB PRO A -2 -9.402 -10.850 -13.241 1.00 65.32 C ATOM 13 CG PRO A -2 -10.256 -10.208 -14.287 1.00 23.11 C ATOM 14 CD PRO A -2 -11.498 -11.042 -14.381 1.00 3.14 C ATOM 0 HA PRO A -2 -9.027 -13.016 -13.545 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -9.559 -10.383 -12.269 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -8.344 -10.741 -13.480 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -10.497 -9.180 -14.016 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -9.737 -10.172 -15.245 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -12.251 -10.734 -13.655 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -11.959 -10.975 -15.366 1.00 3.14 H new ATOM 22 N SER A -1 -9.120 -13.298 -11.088 1.00 54.30 N ATOM 23 CA SER A -1 -9.272 -13.755 -9.705 1.00 74.21 C ATOM 24 C SER A -1 -8.731 -12.714 -8.719 1.00 44.31 C ATOM 25 O SER A -1 -9.363 -12.440 -7.695 1.00 24.24 O ATOM 26 CB SER A -1 -8.556 -15.097 -9.509 1.00 35.31 C ATOM 27 OG SER A -1 -8.866 -15.668 -8.249 1.00 34.24 O ATOM 0 H SER A -1 -8.182 -13.426 -11.468 1.00 54.30 H new ATOM 0 HA SER A -1 -10.335 -13.889 -9.506 1.00 74.21 H new ATOM 0 HB2 SER A -1 -8.845 -15.785 -10.303 1.00 35.31 H new ATOM 0 HB3 SER A -1 -7.479 -14.952 -9.590 1.00 35.31 H new ATOM 0 HG SER A -1 -8.397 -16.523 -8.153 1.00 34.24 H new ATOM 33 N MET A 0 -7.562 -12.144 -9.040 1.00 71.24 N ATOM 34 CA MET A 0 -6.926 -11.133 -8.193 1.00 20.33 C ATOM 35 C MET A 0 -7.178 -9.732 -8.739 1.00 73.21 C ATOM 36 O MET A 0 -7.222 -9.533 -9.957 1.00 22.03 O ATOM 37 CB MET A 0 -5.418 -11.387 -8.089 1.00 31.50 C ATOM 38 CG MET A 0 -5.053 -12.585 -7.225 1.00 40.30 C ATOM 39 SD MET A 0 -3.273 -12.863 -7.140 1.00 23.03 S ATOM 40 CE MET A 0 -3.206 -14.309 -6.085 1.00 60.20 C ATOM 0 H MET A 0 -7.037 -12.369 -9.885 1.00 71.24 H new ATOM 0 HA MET A 0 -7.366 -11.205 -7.198 1.00 20.33 H new ATOM 0 HB2 MET A 0 -5.015 -11.537 -9.090 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.937 -10.498 -7.682 1.00 31.50 H new ATOM 0 HG2 MET A 0 -5.442 -12.434 -6.218 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.538 -13.476 -7.623 1.00 40.30 H new ATOM 0 HE1 MET A 0 -2.167 -14.604 -5.938 1.00 60.20 H new ATOM 0 HE2 MET A 0 -3.657 -14.077 -5.120 1.00 60.20 H new ATOM 0 HE3 MET A 0 -3.753 -15.127 -6.554 1.00 60.20 H new ATOM 50 N GLY A 1 -7.341 -8.769 -7.826 1.00 60.01 N ATOM 51 CA GLY A 1 -7.588 -7.386 -8.217 1.00 13.55 C ATOM 52 C GLY A 1 -6.500 -6.430 -7.752 1.00 3.14 C ATOM 53 O GLY A 1 -6.767 -5.244 -7.541 1.00 44.31 O ATOM 0 H GLY A 1 -7.306 -8.925 -6.819 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -7.672 -7.331 -9.302 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.545 -7.064 -7.807 1.00 13.55 H new ATOM 57 N VAL A 2 -5.276 -6.947 -7.598 1.00 52.34 N ATOM 58 CA VAL A 2 -4.139 -6.136 -7.158 1.00 33.20 C ATOM 59 C VAL A 2 -2.923 -6.364 -8.078 1.00 63.10 C ATOM 60 O VAL A 2 -2.364 -7.464 -8.127 1.00 55.34 O ATOM 61 CB VAL A 2 -3.807 -6.392 -5.641 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.390 -7.837 -5.350 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.754 -5.414 -5.121 1.00 64.22 C ATOM 0 H VAL A 2 -5.049 -7.926 -7.772 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.411 -5.084 -7.239 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.739 -6.217 -5.103 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.175 -7.947 -4.287 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.199 -8.512 -5.628 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.499 -8.082 -5.928 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.551 -5.622 -4.070 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -1.836 -5.528 -5.697 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.123 -4.393 -5.224 1.00 64.22 H new ATOM 73 N GLN A 3 -2.543 -5.309 -8.807 1.00 54.51 N ATOM 74 CA GLN A 3 -1.408 -5.366 -9.734 1.00 12.04 C ATOM 75 C GLN A 3 -0.278 -4.453 -9.261 1.00 65.23 C ATOM 76 O GLN A 3 -0.446 -3.232 -9.181 1.00 65.11 O ATOM 77 CB GLN A 3 -1.837 -4.970 -11.157 1.00 73.14 C ATOM 78 CG GLN A 3 -2.886 -5.889 -11.774 1.00 31.23 C ATOM 79 CD GLN A 3 -4.294 -5.349 -11.616 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.919 -5.643 -10.482 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -4.810 -4.663 -12.498 1.00 15.44 N flip ATOM 0 H GLN A 3 -3.007 -4.402 -8.772 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.048 -6.395 -9.753 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.229 -3.953 -11.136 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -0.957 -4.959 -11.800 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.669 -6.024 -12.834 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.823 -6.872 -11.308 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.294 -4.461 -13.354 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.754 -4.296 -12.373 1.00 15.44 H new ATOM 90 N VAL A 4 0.870 -5.057 -8.950 1.00 15.11 N ATOM 91 CA VAL A 4 2.038 -4.315 -8.479 1.00 21.25 C ATOM 92 C VAL A 4 3.124 -4.252 -9.566 1.00 0.04 C ATOM 93 O VAL A 4 3.434 -5.260 -10.208 1.00 62.43 O ATOM 94 CB VAL A 4 2.579 -4.914 -7.137 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.110 -6.335 -7.306 1.00 50.31 C ATOM 96 CG2 VAL A 4 3.638 -4.017 -6.505 1.00 13.43 C ATOM 0 H VAL A 4 1.015 -6.064 -9.017 1.00 15.11 H new ATOM 0 HA VAL A 4 1.733 -3.289 -8.271 1.00 21.25 H new ATOM 0 HB VAL A 4 1.726 -4.963 -6.460 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.473 -6.704 -6.347 1.00 50.31 H new ATOM 0 HG12 VAL A 4 2.310 -6.982 -7.665 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.927 -6.335 -8.027 1.00 50.31 H new ATOM 0 HG21 VAL A 4 3.988 -4.467 -5.576 1.00 13.43 H new ATOM 0 HG22 VAL A 4 4.476 -3.904 -7.192 1.00 13.43 H new ATOM 0 HG23 VAL A 4 3.207 -3.038 -6.294 1.00 13.43 H new ATOM 106 N GLU A 5 3.686 -3.053 -9.748 1.00 43.11 N ATOM 107 CA GLU A 5 4.733 -2.818 -10.750 1.00 1.02 C ATOM 108 C GLU A 5 5.996 -2.291 -10.080 1.00 74.44 C ATOM 109 O GLU A 5 5.956 -1.270 -9.389 1.00 42.12 O ATOM 110 CB GLU A 5 4.275 -1.812 -11.828 1.00 22.54 C ATOM 111 CG GLU A 5 2.766 -1.709 -12.013 1.00 62.44 C ATOM 112 CD GLU A 5 2.378 -0.782 -13.148 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.250 -1.266 -14.292 1.00 72.23 O ATOM 114 OE2 GLU A 5 2.201 0.428 -12.892 1.00 20.43 O ATOM 0 H GLU A 5 3.432 -2.224 -9.211 1.00 43.11 H new ATOM 0 HA GLU A 5 4.939 -3.773 -11.234 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.663 -0.826 -11.572 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.724 -2.093 -12.780 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.359 -2.702 -12.205 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.314 -1.353 -11.087 1.00 62.44 H new ATOM 121 N THR A 6 7.118 -2.987 -10.305 1.00 42.11 N ATOM 122 CA THR A 6 8.410 -2.601 -9.727 1.00 74.15 C ATOM 123 C THR A 6 9.027 -1.436 -10.504 1.00 12.12 C ATOM 124 O THR A 6 9.185 -1.502 -11.727 1.00 51.21 O ATOM 125 CB THR A 6 9.395 -3.800 -9.696 1.00 0.24 C ATOM 126 OG1 THR A 6 8.721 -4.973 -9.223 1.00 2.23 O ATOM 127 CG2 THR A 6 10.607 -3.527 -8.800 1.00 50.35 C ATOM 0 H THR A 6 7.156 -3.824 -10.886 1.00 42.11 H new ATOM 0 HA THR A 6 8.227 -2.282 -8.701 1.00 74.15 H new ATOM 0 HB THR A 6 9.752 -3.951 -10.715 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.348 -5.726 -9.207 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.269 -4.393 -8.809 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.145 -2.655 -9.172 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.271 -3.338 -7.781 1.00 50.35 H new ATOM 135 N ILE A 7 9.367 -0.381 -9.766 1.00 11.44 N ATOM 136 CA ILE A 7 9.958 0.826 -10.346 1.00 72.43 C ATOM 137 C ILE A 7 11.433 0.941 -9.951 1.00 45.55 C ATOM 138 O ILE A 7 12.269 1.341 -10.766 1.00 31.04 O ATOM 139 CB ILE A 7 9.195 2.116 -9.917 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.686 1.822 -9.781 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.439 3.241 -10.931 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.906 2.831 -8.952 1.00 14.43 C ATOM 0 H ILE A 7 9.242 -0.337 -8.755 1.00 11.44 H new ATOM 0 HA ILE A 7 9.876 0.735 -11.429 1.00 72.43 H new ATOM 0 HB ILE A 7 9.571 2.441 -8.947 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.248 1.778 -10.778 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.562 0.835 -9.335 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.900 4.136 -10.619 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.506 3.459 -10.983 1.00 0.24 H new ATOM 0 HG23 ILE A 7 9.085 2.929 -11.913 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.857 2.538 -8.915 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.310 2.861 -7.940 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.991 3.818 -9.406 1.00 14.43 H new ATOM 154 N SER A 8 11.735 0.585 -8.697 1.00 5.12 N ATOM 155 CA SER A 8 13.098 0.637 -8.179 1.00 32.42 C ATOM 156 C SER A 8 13.444 -0.665 -7.447 1.00 21.20 C ATOM 157 O SER A 8 12.787 -1.007 -6.459 1.00 31.34 O ATOM 158 CB SER A 8 13.269 1.831 -7.238 1.00 74.32 C ATOM 159 OG SER A 8 14.638 2.079 -6.963 1.00 64.33 O ATOM 0 H SER A 8 11.045 0.256 -8.022 1.00 5.12 H new ATOM 0 HA SER A 8 13.780 0.756 -9.021 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.820 2.717 -7.686 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.737 1.641 -6.306 1.00 74.32 H new ATOM 0 HG SER A 8 14.717 2.848 -6.361 1.00 64.33 H new ATOM 165 N PRO A 9 14.480 -1.418 -7.921 1.00 51.01 N ATOM 166 CA PRO A 9 14.892 -2.689 -7.292 1.00 23.32 C ATOM 167 C PRO A 9 15.588 -2.499 -5.936 1.00 51.21 C ATOM 168 O PRO A 9 16.518 -1.695 -5.814 1.00 32.12 O ATOM 169 CB PRO A 9 15.853 -3.293 -8.322 1.00 21.35 C ATOM 170 CG PRO A 9 16.406 -2.129 -9.068 1.00 44.13 C ATOM 171 CD PRO A 9 15.312 -1.105 -9.113 1.00 61.42 C ATOM 0 HA PRO A 9 14.034 -3.321 -7.062 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.645 -3.862 -7.835 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.333 -3.979 -8.991 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.291 -1.732 -8.570 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.709 -2.419 -10.074 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.711 -0.092 -9.067 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.734 -1.178 -10.034 1.00 61.42 H new ATOM 179 N GLY A 10 15.117 -3.245 -4.931 1.00 11.52 N ATOM 180 CA GLY A 10 15.685 -3.167 -3.593 1.00 4.35 C ATOM 181 C GLY A 10 16.679 -4.281 -3.326 1.00 44.33 C ATOM 182 O GLY A 10 17.675 -4.407 -4.046 1.00 23.33 O ATOM 0 H GLY A 10 14.346 -3.906 -5.024 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.179 -2.204 -3.466 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.883 -3.214 -2.856 1.00 4.35 H new ATOM 186 N ASP A 11 16.412 -5.092 -2.291 1.00 12.02 N ATOM 187 CA ASP A 11 17.284 -6.217 -1.935 1.00 21.40 C ATOM 188 C ASP A 11 16.950 -7.457 -2.773 1.00 61.45 C ATOM 189 O ASP A 11 17.851 -8.114 -3.302 1.00 53.40 O ATOM 190 CB ASP A 11 17.164 -6.537 -0.441 1.00 15.33 C ATOM 191 CG ASP A 11 17.892 -5.532 0.430 1.00 54.04 C ATOM 192 OD1 ASP A 11 19.141 -5.532 0.419 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.215 -4.747 1.126 1.00 3.25 O ATOM 0 H ASP A 11 15.597 -4.988 -1.686 1.00 12.02 H new ATOM 0 HA ASP A 11 18.313 -5.927 -2.150 1.00 21.40 H new ATOM 0 HB2 ASP A 11 16.111 -6.559 -0.161 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.565 -7.533 -0.253 1.00 15.33 H new ATOM 198 N GLY A 12 15.648 -7.762 -2.882 1.00 11.03 N ATOM 199 CA GLY A 12 15.189 -8.909 -3.664 1.00 21.20 C ATOM 200 C GLY A 12 15.189 -10.219 -2.887 1.00 63.51 C ATOM 201 O GLY A 12 14.797 -11.258 -3.426 1.00 45.41 O ATOM 0 H GLY A 12 14.900 -7.229 -2.438 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.180 -8.711 -4.025 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.826 -9.017 -4.542 1.00 21.20 H new ATOM 205 N ARG A 13 15.629 -10.164 -1.624 1.00 44.41 N ATOM 206 CA ARG A 13 15.693 -11.352 -0.761 1.00 43.15 C ATOM 207 C ARG A 13 15.179 -11.054 0.658 1.00 71.41 C ATOM 208 O ARG A 13 15.168 -11.941 1.519 1.00 75.24 O ATOM 209 CB ARG A 13 17.135 -11.914 -0.713 1.00 13.14 C ATOM 210 CG ARG A 13 18.221 -10.889 -0.378 1.00 22.33 C ATOM 211 CD ARG A 13 19.613 -11.480 -0.534 1.00 60.10 C ATOM 212 NE ARG A 13 20.663 -10.506 -0.215 1.00 42.52 N ATOM 213 CZ ARG A 13 21.979 -10.745 -0.305 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.439 -11.929 -0.706 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.841 -9.788 0.009 1.00 61.14 N ATOM 0 H ARG A 13 15.948 -9.306 -1.174 1.00 44.41 H new ATOM 0 HA ARG A 13 15.038 -12.108 -1.194 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.172 -12.714 0.026 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.366 -12.362 -1.679 1.00 13.14 H new ATOM 0 HG2 ARG A 13 18.118 -10.022 -1.030 1.00 22.33 H new ATOM 0 HG3 ARG A 13 18.087 -10.536 0.645 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.713 -12.348 0.118 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.744 -11.833 -1.557 1.00 60.10 H new ATOM 0 HE ARG A 13 20.370 -9.580 0.098 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.786 -12.673 -0.951 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.444 -12.091 -0.768 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.502 -8.877 0.317 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.844 -9.963 -0.057 1.00 61.14 H new ATOM 229 N THR A 14 14.743 -9.809 0.885 1.00 42.14 N ATOM 230 CA THR A 14 14.239 -9.391 2.186 1.00 3.41 C ATOM 231 C THR A 14 12.800 -8.875 2.060 1.00 32.20 C ATOM 232 O THR A 14 12.569 -7.696 1.771 1.00 15.22 O ATOM 233 CB THR A 14 15.153 -8.306 2.812 1.00 43.13 C ATOM 234 OG1 THR A 14 16.530 -8.606 2.542 1.00 71.40 O ATOM 235 CG2 THR A 14 14.955 -8.207 4.320 1.00 52.24 C ATOM 0 H THR A 14 14.732 -9.075 0.177 1.00 42.14 H new ATOM 0 HA THR A 14 14.242 -10.257 2.847 1.00 3.41 H new ATOM 0 HB THR A 14 14.881 -7.351 2.362 1.00 43.13 H new ATOM 0 HG1 THR A 14 17.099 -7.915 2.940 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.612 -7.437 4.723 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.918 -7.948 4.535 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.193 -9.165 4.782 1.00 52.24 H new ATOM 243 N PHE A 15 11.844 -9.782 2.261 1.00 33.20 N ATOM 244 CA PHE A 15 10.422 -9.448 2.179 1.00 11.33 C ATOM 245 C PHE A 15 9.804 -9.333 3.576 1.00 41.44 C ATOM 246 O PHE A 15 10.252 -10.014 4.503 1.00 72.11 O ATOM 247 CB PHE A 15 9.669 -10.508 1.369 1.00 23.11 C ATOM 248 CG PHE A 15 10.095 -10.598 -0.071 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.237 -11.299 -0.429 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.353 -9.980 -1.064 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.631 -11.381 -1.748 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.742 -10.059 -2.388 1.00 12.41 C ATOM 253 CZ PHE A 15 10.883 -10.760 -2.731 1.00 50.43 C ATOM 0 H PHE A 15 12.030 -10.760 2.483 1.00 33.20 H new ATOM 0 HA PHE A 15 10.334 -8.484 1.678 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.813 -11.480 1.841 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.602 -10.289 1.408 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.825 -11.787 0.335 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.461 -9.431 -0.801 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.523 -11.930 -2.013 1.00 21.24 H new ATOM 0 HE2 PHE A 15 9.155 -9.574 -3.154 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.189 -10.822 -3.765 1.00 50.43 H new ATOM 263 N PRO A 16 8.758 -8.468 3.754 1.00 13.34 N ATOM 264 CA PRO A 16 8.089 -8.291 5.057 1.00 31.25 C ATOM 265 C PRO A 16 7.330 -9.545 5.507 1.00 31.31 C ATOM 266 O PRO A 16 6.460 -10.052 4.790 1.00 15.10 O ATOM 267 CB PRO A 16 7.123 -7.116 4.834 1.00 64.23 C ATOM 268 CG PRO A 16 6.964 -6.977 3.354 1.00 2.14 C ATOM 269 CD PRO A 16 8.179 -7.588 2.710 1.00 35.24 C ATOM 0 HA PRO A 16 8.812 -8.104 5.850 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.162 -7.307 5.312 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.519 -6.199 5.270 1.00 64.23 H new ATOM 0 HG2 PRO A 16 6.058 -7.480 3.017 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.869 -5.928 3.075 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.911 -8.155 1.818 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.890 -6.822 2.399 1.00 35.24 H new HETATM 277 N MLY A 17 7.686 -10.035 6.700 1.00 65.54 N HETATM 278 CA MLY A 17 7.075 -11.237 7.281 1.00 1.40 C HETATM 279 CB MLY A 17 8.066 -11.928 8.230 1.00 3.13 C HETATM 280 CG MLY A 17 9.368 -12.353 7.563 1.00 4.51 C HETATM 281 CD MLY A 17 10.222 -13.209 8.487 1.00 62.24 C HETATM 282 CE MLY A 17 11.519 -12.505 8.858 1.00 72.30 C HETATM 283 NZ MLY A 17 12.350 -13.391 9.691 1.00 51.13 N HETATM 284 CH1 MLY A 17 12.593 -12.756 10.996 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.637 -13.636 9.021 1.00 4.23 C HETATM 286 C MLY A 17 5.783 -10.906 8.027 1.00 62.13 C HETATM 287 O MLY A 17 5.567 -9.762 8.441 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.460 -14.109 8.055 1.00 4.23 H new HETATM 0 HH22 MLY A 17 14.156 -12.689 8.872 1.00 4.23 H new HETATM 0 HH21 MLY A 17 14.250 -14.292 9.639 1.00 4.23 H new HETATM 0 HH13 MLY A 17 13.110 -11.808 10.849 1.00 21.43 H new HETATM 0 HH12 MLY A 17 11.641 -12.576 11.496 1.00 21.43 H new HETATM 0 HH11 MLY A 17 13.208 -13.413 11.611 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.145 -12.911 6.653 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.930 -11.468 7.265 1.00 4.51 H new HETATM 0 HE3 MLY A 17 12.062 -12.225 7.955 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.301 -11.583 9.397 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.661 -13.441 9.392 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.448 -14.158 8.000 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.295 -11.252 9.054 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.587 -12.807 8.662 1.00 3.13 H new HETATM 0 HA MLY A 17 6.826 -11.912 6.462 1.00 1.40 H new HETATM 0 H MLY A 17 8.640 -9.776 6.951 1.00 65.54 H new ATOM 304 N ARG A 18 4.933 -11.928 8.192 1.00 75.42 N ATOM 305 CA ARG A 18 3.646 -11.794 8.875 1.00 34.53 C ATOM 306 C ARG A 18 3.829 -11.754 10.401 1.00 50.25 C ATOM 307 O ARG A 18 4.405 -12.674 10.990 1.00 2.04 O ATOM 308 CB ARG A 18 2.741 -12.964 8.462 1.00 61.11 C ATOM 309 CG ARG A 18 1.256 -12.758 8.745 1.00 12.50 C ATOM 310 CD ARG A 18 0.445 -13.988 8.369 1.00 23.10 C ATOM 311 NE ARG A 18 -0.996 -13.773 8.538 1.00 72.31 N ATOM 312 CZ ARG A 18 -1.872 -14.719 8.907 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.476 -15.966 9.156 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.156 -14.411 9.029 1.00 35.44 N ATOM 0 H ARG A 18 5.122 -12.872 7.854 1.00 75.42 H new ATOM 0 HA ARG A 18 3.180 -10.853 8.583 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.871 -13.146 7.395 1.00 61.11 H new ATOM 0 HB3 ARG A 18 3.074 -13.863 8.981 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.113 -12.535 9.802 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.893 -11.896 8.185 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.652 -14.255 7.333 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.760 -14.831 8.984 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.358 -12.836 8.362 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.491 -16.216 9.067 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.158 -16.671 9.436 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.472 -13.459 8.843 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -3.828 -15.126 9.309 1.00 35.44 H new ATOM 328 N GLY A 19 3.336 -10.674 11.019 1.00 24.02 N ATOM 329 CA GLY A 19 3.441 -10.509 12.464 1.00 64.12 C ATOM 330 C GLY A 19 4.262 -9.295 12.871 1.00 64.12 C ATOM 331 O GLY A 19 4.021 -8.713 13.932 1.00 0.22 O ATOM 0 H GLY A 19 2.864 -9.908 10.539 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.440 -10.421 12.887 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.891 -11.404 12.894 1.00 64.12 H new ATOM 335 N GLN A 20 5.229 -8.916 12.026 1.00 1.30 N ATOM 336 CA GLN A 20 6.101 -7.766 12.292 1.00 31.02 C ATOM 337 C GLN A 20 5.596 -6.515 11.566 1.00 45.43 C ATOM 338 O GLN A 20 4.827 -6.615 10.604 1.00 32.11 O ATOM 339 CB GLN A 20 7.562 -8.074 11.896 1.00 72.14 C ATOM 340 CG GLN A 20 7.725 -8.880 10.607 1.00 0.44 C ATOM 341 CD GLN A 20 8.866 -8.380 9.750 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.563 -7.441 8.865 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 10.004 -8.830 9.882 1.00 33.54 N flip ATOM 0 H GLN A 20 5.428 -9.393 11.147 1.00 1.30 H new ATOM 0 HA GLN A 20 6.075 -7.570 13.364 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.100 -7.132 11.788 1.00 72.14 H new ATOM 0 HB3 GLN A 20 8.036 -8.621 12.711 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.895 -9.927 10.857 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.798 -8.835 10.035 1.00 0.44 H new ATOM 0 HE21 GLN A 20 10.189 -9.553 10.577 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.762 -8.480 9.296 1.00 33.54 H new ATOM 352 N THR A 21 6.041 -5.340 12.036 1.00 41.53 N ATOM 353 CA THR A 21 5.638 -4.055 11.452 1.00 5.30 C ATOM 354 C THR A 21 6.477 -3.714 10.219 1.00 73.13 C ATOM 355 O THR A 21 7.669 -4.032 10.160 1.00 42.40 O ATOM 356 CB THR A 21 5.746 -2.896 12.473 1.00 62.42 C ATOM 357 OG1 THR A 21 5.735 -3.403 13.815 1.00 0.54 O ATOM 358 CG2 THR A 21 4.595 -1.911 12.302 1.00 71.14 C ATOM 0 H THR A 21 6.684 -5.255 12.823 1.00 41.53 H new ATOM 0 HA THR A 21 4.594 -4.167 11.158 1.00 5.30 H new ATOM 0 HB THR A 21 6.688 -2.380 12.288 1.00 62.42 H new ATOM 0 HG1 THR A 21 5.806 -2.657 14.447 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.693 -1.106 13.031 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.620 -1.494 11.295 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.648 -2.428 12.458 1.00 71.14 H new ATOM 366 N CYS A 22 5.834 -3.064 9.244 1.00 42.51 N ATOM 367 CA CYS A 22 6.485 -2.672 8.001 1.00 32.11 C ATOM 368 C CYS A 22 6.418 -1.160 7.811 1.00 1.42 C ATOM 369 O CYS A 22 5.331 -0.581 7.705 1.00 21.41 O ATOM 370 CB CYS A 22 5.829 -3.381 6.810 1.00 52.32 C ATOM 371 SG CYS A 22 6.711 -3.168 5.246 1.00 70.12 S ATOM 0 H CYS A 22 4.851 -2.798 9.299 1.00 42.51 H new ATOM 0 HA CYS A 22 7.533 -2.968 8.056 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.755 -4.446 7.031 1.00 52.32 H new ATOM 0 HB3 CYS A 22 4.811 -3.008 6.695 1.00 52.32 H new ATOM 0 HG CYS A 22 6.082 -3.804 4.303 1.00 70.12 H new ATOM 377 N VAL A 23 7.595 -0.530 7.784 1.00 22.12 N ATOM 378 CA VAL A 23 7.707 0.923 7.593 1.00 41.54 C ATOM 379 C VAL A 23 7.832 1.233 6.100 1.00 42.33 C ATOM 380 O VAL A 23 8.850 0.916 5.474 1.00 53.12 O ATOM 381 CB VAL A 23 8.924 1.531 8.356 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.867 3.059 8.369 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.024 0.974 9.774 1.00 4.23 C ATOM 0 H VAL A 23 8.491 -1.005 7.893 1.00 22.12 H new ATOM 0 HA VAL A 23 6.805 1.378 8.002 1.00 41.54 H new ATOM 0 HB VAL A 23 9.826 1.238 7.819 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.729 3.451 8.908 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.879 3.432 7.345 1.00 63.04 H new ATOM 0 HG13 VAL A 23 7.952 3.385 8.863 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.882 1.417 10.279 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.115 1.215 10.324 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.147 -0.108 9.732 1.00 4.23 H new ATOM 393 N VAL A 24 6.784 1.843 5.540 1.00 14.00 N ATOM 394 CA VAL A 24 6.758 2.187 4.114 1.00 22.54 C ATOM 395 C VAL A 24 5.976 3.477 3.864 1.00 24.45 C ATOM 396 O VAL A 24 5.074 3.826 4.632 1.00 4.04 O ATOM 397 CB VAL A 24 6.163 1.043 3.220 1.00 30.52 C ATOM 398 CG1 VAL A 24 7.060 -0.186 3.220 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.757 0.636 3.650 1.00 42.42 C ATOM 0 H VAL A 24 5.942 2.109 6.051 1.00 14.00 H new ATOM 0 HA VAL A 24 7.800 2.330 3.829 1.00 22.54 H new ATOM 0 HB VAL A 24 6.107 1.452 2.211 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.618 -0.959 2.591 1.00 13.53 H new ATOM 0 HG12 VAL A 24 8.043 0.081 2.831 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.163 -0.561 4.238 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.393 -0.158 2.998 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.780 0.279 4.680 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.092 1.496 3.580 1.00 42.42 H new ATOM 409 N HIS A 25 6.337 4.167 2.783 1.00 54.10 N ATOM 410 CA HIS A 25 5.672 5.404 2.388 1.00 74.10 C ATOM 411 C HIS A 25 4.731 5.124 1.220 1.00 33.22 C ATOM 412 O HIS A 25 5.156 4.587 0.192 1.00 41.11 O ATOM 413 CB HIS A 25 6.716 6.452 2.000 1.00 2.24 C ATOM 414 CG HIS A 25 7.006 7.446 3.079 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.086 8.354 3.547 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.143 7.666 3.790 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.677 9.080 4.503 1.00 31.32 C ATOM 418 NE2 HIS A 25 7.925 8.703 4.689 1.00 4.31 N ATOM 0 H HIS A 25 7.094 3.885 2.161 1.00 54.10 H new ATOM 0 HA HIS A 25 5.089 5.791 3.224 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.642 5.945 1.728 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.371 6.983 1.113 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.069 7.122 3.675 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.192 9.874 5.052 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.593 9.092 5.355 1.00 4.31 H new ATOM 426 N TYR A 26 3.456 5.491 1.383 1.00 62.35 N ATOM 427 CA TYR A 26 2.448 5.256 0.349 1.00 21.44 C ATOM 428 C TYR A 26 1.887 6.562 -0.223 1.00 74.34 C ATOM 429 O TYR A 26 2.093 7.643 0.339 1.00 64.11 O ATOM 430 CB TYR A 26 1.315 4.365 0.904 1.00 4.12 C ATOM 431 CG TYR A 26 0.401 5.034 1.917 1.00 41.22 C ATOM 432 CD1 TYR A 26 0.682 4.996 3.275 1.00 24.15 C ATOM 433 CD2 TYR A 26 -0.748 5.697 1.501 1.00 5.22 C ATOM 434 CE1 TYR A 26 -0.160 5.604 4.191 1.00 73.10 C ATOM 435 CE2 TYR A 26 -1.589 6.307 2.408 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.292 6.258 3.752 1.00 12.10 C ATOM 437 OH TYR A 26 -2.130 6.862 4.660 1.00 1.22 O ATOM 0 H TYR A 26 3.100 5.951 2.221 1.00 62.35 H new ATOM 0 HA TYR A 26 2.937 4.737 -0.475 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.709 4.014 0.069 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.761 3.485 1.367 1.00 4.12 H new ATOM 0 HD1 TYR A 26 1.568 4.486 3.622 1.00 24.15 H new ATOM 0 HD2 TYR A 26 -0.986 5.735 0.448 1.00 5.22 H new ATOM 0 HE1 TYR A 26 0.069 5.566 5.246 1.00 73.10 H new ATOM 0 HE2 TYR A 26 -2.476 6.820 2.066 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.880 7.279 4.186 1.00 1.22 H new ATOM 447 N THR A 27 1.175 6.431 -1.349 1.00 54.44 N ATOM 448 CA THR A 27 0.543 7.559 -2.026 1.00 13.54 C ATOM 449 C THR A 27 -0.750 7.089 -2.703 1.00 42.43 C ATOM 450 O THR A 27 -0.709 6.393 -3.725 1.00 34.01 O ATOM 451 CB THR A 27 1.486 8.205 -3.078 1.00 41.24 C ATOM 452 OG1 THR A 27 2.853 8.091 -2.660 1.00 5.33 O ATOM 453 CG2 THR A 27 1.152 9.677 -3.282 1.00 10.41 C ATOM 0 H THR A 27 1.023 5.536 -1.814 1.00 54.44 H new ATOM 0 HA THR A 27 0.318 8.318 -1.277 1.00 13.54 H new ATOM 0 HB THR A 27 1.343 7.674 -4.019 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.436 8.501 -3.333 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.827 10.104 -4.023 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.124 9.772 -3.631 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.266 10.210 -2.338 1.00 10.41 H new ATOM 461 N GLY A 28 -1.893 7.464 -2.113 1.00 62.24 N ATOM 462 CA GLY A 28 -3.190 7.075 -2.656 1.00 22.33 C ATOM 463 C GLY A 28 -3.741 8.090 -3.642 1.00 23.41 C ATOM 464 O GLY A 28 -4.021 9.236 -3.278 1.00 74.50 O ATOM 0 H GLY A 28 -1.941 8.032 -1.267 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.097 6.108 -3.150 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.899 6.948 -1.838 1.00 22.33 H new ATOM 468 N MET A 29 -3.891 7.649 -4.893 1.00 72.23 N ATOM 469 CA MET A 29 -4.394 8.489 -5.980 1.00 35.31 C ATOM 470 C MET A 29 -5.482 7.771 -6.758 1.00 35.15 C ATOM 471 O MET A 29 -5.341 6.592 -7.097 1.00 40.34 O ATOM 472 CB MET A 29 -3.245 8.872 -6.917 1.00 63.22 C ATOM 473 CG MET A 29 -2.317 9.941 -6.366 1.00 23.45 C ATOM 474 SD MET A 29 -0.721 9.992 -7.219 1.00 60.11 S ATOM 475 CE MET A 29 0.049 8.468 -6.656 1.00 24.43 C ATOM 0 H MET A 29 -3.666 6.697 -5.180 1.00 72.23 H new ATOM 0 HA MET A 29 -4.822 9.393 -5.547 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.660 7.979 -7.139 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.663 9.222 -7.861 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.800 10.914 -6.451 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.151 9.759 -5.304 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.133 8.565 -6.715 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.242 8.273 -5.624 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.276 7.641 -7.287 1.00 24.43 H new ATOM 485 N LEU A 30 -6.575 8.499 -7.032 1.00 40.05 N ATOM 486 CA LEU A 30 -7.725 7.973 -7.786 1.00 32.04 C ATOM 487 C LEU A 30 -7.324 7.434 -9.168 1.00 0.41 C ATOM 488 O LEU A 30 -6.177 7.597 -9.597 1.00 4.33 O ATOM 489 CB LEU A 30 -8.778 9.082 -7.955 1.00 20.24 C ATOM 490 CG LEU A 30 -9.787 9.222 -6.810 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.443 10.593 -6.846 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.847 8.130 -6.884 1.00 0.13 C ATOM 0 H LEU A 30 -6.687 9.469 -6.737 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.135 7.139 -7.216 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.260 10.033 -8.077 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.327 8.898 -8.878 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.248 9.114 -5.869 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.157 10.676 -6.026 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.680 11.364 -6.742 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -10.963 10.723 -7.795 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.552 8.250 -6.061 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.380 8.204 -7.832 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.369 7.153 -6.812 1.00 0.13 H new ATOM 504 N GLU A 31 -8.287 6.789 -9.859 1.00 10.33 N ATOM 505 CA GLU A 31 -8.074 6.228 -11.200 1.00 40.43 C ATOM 506 C GLU A 31 -7.574 7.288 -12.191 1.00 13.34 C ATOM 507 O GLU A 31 -6.889 6.965 -13.166 1.00 3.22 O ATOM 508 CB GLU A 31 -9.379 5.618 -11.709 1.00 23.24 C ATOM 509 CG GLU A 31 -9.174 4.341 -12.495 1.00 62.31 C ATOM 510 CD GLU A 31 -10.477 3.723 -12.963 1.00 4.43 C ATOM 511 OE1 GLU A 31 -10.924 4.054 -14.081 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.050 2.907 -12.211 1.00 72.00 O ATOM 0 H GLU A 31 -9.231 6.645 -9.500 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.305 5.459 -11.125 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.032 5.414 -10.861 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -9.892 6.346 -12.338 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.545 4.550 -13.360 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.637 3.621 -11.877 1.00 62.31 H new ATOM 519 N ASP A 32 -7.930 8.549 -11.920 1.00 34.23 N ATOM 520 CA ASP A 32 -7.522 9.679 -12.748 1.00 2.24 C ATOM 521 C ASP A 32 -6.171 10.249 -12.295 1.00 23.33 C ATOM 522 O ASP A 32 -5.525 10.978 -13.055 1.00 53.30 O ATOM 523 CB ASP A 32 -8.589 10.773 -12.702 1.00 52.51 C ATOM 524 CG ASP A 32 -9.824 10.418 -13.508 1.00 32.21 C ATOM 525 OD1 ASP A 32 -10.752 9.808 -12.936 1.00 41.21 O ATOM 526 OD2 ASP A 32 -9.863 10.749 -14.712 1.00 44.13 O ATOM 0 H ASP A 32 -8.508 8.810 -11.121 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.411 9.321 -13.771 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -8.875 10.953 -11.666 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.167 11.703 -13.082 1.00 52.51 H new ATOM 531 N GLY A 33 -5.748 9.917 -11.059 1.00 51.42 N ATOM 532 CA GLY A 33 -4.467 10.396 -10.557 1.00 4.22 C ATOM 533 C GLY A 33 -4.600 11.494 -9.519 1.00 24.43 C ATOM 534 O GLY A 33 -3.614 12.165 -9.199 1.00 35.01 O ATOM 0 H GLY A 33 -6.271 9.330 -10.409 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -3.920 9.560 -10.122 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -3.873 10.766 -11.393 1.00 4.22 H new HETATM 538 N MLY A 34 -5.818 11.680 -8.992 1.00 33.34 N HETATM 539 CA MLY A 34 -6.078 12.703 -7.983 1.00 10.41 C HETATM 540 CB MLY A 34 -7.490 13.278 -8.146 1.00 31.10 C HETATM 541 CG MLY A 34 -7.616 14.264 -9.300 1.00 32.53 C HETATM 542 CD MLY A 34 -8.758 15.250 -9.084 1.00 45.44 C HETATM 543 CE MLY A 34 -8.244 16.619 -8.655 1.00 24.42 C HETATM 544 NZ MLY A 34 -9.372 17.553 -8.502 1.00 25.53 N HETATM 545 CH1 MLY A 34 -9.209 18.682 -9.433 1.00 63.25 C HETATM 546 CH2 MLY A 34 -9.408 18.062 -7.122 1.00 35.50 C HETATM 547 C MLY A 34 -5.895 12.127 -6.582 1.00 13.44 C HETATM 548 O MLY A 34 -6.660 11.254 -6.153 1.00 42.22 O HETATM 0 HH23 MLY A 34 -9.532 17.229 -6.430 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -8.476 18.582 -6.901 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -10.244 18.753 -7.011 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -8.276 19.202 -9.214 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -9.185 18.309 -10.457 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -10.045 19.372 -9.318 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -6.680 14.812 -9.413 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -7.780 13.717 -10.228 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -7.701 16.534 -7.714 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -7.542 17.002 -9.395 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -9.333 15.349 -10.005 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -9.436 14.861 -8.325 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.192 12.458 -8.301 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -7.780 13.775 -7.220 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.361 13.512 -8.122 1.00 10.41 H new HETATM 0 H MLY A 34 -6.537 11.443 -9.675 1.00 33.34 H new HETATM 565 N MLY A 35 -4.860 12.612 -5.879 1.00 11.11 N HETATM 566 CA MLY A 35 -4.544 12.165 -4.525 1.00 61.33 C HETATM 567 CB MLY A 35 -3.320 12.895 -4.000 1.00 75.25 C HETATM 568 CG MLY A 35 -2.402 11.994 -3.205 1.00 53.41 C HETATM 569 CD MLY A 35 -1.502 12.798 -2.273 1.00 45.12 C HETATM 570 CE MLY A 35 -0.148 13.051 -2.907 1.00 62.43 C HETATM 571 NZ MLY A 35 0.749 13.754 -1.965 1.00 22.02 N HETATM 572 CH1 MLY A 35 0.890 15.165 -2.376 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.077 13.116 -1.979 1.00 55.25 C HETATM 574 C MLY A 35 -5.693 12.368 -3.551 1.00 41.14 C HETATM 575 O MLY A 35 -6.462 13.328 -3.662 1.00 10.14 O HETATM 0 HH23 MLY A 35 1.982 12.072 -1.679 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.495 13.168 -2.984 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.737 13.635 -1.284 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.311 15.211 -3.380 1.00 0.41 H new HETATM 0 HH12 MLY A 35 -0.089 15.645 -2.371 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.551 15.682 -1.681 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.996 11.290 -2.622 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.789 11.405 -3.887 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.301 12.104 -3.206 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.271 13.646 -3.812 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.978 13.749 -2.033 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.373 12.260 -1.334 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.768 13.321 -4.838 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.639 13.727 -3.372 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.350 11.095 -4.594 1.00 61.33 H new HETATM 0 H MLY A 35 -4.282 13.321 -6.330 1.00 11.11 H new ATOM 592 N PHE A 36 -5.785 11.442 -2.603 1.00 13.53 N ATOM 593 CA PHE A 36 -6.811 11.482 -1.576 1.00 33.32 C ATOM 594 C PHE A 36 -6.208 11.274 -0.182 1.00 4.15 C ATOM 595 O PHE A 36 -6.861 11.583 0.819 1.00 61.44 O ATOM 596 CB PHE A 36 -7.930 10.460 -1.868 1.00 44.41 C ATOM 597 CG PHE A 36 -7.484 9.042 -2.144 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.437 8.562 -3.443 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.144 8.190 -1.106 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.060 7.258 -3.702 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.760 6.886 -1.358 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.721 6.418 -2.659 1.00 32.03 C ATOM 0 H PHE A 36 -5.151 10.646 -2.528 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.262 12.474 -1.592 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.611 10.445 -1.017 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.501 10.813 -2.727 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.698 9.215 -4.263 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.179 8.549 -0.088 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -7.030 6.896 -4.719 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.491 6.234 -0.540 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.426 5.398 -2.859 1.00 32.03 H new ATOM 612 N ASP A 37 -4.949 10.764 -0.124 1.00 71.54 N ATOM 613 CA ASP A 37 -4.240 10.518 1.155 1.00 12.22 C ATOM 614 C ASP A 37 -2.881 9.846 0.937 1.00 5.44 C ATOM 615 O ASP A 37 -2.804 8.682 0.525 1.00 15.20 O ATOM 616 CB ASP A 37 -5.067 9.646 2.123 1.00 35.30 C ATOM 617 CG ASP A 37 -5.559 10.425 3.328 1.00 41.23 C ATOM 618 OD1 ASP A 37 -6.746 10.812 3.342 1.00 70.34 O ATOM 619 OD2 ASP A 37 -4.756 10.647 4.259 1.00 70.24 O ATOM 0 H ASP A 37 -4.406 10.516 -0.951 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.091 11.502 1.599 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.921 9.228 1.591 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.459 8.806 2.460 1.00 35.30 H new ATOM 624 N SER A 38 -1.817 10.607 1.200 1.00 35.14 N ATOM 625 CA SER A 38 -0.444 10.106 1.103 1.00 72.05 C ATOM 626 C SER A 38 0.274 10.295 2.438 1.00 61.33 C ATOM 627 O SER A 38 0.053 11.290 3.133 1.00 53.42 O ATOM 628 CB SER A 38 0.316 10.796 -0.032 1.00 1.53 C ATOM 629 OG SER A 38 1.640 10.301 -0.147 1.00 1.21 O ATOM 0 H SER A 38 -1.882 11.584 1.485 1.00 35.14 H new ATOM 0 HA SER A 38 -0.478 9.041 0.872 1.00 72.05 H new ATOM 0 HB2 SER A 38 -0.214 10.643 -0.972 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.343 11.871 0.147 1.00 1.53 H new ATOM 0 HG SER A 38 1.667 9.367 0.148 1.00 1.21 H new ATOM 635 N SER A 39 1.124 9.327 2.788 1.00 34.10 N ATOM 636 CA SER A 39 1.883 9.357 4.050 1.00 3.40 C ATOM 637 C SER A 39 3.105 10.285 3.988 1.00 71.04 C ATOM 638 O SER A 39 3.558 10.787 5.019 1.00 14.42 O ATOM 639 CB SER A 39 2.331 7.943 4.430 1.00 71.12 C ATOM 640 OG SER A 39 3.099 7.352 3.397 1.00 65.25 O ATOM 0 H SER A 39 1.308 8.505 2.213 1.00 34.10 H new ATOM 0 HA SER A 39 1.211 9.755 4.811 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.918 7.979 5.347 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.457 7.325 4.635 1.00 71.12 H new ATOM 0 HG SER A 39 4.020 7.684 3.443 1.00 65.25 H new ATOM 646 N ARG A 40 3.618 10.519 2.773 1.00 52.53 N ATOM 647 CA ARG A 40 4.805 11.364 2.568 1.00 1.22 C ATOM 648 C ARG A 40 4.458 12.858 2.527 1.00 23.13 C ATOM 649 O ARG A 40 5.308 13.695 2.845 1.00 22.12 O ATOM 650 CB ARG A 40 5.563 10.953 1.292 1.00 50.10 C ATOM 651 CG ARG A 40 4.679 10.834 0.060 1.00 40.44 C ATOM 652 CD ARG A 40 5.369 11.374 -1.182 1.00 34.30 C ATOM 653 NE ARG A 40 4.571 11.155 -2.394 1.00 13.41 N ATOM 654 CZ ARG A 40 4.882 11.628 -3.610 1.00 54.32 C ATOM 655 NH1 ARG A 40 5.980 12.357 -3.805 1.00 24.54 N ATOM 656 NH2 ARG A 40 4.086 11.367 -4.637 1.00 51.01 N ATOM 0 H ARG A 40 3.228 10.134 1.913 1.00 52.53 H new ATOM 0 HA ARG A 40 5.455 11.205 3.428 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.347 11.685 1.095 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.056 9.997 1.467 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.413 9.789 -0.097 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.749 11.378 0.225 1.00 40.44 H new ATOM 0 HD2 ARG A 40 5.555 12.441 -1.058 1.00 34.30 H new ATOM 0 HD3 ARG A 40 6.340 10.892 -1.295 1.00 34.30 H new ATOM 0 HE ARG A 40 3.718 10.603 -2.305 1.00 13.41 H new ATOM 0 HH11 ARG A 40 6.600 12.564 -3.022 1.00 24.54 H new ATOM 0 HH12 ARG A 40 6.200 12.708 -4.737 1.00 24.54 H new ATOM 0 HH21 ARG A 40 3.243 10.810 -4.500 1.00 51.01 H new ATOM 0 HH22 ARG A 40 4.317 11.724 -5.564 1.00 51.01 H new ATOM 670 N ASP A 41 3.210 13.191 2.135 1.00 23.13 N ATOM 671 CA ASP A 41 2.770 14.598 2.084 1.00 52.45 C ATOM 672 C ASP A 41 2.625 15.174 3.502 1.00 31.20 C ATOM 673 O ASP A 41 2.593 16.393 3.695 1.00 42.45 O ATOM 674 CB ASP A 41 1.466 14.759 1.269 1.00 64.34 C ATOM 675 CG ASP A 41 0.265 13.974 1.793 1.00 34.14 C ATOM 676 OD1 ASP A 41 -0.510 13.465 0.957 1.00 51.32 O ATOM 677 OD2 ASP A 41 0.089 13.886 3.025 1.00 2.32 O ATOM 0 H ASP A 41 2.500 12.515 1.853 1.00 23.13 H new ATOM 0 HA ASP A 41 3.540 15.170 1.566 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.203 15.816 1.241 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.659 14.451 0.241 1.00 64.34 H new ATOM 682 N ARG A 42 2.539 14.259 4.475 1.00 55.15 N ATOM 683 CA ARG A 42 2.438 14.600 5.893 1.00 51.54 C ATOM 684 C ARG A 42 3.826 14.522 6.539 1.00 4.45 C ATOM 685 O ARG A 42 4.005 14.887 7.705 1.00 25.12 O ATOM 686 CB ARG A 42 1.481 13.638 6.605 1.00 71.30 C ATOM 687 CG ARG A 42 0.038 13.739 6.129 1.00 51.14 C ATOM 688 CD ARG A 42 -0.802 14.595 7.063 1.00 2.40 C ATOM 689 NE ARG A 42 -2.190 14.711 6.604 1.00 12.24 N ATOM 690 CZ ARG A 42 -3.128 15.470 7.189 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.849 16.198 8.269 1.00 24.54 N ATOM 692 NH2 ARG A 42 -4.354 15.500 6.686 1.00 13.42 N ATOM 0 H ARG A 42 2.538 13.255 4.296 1.00 55.15 H new ATOM 0 HA ARG A 42 2.049 15.614 5.986 1.00 51.54 H new ATOM 0 HB2 ARG A 42 1.831 12.617 6.457 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.514 13.834 7.677 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.014 14.164 5.126 1.00 51.14 H new ATOM 0 HG3 ARG A 42 -0.394 12.741 6.063 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.786 14.162 8.063 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.361 15.589 7.138 1.00 2.40 H new ATOM 0 HE ARG A 42 -2.462 14.175 5.780 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -1.909 16.184 8.665 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.575 16.769 8.700 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -4.579 14.948 5.859 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -5.072 16.075 7.126 1.00 13.42 H new ATOM 706 N ASN A 43 4.809 14.036 5.742 1.00 54.33 N ATOM 707 CA ASN A 43 6.220 13.867 6.159 1.00 4.33 C ATOM 708 C ASN A 43 6.370 12.786 7.244 1.00 11.11 C ATOM 709 O ASN A 43 7.150 12.941 8.194 1.00 34.31 O ATOM 710 CB ASN A 43 6.836 15.206 6.622 1.00 24.02 C ATOM 711 CG ASN A 43 6.998 16.199 5.486 1.00 72.44 C ATOM 712 OD1 ASN A 43 8.032 16.235 4.819 1.00 40.11 O ATOM 713 ND2 ASN A 43 5.972 17.013 5.262 1.00 53.22 N ATOM 0 H ASN A 43 4.640 13.747 4.779 1.00 54.33 H new ATOM 0 HA ASN A 43 6.773 13.530 5.283 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.204 15.644 7.395 1.00 24.02 H new ATOM 0 HB3 ASN A 43 7.809 15.016 7.075 1.00 24.02 H new ATOM 0 HD21 ASN A 43 6.022 17.703 4.512 1.00 53.22 H new ATOM 0 HD22 ASN A 43 5.134 16.948 5.840 1.00 53.22 H new HETATM 720 N MLY A 44 5.626 11.672 7.085 1.00 34.54 N HETATM 721 CA MLY A 44 5.676 10.564 8.060 1.00 24.12 C HETATM 722 CB MLY A 44 4.725 10.815 9.239 1.00 25.45 C HETATM 723 CG MLY A 44 5.317 11.695 10.334 1.00 5.24 C HETATM 724 CD MLY A 44 4.771 13.112 10.265 1.00 1.13 C HETATM 725 CE MLY A 44 5.594 14.068 11.119 1.00 34.53 C HETATM 726 NZ MLY A 44 4.700 14.983 11.850 1.00 51.05 N HETATM 727 CH1 MLY A 44 5.000 16.373 11.472 1.00 12.22 C HETATM 728 CH2 MLY A 44 4.902 14.817 13.298 1.00 50.43 C HETATM 729 C MLY A 44 5.337 9.218 7.411 1.00 2.04 C HETATM 730 O MLY A 44 4.280 9.080 6.790 1.00 74.11 O HETATM 0 HH23 MLY A 44 4.678 13.789 13.581 1.00 50.43 H new HETATM 0 HH22 MLY A 44 5.938 15.045 13.549 1.00 50.43 H new HETATM 0 HH21 MLY A 44 4.240 15.494 13.838 1.00 50.43 H new HETATM 0 HH13 MLY A 44 6.036 16.603 11.722 1.00 12.22 H new HETATM 0 HH12 MLY A 44 4.849 16.499 10.400 1.00 12.22 H new HETATM 0 HH11 MLY A 44 4.338 17.048 12.014 1.00 12.22 H new HETATM 0 HG3 MLY A 44 5.092 11.264 11.310 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.403 11.717 10.238 1.00 5.24 H new HETATM 0 HE3 MLY A 44 6.207 13.505 11.823 1.00 34.53 H new HETATM 0 HE2 MLY A 44 6.276 14.638 10.488 1.00 34.53 H new HETATM 0 HD3 MLY A 44 4.772 13.454 9.230 1.00 1.13 H new HETATM 0 HD2 MLY A 44 3.735 13.121 10.602 1.00 1.13 H new HETATM 0 HB3 MLY A 44 3.814 11.281 8.865 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.438 9.857 9.672 1.00 25.45 H new HETATM 0 HA MLY A 44 6.700 10.523 8.430 1.00 24.12 H new ATOM 747 N PRO A 45 6.233 8.190 7.552 1.00 62.03 N ATOM 748 CA PRO A 45 6.009 6.852 6.971 1.00 10.31 C ATOM 749 C PRO A 45 4.907 6.069 7.691 1.00 72.54 C ATOM 750 O PRO A 45 4.592 6.351 8.851 1.00 63.34 O ATOM 751 CB PRO A 45 7.363 6.153 7.128 1.00 65.23 C ATOM 752 CG PRO A 45 8.042 6.845 8.261 1.00 52.33 C ATOM 753 CD PRO A 45 7.527 8.260 8.278 1.00 64.14 C ATOM 0 HA PRO A 45 5.671 6.917 5.937 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.234 5.091 7.338 1.00 65.23 H new ATOM 0 HB3 PRO A 45 7.951 6.228 6.214 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.827 6.344 9.205 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.124 6.829 8.131 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.392 8.622 9.297 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.222 8.942 7.787 1.00 64.14 H new ATOM 761 N PHE A 46 4.334 5.091 6.988 1.00 52.43 N ATOM 762 CA PHE A 46 3.254 4.272 7.535 1.00 12.42 C ATOM 763 C PHE A 46 3.742 2.885 7.962 1.00 54.51 C ATOM 764 O PHE A 46 4.235 2.101 7.143 1.00 73.33 O ATOM 765 CB PHE A 46 2.132 4.148 6.500 1.00 50.23 C ATOM 766 CG PHE A 46 0.788 3.802 7.089 1.00 55.12 C ATOM 767 CD1 PHE A 46 -0.051 4.791 7.581 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.369 2.484 7.149 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.281 4.469 8.122 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.860 2.156 7.688 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.686 3.148 8.176 1.00 10.44 C ATOM 0 H PHE A 46 4.602 4.847 6.035 1.00 52.43 H new ATOM 0 HA PHE A 46 2.877 4.767 8.430 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.047 5.089 5.957 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.406 3.384 5.773 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.261 5.824 7.541 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.011 1.703 6.770 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.925 5.248 8.502 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.174 1.123 7.727 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.646 2.893 8.599 1.00 10.44 H new HETATM 781 N MLY A 47 3.603 2.611 9.261 1.00 21.12 N HETATM 782 CA MLY A 47 3.987 1.325 9.848 1.00 63.34 C HETATM 783 CB MLY A 47 4.808 1.550 11.124 1.00 43.31 C HETATM 784 CG MLY A 47 5.764 2.726 11.012 1.00 32.35 C HETATM 785 CD MLY A 47 6.752 2.794 12.149 1.00 72.20 C HETATM 786 CE MLY A 47 7.943 3.634 11.734 1.00 42.23 C HETATM 787 NZ MLY A 47 8.851 3.839 12.874 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.836 5.257 13.270 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.217 3.457 12.488 1.00 74.45 C HETATM 790 C MLY A 47 2.738 0.508 10.164 1.00 63.22 C HETATM 791 O MLY A 47 1.785 1.030 10.749 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.232 2.407 12.196 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.543 4.072 11.649 1.00 74.45 H new HETATM 0 HH21 MLY A 47 10.890 3.609 13.332 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.163 5.872 12.432 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.824 5.544 13.557 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.509 5.406 14.114 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.307 2.657 10.070 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.190 3.652 10.981 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.476 3.142 10.920 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.602 4.597 11.355 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.279 3.226 13.031 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.079 1.790 12.422 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.130 1.717 11.961 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.375 0.647 11.349 1.00 43.31 H new HETATM 0 HA MLY A 47 4.599 0.776 9.132 1.00 63.34 H new HETATM 0 H MLY A 47 3.888 3.482 9.709 1.00 21.12 H new ATOM 808 N PHE A 48 2.748 -0.775 9.772 1.00 63.04 N ATOM 809 CA PHE A 48 1.604 -1.671 9.999 1.00 23.12 C ATOM 810 C PHE A 48 2.059 -3.127 10.180 1.00 45.43 C ATOM 811 O PHE A 48 3.181 -3.482 9.812 1.00 53.22 O ATOM 812 CB PHE A 48 0.596 -1.560 8.828 1.00 60.34 C ATOM 813 CG PHE A 48 1.112 -2.063 7.500 1.00 23.12 C ATOM 814 CD1 PHE A 48 0.783 -3.333 7.060 1.00 65.44 C ATOM 815 CD2 PHE A 48 1.926 -1.272 6.703 1.00 64.54 C ATOM 816 CE1 PHE A 48 1.252 -3.807 5.853 1.00 53.32 C ATOM 817 CE2 PHE A 48 2.399 -1.742 5.492 1.00 73.33 C ATOM 818 CZ PHE A 48 2.061 -3.012 5.068 1.00 3.21 C ATOM 0 H PHE A 48 3.536 -1.215 9.296 1.00 63.04 H new ATOM 0 HA PHE A 48 1.112 -1.361 10.921 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.304 -2.118 9.087 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.303 -0.516 8.717 1.00 60.34 H new ATOM 0 HD1 PHE A 48 0.151 -3.961 7.670 1.00 65.44 H new ATOM 0 HD2 PHE A 48 2.193 -0.279 7.032 1.00 64.54 H new ATOM 0 HE1 PHE A 48 0.986 -4.800 5.522 1.00 53.32 H new ATOM 0 HE2 PHE A 48 3.032 -1.117 4.879 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.430 -3.382 4.123 1.00 3.21 H new ATOM 828 N MET A 49 1.170 -3.957 10.739 1.00 33.23 N ATOM 829 CA MET A 49 1.456 -5.372 10.959 1.00 71.14 C ATOM 830 C MET A 49 0.688 -6.240 9.968 1.00 22.43 C ATOM 831 O MET A 49 -0.513 -6.041 9.759 1.00 41.24 O ATOM 832 CB MET A 49 1.088 -5.774 12.386 1.00 22.35 C ATOM 833 CG MET A 49 2.279 -5.912 13.311 1.00 60.11 C ATOM 834 SD MET A 49 1.793 -6.083 15.037 1.00 51.55 S ATOM 835 CE MET A 49 3.394 -6.278 15.808 1.00 63.41 C ATOM 0 H MET A 49 0.242 -3.666 11.047 1.00 33.23 H new ATOM 0 HA MET A 49 2.524 -5.527 10.807 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.405 -5.031 12.798 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.550 -6.721 12.359 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.867 -6.781 13.014 1.00 60.11 H new ATOM 0 HG3 MET A 49 2.923 -5.039 13.203 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.384 -7.159 16.450 1.00 63.41 H new ATOM 0 HE2 MET A 49 4.156 -6.399 15.038 1.00 63.41 H new ATOM 0 HE3 MET A 49 3.620 -5.395 16.406 1.00 63.41 H new ATOM 845 N LEU A 50 1.395 -7.202 9.362 1.00 22.40 N ATOM 846 CA LEU A 50 0.803 -8.129 8.390 1.00 23.24 C ATOM 847 C LEU A 50 0.031 -9.247 9.078 1.00 71.40 C ATOM 848 O LEU A 50 0.454 -9.756 10.120 1.00 63.44 O ATOM 849 CB LEU A 50 1.900 -8.753 7.508 1.00 74.22 C ATOM 850 CG LEU A 50 2.173 -8.109 6.133 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.906 -7.961 5.306 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.894 -6.776 6.280 1.00 72.11 C ATOM 0 H LEU A 50 2.389 -7.359 9.531 1.00 22.40 H new ATOM 0 HA LEU A 50 0.112 -7.552 7.776 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.831 -8.741 8.074 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.641 -9.799 7.342 1.00 74.22 H new ATOM 0 HG LEU A 50 2.830 -8.789 5.590 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.149 -7.503 4.347 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.465 -8.943 5.138 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.195 -7.330 5.840 1.00 23.44 H new ATOM 0 HD21 LEU A 50 3.072 -6.348 5.294 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.280 -6.093 6.867 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.847 -6.932 6.785 1.00 72.11 H new ATOM 864 N GLY A 51 -1.106 -9.615 8.479 1.00 35.24 N ATOM 865 CA GLY A 51 -1.946 -10.675 9.021 1.00 71.31 C ATOM 866 C GLY A 51 -2.873 -10.205 10.137 1.00 50.01 C ATOM 867 O GLY A 51 -3.783 -10.938 10.536 1.00 31.34 O ATOM 0 H GLY A 51 -1.461 -9.193 7.621 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.546 -11.100 8.216 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.309 -11.474 9.401 1.00 71.31 H new HETATM 871 N MLY A 52 -2.637 -8.980 10.639 1.00 22.42 N HETATM 872 CA MLY A 52 -3.460 -8.393 11.707 1.00 50.33 C HETATM 873 CB MLY A 52 -2.673 -7.331 12.498 1.00 33.52 C HETATM 874 CG MLY A 52 -1.553 -7.877 13.387 1.00 64.24 C HETATM 875 CD MLY A 52 -2.077 -8.790 14.492 1.00 72.22 C HETATM 876 CE MLY A 52 -1.081 -8.912 15.637 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.377 -10.116 16.432 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.670 -9.730 17.821 1.00 11.24 C HETATM 879 CH2 MLY A 52 -0.215 -11.019 16.412 1.00 42.22 C HETATM 880 C MLY A 52 -4.724 -7.764 11.127 1.00 12.24 C HETATM 881 O MLY A 52 -5.675 -7.469 11.857 1.00 14.32 O HETATM 0 HH23 MLY A 52 0.003 -11.309 15.384 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.650 -10.509 16.836 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -0.436 -11.909 17.001 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.807 -9.218 18.246 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -2.532 -9.063 17.839 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.889 -10.622 18.408 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.841 -8.428 12.772 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -1.010 -7.044 13.835 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -0.066 -8.966 15.243 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -1.131 -8.026 16.270 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.021 -8.399 14.871 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.283 -9.778 14.081 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.241 -6.621 11.792 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.372 -6.774 13.122 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.738 -9.198 12.387 1.00 50.33 H new HETATM 0 H MLY A 52 -1.675 -8.667 10.506 1.00 22.42 H new ATOM 898 N GLN A 53 -4.710 -7.558 9.794 1.00 64.22 N ATOM 899 CA GLN A 53 -5.841 -6.975 9.030 1.00 1.55 C ATOM 900 C GLN A 53 -6.068 -5.489 9.373 1.00 54.20 C ATOM 901 O GLN A 53 -7.193 -4.979 9.288 1.00 41.22 O ATOM 902 CB GLN A 53 -7.142 -7.790 9.225 1.00 51.25 C ATOM 903 CG GLN A 53 -7.051 -9.224 8.721 1.00 51.21 C ATOM 904 CD GLN A 53 -8.409 -9.888 8.604 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.057 -9.822 7.559 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.847 -10.534 9.678 1.00 1.32 N ATOM 0 H GLN A 53 -3.908 -7.792 9.209 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.565 -7.029 7.977 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.396 -7.803 10.285 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.957 -7.284 8.708 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.561 -9.233 7.747 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.424 -9.804 9.398 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.277 -10.563 10.523 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.754 -11.001 9.658 1.00 1.32 H new ATOM 915 N GLU A 54 -4.976 -4.797 9.736 1.00 41.31 N ATOM 916 CA GLU A 54 -5.022 -3.364 10.074 1.00 72.24 C ATOM 917 C GLU A 54 -5.116 -2.513 8.804 1.00 75.25 C ATOM 918 O GLU A 54 -5.712 -1.431 8.810 1.00 34.30 O ATOM 919 CB GLU A 54 -3.776 -2.956 10.877 1.00 53.34 C ATOM 920 CG GLU A 54 -3.690 -3.574 12.270 1.00 11.31 C ATOM 921 CD GLU A 54 -4.592 -2.889 13.283 1.00 20.35 C ATOM 922 OE1 GLU A 54 -5.759 -3.312 13.421 1.00 44.02 O ATOM 923 OE2 GLU A 54 -4.129 -1.930 13.937 1.00 15.22 O ATOM 0 H GLU A 54 -4.045 -5.209 9.803 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.909 -3.191 10.684 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.887 -3.238 10.313 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.761 -1.870 10.973 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -3.957 -4.629 12.210 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -2.659 -3.525 12.619 1.00 11.31 H new ATOM 930 N VAL A 55 -4.517 -3.027 7.726 1.00 22.22 N ATOM 931 CA VAL A 55 -4.516 -2.364 6.420 1.00 23.14 C ATOM 932 C VAL A 55 -5.472 -3.087 5.455 1.00 5.11 C ATOM 933 O VAL A 55 -6.188 -4.008 5.864 1.00 74.45 O ATOM 934 CB VAL A 55 -3.075 -2.275 5.815 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.237 -1.263 6.585 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.368 -3.634 5.786 1.00 43.13 C ATOM 0 H VAL A 55 -4.018 -3.917 7.735 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.868 -1.343 6.564 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.183 -1.945 4.782 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.238 -1.213 6.152 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.707 -0.281 6.526 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.165 -1.569 7.629 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.373 -3.517 5.357 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.283 -4.022 6.801 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.945 -4.331 5.179 1.00 43.13 H new ATOM 946 N ILE A 56 -5.482 -2.666 4.183 1.00 52.14 N ATOM 947 CA ILE A 56 -6.352 -3.274 3.165 1.00 1.25 C ATOM 948 C ILE A 56 -5.750 -4.568 2.601 1.00 22.44 C ATOM 949 O ILE A 56 -4.537 -4.783 2.685 1.00 40.42 O ATOM 950 CB ILE A 56 -6.693 -2.288 2.009 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.454 -1.493 1.533 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.800 -1.344 2.469 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.627 -0.814 0.182 1.00 34.03 C ATOM 0 H ILE A 56 -4.898 -1.907 3.834 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.284 -3.522 3.674 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.035 -2.869 1.153 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.214 -0.736 2.279 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.601 -2.170 1.480 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.044 -0.650 1.664 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.686 -1.922 2.731 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.462 -0.784 3.341 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.713 -0.279 -0.076 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.835 -1.566 -0.579 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.457 -0.110 0.232 1.00 34.03 H new ATOM 965 N ARG A 57 -6.616 -5.421 2.027 1.00 73.41 N ATOM 966 CA ARG A 57 -6.204 -6.714 1.452 1.00 3.13 C ATOM 967 C ARG A 57 -5.173 -6.539 0.330 1.00 73.31 C ATOM 968 O ARG A 57 -4.184 -7.275 0.270 1.00 3.15 O ATOM 969 CB ARG A 57 -7.431 -7.470 0.930 1.00 41.00 C ATOM 970 CG ARG A 57 -7.285 -8.982 0.986 1.00 54.31 C ATOM 971 CD ARG A 57 -8.591 -9.677 0.646 1.00 33.13 C ATOM 972 NE ARG A 57 -8.529 -11.122 0.897 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.549 -11.973 0.715 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.732 -11.548 0.277 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.379 -13.263 0.975 1.00 4.55 N ATOM 0 H ARG A 57 -7.616 -5.235 1.949 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.730 -7.293 2.245 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.304 -7.176 1.513 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.621 -7.170 -0.101 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.509 -9.300 0.289 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -6.960 -9.281 1.983 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.397 -9.241 1.236 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.832 -9.502 -0.402 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.646 -11.506 1.234 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -10.875 -10.559 0.073 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.495 -12.212 0.145 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.477 -13.601 1.311 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.150 -13.917 0.839 1.00 4.55 H new ATOM 989 N GLY A 58 -5.421 -5.558 -0.550 1.00 75.12 N ATOM 990 CA GLY A 58 -4.507 -5.264 -1.655 1.00 3.21 C ATOM 991 C GLY A 58 -3.122 -4.812 -1.191 1.00 15.14 C ATOM 992 O GLY A 58 -2.157 -4.893 -1.956 1.00 21.04 O ATOM 0 H GLY A 58 -6.245 -4.958 -0.515 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.402 -6.153 -2.277 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -4.944 -4.487 -2.282 1.00 3.21 H new ATOM 996 N TRP A 59 -3.033 -4.336 0.066 1.00 34.52 N ATOM 997 CA TRP A 59 -1.760 -3.894 0.648 1.00 11.53 C ATOM 998 C TRP A 59 -0.980 -5.071 1.223 1.00 15.11 C ATOM 999 O TRP A 59 0.222 -5.181 1.000 1.00 30.32 O ATOM 1000 CB TRP A 59 -1.979 -2.846 1.749 1.00 30.13 C ATOM 1001 CG TRP A 59 -1.995 -1.410 1.266 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.266 -0.955 0.001 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.723 -0.239 2.054 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.183 0.415 -0.040 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.851 0.877 1.205 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.384 -0.025 3.396 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.655 2.181 1.652 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.190 1.270 3.837 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.327 2.357 2.968 1.00 20.34 C ATOM 0 H TRP A 59 -3.831 -4.249 0.695 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.184 -3.442 -0.159 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.924 -3.057 2.249 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.193 -2.955 2.496 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.510 -1.584 -0.842 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.343 0.994 -0.864 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.276 -0.858 4.075 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.758 3.023 0.984 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.928 1.446 4.870 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.170 3.357 3.344 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.679 -5.959 1.951 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.048 -7.138 2.571 1.00 11.50 C ATOM 1022 C GLU A 60 -0.546 -8.128 1.516 1.00 31.21 C ATOM 1023 O GLU A 60 0.504 -8.753 1.692 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.026 -7.855 3.522 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.557 -6.979 4.644 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.211 -7.781 5.752 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.566 -7.975 6.803 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.367 -8.214 5.568 1.00 23.02 O ATOM 0 H GLU A 60 -2.681 -5.883 2.125 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.194 -6.776 3.143 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.868 -8.233 2.942 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.524 -8.719 3.957 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.738 -6.392 5.060 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.280 -6.272 4.237 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.310 -8.257 0.423 1.00 13.22 N ATOM 1036 CA GLU A 61 -0.961 -9.157 -0.682 1.00 4.04 C ATOM 1037 C GLU A 61 0.006 -8.497 -1.672 1.00 23.14 C ATOM 1038 O GLU A 61 0.771 -9.190 -2.344 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.225 -9.611 -1.421 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.062 -10.620 -0.646 1.00 33.24 C ATOM 1041 CD GLU A 61 -4.302 -11.052 -1.403 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -5.370 -10.439 -1.192 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -4.206 -12.003 -2.207 1.00 21.23 O ATOM 0 H GLU A 61 -2.180 -7.744 0.281 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.461 -10.023 -0.248 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.839 -8.738 -1.642 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -1.938 -10.049 -2.377 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -2.453 -11.496 -0.423 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -3.357 -10.185 0.309 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.034 -7.155 -1.743 1.00 2.32 N ATOM 1051 CA GLY A 62 0.827 -6.408 -2.659 1.00 34.53 C ATOM 1052 C GLY A 62 2.185 -6.047 -2.072 1.00 41.44 C ATOM 1053 O GLY A 62 3.212 -6.233 -2.731 1.00 71.54 O ATOM 0 H GLY A 62 -0.652 -6.573 -1.177 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.978 -6.998 -3.563 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.316 -5.493 -2.957 1.00 34.53 H new ATOM 1057 N VAL A 63 2.190 -5.530 -0.831 1.00 13.21 N ATOM 1058 CA VAL A 63 3.432 -5.125 -0.138 1.00 21.10 C ATOM 1059 C VAL A 63 4.363 -6.328 0.115 1.00 62.21 C ATOM 1060 O VAL A 63 5.582 -6.171 0.233 1.00 10.30 O ATOM 1061 CB VAL A 63 3.104 -4.382 1.199 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.838 -5.342 2.364 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.213 -3.399 1.553 1.00 1.13 C ATOM 0 H VAL A 63 1.343 -5.381 -0.282 1.00 13.21 H new ATOM 0 HA VAL A 63 3.963 -4.435 -0.794 1.00 21.10 H new ATOM 0 HB VAL A 63 2.179 -3.830 1.032 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.616 -4.769 3.264 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.989 -5.981 2.122 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.720 -5.960 2.535 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.966 -2.892 2.486 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.153 -3.938 1.671 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.314 -2.662 0.756 1.00 1.13 H new ATOM 1073 N ALA A 64 3.756 -7.516 0.193 1.00 31.45 N ATOM 1074 CA ALA A 64 4.479 -8.773 0.420 1.00 31.03 C ATOM 1075 C ALA A 64 5.206 -9.245 -0.846 1.00 33.41 C ATOM 1076 O ALA A 64 5.978 -10.209 -0.808 1.00 20.51 O ATOM 1077 CB ALA A 64 3.506 -9.839 0.900 1.00 31.20 C ATOM 0 H ALA A 64 2.747 -7.634 0.100 1.00 31.45 H new ATOM 0 HA ALA A 64 5.236 -8.598 1.184 1.00 31.03 H new ATOM 0 HB1 ALA A 64 4.043 -10.772 1.069 1.00 31.20 H new ATOM 0 HB2 ALA A 64 3.041 -9.515 1.831 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.736 -9.995 0.145 1.00 31.20 H new ATOM 1083 N GLN A 65 4.951 -8.546 -1.959 1.00 10.14 N ATOM 1084 CA GLN A 65 5.560 -8.865 -3.253 1.00 4.44 C ATOM 1085 C GLN A 65 6.834 -8.041 -3.488 1.00 1.34 C ATOM 1086 O GLN A 65 7.573 -8.293 -4.446 1.00 54.10 O ATOM 1087 CB GLN A 65 4.553 -8.609 -4.385 1.00 23.01 C ATOM 1088 CG GLN A 65 3.192 -9.266 -4.161 1.00 41.22 C ATOM 1089 CD GLN A 65 2.246 -9.140 -5.345 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.652 -9.243 -6.505 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.969 -8.903 -5.054 1.00 4.02 N ATOM 0 H GLN A 65 4.319 -7.746 -1.986 1.00 10.14 H new ATOM 0 HA GLN A 65 5.836 -9.919 -3.245 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.413 -7.534 -4.497 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.973 -8.975 -5.322 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.341 -10.323 -3.938 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.723 -8.819 -3.284 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.674 -8.825 -4.081 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.286 -8.800 -5.804 1.00 4.02 H new ATOM 1100 N MET A 66 7.083 -7.064 -2.604 1.00 51.30 N ATOM 1101 CA MET A 66 8.259 -6.193 -2.704 1.00 45.42 C ATOM 1102 C MET A 66 9.277 -6.524 -1.611 1.00 14.24 C ATOM 1103 O MET A 66 8.919 -7.071 -0.563 1.00 42.21 O ATOM 1104 CB MET A 66 7.878 -4.701 -2.613 1.00 54.20 C ATOM 1105 CG MET A 66 6.384 -4.395 -2.519 1.00 71.10 C ATOM 1106 SD MET A 66 5.977 -2.700 -3.009 1.00 71.25 S ATOM 1107 CE MET A 66 7.072 -1.737 -1.961 1.00 23.31 C ATOM 0 H MET A 66 6.480 -6.858 -1.807 1.00 51.30 H new ATOM 0 HA MET A 66 8.704 -6.376 -3.682 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.372 -4.273 -1.741 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.279 -4.190 -3.489 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.835 -5.092 -3.152 1.00 71.10 H new ATOM 0 HG3 MET A 66 6.048 -4.562 -1.496 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.875 -0.675 -2.108 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.898 -1.997 -0.917 1.00 23.31 H new ATOM 0 HE3 MET A 66 8.108 -1.954 -2.221 1.00 23.31 H new ATOM 1117 N SER A 67 10.544 -6.176 -1.866 1.00 4.44 N ATOM 1118 CA SER A 67 11.637 -6.424 -0.922 1.00 50.24 C ATOM 1119 C SER A 67 12.156 -5.107 -0.340 1.00 5.23 C ATOM 1120 O SER A 67 11.846 -4.036 -0.863 1.00 51.25 O ATOM 1121 CB SER A 67 12.773 -7.180 -1.621 1.00 21.11 C ATOM 1122 OG SER A 67 13.143 -6.541 -2.832 1.00 40.45 O ATOM 0 H SER A 67 10.838 -5.717 -2.728 1.00 4.44 H new ATOM 0 HA SER A 67 11.257 -7.035 -0.103 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.637 -7.238 -0.959 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.460 -8.203 -1.827 1.00 21.11 H new ATOM 0 HG SER A 67 12.730 -7.008 -3.588 1.00 40.45 H new ATOM 1128 N VAL A 68 12.960 -5.195 0.739 1.00 33.02 N ATOM 1129 CA VAL A 68 13.536 -4.012 1.414 1.00 53.10 C ATOM 1130 C VAL A 68 14.329 -3.137 0.425 1.00 12.43 C ATOM 1131 O VAL A 68 15.268 -3.609 -0.222 1.00 21.20 O ATOM 1132 CB VAL A 68 14.442 -4.431 2.616 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.235 -3.252 3.181 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.606 -5.062 3.724 1.00 13.21 C ATOM 0 H VAL A 68 13.228 -6.082 1.166 1.00 33.02 H new ATOM 0 HA VAL A 68 12.705 -3.423 1.802 1.00 53.10 H new ATOM 0 HB VAL A 68 15.155 -5.162 2.234 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.850 -3.593 4.014 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.876 -2.838 2.403 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.545 -2.483 3.530 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.255 -5.347 4.552 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.865 -4.344 4.074 1.00 13.21 H new ATOM 0 HG23 VAL A 68 13.100 -5.947 3.339 1.00 13.21 H new ATOM 1144 N GLY A 69 13.924 -1.866 0.329 1.00 54.02 N ATOM 1145 CA GLY A 69 14.574 -0.920 -0.570 1.00 71.34 C ATOM 1146 C GLY A 69 13.928 -0.860 -1.949 1.00 5.22 C ATOM 1147 O GLY A 69 14.410 -0.137 -2.825 1.00 23.21 O ATOM 0 H GLY A 69 13.149 -1.474 0.864 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.550 0.073 -0.121 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.623 -1.195 -0.679 1.00 71.34 H new ATOM 1151 N GLN A 70 12.837 -1.620 -2.138 1.00 55.02 N ATOM 1152 CA GLN A 70 12.129 -1.660 -3.419 1.00 4.10 C ATOM 1153 C GLN A 70 10.969 -0.665 -3.444 1.00 65.14 C ATOM 1154 O GLN A 70 10.276 -0.472 -2.440 1.00 64.15 O ATOM 1155 CB GLN A 70 11.605 -3.075 -3.707 1.00 54.10 C ATOM 1156 CG GLN A 70 11.367 -3.353 -5.187 1.00 53.24 C ATOM 1157 CD GLN A 70 10.625 -4.650 -5.437 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.315 -4.552 -5.634 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.224 -5.725 -5.474 1.00 4.25 N flip ATOM 0 H GLN A 70 12.429 -2.214 -1.416 1.00 55.02 H new ATOM 0 HA GLN A 70 12.842 -1.379 -4.195 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.319 -3.802 -3.320 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.672 -3.224 -3.164 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.800 -2.528 -5.619 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.326 -3.385 -5.703 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.231 -5.753 -5.317 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.713 -6.587 -5.662 1.00 4.25 H new ATOM 1168 N ARG A 71 10.781 -0.045 -4.609 1.00 33.42 N ATOM 1169 CA ARG A 71 9.704 0.920 -4.824 1.00 34.40 C ATOM 1170 C ARG A 71 8.806 0.435 -5.968 1.00 60.34 C ATOM 1171 O ARG A 71 9.216 0.434 -7.134 1.00 3.51 O ATOM 1172 CB ARG A 71 10.291 2.309 -5.132 1.00 73.14 C ATOM 1173 CG ARG A 71 9.336 3.470 -4.862 1.00 14.30 C ATOM 1174 CD ARG A 71 9.090 4.285 -6.121 1.00 71.52 C ATOM 1175 NE ARG A 71 8.089 5.336 -5.908 1.00 3.22 N ATOM 1176 CZ ARG A 71 8.009 6.471 -6.619 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.868 6.729 -7.604 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.060 7.353 -6.338 1.00 42.24 N ATOM 0 H ARG A 71 11.370 -0.197 -5.428 1.00 33.42 H new ATOM 0 HA ARG A 71 9.102 1.004 -3.919 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.193 2.450 -4.536 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.593 2.339 -6.179 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.389 3.085 -4.484 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.751 4.112 -4.085 1.00 14.30 H new ATOM 0 HD2 ARG A 71 10.026 4.737 -6.449 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.757 3.624 -6.921 1.00 71.52 H new ATOM 0 HE ARG A 71 7.404 5.194 -5.166 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.603 6.058 -7.829 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.791 7.597 -8.133 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.397 7.166 -5.586 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.993 8.218 -6.874 1.00 42.24 H new ATOM 1192 N ALA A 72 7.586 0.010 -5.617 1.00 5.10 N ATOM 1193 CA ALA A 72 6.627 -0.497 -6.601 1.00 53.23 C ATOM 1194 C ALA A 72 5.244 0.134 -6.427 1.00 61.04 C ATOM 1195 O ALA A 72 4.905 0.609 -5.339 1.00 32.53 O ATOM 1196 CB ALA A 72 6.534 -2.016 -6.502 1.00 53.11 C ATOM 0 H ALA A 72 7.241 0.008 -4.657 1.00 5.10 H new ATOM 0 HA ALA A 72 6.988 -0.220 -7.592 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.819 -2.385 -7.237 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.513 -2.454 -6.696 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.204 -2.296 -5.502 1.00 53.11 H new HETATM 1202 N MLY A 73 4.453 0.130 -7.512 1.00 72.40 N HETATM 1203 CA MLY A 73 3.101 0.691 -7.498 1.00 10.44 C HETATM 1204 CB MLY A 73 2.890 1.583 -8.726 1.00 42.22 C HETATM 1205 CG MLY A 73 2.050 2.824 -8.450 1.00 32.23 C HETATM 1206 CD MLY A 73 1.850 3.658 -9.711 1.00 43.41 C HETATM 1207 CE MLY A 73 2.800 4.848 -9.755 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.639 5.571 -11.028 1.00 24.53 N HETATM 1209 CH1 MLY A 73 3.915 5.572 -11.760 1.00 62.33 C HETATM 1210 CH2 MLY A 73 2.230 6.959 -10.759 1.00 20.10 C HETATM 1211 C MLY A 73 2.061 -0.426 -7.473 1.00 30.22 C HETATM 1212 O MLY A 73 2.071 -1.311 -8.334 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.283 6.961 -10.219 1.00 20.10 H new HETATM 0 HH22 MLY A 73 2.992 7.453 -10.156 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.111 7.493 -11.702 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.679 6.064 -11.158 1.00 62.33 H new HETATM 0 HH12 MLY A 73 4.219 4.545 -11.963 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.794 6.107 -12.702 1.00 62.33 H new HETATM 0 HG3 MLY A 73 1.080 2.526 -8.052 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.536 3.430 -7.685 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.598 5.517 -8.919 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.830 4.507 -9.648 1.00 12.10 H new HETATM 0 HD3 MLY A 73 2.008 3.033 -10.590 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.820 4.013 -9.754 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.862 1.892 -9.110 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.409 0.998 -9.510 1.00 42.22 H new HETATM 0 HA MLY A 73 2.983 1.295 -6.598 1.00 10.44 H new HETATM 0 H MLY A 73 5.092 0.358 -8.273 1.00 72.40 H new ATOM 1229 N LEU A 74 1.167 -0.375 -6.481 1.00 74.52 N ATOM 1230 CA LEU A 74 0.118 -1.389 -6.329 1.00 74.33 C ATOM 1231 C LEU A 74 -1.241 -0.832 -6.746 1.00 30.42 C ATOM 1232 O LEU A 74 -1.660 0.228 -6.272 1.00 24.14 O ATOM 1233 CB LEU A 74 0.027 -1.907 -4.877 1.00 54.31 C ATOM 1234 CG LEU A 74 1.259 -1.683 -3.993 1.00 51.21 C ATOM 1235 CD1 LEU A 74 1.094 -0.402 -3.190 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.486 -2.877 -3.071 1.00 45.42 C ATOM 0 H LEU A 74 1.148 0.357 -5.771 1.00 74.52 H new ATOM 0 HA LEU A 74 0.388 -2.221 -6.979 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.828 -1.430 -4.398 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.180 -2.977 -4.909 1.00 54.31 H new ATOM 0 HG LEU A 74 2.137 -1.584 -4.632 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.973 -0.249 -2.564 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.982 0.442 -3.870 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.209 -0.480 -2.559 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.365 -2.697 -2.452 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.614 -3.014 -2.431 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.641 -3.775 -3.670 1.00 45.42 H new ATOM 1248 N THR A 75 -1.916 -1.561 -7.639 1.00 22.43 N ATOM 1249 CA THR A 75 -3.241 -1.185 -8.128 1.00 34.30 C ATOM 1250 C THR A 75 -4.311 -1.911 -7.307 1.00 11.12 C ATOM 1251 O THR A 75 -4.432 -3.139 -7.376 1.00 0.33 O ATOM 1252 CB THR A 75 -3.405 -1.526 -9.634 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.236 -1.123 -10.358 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.628 -0.838 -10.238 1.00 22.41 C ATOM 0 H THR A 75 -1.558 -2.427 -8.042 1.00 22.43 H new ATOM 0 HA THR A 75 -3.357 -0.107 -8.015 1.00 34.30 H new ATOM 0 HB THR A 75 -3.542 -2.604 -9.712 1.00 53.12 H new ATOM 0 HG1 THR A 75 -1.493 -1.724 -10.141 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.709 -1.101 -11.293 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.526 -1.164 -9.713 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.523 0.243 -10.140 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.072 -1.140 -6.531 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.122 -1.696 -5.683 1.00 1.42 C ATOM 1264 C ILE A 76 -7.495 -1.430 -6.289 1.00 60.35 C ATOM 1265 O ILE A 76 -7.750 -0.358 -6.842 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.062 -1.127 -4.225 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.597 -1.042 -3.698 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -6.945 -1.945 -3.269 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.850 -2.368 -3.559 1.00 11.52 C ATOM 0 H ILE A 76 -4.979 -0.126 -6.473 1.00 31.12 H new ATOM 0 HA ILE A 76 -5.954 -2.772 -5.627 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.457 -0.112 -4.260 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.029 -0.398 -4.369 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.612 -0.554 -2.724 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.881 -1.525 -2.265 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -7.979 -1.912 -3.611 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.601 -2.979 -3.251 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.843 -2.181 -3.185 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.382 -3.014 -2.861 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.791 -2.856 -4.532 1.00 11.52 H new ATOM 1281 N SER A 77 -8.360 -2.432 -6.173 1.00 11.11 N ATOM 1282 CA SER A 77 -9.725 -2.362 -6.686 1.00 42.11 C ATOM 1283 C SER A 77 -10.722 -2.123 -5.543 1.00 43.15 C ATOM 1284 O SER A 77 -10.379 -2.347 -4.380 1.00 74.23 O ATOM 1285 CB SER A 77 -10.079 -3.655 -7.442 1.00 53.42 C ATOM 1286 OG SER A 77 -9.323 -4.761 -6.976 1.00 32.12 O ATOM 0 H SER A 77 -8.135 -3.318 -5.720 1.00 11.11 H new ATOM 0 HA SER A 77 -9.789 -1.523 -7.379 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.142 -3.866 -7.324 1.00 53.42 H new ATOM 0 HB3 SER A 77 -9.898 -3.514 -8.508 1.00 53.42 H new ATOM 0 HG SER A 77 -8.453 -4.776 -7.428 1.00 32.12 H new ATOM 1292 N PRO A 78 -11.980 -1.663 -5.846 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.007 -1.409 -4.810 1.00 50.11 C ATOM 1294 C PRO A 78 -13.417 -2.674 -4.040 1.00 62.43 C ATOM 1295 O PRO A 78 -14.047 -2.584 -2.989 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.199 -0.846 -5.601 1.00 32.31 C ATOM 1297 CG PRO A 78 -13.979 -1.278 -7.010 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.495 -1.351 -7.200 1.00 55.53 C ATOM 0 HA PRO A 78 -12.632 -0.732 -4.042 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.143 -1.230 -5.215 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.243 0.241 -5.526 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.443 -2.246 -7.197 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.426 -0.570 -7.708 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.221 -2.123 -7.920 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.093 -0.409 -7.574 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.046 -3.845 -4.579 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.347 -5.137 -3.952 1.00 63.51 C ATOM 1308 C ASP A 79 -12.261 -5.516 -2.937 1.00 41.14 C ATOM 1309 O ASP A 79 -12.533 -6.219 -1.959 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.459 -6.224 -5.022 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.462 -7.303 -4.657 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.650 -7.154 -5.014 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -14.059 -8.296 -4.016 1.00 45.33 O ATOM 0 H ASP A 79 -12.532 -3.921 -5.457 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.297 -5.050 -3.425 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.750 -5.768 -5.968 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -12.481 -6.680 -5.175 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.037 -5.039 -3.190 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.889 -5.304 -2.312 1.00 53.15 C ATOM 1320 C TYR A 80 -9.617 -4.130 -1.372 1.00 65.53 C ATOM 1321 O TYR A 80 -8.950 -4.294 -0.346 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.628 -5.592 -3.141 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.410 -7.060 -3.457 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -9.311 -7.772 -4.245 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -7.298 -7.734 -2.964 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -9.110 -9.108 -4.527 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -7.092 -9.071 -3.245 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.001 -9.753 -4.025 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.798 -11.085 -4.305 1.00 73.03 O ATOM 0 H TYR A 80 -10.814 -4.463 -4.002 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.139 -6.179 -1.712 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.688 -5.036 -4.077 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.759 -5.216 -2.601 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -10.181 -7.270 -4.642 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -6.584 -7.204 -2.352 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -9.819 -9.646 -5.139 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -6.223 -9.579 -2.855 1.00 30.14 H new ATOM 0 HH TYR A 80 -6.970 -11.387 -3.877 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.140 -2.947 -1.730 1.00 54.11 N ATOM 1340 CA ALA A 81 -9.945 -1.731 -0.938 1.00 1.04 C ATOM 1341 C ALA A 81 -10.946 -1.607 0.221 1.00 31.52 C ATOM 1342 O ALA A 81 -10.542 -1.615 1.385 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.010 -0.510 -1.847 1.00 23.45 C ATOM 0 H ALA A 81 -10.704 -2.811 -2.569 1.00 54.11 H new ATOM 0 HA ALA A 81 -8.958 -1.793 -0.481 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.865 0.393 -1.254 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.228 -0.577 -2.603 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -10.984 -0.471 -2.335 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.245 -1.501 -0.093 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.277 -1.353 0.942 1.00 21.22 C ATOM 1351 C TYR A 82 -14.471 -2.275 0.686 1.00 64.31 C ATOM 1352 O TYR A 82 -14.894 -3.011 1.583 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.744 0.112 1.023 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.641 1.094 1.376 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.815 1.629 0.390 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.427 1.486 2.691 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.809 2.523 0.708 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.423 2.380 3.016 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.619 2.895 2.022 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.620 3.786 2.343 1.00 54.35 O ATOM 0 H TYR A 82 -12.604 -1.515 -1.048 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.834 -1.642 1.895 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.178 0.398 0.065 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.537 0.189 1.767 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -11.963 1.341 -0.640 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.055 1.086 3.473 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.176 2.927 -0.068 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.270 2.673 4.044 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.620 3.943 3.310 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.002 -2.226 -0.540 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.143 -3.049 -0.912 1.00 10.01 C ATOM 1372 C GLY A 83 -17.017 -2.371 -1.947 1.00 71.34 C ATOM 1373 O GLY A 83 -16.510 -1.675 -2.832 1.00 23.23 O ATOM 0 H GLY A 83 -14.656 -1.624 -1.287 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.790 -4.003 -1.304 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.736 -3.269 -0.024 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.332 -2.573 -1.831 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.297 -1.973 -2.755 1.00 33.53 C ATOM 1379 C ALA A 84 -19.852 -0.651 -2.212 1.00 20.43 C ATOM 1380 O ALA A 84 -20.529 0.088 -2.934 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.428 -2.950 -3.040 1.00 43.40 C ATOM 0 H ALA A 84 -18.754 -3.150 -1.103 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.776 -1.752 -3.686 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.139 -2.493 -3.728 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.021 -3.857 -3.488 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -20.935 -3.201 -2.108 1.00 43.40 H new ATOM 1387 N THR A 85 -19.552 -0.362 -0.938 1.00 42.23 N ATOM 1388 CA THR A 85 -20.007 0.864 -0.285 1.00 52.23 C ATOM 1389 C THR A 85 -18.881 1.908 -0.263 1.00 53.03 C ATOM 1390 O THR A 85 -19.032 2.998 -0.822 1.00 62.14 O ATOM 1391 CB THR A 85 -20.503 0.580 1.161 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.243 -0.647 1.195 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.387 1.709 1.685 1.00 23.54 C ATOM 0 H THR A 85 -18.992 -0.969 -0.339 1.00 42.23 H new ATOM 0 HA THR A 85 -20.845 1.259 -0.860 1.00 52.23 H new ATOM 0 HB THR A 85 -19.623 0.505 1.799 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.550 -0.819 2.110 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.714 1.475 2.698 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.821 2.641 1.693 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.258 1.819 1.039 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.756 1.561 0.389 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.609 2.464 0.483 1.00 62.01 C ATOM 1403 C GLY A 86 -16.846 3.638 1.422 1.00 41.14 C ATOM 1404 O GLY A 86 -17.813 3.639 2.190 1.00 62.55 O ATOM 0 H GLY A 86 -17.623 0.663 0.855 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.740 1.903 0.826 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.371 2.844 -0.511 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.956 4.634 1.355 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.062 5.833 2.185 1.00 52.22 C ATOM 1410 C HIS A 87 -16.728 6.967 1.384 1.00 53.50 C ATOM 1411 O HIS A 87 -16.240 7.319 0.307 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.675 6.267 2.680 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.703 7.091 3.935 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.283 6.632 5.164 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.108 8.373 4.134 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.442 7.624 6.051 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.940 8.703 5.476 1.00 2.31 N ATOM 0 H HIS A 87 -15.150 4.630 0.730 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.679 5.607 3.054 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.069 5.378 2.855 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.183 6.839 1.893 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.498 9.031 3.372 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.195 7.550 7.100 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.157 9.594 5.923 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.848 7.568 1.894 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.558 8.647 1.177 1.00 44.10 C ATOM 1427 C PRO A 88 -17.775 9.966 1.119 1.00 24.12 C ATOM 1428 O PRO A 88 -17.380 10.514 2.155 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.859 8.818 1.976 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.553 8.317 3.347 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.508 7.246 3.188 1.00 31.53 C ATOM 0 HA PRO A 88 -18.714 8.387 0.130 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.170 9.862 2.000 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.674 8.253 1.524 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.188 9.124 3.982 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.449 7.917 3.823 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.795 7.260 4.013 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.956 6.252 3.170 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.553 10.453 -0.107 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.834 11.701 -0.309 1.00 34.40 C ATOM 1441 C GLY A 89 -15.438 11.509 -0.876 1.00 12.22 C ATOM 1442 O GLY A 89 -15.054 12.202 -1.823 1.00 23.13 O ATOM 0 H GLY A 89 -17.862 9.999 -0.966 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.408 12.337 -0.983 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.762 12.228 0.642 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.681 10.569 -0.298 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.306 10.300 -0.736 1.00 12.54 C ATOM 1448 C ILE A 90 -13.234 9.062 -1.644 1.00 61.23 C ATOM 1449 O ILE A 90 -12.670 9.130 -2.740 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.333 10.120 0.469 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.611 11.170 1.559 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.875 10.225 0.005 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.324 10.684 2.964 1.00 60.20 C ATOM 0 H ILE A 90 -14.997 9.982 0.474 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.991 11.174 -1.305 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.500 9.128 0.889 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -12.007 12.055 1.360 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.655 11.477 1.497 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.211 10.097 0.860 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.671 9.449 -0.732 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.705 11.204 -0.443 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.544 11.479 3.676 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.948 9.817 3.184 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.273 10.405 3.045 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.805 7.943 -1.181 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.778 6.688 -1.937 1.00 30.21 C ATOM 1467 C ILE A 91 -15.182 6.333 -2.474 1.00 51.24 C ATOM 1468 O ILE A 91 -16.007 5.784 -1.735 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.216 5.504 -1.074 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.934 5.903 -0.285 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.955 4.257 -1.932 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.765 6.431 -1.118 1.00 2.32 C ATOM 0 H ILE A 91 -14.291 7.883 -0.286 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.107 6.839 -2.783 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.987 5.262 -0.343 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.205 6.665 0.446 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.591 5.032 0.274 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.566 3.457 -1.302 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.887 3.933 -2.396 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.227 4.495 -2.707 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.931 6.675 -0.460 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.453 5.668 -1.832 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.077 7.326 -1.656 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.482 6.644 -3.773 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.789 6.326 -4.382 1.00 52.13 C ATOM 1486 C PRO A 92 -16.980 4.812 -4.632 1.00 22.44 C ATOM 1487 O PRO A 92 -16.004 4.058 -4.578 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.764 7.102 -5.707 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.324 7.252 -6.044 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.593 7.351 -4.733 1.00 13.45 C ATOM 0 HA PRO A 92 -17.618 6.601 -3.730 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.297 6.562 -6.490 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.247 8.073 -5.604 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -14.969 6.400 -6.624 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.157 8.142 -6.651 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.610 6.882 -4.787 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.435 8.389 -4.441 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.237 4.343 -4.909 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.515 2.913 -5.154 1.00 52.41 C ATOM 1500 C PRO A 93 -18.049 2.436 -6.535 1.00 70.11 C ATOM 1501 O PRO A 93 -18.143 3.176 -7.519 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.042 2.829 -5.043 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.538 4.183 -5.427 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.475 5.161 -4.995 1.00 73.21 C ATOM 0 HA PRO A 93 -17.980 2.274 -4.451 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.443 2.061 -5.704 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.349 2.570 -4.030 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.709 4.244 -6.502 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.488 4.401 -4.940 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.366 5.973 -5.714 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.719 5.615 -4.035 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.544 1.184 -6.592 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.049 0.553 -7.841 1.00 45.34 C ATOM 1514 C HIS A 94 -15.942 1.398 -8.509 1.00 60.20 C ATOM 1515 O HIS A 94 -15.926 1.582 -9.733 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.210 0.289 -8.828 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.287 -0.599 -8.277 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.219 -1.974 -8.267 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.474 -0.278 -7.702 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.341 -2.437 -7.700 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.136 -1.447 -7.339 1.00 70.34 N ATOM 0 H HIS A 94 -17.467 0.580 -5.774 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.609 -0.406 -7.567 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.652 1.243 -9.117 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -17.808 -0.164 -9.734 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -20.845 0.725 -7.550 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.566 -3.484 -7.557 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.047 -1.523 -6.887 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.010 1.890 -7.683 1.00 4.51 N ATOM 1530 CA ALA A 95 -13.908 2.724 -8.160 1.00 71.05 C ATOM 1531 C ALA A 95 -12.553 2.148 -7.770 1.00 4.34 C ATOM 1532 O ALA A 95 -12.331 1.761 -6.619 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.057 4.141 -7.626 1.00 13.05 C ATOM 0 H ALA A 95 -15.001 1.722 -6.677 1.00 4.51 H new ATOM 0 HA ALA A 95 -13.952 2.744 -9.249 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.231 4.754 -7.987 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.001 4.563 -7.972 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.046 4.122 -6.536 1.00 13.05 H new ATOM 1539 N THR A 96 -11.659 2.102 -8.760 1.00 34.22 N ATOM 1540 CA THR A 96 -10.293 1.593 -8.594 1.00 13.14 C ATOM 1541 C THR A 96 -9.369 2.682 -8.028 1.00 22.22 C ATOM 1542 O THR A 96 -9.466 3.852 -8.410 1.00 73.11 O ATOM 1543 CB THR A 96 -9.741 1.081 -9.950 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.729 0.273 -10.602 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.464 0.259 -9.779 1.00 64.35 C ATOM 0 H THR A 96 -11.863 2.419 -9.708 1.00 34.22 H new ATOM 0 HA THR A 96 -10.323 0.764 -7.887 1.00 13.14 H new ATOM 0 HB THR A 96 -9.503 1.957 -10.553 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.175 0.799 -11.298 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.115 -0.078 -10.755 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.695 0.874 -9.311 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.670 -0.606 -9.149 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.481 2.271 -7.117 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.535 3.181 -6.471 1.00 52.44 C ATOM 1555 C LEU A 97 -6.091 2.791 -6.793 1.00 25.12 C ATOM 1556 O LEU A 97 -5.804 1.626 -7.085 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.754 3.165 -4.950 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.189 3.449 -4.482 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.503 2.656 -3.226 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.398 4.935 -4.240 1.00 45.25 C ATOM 0 H LEU A 97 -8.399 1.302 -6.809 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.710 4.186 -6.854 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.453 2.189 -4.568 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.091 3.903 -4.498 1.00 65.44 H new ATOM 0 HG LEU A 97 -9.872 3.136 -5.271 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.523 2.868 -2.907 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.402 1.591 -3.434 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.809 2.939 -2.434 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.422 5.109 -3.909 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.705 5.280 -3.472 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.217 5.483 -5.165 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.194 3.780 -6.735 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.767 3.573 -7.013 1.00 60.04 C ATOM 1574 C VAL A 98 -2.938 3.988 -5.793 1.00 55.00 C ATOM 1575 O VAL A 98 -3.093 5.097 -5.279 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.307 4.379 -8.273 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.821 4.174 -8.578 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.140 4.006 -9.495 1.00 72.32 C ATOM 0 H VAL A 98 -5.433 4.742 -6.495 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.611 2.514 -7.219 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.461 5.433 -8.043 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.547 4.753 -9.460 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.226 4.506 -7.727 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.630 3.117 -8.764 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.800 4.580 -10.357 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.027 2.942 -9.701 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.189 4.229 -9.302 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.065 3.084 -5.342 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.201 3.342 -4.189 1.00 43.43 C ATOM 1590 C PHE A 99 0.250 3.011 -4.518 1.00 54.24 C ATOM 1591 O PHE A 99 0.537 1.950 -5.079 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.646 2.514 -2.980 1.00 34.44 C ATOM 1593 CG PHE A 99 -2.962 2.930 -2.389 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -3.022 3.886 -1.389 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -4.139 2.348 -2.826 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -4.235 4.254 -0.836 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -5.354 2.712 -2.280 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.402 3.665 -1.284 1.00 42.42 C ATOM 0 H PHE A 99 -1.938 2.163 -5.761 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.282 4.402 -3.946 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.710 1.467 -3.277 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.879 2.580 -2.209 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -2.112 4.349 -1.037 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -4.107 1.600 -3.604 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -4.270 5.000 -0.056 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -6.265 2.251 -2.632 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.351 3.951 -0.855 1.00 42.42 H new ATOM 1608 N ASP A 100 1.155 3.929 -4.169 1.00 61.54 N ATOM 1609 CA ASP A 100 2.583 3.740 -4.410 1.00 40.34 C ATOM 1610 C ASP A 100 3.339 3.649 -3.079 1.00 51.50 C ATOM 1611 O ASP A 100 3.552 4.663 -2.402 1.00 33.42 O ATOM 1612 CB ASP A 100 3.131 4.887 -5.278 1.00 33.13 C ATOM 1613 CG ASP A 100 4.448 4.544 -5.956 1.00 31.24 C ATOM 1614 OD1 ASP A 100 5.491 4.568 -5.270 1.00 54.54 O ATOM 1615 OD2 ASP A 100 4.434 4.255 -7.170 1.00 62.02 O ATOM 0 H ASP A 100 0.920 4.813 -3.717 1.00 61.54 H new ATOM 0 HA ASP A 100 2.731 2.804 -4.949 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.394 5.144 -6.039 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.269 5.772 -4.656 1.00 33.13 H new ATOM 1620 N VAL A 101 3.722 2.422 -2.703 1.00 2.04 N ATOM 1621 CA VAL A 101 4.457 2.192 -1.456 1.00 60.42 C ATOM 1622 C VAL A 101 5.934 1.919 -1.733 1.00 12.12 C ATOM 1623 O VAL A 101 6.293 1.424 -2.805 1.00 50.32 O ATOM 1624 CB VAL A 101 3.856 1.038 -0.587 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.398 1.315 -0.233 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.981 -0.331 -1.259 1.00 41.23 C ATOM 0 H VAL A 101 3.535 1.577 -3.243 1.00 2.04 H new ATOM 0 HA VAL A 101 4.358 3.111 -0.879 1.00 60.42 H new ATOM 0 HB VAL A 101 4.445 1.009 0.330 1.00 11.15 H new ATOM 0 HG11 VAL A 101 2.008 0.496 0.371 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.331 2.245 0.331 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.812 1.402 -1.148 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.548 -1.095 -0.613 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.451 -0.319 -2.211 1.00 41.23 H new ATOM 0 HG23 VAL A 101 5.033 -0.556 -1.433 1.00 41.23 H new ATOM 1636 N GLU A 102 6.771 2.248 -0.753 1.00 33.11 N ATOM 1637 CA GLU A 102 8.215 2.038 -0.860 1.00 1.22 C ATOM 1638 C GLU A 102 8.743 1.331 0.385 1.00 51.22 C ATOM 1639 O GLU A 102 8.537 1.801 1.507 1.00 12.21 O ATOM 1640 CB GLU A 102 8.965 3.368 -1.102 1.00 41.11 C ATOM 1641 CG GLU A 102 8.644 4.491 -0.116 1.00 34.12 C ATOM 1642 CD GLU A 102 9.427 5.758 -0.400 1.00 72.23 C ATOM 1643 OE1 GLU A 102 8.926 6.607 -1.167 1.00 62.13 O ATOM 1644 OE2 GLU A 102 10.542 5.901 0.144 1.00 41.33 O ATOM 0 H GLU A 102 6.473 2.664 0.130 1.00 33.11 H new ATOM 0 HA GLU A 102 8.399 1.400 -1.724 1.00 1.22 H new ATOM 0 HB2 GLU A 102 10.037 3.173 -1.067 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.737 3.716 -2.109 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.577 4.711 -0.156 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.862 4.153 0.897 1.00 34.12 H new ATOM 1651 N LEU A 103 9.442 0.211 0.167 1.00 24.24 N ATOM 1652 CA LEU A 103 10.011 -0.596 1.253 1.00 4.34 C ATOM 1653 C LEU A 103 11.226 0.116 1.872 1.00 3.51 C ATOM 1654 O LEU A 103 12.318 0.125 1.292 1.00 64.00 O ATOM 1655 CB LEU A 103 10.424 -1.978 0.693 1.00 3.14 C ATOM 1656 CG LEU A 103 9.973 -3.255 1.453 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.419 -3.261 2.912 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.466 -3.461 1.355 1.00 21.32 C ATOM 0 H LEU A 103 9.629 -0.161 -0.764 1.00 24.24 H new ATOM 0 HA LEU A 103 9.263 -0.730 2.035 1.00 4.34 H new ATOM 0 HB2 LEU A 103 10.044 -2.049 -0.326 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.512 -1.998 0.630 1.00 3.14 H new ATOM 0 HG LEU A 103 10.470 -4.091 0.960 1.00 43.24 H new ATOM 0 HD11 LEU A 103 10.076 -4.177 3.394 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.507 -3.211 2.960 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.993 -2.399 3.426 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.186 -4.364 1.898 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.953 -2.603 1.788 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.180 -3.564 0.308 1.00 21.32 H new ATOM 1670 N LEU A 104 11.012 0.737 3.040 1.00 4.14 N ATOM 1671 CA LEU A 104 12.069 1.471 3.738 1.00 44.13 C ATOM 1672 C LEU A 104 12.832 0.566 4.710 1.00 0.54 C ATOM 1673 O LEU A 104 14.052 0.419 4.596 1.00 14.41 O ATOM 1674 CB LEU A 104 11.469 2.684 4.479 1.00 71.51 C ATOM 1675 CG LEU A 104 10.564 3.599 3.635 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.610 4.380 4.523 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.393 4.553 2.784 1.00 62.23 C ATOM 0 H LEU A 104 10.112 0.744 3.520 1.00 4.14 H new ATOM 0 HA LEU A 104 12.782 1.827 2.995 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.894 2.319 5.330 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.287 3.282 4.881 1.00 71.51 H new ATOM 0 HG LEU A 104 9.979 2.966 2.968 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.980 5.020 3.906 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.984 3.686 5.083 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.181 4.995 5.218 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.729 5.188 2.198 1.00 62.23 H new ATOM 0 HD22 LEU A 104 12.011 5.175 3.432 1.00 62.23 H new ATOM 0 HD23 LEU A 104 12.033 3.980 2.113 1.00 62.23 H new HETATM 1689 N MLY A 105 12.102 -0.037 5.667 1.00 1.45 N HETATM 1690 CA MLY A 105 12.692 -0.932 6.675 1.00 43.20 C HETATM 1691 CB MLY A 105 13.548 -0.138 7.697 1.00 74.32 C HETATM 1692 CG MLY A 105 12.789 0.919 8.505 1.00 22.12 C HETATM 1693 CD MLY A 105 13.722 1.958 9.118 1.00 71.52 C HETATM 1694 CE MLY A 105 13.925 1.717 10.608 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.833 2.736 11.161 1.00 24.33 N HETATM 1696 CH1 MLY A 105 16.022 2.081 11.730 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.142 3.493 12.217 1.00 22.51 C HETATM 1698 C MLY A 105 11.599 -1.750 7.383 1.00 74.02 C HETATM 1699 O MLY A 105 10.404 -1.490 7.204 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.262 3.982 11.798 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.835 2.812 13.011 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.816 4.246 12.625 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.717 1.399 12.524 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.538 1.522 10.949 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.693 2.836 12.139 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.067 1.418 7.859 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.222 0.430 9.297 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.966 1.753 11.125 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.338 0.722 10.771 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.685 1.928 8.609 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.310 2.955 8.963 1.00 71.52 H new HETATM 0 HB3 MLY A 105 14.003 -0.844 8.391 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.361 0.352 7.162 1.00 74.32 H new HETATM 0 HA MLY A 105 13.355 -1.628 6.161 1.00 43.20 H new ATOM 1716 N LEU A 106 12.025 -2.732 8.183 1.00 51.44 N ATOM 1717 CA LEU A 106 11.100 -3.595 8.923 1.00 50.34 C ATOM 1718 C LEU A 106 11.374 -3.523 10.422 1.00 15.14 C ATOM 1719 O LEU A 106 12.527 -3.376 10.839 1.00 24.35 O ATOM 1720 CB LEU A 106 11.213 -5.054 8.446 1.00 64.41 C ATOM 1721 CG LEU A 106 11.131 -5.281 6.925 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.731 -6.629 6.560 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.691 -5.197 6.433 1.00 3.23 C ATOM 0 H LEU A 106 13.010 -2.950 8.335 1.00 51.44 H new ATOM 0 HA LEU A 106 10.088 -3.238 8.731 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.161 -5.458 8.802 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.421 -5.632 8.922 1.00 64.41 H new ATOM 0 HG LEU A 106 11.703 -4.493 6.436 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.666 -6.776 5.482 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.776 -6.657 6.868 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.181 -7.421 7.068 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.664 -5.361 5.356 1.00 3.23 H new ATOM 0 HD22 LEU A 106 9.091 -5.959 6.931 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.286 -4.211 6.660 1.00 3.23 H new ATOM 1735 N GLU A 107 10.307 -3.626 11.222 1.00 12.24 N ATOM 1736 CA GLU A 107 10.424 -3.576 12.682 1.00 25.05 C ATOM 1737 C GLU A 107 9.756 -4.788 13.321 1.00 14.04 C ATOM 1738 O GLU A 107 10.430 -5.690 13.821 1.00 15.01 O ATOM 1739 CB GLU A 107 9.803 -2.288 13.238 1.00 65.53 C ATOM 1740 CG GLU A 107 10.543 -1.018 12.845 1.00 41.44 C ATOM 1741 CD GLU A 107 10.036 0.205 13.586 1.00 62.30 C ATOM 1742 OE1 GLU A 107 8.982 0.747 13.189 1.00 0.45 O ATOM 1743 OE2 GLU A 107 10.692 0.620 14.564 1.00 25.40 O ATOM 0 H GLU A 107 9.353 -3.745 10.882 1.00 12.24 H new ATOM 0 HA GLU A 107 11.486 -3.588 12.929 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.772 -2.216 12.892 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.770 -2.354 14.325 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.607 -1.145 13.046 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.438 -0.858 11.772 1.00 41.44 H new TER 1750 GLU A 107