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 27 THR OG1 : rot 180:sc= -0.0275 USER MOD Set 1.2: A 38 SER OG : rot 5:sc= -0.17 USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.986 X(o=0.089,f=0.41) USER MOD Set 2.2: A 39 SER OG : rot 85:sc= 1.07 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) 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+ -151:sc= -0.0524 (180deg=-0.466) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0352 F(o=-1.7!,f=-0.035) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00967 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.182 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -164:sc=-0.00784 (180deg=-0.351) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -124:sc=-0.00236 (180deg=-2.23!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.427 K(o=0.43,f=-1.2) USER MOD Single : A 66 MET CE :methyl 178:sc= -2.99! (180deg=-3.04!) USER MOD Single : A 67 SER OG : rot -110:sc= 0.488 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.67 F(o=-1.6,f=-0.67) USER MOD Single : A 75 THR OG1 : rot 72:sc= 0.853 USER MOD Single : A 77 SER OG : rot -76:sc= 1.26 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0324 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,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 107:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -11.187 -5.753 -16.904 1.00 23.20 N ATOM 2 CA GLY A -3 -9.776 -5.417 -16.842 1.00 43.12 C ATOM 3 C GLY A -3 -9.009 -6.278 -15.841 1.00 10.33 C ATOM 4 O GLY A -3 -8.128 -7.037 -16.256 1.00 34.23 O ATOM 0 H1 GLY A -3 -11.552 -5.544 -17.855 1.00 23.20 H new ATOM 0 H2 GLY A -3 -11.312 -6.765 -16.700 1.00 23.20 H new ATOM 0 H3 GLY A -3 -11.709 -5.191 -16.201 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -9.334 -5.537 -17.831 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -9.668 -4.367 -16.570 1.00 43.12 H new ATOM 8 N PRO A -2 -9.311 -6.193 -14.505 1.00 43.42 N ATOM 9 CA PRO A -2 -8.617 -6.992 -13.475 1.00 72.12 C ATOM 10 C PRO A -2 -9.063 -8.456 -13.460 1.00 24.33 C ATOM 11 O PRO A -2 -10.157 -8.783 -13.927 1.00 1.42 O ATOM 12 CB PRO A -2 -9.007 -6.310 -12.148 1.00 65.32 C ATOM 13 CG PRO A -2 -9.735 -5.061 -12.526 1.00 23.11 C ATOM 14 CD PRO A -2 -10.323 -5.316 -13.881 1.00 3.14 C ATOM 0 HA PRO A -2 -7.543 -7.020 -13.658 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -9.638 -6.962 -11.545 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -8.123 -6.082 -11.552 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -10.515 -4.830 -11.800 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -9.058 -4.207 -12.549 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -11.297 -5.801 -13.817 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -10.463 -4.393 -14.443 1.00 3.14 H new ATOM 22 N SER A -1 -8.201 -9.322 -12.919 1.00 54.30 N ATOM 23 CA SER A -1 -8.484 -10.756 -12.833 1.00 74.21 C ATOM 24 C SER A -1 -8.306 -11.272 -11.403 1.00 44.31 C ATOM 25 O SER A -1 -9.108 -12.082 -10.928 1.00 24.24 O ATOM 26 CB SER A -1 -7.575 -11.535 -13.788 1.00 35.31 C ATOM 27 OG SER A -1 -7.772 -11.123 -15.129 1.00 34.24 O ATOM 0 H SER A -1 -7.297 -9.052 -12.532 1.00 54.30 H new ATOM 0 HA SER A -1 -9.523 -10.910 -13.123 1.00 74.21 H new ATOM 0 HB2 SER A -1 -6.533 -11.384 -13.507 1.00 35.31 H new ATOM 0 HB3 SER A -1 -7.778 -12.602 -13.699 1.00 35.31 H new ATOM 0 HG SER A -1 -7.179 -11.634 -15.719 1.00 34.24 H new ATOM 33 N MET A 0 -7.252 -10.795 -10.727 1.00 71.24 N ATOM 34 CA MET A 0 -6.956 -11.198 -9.348 1.00 20.33 C ATOM 35 C MET A 0 -7.489 -10.175 -8.344 1.00 73.21 C ATOM 36 O MET A 0 -8.028 -10.550 -7.298 1.00 22.03 O ATOM 37 CB MET A 0 -5.445 -11.377 -9.151 1.00 31.50 C ATOM 38 CG MET A 0 -4.875 -12.614 -9.832 1.00 40.30 C ATOM 39 SD MET A 0 -3.097 -12.804 -9.578 1.00 23.03 S ATOM 40 CE MET A 0 -2.441 -11.653 -10.786 1.00 60.20 C ATOM 0 H MET A 0 -6.588 -10.126 -11.117 1.00 71.24 H new ATOM 0 HA MET A 0 -7.456 -12.150 -9.169 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.932 -10.495 -9.534 1.00 31.50 H new ATOM 0 HB3 MET A 0 -5.232 -11.432 -8.083 1.00 31.50 H new ATOM 0 HG2 MET A 0 -5.387 -13.499 -9.453 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.080 -12.560 -10.901 1.00 40.30 H new ATOM 0 HE1 MET A 0 -1.352 -11.663 -10.744 1.00 60.20 H new ATOM 0 HE2 MET A 0 -2.768 -11.946 -11.783 1.00 60.20 H new ATOM 0 HE3 MET A 0 -2.803 -10.649 -10.566 1.00 60.20 H new ATOM 50 N GLY A 1 -7.332 -8.887 -8.674 1.00 60.01 N ATOM 51 CA GLY A 1 -7.789 -7.817 -7.801 1.00 13.55 C ATOM 52 C GLY A 1 -6.678 -6.850 -7.438 1.00 3.14 C ATOM 53 O GLY A 1 -6.889 -5.633 -7.431 1.00 44.31 O ATOM 0 H GLY A 1 -6.893 -8.569 -9.538 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -8.595 -7.272 -8.291 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.204 -8.248 -6.890 1.00 13.55 H new ATOM 57 N VAL A 2 -5.492 -7.395 -7.144 1.00 52.34 N ATOM 58 CA VAL A 2 -4.332 -6.582 -6.775 1.00 33.20 C ATOM 59 C VAL A 2 -3.158 -6.836 -7.741 1.00 63.10 C ATOM 60 O VAL A 2 -2.665 -7.963 -7.853 1.00 55.34 O ATOM 61 CB VAL A 2 -3.929 -6.812 -5.272 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.511 -8.255 -4.977 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.841 -5.836 -4.824 1.00 64.22 C ATOM 0 H VAL A 2 -5.312 -8.399 -7.155 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.605 -5.531 -6.868 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.830 -6.617 -4.691 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.245 -8.349 -3.924 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.339 -8.927 -5.203 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.651 -8.518 -5.593 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.589 -6.026 -3.781 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -1.953 -5.972 -5.442 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.204 -4.813 -4.930 1.00 64.22 H new ATOM 73 N GLN A 3 -2.737 -5.772 -8.436 1.00 54.51 N ATOM 74 CA GLN A 3 -1.631 -5.852 -9.395 1.00 12.04 C ATOM 75 C GLN A 3 -0.498 -4.910 -8.994 1.00 65.23 C ATOM 76 O GLN A 3 -0.683 -3.691 -8.936 1.00 65.11 O ATOM 77 CB GLN A 3 -2.108 -5.516 -10.816 1.00 73.14 C ATOM 78 CG GLN A 3 -3.087 -6.527 -11.401 1.00 31.23 C ATOM 79 CD GLN A 3 -4.530 -6.081 -11.268 1.00 1.13 C ATOM 80 OE1 GLN A 3 -5.145 -6.392 -10.134 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -5.083 -5.453 -12.171 1.00 15.44 N flip ATOM 0 H GLN A 3 -3.148 -4.843 -8.351 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.259 -6.877 -9.385 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.580 -4.534 -10.806 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -1.240 -5.446 -11.472 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.855 -6.686 -12.454 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.958 -7.486 -10.898 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.573 -5.235 -13.027 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -6.051 -5.151 -12.063 1.00 15.44 H new ATOM 90 N VAL A 4 0.673 -5.489 -8.725 1.00 15.11 N ATOM 91 CA VAL A 4 1.846 -4.717 -8.321 1.00 21.25 C ATOM 92 C VAL A 4 2.899 -4.685 -9.442 1.00 0.04 C ATOM 93 O VAL A 4 3.157 -5.701 -10.095 1.00 62.43 O ATOM 94 CB VAL A 4 2.435 -5.262 -6.977 1.00 41.33 C ATOM 95 CG1 VAL A 4 2.995 -6.675 -7.117 1.00 50.31 C ATOM 96 CG2 VAL A 4 3.487 -4.321 -6.401 1.00 13.43 C ATOM 0 H VAL A 4 0.833 -6.495 -8.780 1.00 15.11 H new ATOM 0 HA VAL A 4 1.535 -3.687 -8.145 1.00 21.25 H new ATOM 0 HB VAL A 4 1.602 -5.311 -6.276 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.391 -7.006 -6.157 1.00 50.31 H new ATOM 0 HG12 VAL A 4 2.201 -7.351 -7.435 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.793 -6.678 -7.859 1.00 50.31 H new ATOM 0 HG21 VAL A 4 3.872 -4.733 -5.468 1.00 13.43 H new ATOM 0 HG22 VAL A 4 4.304 -4.209 -7.113 1.00 13.43 H new ATOM 0 HG23 VAL A 4 3.038 -3.347 -6.209 1.00 13.43 H new ATOM 106 N GLU A 5 3.491 -3.504 -9.640 1.00 43.11 N ATOM 107 CA GLU A 5 4.515 -3.299 -10.673 1.00 1.02 C ATOM 108 C GLU A 5 5.788 -2.742 -10.048 1.00 74.44 C ATOM 109 O GLU A 5 5.756 -1.696 -9.395 1.00 42.12 O ATOM 110 CB GLU A 5 4.028 -2.335 -11.776 1.00 22.54 C ATOM 111 CG GLU A 5 2.515 -2.243 -11.929 1.00 62.44 C ATOM 112 CD GLU A 5 2.097 -1.360 -13.088 1.00 45.30 C ATOM 113 OE1 GLU A 5 1.914 -0.143 -12.871 1.00 72.23 O ATOM 114 OE2 GLU A 5 1.953 -1.884 -14.213 1.00 20.43 O ATOM 0 H GLU A 5 3.278 -2.669 -9.095 1.00 43.11 H new ATOM 0 HA GLU A 5 4.717 -4.269 -11.128 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.418 -1.339 -11.565 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.456 -2.650 -12.728 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.107 -3.243 -12.074 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.084 -1.854 -11.007 1.00 62.44 H new ATOM 121 N THR A 6 6.909 -3.440 -10.269 1.00 42.11 N ATOM 122 CA THR A 6 8.210 -3.027 -9.729 1.00 74.15 C ATOM 123 C THR A 6 8.808 -1.886 -10.554 1.00 12.12 C ATOM 124 O THR A 6 8.933 -1.985 -11.778 1.00 51.21 O ATOM 125 CB THR A 6 9.202 -4.221 -9.675 1.00 0.24 C ATOM 126 OG1 THR A 6 8.542 -5.380 -9.152 1.00 2.23 O ATOM 127 CG2 THR A 6 10.427 -3.913 -8.810 1.00 50.35 C ATOM 0 H THR A 6 6.941 -4.297 -10.821 1.00 42.11 H new ATOM 0 HA THR A 6 8.043 -2.672 -8.712 1.00 74.15 H new ATOM 0 HB THR A 6 9.543 -4.404 -10.694 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.172 -6.130 -9.122 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.093 -4.776 -8.801 1.00 50.35 H new ATOM 0 HG22 THR A 6 10.955 -3.052 -9.220 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.107 -3.691 -7.792 1.00 50.35 H new ATOM 135 N ILE A 7 9.171 -0.811 -9.854 1.00 11.44 N ATOM 136 CA ILE A 7 9.751 0.377 -10.483 1.00 72.43 C ATOM 137 C ILE A 7 11.230 0.507 -10.111 1.00 45.55 C ATOM 138 O ILE A 7 12.056 0.875 -10.951 1.00 31.04 O ATOM 139 CB ILE A 7 8.988 1.677 -10.085 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.483 1.382 -9.922 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.215 2.770 -11.138 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.708 2.410 -9.112 1.00 14.43 C ATOM 0 H ILE A 7 9.072 -0.738 -8.841 1.00 11.44 H new ATOM 0 HA ILE A 7 9.657 0.252 -11.562 1.00 72.43 H new ATOM 0 HB ILE A 7 9.375 2.034 -9.131 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.034 1.309 -10.912 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.369 0.407 -9.447 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.677 3.672 -10.848 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.280 2.990 -11.210 1.00 0.24 H new ATOM 0 HG23 ILE A 7 8.850 2.425 -12.105 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.661 2.114 -9.055 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.124 2.469 -8.106 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.783 3.385 -9.594 1.00 14.43 H new ATOM 154 N SER A 8 11.547 0.202 -8.847 1.00 5.12 N ATOM 155 CA SER A 8 12.916 0.272 -8.347 1.00 32.42 C ATOM 156 C SER A 8 13.270 -1.003 -7.573 1.00 21.20 C ATOM 157 O SER A 8 12.623 -1.312 -6.568 1.00 31.34 O ATOM 158 CB SER A 8 13.095 1.499 -7.448 1.00 74.32 C ATOM 159 OG SER A 8 14.466 1.761 -7.201 1.00 64.33 O ATOM 0 H SER A 8 10.864 -0.097 -8.151 1.00 5.12 H new ATOM 0 HA SER A 8 13.588 0.361 -9.200 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.636 2.368 -7.919 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.577 1.338 -6.502 1.00 74.32 H new ATOM 0 HG SER A 8 14.550 2.550 -6.626 1.00 64.33 H new ATOM 165 N PRO A 9 14.304 -1.771 -8.029 1.00 51.01 N ATOM 166 CA PRO A 9 14.723 -3.020 -7.362 1.00 23.32 C ATOM 167 C PRO A 9 15.427 -2.785 -6.017 1.00 51.21 C ATOM 168 O PRO A 9 16.343 -1.962 -5.922 1.00 32.12 O ATOM 169 CB PRO A 9 15.680 -3.656 -8.377 1.00 21.35 C ATOM 170 CG PRO A 9 16.223 -2.517 -9.167 1.00 44.13 C ATOM 171 CD PRO A 9 15.126 -1.497 -9.238 1.00 61.42 C ATOM 0 HA PRO A 9 13.868 -3.645 -7.107 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.478 -4.204 -7.876 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.159 -4.367 -9.018 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.111 -2.101 -8.691 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.519 -2.841 -10.165 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.523 -0.482 -9.229 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.541 -1.603 -10.151 1.00 61.42 H new ATOM 179 N GLY A 10 14.979 -3.518 -4.991 1.00 11.52 N ATOM 180 CA GLY A 10 15.556 -3.398 -3.660 1.00 4.35 C ATOM 181 C GLY A 10 16.556 -4.501 -3.366 1.00 44.33 C ATOM 182 O GLY A 10 17.545 -4.646 -4.091 1.00 23.33 O ATOM 0 H GLY A 10 14.221 -4.197 -5.063 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.048 -2.430 -3.565 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.759 -3.425 -2.917 1.00 4.35 H new ATOM 186 N ASP A 11 16.300 -5.279 -2.303 1.00 12.02 N ATOM 187 CA ASP A 11 17.181 -6.388 -1.918 1.00 21.40 C ATOM 188 C ASP A 11 16.848 -7.657 -2.712 1.00 61.45 C ATOM 189 O ASP A 11 17.748 -8.323 -3.232 1.00 53.40 O ATOM 190 CB ASP A 11 17.074 -6.661 -0.413 1.00 15.33 C ATOM 191 CG ASP A 11 17.802 -5.623 0.419 1.00 54.04 C ATOM 192 OD1 ASP A 11 17.125 -4.819 1.093 1.00 2.54 O ATOM 193 OD2 ASP A 11 19.051 -5.614 0.396 1.00 3.25 O ATOM 0 H ASP A 11 15.489 -5.159 -1.696 1.00 12.02 H new ATOM 0 HA ASP A 11 18.206 -6.099 -2.151 1.00 21.40 H new ATOM 0 HB2 ASP A 11 16.023 -6.681 -0.125 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.483 -7.648 -0.196 1.00 15.33 H new ATOM 198 N GLY A 12 15.547 -7.977 -2.796 1.00 11.03 N ATOM 199 CA GLY A 12 15.091 -9.152 -3.536 1.00 21.20 C ATOM 200 C GLY A 12 15.094 -10.433 -2.712 1.00 63.51 C ATOM 201 O GLY A 12 14.706 -11.493 -3.213 1.00 45.41 O ATOM 0 H GLY A 12 14.799 -7.437 -2.361 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.081 -8.969 -3.904 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.728 -9.291 -4.409 1.00 21.20 H new ATOM 205 N ARG A 13 15.530 -10.332 -1.450 1.00 44.41 N ATOM 206 CA ARG A 13 15.595 -11.488 -0.544 1.00 43.15 C ATOM 207 C ARG A 13 15.072 -11.142 0.860 1.00 71.41 C ATOM 208 O ARG A 13 15.060 -11.999 1.752 1.00 75.24 O ATOM 209 CB ARG A 13 17.035 -12.047 -0.470 1.00 13.14 C ATOM 210 CG ARG A 13 18.124 -11.006 -0.196 1.00 22.33 C ATOM 211 CD ARG A 13 19.515 -11.602 -0.344 1.00 60.10 C ATOM 212 NE ARG A 13 19.885 -12.445 0.800 1.00 42.52 N ATOM 213 CZ ARG A 13 21.080 -13.031 0.963 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.050 -12.881 0.062 1.00 20.42 N ATOM 215 NH2 ARG A 13 21.304 -13.773 2.038 1.00 61.14 N ATOM 0 H ARG A 13 15.845 -9.457 -1.031 1.00 44.41 H new ATOM 0 HA ARG A 13 14.945 -12.261 -0.954 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.074 -12.805 0.312 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.262 -12.548 -1.411 1.00 13.14 H new ATOM 0 HG2 ARG A 13 18.010 -10.169 -0.885 1.00 22.33 H new ATOM 0 HG3 ARG A 13 18.003 -10.608 0.811 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.559 -12.194 -1.258 1.00 60.10 H new ATOM 0 HD3 ARG A 13 20.243 -10.798 -0.450 1.00 60.10 H new ATOM 0 HE ARG A 13 19.182 -12.596 1.523 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.890 -12.312 -0.770 1.00 20.42 H new ATOM 0 HH12 ARG A 13 22.952 -13.335 0.204 1.00 20.42 H new ATOM 0 HH21 ARG A 13 20.570 -13.896 2.735 1.00 61.14 H new ATOM 0 HH22 ARG A 13 22.211 -14.222 2.168 1.00 61.14 H new ATOM 229 N THR A 14 14.632 -9.892 1.041 1.00 42.14 N ATOM 230 CA THR A 14 14.120 -9.429 2.325 1.00 3.41 C ATOM 231 C THR A 14 12.685 -8.912 2.170 1.00 32.20 C ATOM 232 O THR A 14 12.460 -7.744 1.835 1.00 15.22 O ATOM 233 CB THR A 14 15.035 -8.328 2.919 1.00 43.13 C ATOM 234 OG1 THR A 14 16.412 -8.636 2.662 1.00 71.40 O ATOM 235 CG2 THR A 14 14.833 -8.182 4.423 1.00 52.24 C ATOM 0 H THR A 14 14.622 -9.184 0.307 1.00 42.14 H new ATOM 0 HA THR A 14 14.114 -10.272 3.016 1.00 3.41 H new ATOM 0 HB THR A 14 14.766 -7.388 2.438 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.981 -7.933 3.040 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.491 -7.401 4.804 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.796 -7.914 4.627 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.067 -9.126 4.915 1.00 52.24 H new ATOM 243 N PHE A 15 11.723 -9.807 2.400 1.00 33.20 N ATOM 244 CA PHE A 15 10.303 -9.470 2.296 1.00 11.33 C ATOM 245 C PHE A 15 9.674 -9.294 3.683 1.00 41.44 C ATOM 246 O PHE A 15 10.112 -9.938 4.641 1.00 72.11 O ATOM 247 CB PHE A 15 9.551 -10.560 1.526 1.00 23.11 C ATOM 248 CG PHE A 15 9.979 -10.701 0.091 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.123 -11.412 -0.240 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.240 -10.119 -0.925 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.520 -11.540 -1.554 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.632 -10.244 -2.244 1.00 12.41 C ATOM 253 CZ PHE A 15 10.774 -10.955 -2.560 1.00 50.43 C ATOM 0 H PHE A 15 11.904 -10.776 2.661 1.00 33.20 H new ATOM 0 HA PHE A 15 10.224 -8.526 1.756 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.695 -11.514 2.033 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.484 -10.341 1.556 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.710 -11.871 0.542 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.347 -9.561 -0.684 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.413 -12.097 -1.797 1.00 21.24 H new ATOM 0 HE2 PHE A 15 9.046 -9.786 -3.027 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.083 -11.053 -3.590 1.00 50.43 H new ATOM 263 N PRO A 16 8.630 -8.418 3.815 1.00 13.34 N ATOM 264 CA PRO A 16 7.951 -8.184 5.103 1.00 31.25 C ATOM 265 C PRO A 16 7.158 -9.404 5.585 1.00 31.31 C ATOM 266 O PRO A 16 6.305 -9.932 4.863 1.00 15.10 O ATOM 267 CB PRO A 16 7.015 -6.996 4.829 1.00 64.23 C ATOM 268 CG PRO A 16 6.854 -6.927 3.346 1.00 2.14 C ATOM 269 CD PRO A 16 8.064 -7.579 2.731 1.00 35.24 C ATOM 0 HA PRO A 16 8.670 -7.988 5.899 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.052 -7.138 5.319 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.437 -6.070 5.218 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.943 -7.438 3.035 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.767 -5.891 3.017 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.792 -8.182 1.865 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.784 -6.835 2.389 1.00 35.24 H new HETATM 277 N MLY A 17 7.464 -9.840 6.811 1.00 65.54 N HETATM 278 CA MLY A 17 6.814 -11.004 7.423 1.00 1.40 C HETATM 279 CB MLY A 17 7.797 -11.729 8.356 1.00 3.13 C HETATM 280 CG MLY A 17 9.094 -12.159 7.681 1.00 4.51 C HETATM 281 CD MLY A 17 9.993 -12.924 8.638 1.00 62.24 C HETATM 282 CE MLY A 17 11.428 -12.419 8.578 1.00 72.30 C HETATM 283 NZ MLY A 17 12.326 -13.377 9.245 1.00 51.13 N HETATM 284 CH1 MLY A 17 13.014 -12.714 10.363 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.324 -13.870 8.282 1.00 4.23 C HETATM 286 C MLY A 17 5.561 -10.598 8.198 1.00 62.13 C HETATM 287 O MLY A 17 5.420 -9.442 8.610 1.00 41.31 O HETATM 0 HH23 MLY A 17 12.817 -14.365 7.454 1.00 4.23 H new HETATM 0 HH22 MLY A 17 13.907 -13.032 7.901 1.00 4.23 H new HETATM 0 HH21 MLY A 17 13.988 -14.579 8.777 1.00 4.23 H new HETATM 0 HH13 MLY A 17 13.598 -11.875 9.985 1.00 21.43 H new HETATM 0 HH12 MLY A 17 12.277 -12.350 11.079 1.00 21.43 H new HETATM 0 HH11 MLY A 17 13.678 -13.425 10.855 1.00 21.43 H new HETATM 0 HG3 MLY A 17 8.866 -12.783 6.817 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.621 -11.280 7.309 1.00 4.51 H new HETATM 0 HE3 MLY A 17 11.732 -12.285 7.540 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.500 -11.444 9.060 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.613 -12.824 9.655 1.00 62.24 H new HETATM 0 HD2 MLY A 17 9.969 -13.986 8.392 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.036 -11.074 9.194 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.306 -12.610 8.770 1.00 3.13 H new HETATM 0 HA MLY A 17 6.512 -11.679 6.622 1.00 1.40 H new HETATM 0 H MLY A 17 8.435 -9.622 7.034 1.00 65.54 H new ATOM 304 N ARG A 18 4.657 -11.569 8.389 1.00 75.42 N ATOM 305 CA ARG A 18 3.399 -11.358 9.105 1.00 34.53 C ATOM 306 C ARG A 18 3.626 -11.324 10.625 1.00 50.25 C ATOM 307 O ARG A 18 4.254 -12.227 11.186 1.00 2.04 O ATOM 308 CB ARG A 18 2.426 -12.480 8.724 1.00 61.11 C ATOM 309 CG ARG A 18 0.966 -12.199 9.054 1.00 12.50 C ATOM 310 CD ARG A 18 0.073 -13.341 8.599 1.00 23.10 C ATOM 311 NE ARG A 18 -0.214 -13.281 7.161 1.00 72.31 N ATOM 312 CZ ARG A 18 -0.944 -14.184 6.489 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.477 -15.236 7.107 1.00 2.12 N ATOM 314 NH2 ARG A 18 -1.140 -14.029 5.187 1.00 35.44 N ATOM 0 H ARG A 18 4.781 -12.523 8.049 1.00 75.42 H new ATOM 0 HA ARG A 18 2.978 -10.393 8.822 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.512 -12.669 7.654 1.00 61.11 H new ATOM 0 HB3 ARG A 18 2.730 -13.394 9.234 1.00 61.11 H new ATOM 0 HG2 ARG A 18 0.855 -12.052 10.128 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.652 -11.273 8.571 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.554 -14.291 8.833 1.00 23.10 H new ATOM 0 HD3 ARG A 18 -0.863 -13.312 9.156 1.00 23.10 H new ATOM 0 HE ARG A 18 0.169 -12.496 6.634 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -1.333 -15.366 8.108 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.029 -15.912 6.579 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -0.737 -13.227 4.702 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -1.694 -14.712 4.670 1.00 35.44 H new ATOM 328 N GLY A 19 3.107 -10.272 11.269 1.00 24.02 N ATOM 329 CA GLY A 19 3.251 -10.116 12.712 1.00 64.12 C ATOM 330 C GLY A 19 4.142 -8.945 13.099 1.00 64.12 C ATOM 331 O GLY A 19 3.988 -8.381 14.186 1.00 0.22 O ATOM 0 H GLY A 19 2.587 -9.523 10.812 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.266 -9.978 13.157 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.664 -11.033 13.131 1.00 64.12 H new ATOM 335 N GLN A 20 5.073 -8.585 12.208 1.00 1.30 N ATOM 336 CA GLN A 20 6.006 -7.477 12.445 1.00 31.02 C ATOM 337 C GLN A 20 5.538 -6.208 11.728 1.00 45.43 C ATOM 338 O GLN A 20 4.735 -6.278 10.791 1.00 32.11 O ATOM 339 CB GLN A 20 7.439 -7.853 12.009 1.00 72.14 C ATOM 340 CG GLN A 20 7.528 -8.664 10.716 1.00 0.44 C ATOM 341 CD GLN A 20 8.660 -8.210 9.822 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.368 -7.260 8.945 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 9.783 -8.706 9.918 1.00 33.54 N flip ATOM 0 H GLN A 20 5.201 -9.049 11.309 1.00 1.30 H new ATOM 0 HA GLN A 20 6.022 -7.278 13.517 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.018 -6.937 11.887 1.00 72.14 H new ATOM 0 HB3 GLN A 20 7.909 -8.422 12.811 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.663 -9.718 10.961 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.586 -8.581 10.174 1.00 0.44 H new ATOM 0 HE21 GLN A 20 9.961 -9.435 10.608 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.535 -8.387 9.307 1.00 33.54 H new ATOM 352 N THR A 21 6.049 -5.049 12.174 1.00 41.53 N ATOM 353 CA THR A 21 5.682 -3.755 11.589 1.00 5.30 C ATOM 354 C THR A 21 6.491 -3.467 10.323 1.00 73.13 C ATOM 355 O THR A 21 7.666 -3.834 10.230 1.00 42.40 O ATOM 356 CB THR A 21 5.874 -2.589 12.588 1.00 62.42 C ATOM 357 OG1 THR A 21 5.932 -3.081 13.935 1.00 0.54 O ATOM 358 CG2 THR A 21 4.736 -1.582 12.473 1.00 71.14 C ATOM 0 H THR A 21 6.719 -4.985 12.940 1.00 41.53 H new ATOM 0 HA THR A 21 4.624 -3.825 11.335 1.00 5.30 H new ATOM 0 HB THR A 21 6.814 -2.096 12.342 1.00 62.42 H new ATOM 0 HG1 THR A 21 6.055 -2.330 14.553 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.894 -0.772 13.185 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.710 -1.176 11.462 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.789 -2.077 12.690 1.00 71.14 H new ATOM 366 N CYS A 22 5.841 -2.808 9.360 1.00 42.51 N ATOM 367 CA CYS A 22 6.467 -2.465 8.089 1.00 32.11 C ATOM 368 C CYS A 22 6.417 -0.959 7.852 1.00 1.42 C ATOM 369 O CYS A 22 5.336 -0.365 7.765 1.00 21.41 O ATOM 370 CB CYS A 22 5.775 -3.205 6.939 1.00 52.32 C ATOM 371 SG CYS A 22 6.601 -3.027 5.340 1.00 70.12 S ATOM 0 H CYS A 22 4.872 -2.501 9.442 1.00 42.51 H new ATOM 0 HA CYS A 22 7.512 -2.773 8.128 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.714 -4.264 7.188 1.00 52.32 H new ATOM 0 HB3 CYS A 22 4.752 -2.839 6.850 1.00 52.32 H new ATOM 0 HG CYS A 22 5.943 -3.689 4.435 1.00 70.12 H new ATOM 377 N VAL A 23 7.602 -0.352 7.762 1.00 22.12 N ATOM 378 CA VAL A 23 7.736 1.090 7.523 1.00 41.54 C ATOM 379 C VAL A 23 7.840 1.354 6.019 1.00 42.33 C ATOM 380 O VAL A 23 8.845 1.006 5.388 1.00 53.12 O ATOM 381 CB VAL A 23 8.976 1.697 8.247 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.947 3.224 8.216 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.089 1.179 9.679 1.00 4.23 C ATOM 0 H VAL A 23 8.492 -0.841 7.852 1.00 22.12 H new ATOM 0 HA VAL A 23 6.849 1.573 7.932 1.00 41.54 H new ATOM 0 HB VAL A 23 9.863 1.372 7.704 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.825 3.615 8.729 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.949 3.567 7.181 1.00 63.04 H new ATOM 0 HG13 VAL A 23 8.046 3.581 8.715 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.963 1.620 10.158 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.193 1.453 10.237 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.191 0.094 9.666 1.00 4.23 H new ATOM 393 N VAL A 24 6.792 1.963 5.457 1.00 14.00 N ATOM 394 CA VAL A 24 6.747 2.265 4.021 1.00 22.54 C ATOM 395 C VAL A 24 5.959 3.547 3.743 1.00 24.45 C ATOM 396 O VAL A 24 5.072 3.923 4.515 1.00 4.04 O ATOM 397 CB VAL A 24 6.142 1.096 3.167 1.00 30.52 C ATOM 398 CG1 VAL A 24 7.039 -0.133 3.189 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.742 0.702 3.624 1.00 42.42 C ATOM 0 H VAL A 24 5.963 2.257 5.973 1.00 14.00 H new ATOM 0 HA VAL A 24 7.786 2.400 3.720 1.00 22.54 H new ATOM 0 HB VAL A 24 6.075 1.477 2.148 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.589 -0.923 2.587 1.00 13.53 H new ATOM 0 HG12 VAL A 24 8.016 0.123 2.780 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.155 -0.480 4.216 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.371 -0.111 3.000 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.777 0.374 4.663 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.076 1.560 3.537 1.00 42.42 H new ATOM 409 N HIS A 25 6.300 4.199 2.633 1.00 54.10 N ATOM 410 CA HIS A 25 5.631 5.421 2.204 1.00 74.10 C ATOM 411 C HIS A 25 4.680 5.100 1.052 1.00 33.22 C ATOM 412 O HIS A 25 5.098 4.525 0.042 1.00 41.11 O ATOM 413 CB HIS A 25 6.672 6.456 1.771 1.00 2.24 C ATOM 414 CG HIS A 25 7.021 7.456 2.828 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.159 8.428 3.279 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.176 7.629 3.524 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.801 9.144 4.209 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.027 8.701 4.395 1.00 4.31 N ATOM 0 H HIS A 25 7.046 3.894 2.008 1.00 54.10 H new ATOM 0 HA HIS A 25 5.055 5.836 3.031 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.580 5.936 1.465 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.298 6.986 0.895 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.067 7.029 3.417 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.369 9.979 4.740 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.723 9.069 5.044 1.00 4.31 H new ATOM 426 N TYR A 26 3.405 5.471 1.208 1.00 62.35 N ATOM 427 CA TYR A 26 2.392 5.198 0.187 1.00 21.44 C ATOM 428 C TYR A 26 1.806 6.483 -0.412 1.00 74.34 C ATOM 429 O TYR A 26 1.986 7.576 0.132 1.00 64.11 O ATOM 430 CB TYR A 26 1.276 4.304 0.773 1.00 4.12 C ATOM 431 CG TYR A 26 0.371 4.977 1.791 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.774 5.651 1.385 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.660 4.935 3.148 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.606 6.264 2.298 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.170 5.547 4.071 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.301 6.209 3.640 1.00 12.10 C ATOM 437 OH TYR A 26 -2.127 6.819 4.556 1.00 1.22 O ATOM 0 H TYR A 26 3.052 5.960 2.030 1.00 62.35 H new ATOM 0 HA TYR A 26 2.882 4.668 -0.629 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.661 3.935 -0.048 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.738 3.435 1.241 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -1.017 5.696 0.334 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.545 4.418 3.488 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.491 6.784 1.963 1.00 73.10 H new ATOM 0 HE2 TYR A 26 0.067 5.507 5.124 1.00 12.01 H new ATOM 0 HH TYR A 26 -1.770 6.685 5.459 1.00 1.22 H new ATOM 447 N THR A 27 1.102 6.317 -1.540 1.00 54.44 N ATOM 448 CA THR A 27 0.447 7.418 -2.242 1.00 13.54 C ATOM 449 C THR A 27 -0.827 6.902 -2.923 1.00 42.43 C ATOM 450 O THR A 27 -0.757 6.157 -3.907 1.00 34.01 O ATOM 451 CB THR A 27 1.381 8.071 -3.299 1.00 41.24 C ATOM 452 OG1 THR A 27 2.736 8.073 -2.830 1.00 5.33 O ATOM 453 CG2 THR A 27 0.958 9.505 -3.598 1.00 10.41 C ATOM 0 H THR A 27 0.973 5.410 -1.989 1.00 54.44 H new ATOM 0 HA THR A 27 0.197 8.183 -1.507 1.00 13.54 H new ATOM 0 HB THR A 27 1.306 7.483 -4.213 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.315 8.485 -3.505 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.630 9.935 -4.341 1.00 10.41 H new ATOM 0 HG22 THR A 27 -0.061 9.511 -3.984 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.002 10.096 -2.683 1.00 10.41 H new ATOM 461 N GLY A 28 -1.986 7.296 -2.378 1.00 62.24 N ATOM 462 CA GLY A 28 -3.269 6.866 -2.930 1.00 22.33 C ATOM 463 C GLY A 28 -3.794 7.801 -4.008 1.00 23.41 C ATOM 464 O GLY A 28 -4.025 8.986 -3.753 1.00 74.50 O ATOM 0 H GLY A 28 -2.057 7.906 -1.563 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.162 5.864 -3.346 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -4.001 6.801 -2.125 1.00 22.33 H new ATOM 468 N MET A 29 -3.979 7.248 -5.211 1.00 72.23 N ATOM 469 CA MET A 29 -4.467 8.001 -6.370 1.00 35.31 C ATOM 470 C MET A 29 -5.566 7.238 -7.092 1.00 35.15 C ATOM 471 O MET A 29 -5.410 6.053 -7.401 1.00 40.34 O ATOM 472 CB MET A 29 -3.313 8.285 -7.339 1.00 63.22 C ATOM 473 CG MET A 29 -2.353 9.366 -6.873 1.00 23.45 C ATOM 474 SD MET A 29 -0.787 9.356 -7.778 1.00 60.11 S ATOM 475 CE MET A 29 0.014 7.888 -7.118 1.00 24.43 C ATOM 0 H MET A 29 -3.794 6.264 -5.408 1.00 72.23 H new ATOM 0 HA MET A 29 -4.879 8.944 -6.011 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.753 7.363 -7.498 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.728 8.576 -8.304 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.827 10.340 -6.989 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.153 9.233 -5.810 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.076 7.912 -7.362 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.109 7.862 -6.035 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.439 6.998 -7.556 1.00 24.43 H new ATOM 485 N LEU A 30 -6.685 7.936 -7.350 1.00 40.05 N ATOM 486 CA LEU A 30 -7.843 7.366 -8.063 1.00 32.04 C ATOM 487 C LEU A 30 -7.458 6.773 -9.430 1.00 0.41 C ATOM 488 O LEU A 30 -6.331 6.961 -9.901 1.00 4.33 O ATOM 489 CB LEU A 30 -8.910 8.455 -8.262 1.00 20.24 C ATOM 490 CG LEU A 30 -9.892 8.644 -7.102 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.526 10.024 -7.159 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.970 7.569 -7.125 1.00 0.13 C ATOM 0 H LEU A 30 -6.813 8.909 -7.071 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.234 6.553 -7.451 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.405 9.404 -8.444 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.480 8.219 -9.161 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.335 8.554 -6.170 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.221 10.140 -6.327 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.748 10.785 -7.091 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.064 10.138 -8.100 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.656 7.724 -6.292 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.521 7.626 -8.064 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.506 6.587 -7.036 1.00 0.13 H new ATOM 504 N GLU A 31 -8.412 6.058 -10.060 1.00 10.33 N ATOM 505 CA GLU A 31 -8.213 5.433 -11.377 1.00 40.43 C ATOM 506 C GLU A 31 -7.769 6.449 -12.440 1.00 13.34 C ATOM 507 O GLU A 31 -7.094 6.089 -13.409 1.00 3.22 O ATOM 508 CB GLU A 31 -9.510 4.759 -11.820 1.00 23.24 C ATOM 509 CG GLU A 31 -9.286 3.452 -12.549 1.00 62.31 C ATOM 510 CD GLU A 31 -10.581 2.772 -12.950 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.056 3.019 -14.078 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.120 1.994 -12.135 1.00 72.00 O ATOM 0 H GLU A 31 -9.340 5.900 -9.668 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.417 4.695 -11.277 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.134 4.577 -10.945 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.062 5.439 -12.469 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.687 3.637 -13.441 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.711 2.780 -11.912 1.00 62.31 H new ATOM 519 N ASP A 32 -8.159 7.711 -12.238 1.00 34.23 N ATOM 520 CA ASP A 32 -7.807 8.798 -13.149 1.00 2.24 C ATOM 521 C ASP A 32 -6.468 9.444 -12.756 1.00 23.33 C ATOM 522 O ASP A 32 -5.863 10.149 -13.570 1.00 53.30 O ATOM 523 CB ASP A 32 -8.919 9.854 -13.160 1.00 52.51 C ATOM 524 CG ASP A 32 -8.977 10.637 -14.461 1.00 32.21 C ATOM 525 OD1 ASP A 32 -8.301 11.683 -14.555 1.00 41.21 O ATOM 526 OD2 ASP A 32 -9.698 10.202 -15.384 1.00 44.13 O ATOM 0 H ASP A 32 -8.725 8.004 -11.442 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.698 8.379 -14.149 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.879 9.365 -12.993 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.765 10.546 -12.332 1.00 52.51 H new ATOM 531 N GLY A 33 -6.014 9.204 -11.512 1.00 51.42 N ATOM 532 CA GLY A 33 -4.748 9.765 -11.058 1.00 4.22 C ATOM 533 C GLY A 33 -4.924 10.907 -10.077 1.00 24.43 C ATOM 534 O GLY A 33 -3.970 11.641 -9.803 1.00 35.01 O ATOM 0 H GLY A 33 -6.502 8.634 -10.821 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.156 8.979 -10.590 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.183 10.118 -11.921 1.00 4.22 H new HETATM 538 N MLY A 34 -6.146 11.056 -9.548 1.00 33.34 N HETATM 539 CA MLY A 34 -6.453 12.107 -8.582 1.00 10.41 C HETATM 540 CB MLY A 34 -7.910 12.564 -8.724 1.00 31.10 C HETATM 541 CG MLY A 34 -8.147 13.490 -9.909 1.00 32.53 C HETATM 542 CD MLY A 34 -8.195 14.947 -9.478 1.00 45.44 C HETATM 543 CE MLY A 34 -8.232 15.883 -10.677 1.00 24.42 C HETATM 544 NZ MLY A 34 -7.968 17.265 -10.242 1.00 25.53 N HETATM 545 CH1 MLY A 34 -9.117 18.118 -10.584 1.00 63.25 C HETATM 546 CH2 MLY A 34 -6.765 17.774 -10.920 1.00 35.50 C HETATM 547 C MLY A 34 -6.189 11.600 -7.169 1.00 13.44 C HETATM 548 O MLY A 34 -6.863 10.679 -6.692 1.00 42.22 O HETATM 0 HH23 MLY A 34 -5.911 17.145 -10.667 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -6.921 17.757 -11.999 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -6.571 18.797 -10.597 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -9.274 18.102 -11.663 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -10.010 17.745 -10.082 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -8.920 19.140 -10.261 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.353 13.353 -10.643 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -9.084 13.223 -10.399 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -7.489 15.576 -11.412 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -9.205 15.825 -11.164 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -9.075 15.115 -8.857 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -7.323 15.175 -8.864 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.549 11.687 -8.826 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.213 13.074 -7.809 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.809 12.964 -8.778 1.00 10.41 H new HETATM 0 H MLY A 34 -6.866 10.730 -10.193 1.00 33.34 H new HETATM 565 N MLY A 35 -5.190 12.199 -6.508 1.00 11.11 N HETATM 566 CA MLY A 35 -4.810 11.809 -5.149 1.00 61.33 C HETATM 567 CB MLY A 35 -3.554 12.531 -4.701 1.00 75.25 C HETATM 568 CG MLY A 35 -2.461 11.589 -4.206 1.00 53.41 C HETATM 569 CD MLY A 35 -1.623 12.185 -3.068 1.00 45.12 C HETATM 570 CE MLY A 35 -1.226 13.664 -3.301 1.00 62.43 C HETATM 571 NZ MLY A 35 -0.489 14.297 -2.153 1.00 22.02 N HETATM 572 CH1 MLY A 35 0.900 13.790 -2.073 1.00 0.41 C HETATM 573 CH2 MLY A 35 -1.201 14.083 -0.871 1.00 55.25 C HETATM 574 C MLY A 35 -5.905 12.083 -4.149 1.00 41.14 C HETATM 575 O MLY A 35 -6.679 13.034 -4.294 1.00 10.14 O HETATM 0 HH23 MLY A 35 -2.196 14.525 -0.929 1.00 55.25 H new HETATM 0 HH22 MLY A 35 -1.289 13.014 -0.678 1.00 55.25 H new HETATM 0 HH21 MLY A 35 -0.642 14.553 -0.062 1.00 55.25 H new HETATM 0 HH13 MLY A 35 0.885 12.710 -1.927 1.00 0.41 H new HETATM 0 HH12 MLY A 35 1.426 14.024 -2.998 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.412 14.263 -1.235 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.918 10.660 -3.865 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.804 11.335 -5.038 1.00 53.41 H new HETATM 0 HE3 MLY A 35 -0.604 13.724 -4.194 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -2.128 14.242 -3.501 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -2.184 12.110 -2.137 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -0.718 11.590 -2.943 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -3.167 13.121 -5.531 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.810 13.230 -3.905 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.627 10.735 -5.184 1.00 61.33 H new HETATM 0 H MLY A 35 -4.626 12.878 -7.020 1.00 11.11 H new ATOM 592 N PHE A 36 -5.952 11.231 -3.136 1.00 13.53 N ATOM 593 CA PHE A 36 -6.939 11.349 -2.084 1.00 33.32 C ATOM 594 C PHE A 36 -6.308 11.244 -0.693 1.00 4.15 C ATOM 595 O PHE A 36 -6.973 11.564 0.297 1.00 61.44 O ATOM 596 CB PHE A 36 -8.062 10.305 -2.273 1.00 44.41 C ATOM 597 CG PHE A 36 -7.623 8.865 -2.420 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.610 8.261 -3.666 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.263 8.112 -1.312 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.250 6.934 -3.807 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.894 6.785 -1.447 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.891 6.194 -2.697 1.00 32.03 C ATOM 0 H PHE A 36 -5.311 10.446 -3.024 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.381 12.343 -2.155 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.737 10.371 -1.420 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.638 10.579 -3.157 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.885 8.834 -4.539 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.271 8.567 -0.332 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -7.249 6.476 -4.785 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.609 6.212 -0.577 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.609 5.157 -2.805 1.00 32.03 H new ATOM 612 N ASP A 37 -5.014 10.825 -0.618 1.00 71.54 N ATOM 613 CA ASP A 37 -4.307 10.667 0.682 1.00 12.22 C ATOM 614 C ASP A 37 -2.951 9.979 0.536 1.00 5.44 C ATOM 615 O ASP A 37 -2.868 8.815 0.125 1.00 15.20 O ATOM 616 CB ASP A 37 -5.135 9.871 1.714 1.00 35.30 C ATOM 617 CG ASP A 37 -5.630 10.740 2.854 1.00 41.23 C ATOM 618 OD1 ASP A 37 -6.840 11.049 2.884 1.00 70.34 O ATOM 619 OD2 ASP A 37 -4.807 11.110 3.718 1.00 70.24 O ATOM 0 H ASP A 37 -4.446 10.593 -1.433 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.160 11.687 1.039 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.988 9.412 1.214 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.527 9.061 2.116 1.00 35.30 H new ATOM 624 N SER A 38 -1.895 10.723 0.861 1.00 35.14 N ATOM 625 CA SER A 38 -0.528 10.199 0.841 1.00 72.05 C ATOM 626 C SER A 38 0.128 10.355 2.207 1.00 61.33 C ATOM 627 O SER A 38 -0.146 11.316 2.932 1.00 53.42 O ATOM 628 CB SER A 38 0.315 10.896 -0.215 1.00 1.53 C ATOM 629 OG SER A 38 1.448 10.119 -0.559 1.00 1.21 O ATOM 0 H SER A 38 -1.961 11.701 1.144 1.00 35.14 H new ATOM 0 HA SER A 38 -0.587 9.139 0.592 1.00 72.05 H new ATOM 0 HB2 SER A 38 -0.288 11.078 -1.104 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.637 11.869 0.156 1.00 1.53 H new ATOM 0 HG SER A 38 1.406 9.256 -0.096 1.00 1.21 H new ATOM 635 N SER A 39 0.996 9.398 2.542 1.00 34.10 N ATOM 636 CA SER A 39 1.725 9.395 3.821 1.00 3.40 C ATOM 637 C SER A 39 2.915 10.364 3.810 1.00 71.04 C ATOM 638 O SER A 39 3.277 10.923 4.849 1.00 14.42 O ATOM 639 CB SER A 39 2.220 7.983 4.142 1.00 71.12 C ATOM 640 OG SER A 39 2.998 7.459 3.081 1.00 65.25 O ATOM 0 H SER A 39 1.216 8.604 1.940 1.00 34.10 H new ATOM 0 HA SER A 39 1.028 9.729 4.590 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.813 8.002 5.056 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.368 7.330 4.328 1.00 71.12 H new ATOM 0 HG SER A 39 3.927 7.754 3.180 1.00 65.25 H new ATOM 646 N ARG A 40 3.507 10.557 2.623 1.00 52.53 N ATOM 647 CA ARG A 40 4.673 11.439 2.444 1.00 1.22 C ATOM 648 C ARG A 40 4.303 12.934 2.480 1.00 23.13 C ATOM 649 O ARG A 40 5.154 13.770 2.797 1.00 22.12 O ATOM 650 CB ARG A 40 5.403 11.107 1.129 1.00 50.10 C ATOM 651 CG ARG A 40 4.516 11.177 -0.106 1.00 40.44 C ATOM 652 CD ARG A 40 5.313 11.517 -1.354 1.00 34.30 C ATOM 653 NE ARG A 40 4.465 11.575 -2.550 1.00 13.41 N ATOM 654 CZ ARG A 40 4.900 11.880 -3.781 1.00 54.32 C ATOM 655 NH1 ARG A 40 6.182 12.161 -4.009 1.00 24.54 N ATOM 656 NH2 ARG A 40 4.042 11.903 -4.792 1.00 51.01 N ATOM 0 H ARG A 40 3.194 10.109 1.762 1.00 52.53 H new ATOM 0 HA ARG A 40 5.337 11.253 3.288 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.237 11.797 1.004 1.00 50.10 H new ATOM 0 HB3 ARG A 40 5.826 10.105 1.203 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.012 10.221 -0.246 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.740 11.927 0.046 1.00 40.44 H new ATOM 0 HD2 ARG A 40 5.811 12.477 -1.216 1.00 34.30 H new ATOM 0 HD3 ARG A 40 6.094 10.771 -1.500 1.00 34.30 H new ATOM 0 HE ARG A 40 3.473 11.368 -2.437 1.00 13.41 H new ATOM 0 HH11 ARG A 40 6.852 12.146 -3.240 1.00 24.54 H new ATOM 0 HH12 ARG A 40 6.494 12.391 -4.953 1.00 24.54 H new ATOM 0 HH21 ARG A 40 3.058 11.689 -4.631 1.00 51.01 H new ATOM 0 HH22 ARG A 40 4.366 12.134 -5.731 1.00 51.01 H new ATOM 670 N ASP A 41 3.036 13.263 2.150 1.00 23.13 N ATOM 671 CA ASP A 41 2.562 14.665 2.154 1.00 52.45 C ATOM 672 C ASP A 41 2.675 15.281 3.554 1.00 31.20 C ATOM 673 O ASP A 41 2.864 16.492 3.697 1.00 42.45 O ATOM 674 CB ASP A 41 1.111 14.747 1.667 1.00 64.34 C ATOM 675 CG ASP A 41 0.783 16.088 1.024 1.00 34.14 C ATOM 676 OD1 ASP A 41 0.833 16.182 -0.224 1.00 51.32 O ATOM 677 OD2 ASP A 41 0.476 17.042 1.768 1.00 2.32 O ATOM 0 H ASP A 41 2.326 12.582 1.879 1.00 23.13 H new ATOM 0 HA ASP A 41 3.198 15.231 1.473 1.00 52.45 H new ATOM 0 HB2 ASP A 41 0.928 13.949 0.948 1.00 64.34 H new ATOM 0 HB3 ASP A 41 0.439 14.578 2.509 1.00 64.34 H new ATOM 682 N ARG A 42 2.555 14.422 4.571 1.00 55.15 N ATOM 683 CA ARG A 42 2.663 14.834 5.972 1.00 51.54 C ATOM 684 C ARG A 42 4.112 14.678 6.455 1.00 4.45 C ATOM 685 O ARG A 42 4.430 14.959 7.616 1.00 25.12 O ATOM 686 CB ARG A 42 1.720 14.000 6.857 1.00 71.30 C ATOM 687 CG ARG A 42 0.270 13.984 6.383 1.00 51.14 C ATOM 688 CD ARG A 42 -0.687 13.665 7.519 1.00 2.40 C ATOM 689 NE ARG A 42 -2.086 13.675 7.077 1.00 12.24 N ATOM 690 CZ ARG A 42 -3.137 13.930 7.871 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.974 14.202 9.164 1.00 24.54 N ATOM 692 NH2 ARG A 42 -4.361 13.913 7.361 1.00 13.42 N ATOM 0 H ARG A 42 2.381 13.425 4.446 1.00 55.15 H new ATOM 0 HA ARG A 42 2.372 15.882 6.048 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.089 12.975 6.897 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.754 14.391 7.874 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.016 14.953 5.954 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.154 13.245 5.590 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.445 12.686 7.934 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.554 14.392 8.320 1.00 2.40 H new ATOM 0 HE ARG A 42 -2.273 13.473 6.095 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -2.037 14.219 9.567 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.786 14.393 9.751 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -4.498 13.707 6.372 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -5.165 14.106 7.958 1.00 13.42 H new ATOM 706 N ASN A 43 4.994 14.234 5.527 1.00 54.33 N ATOM 707 CA ASN A 43 6.434 14.009 5.790 1.00 4.33 C ATOM 708 C ASN A 43 6.649 12.930 6.867 1.00 11.11 C ATOM 709 O ASN A 43 7.540 13.046 7.720 1.00 34.31 O ATOM 710 CB ASN A 43 7.145 15.325 6.176 1.00 24.02 C ATOM 711 CG ASN A 43 7.235 16.301 5.018 1.00 72.44 C ATOM 712 OD1 ASN A 43 8.198 16.286 4.252 1.00 40.11 O ATOM 713 ND2 ASN A 43 6.228 17.158 4.887 1.00 53.22 N ATOM 0 H ASN A 43 4.722 14.021 4.567 1.00 54.33 H new ATOM 0 HA ASN A 43 6.881 13.646 4.864 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.609 15.794 7.001 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.149 15.099 6.535 1.00 24.02 H new ATOM 0 HD21 ASN A 43 6.234 17.839 4.128 1.00 53.22 H new ATOM 0 HD22 ASN A 43 5.449 17.135 5.546 1.00 53.22 H new HETATM 720 N MLY A 44 5.830 11.864 6.803 1.00 34.54 N HETATM 721 CA MLY A 44 5.915 10.764 7.780 1.00 24.12 C HETATM 722 CB MLY A 44 5.012 11.036 8.990 1.00 25.45 C HETATM 723 CG MLY A 44 5.699 11.831 10.090 1.00 5.24 C HETATM 724 CD MLY A 44 4.727 12.767 10.791 1.00 1.13 C HETATM 725 CE MLY A 44 5.418 13.576 11.880 1.00 34.53 C HETATM 726 NZ MLY A 44 4.738 14.872 12.048 1.00 51.05 N HETATM 727 CH1 MLY A 44 5.686 15.965 11.780 1.00 12.22 C HETATM 728 CH2 MLY A 44 4.235 14.990 13.426 1.00 50.43 C HETATM 729 C MLY A 44 5.539 9.417 7.157 1.00 2.04 C HETATM 730 O MLY A 44 4.478 9.298 6.539 1.00 74.11 O HETATM 0 HH23 MLY A 44 3.531 14.183 13.627 1.00 50.43 H new HETATM 0 HH22 MLY A 44 5.069 14.926 14.125 1.00 50.43 H new HETATM 0 HH21 MLY A 44 3.732 15.949 13.549 1.00 50.43 H new HETATM 0 HH13 MLY A 44 6.521 15.901 12.477 1.00 12.22 H new HETATM 0 HH12 MLY A 44 6.059 15.881 10.759 1.00 12.22 H new HETATM 0 HH11 MLY A 44 5.181 16.923 11.905 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.135 11.146 10.817 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.520 12.409 9.665 1.00 5.24 H new HETATM 0 HE3 MLY A 44 5.405 13.024 12.820 1.00 34.53 H new HETATM 0 HE2 MLY A 44 6.464 13.735 11.619 1.00 34.53 H new HETATM 0 HD3 MLY A 44 4.281 13.443 10.061 1.00 1.13 H new HETATM 0 HD2 MLY A 44 3.913 12.188 11.228 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.127 11.579 8.659 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.669 10.086 9.399 1.00 25.45 H new HETATM 0 HA MLY A 44 6.953 10.713 8.107 1.00 24.12 H new ATOM 747 N PRO A 45 6.412 8.371 7.309 1.00 62.03 N ATOM 748 CA PRO A 45 6.151 7.027 6.758 1.00 10.31 C ATOM 749 C PRO A 45 5.041 6.283 7.508 1.00 72.54 C ATOM 750 O PRO A 45 4.749 6.595 8.666 1.00 63.34 O ATOM 751 CB PRO A 45 7.491 6.301 6.911 1.00 65.23 C ATOM 752 CG PRO A 45 8.203 7.002 8.019 1.00 52.33 C ATOM 753 CD PRO A 45 7.720 8.428 8.013 1.00 64.14 C ATOM 0 HA PRO A 45 5.801 7.079 5.727 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.341 5.247 7.146 1.00 65.23 H new ATOM 0 HB3 PRO A 45 8.067 6.343 5.987 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.991 6.526 8.977 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.282 6.959 7.873 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.610 8.815 9.026 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.421 9.083 7.496 1.00 64.14 H new ATOM 761 N PHE A 46 4.437 5.304 6.833 1.00 52.43 N ATOM 762 CA PHE A 46 3.346 4.522 7.408 1.00 12.42 C ATOM 763 C PHE A 46 3.814 3.145 7.888 1.00 54.51 C ATOM 764 O PHE A 46 4.285 2.320 7.097 1.00 73.33 O ATOM 765 CB PHE A 46 2.224 4.377 6.375 1.00 50.23 C ATOM 766 CG PHE A 46 0.883 4.024 6.967 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.028 5.011 7.431 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.486 2.700 7.059 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.199 4.682 7.976 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.738 2.366 7.603 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.583 3.357 8.062 1.00 10.44 C ATOM 0 H PHE A 46 4.688 5.034 5.882 1.00 52.43 H new ATOM 0 HA PHE A 46 2.974 5.054 8.284 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.130 5.312 5.823 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.505 3.608 5.655 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.323 6.048 7.366 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.142 1.920 6.701 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.857 5.460 8.334 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.035 1.330 7.670 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.541 3.097 8.487 1.00 10.44 H new HETATM 781 N MLY A 47 3.684 2.927 9.199 1.00 21.12 N HETATM 782 CA MLY A 47 4.052 1.659 9.833 1.00 63.34 C HETATM 783 CB MLY A 47 4.900 1.917 11.084 1.00 43.31 C HETATM 784 CG MLY A 47 5.885 3.058 10.906 1.00 32.35 C HETATM 785 CD MLY A 47 6.883 3.155 12.033 1.00 72.20 C HETATM 786 CE MLY A 47 8.101 3.926 11.566 1.00 42.23 C HETATM 787 NZ MLY A 47 9.043 4.122 12.682 1.00 35.31 N HETATM 788 CH1 MLY A 47 9.064 5.543 13.068 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.392 3.713 12.264 1.00 74.45 C HETATM 790 C MLY A 47 2.794 0.884 10.208 1.00 63.22 C HETATM 791 O MLY A 47 1.865 1.451 10.789 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.381 2.661 11.979 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.708 4.316 11.413 1.00 74.45 H new HETATM 0 HH21 MLY A 47 11.088 3.858 13.090 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.381 6.146 12.217 1.00 43.20 H new HETATM 0 HH12 MLY A 47 8.066 5.850 13.379 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.761 5.686 13.894 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.419 2.926 9.965 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.336 3.997 10.832 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.593 3.386 10.757 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.796 4.893 11.165 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.431 3.653 12.891 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.175 2.157 12.361 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.241 2.140 11.923 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.446 1.009 11.340 1.00 43.31 H new HETATM 0 HA MLY A 47 4.639 1.070 9.128 1.00 63.34 H new HETATM 0 H MLY A 47 3.995 3.809 9.605 1.00 21.12 H new ATOM 808 N PHE A 48 2.772 -0.413 9.872 1.00 63.04 N ATOM 809 CA PHE A 48 1.617 -1.275 10.163 1.00 23.12 C ATOM 810 C PHE A 48 2.052 -2.722 10.433 1.00 45.43 C ATOM 811 O PHE A 48 3.182 -3.105 10.119 1.00 53.22 O ATOM 812 CB PHE A 48 0.596 -1.217 8.998 1.00 60.34 C ATOM 813 CG PHE A 48 1.093 -1.774 7.683 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.954 -1.043 6.875 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.695 -3.032 7.262 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.404 -1.560 5.675 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.141 -3.551 6.064 1.00 73.33 C ATOM 818 CZ PHE A 48 1.996 -2.815 5.270 1.00 3.21 C ATOM 0 H PHE A 48 3.540 -0.889 9.399 1.00 63.04 H new ATOM 0 HA PHE A 48 1.137 -0.902 11.068 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.299 -1.765 9.292 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.299 -0.179 8.847 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.275 -0.060 7.188 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.027 -3.614 7.879 1.00 64.54 H new ATOM 0 HE1 PHE A 48 3.074 -0.983 5.055 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.821 -4.533 5.748 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.346 -3.220 4.332 1.00 3.21 H new ATOM 828 N MET A 49 1.136 -3.514 11.002 1.00 33.23 N ATOM 829 CA MET A 49 1.395 -4.914 11.310 1.00 71.14 C ATOM 830 C MET A 49 0.592 -5.803 10.374 1.00 22.43 C ATOM 831 O MET A 49 -0.628 -5.649 10.250 1.00 41.24 O ATOM 832 CB MET A 49 1.041 -5.222 12.765 1.00 22.35 C ATOM 833 CG MET A 49 2.248 -5.484 13.644 1.00 60.11 C ATOM 834 SD MET A 49 1.802 -5.694 15.377 1.00 51.55 S ATOM 835 CE MET A 49 3.408 -6.022 16.089 1.00 63.41 C ATOM 0 H MET A 49 0.200 -3.199 11.259 1.00 33.23 H new ATOM 0 HA MET A 49 2.457 -5.112 11.169 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.477 -4.385 13.177 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.386 -6.093 12.794 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.763 -6.379 13.293 1.00 60.11 H new ATOM 0 HG3 MET A 49 2.950 -4.655 13.550 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.382 -6.972 16.623 1.00 63.41 H new ATOM 0 HE2 MET A 49 4.154 -6.072 15.296 1.00 63.41 H new ATOM 0 HE3 MET A 49 3.669 -5.222 16.782 1.00 63.41 H new ATOM 845 N LEU A 50 1.290 -6.729 9.716 1.00 22.40 N ATOM 846 CA LEU A 50 0.673 -7.651 8.766 1.00 23.24 C ATOM 847 C LEU A 50 0.036 -8.848 9.460 1.00 71.40 C ATOM 848 O LEU A 50 0.607 -9.416 10.396 1.00 63.44 O ATOM 849 CB LEU A 50 1.721 -8.111 7.760 1.00 74.22 C ATOM 850 CG LEU A 50 2.072 -7.068 6.705 1.00 62.03 C ATOM 851 CD1 LEU A 50 3.536 -7.149 6.340 1.00 23.44 C ATOM 852 CD2 LEU A 50 1.207 -7.234 5.470 1.00 72.11 C ATOM 0 H LEU A 50 2.295 -6.860 9.827 1.00 22.40 H new ATOM 0 HA LEU A 50 -0.128 -7.122 8.250 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.628 -8.388 8.297 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.360 -9.010 7.261 1.00 74.22 H new ATOM 0 HG LEU A 50 1.876 -6.083 7.128 1.00 62.03 H new ATOM 0 HD11 LEU A 50 3.765 -6.396 5.586 1.00 23.44 H new ATOM 0 HD12 LEU A 50 4.143 -6.970 7.228 1.00 23.44 H new ATOM 0 HD13 LEU A 50 3.758 -8.140 5.943 1.00 23.44 H new ATOM 0 HD21 LEU A 50 1.477 -6.478 4.732 1.00 72.11 H new ATOM 0 HD22 LEU A 50 1.364 -8.226 5.047 1.00 72.11 H new ATOM 0 HD23 LEU A 50 0.158 -7.117 5.742 1.00 72.11 H new ATOM 864 N GLY A 51 -1.155 -9.213 8.979 1.00 35.24 N ATOM 865 CA GLY A 51 -1.899 -10.330 9.545 1.00 71.31 C ATOM 866 C GLY A 51 -2.841 -9.907 10.666 1.00 50.01 C ATOM 867 O GLY A 51 -3.621 -10.724 11.163 1.00 31.34 O ATOM 0 H GLY A 51 -1.621 -8.749 8.199 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.475 -10.813 8.756 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.197 -11.071 9.927 1.00 71.31 H new HETATM 871 N MLY A 52 -2.762 -8.625 11.059 1.00 22.42 N HETATM 872 CA MLY A 52 -3.616 -8.070 12.119 1.00 50.33 C HETATM 873 CB MLY A 52 -2.861 -7.008 12.946 1.00 33.52 C HETATM 874 CG MLY A 52 -1.647 -7.520 13.728 1.00 64.24 C HETATM 875 CD MLY A 52 -2.020 -8.561 14.780 1.00 72.22 C HETATM 876 CE MLY A 52 -0.894 -8.774 15.782 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.089 -10.049 16.492 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.211 -9.796 17.936 1.00 11.24 C HETATM 879 CH2 MLY A 52 0.062 -10.932 16.247 1.00 42.22 C HETATM 880 C MLY A 52 -4.880 -7.449 11.524 1.00 12.24 C HETATM 881 O MLY A 52 -5.822 -7.119 12.252 1.00 14.32 O HETATM 0 HH23 MLY A 52 0.153 -11.124 15.178 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.972 -10.452 16.608 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -0.084 -11.875 16.773 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.303 -9.315 18.299 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -2.065 -9.145 18.120 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.355 -10.741 18.460 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.929 -7.954 13.032 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -1.152 -6.679 14.214 1.00 64.24 H new HETATM 0 HE3 MLY A 52 0.067 -8.778 15.267 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.870 -7.950 16.496 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -2.920 -8.242 15.306 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.255 -9.506 14.290 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.530 -6.217 12.273 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.560 -6.556 13.650 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.895 -8.892 12.778 1.00 50.33 H new HETATM 0 H MLY A 52 -1.803 -8.295 10.952 1.00 22.42 H new ATOM 898 N GLN A 53 -4.880 -7.293 10.183 1.00 64.22 N ATOM 899 CA GLN A 53 -6.010 -6.719 9.410 1.00 1.55 C ATOM 900 C GLN A 53 -6.191 -5.212 9.681 1.00 54.20 C ATOM 901 O GLN A 53 -7.307 -4.681 9.617 1.00 41.22 O ATOM 902 CB GLN A 53 -7.329 -7.487 9.666 1.00 51.25 C ATOM 903 CG GLN A 53 -7.286 -8.945 9.232 1.00 51.21 C ATOM 904 CD GLN A 53 -8.662 -9.581 9.186 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.339 -9.550 8.159 1.00 62.40 O ATOM 906 NE2 GLN A 53 -9.082 -10.163 10.304 1.00 1.32 N ATOM 0 H GLN A 53 -4.090 -7.564 9.598 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.755 -6.835 8.357 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.565 -7.441 10.729 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -8.139 -6.984 9.138 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.825 -9.013 8.247 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.653 -9.506 9.919 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.487 -10.165 11.133 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.999 -10.608 10.334 1.00 1.32 H new ATOM 915 N GLU A 54 -5.070 -4.528 9.958 1.00 41.31 N ATOM 916 CA GLU A 54 -5.070 -3.079 10.219 1.00 72.24 C ATOM 917 C GLU A 54 -5.139 -2.289 8.908 1.00 75.25 C ATOM 918 O GLU A 54 -5.715 -1.199 8.858 1.00 34.30 O ATOM 919 CB GLU A 54 -3.811 -2.669 11.000 1.00 53.34 C ATOM 920 CG GLU A 54 -3.782 -3.154 12.446 1.00 11.31 C ATOM 921 CD GLU A 54 -4.630 -2.301 13.376 1.00 20.35 C ATOM 922 OE1 GLU A 54 -5.827 -2.614 13.541 1.00 44.02 O ATOM 923 OE2 GLU A 54 -4.094 -1.323 13.937 1.00 15.22 O ATOM 0 H GLU A 54 -4.146 -4.958 10.007 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.952 -2.849 10.817 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.934 -3.057 10.482 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.731 -1.582 10.992 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.135 -4.185 12.485 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -2.752 -3.156 12.802 1.00 11.31 H new ATOM 930 N VAL A 55 -4.543 -2.864 7.859 1.00 22.22 N ATOM 931 CA VAL A 55 -4.524 -2.257 6.525 1.00 23.14 C ATOM 932 C VAL A 55 -5.484 -3.007 5.585 1.00 5.11 C ATOM 933 O VAL A 55 -6.214 -3.902 6.027 1.00 74.45 O ATOM 934 CB VAL A 55 -3.079 -2.204 5.926 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.229 -1.185 6.676 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.390 -3.574 5.932 1.00 43.13 C ATOM 0 H VAL A 55 -4.061 -3.762 7.911 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.864 -1.226 6.624 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.178 -1.897 4.885 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.227 -1.161 6.247 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.684 -0.198 6.591 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.167 -1.466 7.727 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.391 -3.481 5.506 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.315 -3.939 6.956 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.974 -4.277 5.338 1.00 43.13 H new ATOM 946 N ILE A 56 -5.482 -2.641 4.296 1.00 52.14 N ATOM 947 CA ILE A 56 -6.359 -3.277 3.301 1.00 1.25 C ATOM 948 C ILE A 56 -5.775 -4.599 2.785 1.00 22.44 C ATOM 949 O ILE A 56 -4.564 -4.824 2.867 1.00 40.42 O ATOM 950 CB ILE A 56 -6.692 -2.327 2.112 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.440 -1.587 1.586 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.762 -1.332 2.553 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.624 -0.929 0.227 1.00 34.03 C ATOM 0 H ILE A 56 -4.883 -1.908 3.917 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.292 -3.498 3.819 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.066 -2.931 1.286 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.153 -0.824 2.310 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.613 -2.295 1.524 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.000 -0.663 1.726 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.660 -1.872 2.853 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.391 -0.749 3.396 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.698 -0.433 -0.066 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.879 -1.688 -0.513 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.427 -0.194 0.284 1.00 34.03 H new ATOM 965 N ARG A 57 -6.656 -5.465 2.253 1.00 73.41 N ATOM 966 CA ARG A 57 -6.267 -6.788 1.731 1.00 3.13 C ATOM 967 C ARG A 57 -5.245 -6.683 0.591 1.00 73.31 C ATOM 968 O ARG A 57 -4.268 -7.437 0.559 1.00 3.15 O ATOM 969 CB ARG A 57 -7.512 -7.547 1.254 1.00 41.00 C ATOM 970 CG ARG A 57 -7.366 -9.061 1.306 1.00 54.31 C ATOM 971 CD ARG A 57 -8.688 -9.753 1.023 1.00 33.13 C ATOM 972 NE ARG A 57 -8.623 -11.194 1.290 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.665 -12.034 1.203 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.874 -11.599 0.854 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.492 -13.322 1.468 1.00 4.55 N ATOM 0 H ARG A 57 -7.654 -5.269 2.173 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.791 -7.336 2.545 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.363 -7.252 1.868 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.738 -7.248 0.231 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.622 -9.382 0.577 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.000 -9.360 2.288 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.470 -9.306 1.637 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.967 -9.590 -0.018 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.721 -11.585 1.561 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.020 -10.611 0.647 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.654 -12.254 0.793 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.571 -13.668 1.736 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.280 -13.966 1.404 1.00 4.55 H new ATOM 989 N GLY A 58 -5.483 -5.742 -0.334 1.00 75.12 N ATOM 990 CA GLY A 58 -4.576 -5.526 -1.463 1.00 3.21 C ATOM 991 C GLY A 58 -3.189 -5.041 -1.041 1.00 15.14 C ATOM 992 O GLY A 58 -2.236 -5.138 -1.820 1.00 21.04 O ATOM 0 H GLY A 58 -6.293 -5.122 -0.320 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.473 -6.457 -2.021 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.018 -4.795 -2.140 1.00 3.21 H new ATOM 996 N TRP A 59 -3.083 -4.519 0.196 1.00 34.52 N ATOM 997 CA TRP A 59 -1.809 -4.037 0.740 1.00 11.53 C ATOM 998 C TRP A 59 -0.997 -5.176 1.345 1.00 15.11 C ATOM 999 O TRP A 59 0.195 -5.294 1.074 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.029 -2.957 1.806 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.024 -1.537 1.284 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.293 -1.111 0.008 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.729 -0.350 2.040 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.191 0.255 -0.069 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.846 0.746 1.162 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.381 -0.106 3.374 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.629 2.057 1.575 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.165 1.196 3.781 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.291 2.263 2.884 1.00 20.34 C ATOM 0 H TRP A 59 -3.871 -4.422 0.836 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.255 -3.607 -0.094 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.982 -3.144 2.300 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.252 -3.053 2.565 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.549 -1.758 -0.818 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.347 0.814 -0.908 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.283 -0.923 4.074 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.724 2.883 0.886 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.895 1.394 4.808 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.118 3.270 3.233 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.655 -6.019 2.160 1.00 64.02 N ATOM 1021 CA GLU A 60 -0.987 -7.157 2.820 1.00 11.50 C ATOM 1022 C GLU A 60 -0.506 -8.192 1.797 1.00 31.21 C ATOM 1023 O GLU A 60 0.555 -8.799 1.972 1.00 2.33 O ATOM 1024 CB GLU A 60 -1.915 -7.834 3.845 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.544 -6.886 4.856 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.189 -7.616 6.018 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -4.349 -8.054 5.873 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -2.534 -7.749 7.072 1.00 23.02 O ATOM 0 H GLU A 60 -2.648 -5.935 2.378 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.120 -6.755 3.345 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.710 -8.351 3.309 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.347 -8.593 4.383 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.780 -6.208 5.237 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.294 -6.273 4.356 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.301 -8.380 0.735 1.00 13.22 N ATOM 1036 CA GLU A 61 -0.971 -9.322 -0.342 1.00 4.04 C ATOM 1037 C GLU A 61 -0.043 -8.686 -1.388 1.00 23.14 C ATOM 1038 O GLU A 61 0.684 -9.395 -2.087 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.251 -9.826 -1.025 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.069 -10.801 -0.181 1.00 33.24 C ATOM 1041 CD GLU A 61 -2.516 -12.216 -0.205 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -2.923 -12.997 -1.091 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -1.677 -12.540 0.661 1.00 21.23 O ATOM 0 H GLU A 61 -2.184 -7.888 0.599 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.446 -10.163 0.111 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.876 -8.969 -1.278 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -1.982 -10.312 -1.963 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -3.098 -10.446 0.849 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -4.097 -10.812 -0.543 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.079 -7.345 -1.479 1.00 2.32 N ATOM 1051 CA GLY A 62 0.749 -6.617 -2.439 1.00 34.53 C ATOM 1052 C GLY A 62 2.123 -6.241 -1.899 1.00 41.44 C ATOM 1053 O GLY A 62 3.129 -6.417 -2.592 1.00 71.54 O ATOM 0 H GLY A 62 -0.672 -6.751 -0.899 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.874 -7.227 -3.334 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.226 -5.710 -2.742 1.00 34.53 H new ATOM 1057 N VAL A 63 2.162 -5.723 -0.658 1.00 13.21 N ATOM 1058 CA VAL A 63 3.419 -5.310 -0.003 1.00 21.10 C ATOM 1059 C VAL A 63 4.345 -6.519 0.258 1.00 62.21 C ATOM 1060 O VAL A 63 5.565 -6.367 0.370 1.00 10.30 O ATOM 1061 CB VAL A 63 3.126 -4.536 1.326 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.767 -5.471 2.486 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.295 -3.633 1.704 1.00 1.13 C ATOM 0 H VAL A 63 1.331 -5.579 -0.084 1.00 13.21 H new ATOM 0 HA VAL A 63 3.940 -4.637 -0.684 1.00 21.10 H new ATOM 0 HB VAL A 63 2.252 -3.914 1.136 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.574 -4.881 3.382 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.876 -6.044 2.229 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.596 -6.154 2.673 1.00 73.30 H new ATOM 0 HG21 VAL A 63 4.064 -3.108 2.631 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.191 -4.237 1.843 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.466 -2.908 0.909 1.00 1.13 H new ATOM 1073 N ALA A 64 3.731 -7.705 0.347 1.00 31.45 N ATOM 1074 CA ALA A 64 4.451 -8.963 0.581 1.00 31.03 C ATOM 1075 C ALA A 64 5.162 -9.449 -0.688 1.00 33.41 C ATOM 1076 O ALA A 64 5.931 -10.415 -0.650 1.00 20.51 O ATOM 1077 CB ALA A 64 3.480 -10.025 1.077 1.00 31.20 C ATOM 0 H ALA A 64 2.721 -7.820 0.259 1.00 31.45 H new ATOM 0 HA ALA A 64 5.213 -8.782 1.339 1.00 31.03 H new ATOM 0 HB1 ALA A 64 4.018 -10.957 1.250 1.00 31.20 H new ATOM 0 HB2 ALA A 64 3.022 -9.692 2.008 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.704 -10.187 0.329 1.00 31.20 H new ATOM 1083 N GLN A 65 4.896 -8.758 -1.802 1.00 10.14 N ATOM 1084 CA GLN A 65 5.486 -9.093 -3.100 1.00 4.44 C ATOM 1085 C GLN A 65 6.756 -8.272 -3.364 1.00 1.34 C ATOM 1086 O GLN A 65 7.504 -8.566 -4.302 1.00 54.10 O ATOM 1087 CB GLN A 65 4.459 -8.856 -4.217 1.00 23.01 C ATOM 1088 CG GLN A 65 3.104 -9.518 -3.961 1.00 41.22 C ATOM 1089 CD GLN A 65 2.147 -9.439 -5.140 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.545 -9.572 -6.300 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.870 -9.211 -4.845 1.00 4.02 N ATOM 0 H GLN A 65 4.268 -7.954 -1.828 1.00 10.14 H new ATOM 0 HA GLN A 65 5.766 -10.146 -3.085 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.311 -7.783 -4.340 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.865 -9.232 -5.156 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.265 -10.565 -3.706 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.638 -9.047 -3.095 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.582 -9.107 -3.872 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.179 -9.140 -5.592 1.00 4.02 H new ATOM 1100 N MET A 66 6.989 -7.248 -2.529 1.00 51.30 N ATOM 1101 CA MET A 66 8.164 -6.379 -2.657 1.00 45.42 C ATOM 1102 C MET A 66 9.182 -6.676 -1.554 1.00 14.24 C ATOM 1103 O MET A 66 8.823 -7.190 -0.490 1.00 42.21 O ATOM 1104 CB MET A 66 7.784 -4.884 -2.613 1.00 54.20 C ATOM 1105 CG MET A 66 6.298 -4.574 -2.448 1.00 71.10 C ATOM 1106 SD MET A 66 5.863 -2.899 -2.979 1.00 71.25 S ATOM 1107 CE MET A 66 7.001 -1.897 -2.018 1.00 23.31 C ATOM 0 H MET A 66 6.373 -7.002 -1.754 1.00 51.30 H new ATOM 0 HA MET A 66 8.608 -6.591 -3.630 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.326 -4.416 -1.791 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.133 -4.414 -3.533 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.716 -5.294 -3.023 1.00 71.10 H new ATOM 0 HG3 MET A 66 6.020 -4.702 -1.402 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.866 -0.846 -2.274 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.804 -2.040 -0.956 1.00 23.31 H new ATOM 0 HE3 MET A 66 8.025 -2.196 -2.240 1.00 23.31 H new ATOM 1117 N SER A 67 10.449 -6.337 -1.820 1.00 4.44 N ATOM 1118 CA SER A 67 11.542 -6.557 -0.866 1.00 50.24 C ATOM 1119 C SER A 67 12.061 -5.223 -0.323 1.00 5.23 C ATOM 1120 O SER A 67 11.740 -4.167 -0.869 1.00 51.25 O ATOM 1121 CB SER A 67 12.678 -7.335 -1.543 1.00 21.11 C ATOM 1122 OG SER A 67 13.056 -6.727 -2.766 1.00 40.45 O ATOM 0 H SER A 67 10.744 -5.906 -2.696 1.00 4.44 H new ATOM 0 HA SER A 67 11.162 -7.142 -0.028 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.539 -7.382 -0.876 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.361 -8.361 -1.727 1.00 21.11 H new ATOM 0 HG SER A 67 12.779 -7.297 -3.514 1.00 40.45 H new ATOM 1128 N VAL A 68 12.877 -5.280 0.749 1.00 33.02 N ATOM 1129 CA VAL A 68 13.454 -4.076 1.385 1.00 53.10 C ATOM 1130 C VAL A 68 14.243 -3.233 0.366 1.00 12.43 C ATOM 1131 O VAL A 68 15.170 -3.729 -0.281 1.00 21.20 O ATOM 1132 CB VAL A 68 14.364 -4.457 2.597 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.168 -3.265 3.115 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.530 -5.041 3.731 1.00 13.21 C ATOM 0 H VAL A 68 13.154 -6.154 1.196 1.00 33.02 H new ATOM 0 HA VAL A 68 12.624 -3.475 1.757 1.00 53.10 H new ATOM 0 HB VAL A 68 15.070 -5.206 2.237 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.785 -3.580 3.957 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.808 -2.884 2.319 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.486 -2.479 3.439 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.181 -5.300 4.566 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.796 -4.305 4.059 1.00 13.21 H new ATOM 0 HG23 VAL A 68 13.016 -5.936 3.381 1.00 13.21 H new ATOM 1144 N GLY A 69 13.847 -1.961 0.241 1.00 54.02 N ATOM 1145 CA GLY A 69 14.492 -1.044 -0.690 1.00 71.34 C ATOM 1146 C GLY A 69 13.837 -1.027 -2.066 1.00 5.22 C ATOM 1147 O GLY A 69 14.321 -0.343 -2.972 1.00 23.21 O ATOM 0 H GLY A 69 13.082 -1.549 0.775 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.471 -0.038 -0.272 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.540 -1.323 -0.797 1.00 71.34 H new ATOM 1151 N GLN A 70 12.736 -1.781 -2.219 1.00 55.02 N ATOM 1152 CA GLN A 70 12.017 -1.861 -3.492 1.00 4.10 C ATOM 1153 C GLN A 70 10.857 -0.868 -3.539 1.00 65.14 C ATOM 1154 O GLN A 70 10.178 -0.636 -2.534 1.00 64.15 O ATOM 1155 CB GLN A 70 11.491 -3.285 -3.728 1.00 54.10 C ATOM 1156 CG GLN A 70 11.229 -3.608 -5.195 1.00 53.24 C ATOM 1157 CD GLN A 70 10.497 -4.920 -5.394 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.185 -4.841 -5.585 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.106 -5.990 -5.401 1.00 4.25 N flip ATOM 0 H GLN A 70 12.327 -2.343 -1.473 1.00 55.02 H new ATOM 0 HA GLN A 70 12.722 -1.604 -4.283 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.212 -3.999 -3.331 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.567 -3.419 -3.165 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.645 -2.802 -5.639 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.179 -3.645 -5.728 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.115 -6.004 -5.250 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.602 -6.863 -5.558 1.00 4.25 H new ATOM 1168 N ARG A 71 10.652 -0.294 -4.724 1.00 33.42 N ATOM 1169 CA ARG A 71 9.572 0.661 -4.962 1.00 34.40 C ATOM 1170 C ARG A 71 8.660 0.132 -6.076 1.00 60.34 C ATOM 1171 O ARG A 71 9.057 0.085 -7.246 1.00 3.51 O ATOM 1172 CB ARG A 71 10.153 2.037 -5.332 1.00 73.14 C ATOM 1173 CG ARG A 71 9.197 3.206 -5.107 1.00 14.30 C ATOM 1174 CD ARG A 71 8.975 3.990 -6.390 1.00 71.52 C ATOM 1175 NE ARG A 71 7.997 5.069 -6.213 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.976 6.206 -6.924 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.878 6.439 -7.877 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.043 7.115 -6.677 1.00 42.24 N ATOM 0 H ARG A 71 11.229 -0.478 -5.544 1.00 33.42 H new ATOM 0 HA ARG A 71 8.982 0.779 -4.053 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.057 2.205 -4.747 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.450 2.023 -6.381 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.242 2.832 -4.736 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.600 3.866 -4.339 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.923 4.411 -6.726 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.631 3.314 -7.173 1.00 71.52 H new ATOM 0 HE ARG A 71 7.281 4.946 -5.497 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.600 5.747 -8.076 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.846 7.310 -8.407 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.347 6.947 -5.950 1.00 42.24 H new ATOM 0 HH22 ARG A 71 7.021 7.982 -7.214 1.00 42.24 H new ATOM 1192 N ALA A 72 7.445 -0.278 -5.695 1.00 5.10 N ATOM 1193 CA ALA A 72 6.475 -0.822 -6.648 1.00 53.23 C ATOM 1194 C ALA A 72 5.091 -0.193 -6.476 1.00 61.04 C ATOM 1195 O ALA A 72 4.762 0.311 -5.397 1.00 32.53 O ATOM 1196 CB ALA A 72 6.391 -2.337 -6.498 1.00 53.11 C ATOM 0 H ALA A 72 7.111 -0.243 -4.732 1.00 5.10 H new ATOM 0 HA ALA A 72 6.822 -0.576 -7.652 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.667 -2.734 -7.210 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.369 -2.777 -6.692 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.076 -2.585 -5.485 1.00 53.11 H new HETATM 1202 N MLY A 73 4.288 -0.229 -7.551 1.00 72.40 N HETATM 1203 CA MLY A 73 2.934 0.325 -7.537 1.00 10.44 C HETATM 1204 CB MLY A 73 2.695 1.161 -8.798 1.00 42.22 C HETATM 1205 CG MLY A 73 1.880 2.427 -8.554 1.00 32.23 C HETATM 1206 CD MLY A 73 1.429 3.078 -9.860 1.00 43.41 C HETATM 1207 CE MLY A 73 2.366 4.204 -10.290 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.015 5.450 -9.587 1.00 24.53 N HETATM 1209 CH1 MLY A 73 1.567 6.459 -10.562 1.00 62.33 C HETATM 1210 CH2 MLY A 73 3.194 5.958 -8.870 1.00 20.10 C HETATM 1211 C MLY A 73 1.900 -0.795 -7.442 1.00 30.22 C HETATM 1212 O MLY A 73 1.892 -1.711 -8.270 1.00 52.40 O HETATM 0 HH23 MLY A 73 3.528 5.215 -8.146 1.00 20.10 H new HETATM 0 HH22 MLY A 73 3.995 6.156 -9.582 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.934 6.880 -8.350 1.00 20.10 H new HETATM 0 HH13 MLY A 73 2.368 6.659 -11.273 1.00 62.33 H new HETATM 0 HH12 MLY A 73 0.693 6.086 -11.096 1.00 62.33 H new HETATM 0 HH11 MLY A 73 1.308 7.380 -10.040 1.00 62.33 H new HETATM 0 HG3 MLY A 73 1.006 2.185 -7.949 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.477 3.138 -7.982 1.00 32.23 H new HETATM 0 HE3 MLY A 73 3.399 3.932 -10.071 1.00 12.10 H new HETATM 0 HE2 MLY A 73 2.297 4.353 -11.368 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.385 2.323 -10.645 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.420 3.472 -9.739 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.658 1.438 -9.227 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.181 0.547 -9.538 1.00 42.22 H new HETATM 0 HA MLY A 73 2.829 0.967 -6.663 1.00 10.44 H new HETATM 0 H MLY A 73 4.912 -0.031 -8.333 1.00 72.40 H new ATOM 1229 N LEU A 74 1.032 -0.712 -6.429 1.00 74.52 N ATOM 1230 CA LEU A 74 -0.008 -1.724 -6.211 1.00 74.33 C ATOM 1231 C LEU A 74 -1.373 -1.205 -6.650 1.00 30.42 C ATOM 1232 O LEU A 74 -1.739 -0.065 -6.348 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.089 -2.152 -4.731 1.00 54.31 C ATOM 1234 CG LEU A 74 1.169 -1.925 -3.886 1.00 51.21 C ATOM 1235 CD1 LEU A 74 1.055 -0.604 -3.141 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.388 -3.082 -2.915 1.00 45.42 C ATOM 0 H LEU A 74 1.028 0.046 -5.746 1.00 74.52 H new ATOM 0 HA LEU A 74 0.267 -2.590 -6.813 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.915 -1.615 -4.265 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.338 -3.213 -4.695 1.00 54.31 H new ATOM 0 HG LEU A 74 2.035 -1.882 -4.547 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.951 -0.446 -2.541 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.950 0.210 -3.858 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.182 -0.628 -2.489 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.287 -2.898 -2.326 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.529 -3.166 -2.249 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.505 -4.010 -3.475 1.00 45.42 H new ATOM 1248 N THR A 75 -2.113 -2.055 -7.364 1.00 22.43 N ATOM 1249 CA THR A 75 -3.452 -1.723 -7.841 1.00 34.30 C ATOM 1250 C THR A 75 -4.491 -2.372 -6.926 1.00 11.12 C ATOM 1251 O THR A 75 -4.625 -3.599 -6.897 1.00 0.33 O ATOM 1252 CB THR A 75 -3.669 -2.193 -9.304 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.521 -1.869 -10.099 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.906 -1.546 -9.924 1.00 22.41 C ATOM 0 H THR A 75 -1.800 -2.990 -7.626 1.00 22.43 H new ATOM 0 HA THR A 75 -3.563 -0.639 -7.821 1.00 34.30 H new ATOM 0 HB THR A 75 -3.817 -3.273 -9.284 1.00 53.12 H new ATOM 0 HG1 THR A 75 -1.777 -2.457 -9.854 1.00 4.44 H new ATOM 0 HG21 THR A 75 -5.026 -1.899 -10.948 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.788 -1.815 -9.342 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.788 -0.462 -9.925 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.211 -1.537 -6.179 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.231 -2.021 -5.252 1.00 1.42 C ATOM 1264 C ILE A 76 -7.623 -1.812 -5.844 1.00 60.35 C ATOM 1265 O ILE A 76 -7.950 -0.724 -6.321 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.138 -1.326 -3.852 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.657 -1.127 -3.403 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -6.936 -2.105 -2.795 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.856 -2.399 -3.129 1.00 11.52 C ATOM 0 H ILE A 76 -5.107 -0.523 -6.198 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.051 -3.086 -5.102 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.583 -0.336 -3.950 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.139 -0.556 -4.174 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.652 -0.518 -2.499 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.854 -1.600 -1.832 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -7.984 -2.152 -3.092 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.537 -3.116 -2.710 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.844 -2.133 -2.825 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.337 -2.967 -2.333 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.816 -3.006 -4.034 1.00 11.52 H new ATOM 1281 N SER A 77 -8.425 -2.876 -5.803 1.00 11.11 N ATOM 1282 CA SER A 77 -9.791 -2.853 -6.324 1.00 42.11 C ATOM 1283 C SER A 77 -10.802 -2.564 -5.206 1.00 43.15 C ATOM 1284 O SER A 77 -10.472 -2.725 -4.030 1.00 74.23 O ATOM 1285 CB SER A 77 -10.125 -4.190 -7.010 1.00 53.42 C ATOM 1286 OG SER A 77 -9.358 -5.260 -6.480 1.00 32.12 O ATOM 0 H SER A 77 -8.147 -3.775 -5.409 1.00 11.11 H new ATOM 0 HA SER A 77 -9.858 -2.052 -7.060 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.186 -4.407 -6.886 1.00 53.42 H new ATOM 0 HB3 SER A 77 -9.940 -4.105 -8.081 1.00 53.42 H new ATOM 0 HG SER A 77 -8.445 -5.214 -6.833 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.059 -2.128 -5.547 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.101 -1.827 -4.538 1.00 50.11 C ATOM 1294 C PRO A 78 -13.489 -3.045 -3.686 1.00 62.43 C ATOM 1295 O PRO A 78 -14.098 -2.895 -2.627 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.303 -1.353 -5.367 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.043 -1.812 -6.763 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.555 -1.884 -6.922 1.00 55.53 C ATOM 0 HA PRO A 78 -12.744 -1.088 -3.821 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.232 -1.774 -4.984 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.404 -0.268 -5.325 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.499 -2.786 -6.941 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.476 -1.120 -7.485 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.264 -2.687 -7.600 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.152 -0.958 -7.333 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.134 -4.242 -4.172 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.411 -5.495 -3.472 1.00 63.51 C ATOM 1308 C ASP A 79 -12.277 -5.852 -2.503 1.00 41.14 C ATOM 1309 O ASP A 79 -12.502 -6.537 -1.501 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.609 -6.617 -4.488 1.00 74.51 C ATOM 1311 CG ASP A 79 -15.057 -6.766 -4.914 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.791 -7.537 -4.262 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.456 -6.110 -5.899 1.00 45.33 O ATOM 0 H ASP A 79 -12.648 -4.365 -5.060 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.322 -5.369 -2.887 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -12.994 -6.420 -5.366 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.261 -7.557 -4.059 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.063 -5.379 -2.819 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.877 -5.625 -1.988 1.00 53.15 C ATOM 1320 C TYR A 80 -9.579 -4.434 -1.076 1.00 65.53 C ATOM 1321 O TYR A 80 -8.861 -4.573 -0.081 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.652 -5.911 -2.867 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.403 -7.384 -3.127 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -9.259 -8.129 -3.933 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -7.308 -8.030 -2.563 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -9.033 -9.470 -4.165 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -7.076 -9.372 -2.794 1.00 30.14 C ATOM 1328 CZ TYR A 80 -7.942 -10.088 -3.594 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.714 -11.425 -3.824 1.00 73.03 O ATOM 0 H TYR A 80 -10.877 -4.819 -3.651 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.090 -6.495 -1.367 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.777 -5.401 -3.822 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.770 -5.483 -2.391 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -10.115 -7.649 -4.384 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -6.628 -7.474 -1.935 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -9.709 -10.033 -4.792 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -6.220 -9.859 -2.350 1.00 30.14 H new ATOM 0 HH TYR A 80 -6.904 -11.705 -3.350 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.137 -3.266 -1.427 1.00 54.11 N ATOM 1340 CA ALA A 81 -9.930 -2.033 -0.667 1.00 1.04 C ATOM 1341 C ALA A 81 -10.916 -1.887 0.500 1.00 31.52 C ATOM 1342 O ALA A 81 -10.498 -1.814 1.656 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.020 -0.831 -1.600 1.00 23.45 C ATOM 0 H ALA A 81 -10.740 -3.154 -2.242 1.00 54.11 H new ATOM 0 HA ALA A 81 -8.933 -2.081 -0.228 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.865 0.085 -1.030 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.255 -0.911 -2.372 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.005 -0.806 -2.067 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.220 -1.853 0.199 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.239 -1.689 1.239 1.00 21.22 C ATOM 1351 C TYR A 82 -14.338 -2.749 1.127 1.00 64.31 C ATOM 1352 O TYR A 82 -14.673 -3.399 2.123 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.826 -0.270 1.178 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.811 0.823 1.478 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -12.701 1.361 2.754 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -11.959 1.310 0.487 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -11.777 2.350 3.037 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.032 2.300 0.764 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.946 2.816 2.039 1.00 74.23 C ATOM 1360 OH TYR A 82 -10.026 3.800 2.320 1.00 54.35 O ATOM 0 H TYR A 82 -12.591 -1.936 -0.748 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.762 -1.829 2.209 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.246 -0.102 0.186 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.649 -0.195 1.889 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -13.349 1.000 3.539 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -12.024 0.908 -0.513 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -11.706 2.756 4.035 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -10.380 2.666 -0.015 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.519 4.015 1.509 1.00 54.35 H new ATOM 1370 N GLY A 83 -14.892 -2.920 -0.080 1.00 3.43 N ATOM 1371 CA GLY A 83 -15.932 -3.916 -0.299 1.00 10.01 C ATOM 1372 C GLY A 83 -17.165 -3.364 -0.990 1.00 71.34 C ATOM 1373 O GLY A 83 -18.276 -3.487 -0.469 1.00 23.23 O ATOM 0 H GLY A 83 -14.636 -2.384 -0.909 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.524 -4.730 -0.898 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.224 -4.342 0.661 1.00 10.01 H new ATOM 1377 N ALA A 84 -16.964 -2.750 -2.177 1.00 25.11 N ATOM 1378 CA ALA A 84 -18.053 -2.164 -3.007 1.00 33.53 C ATOM 1379 C ALA A 84 -18.778 -0.980 -2.341 1.00 20.43 C ATOM 1380 O ALA A 84 -19.532 -0.264 -3.009 1.00 51.55 O ATOM 1381 CB ALA A 84 -19.065 -3.232 -3.428 1.00 43.40 C ATOM 0 H ALA A 84 -16.039 -2.644 -2.593 1.00 25.11 H new ATOM 0 HA ALA A 84 -17.557 -1.765 -3.892 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -19.848 -2.774 -4.033 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -18.560 -4.002 -4.011 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -19.509 -3.682 -2.540 1.00 43.40 H new ATOM 1387 N THR A 85 -18.546 -0.777 -1.040 1.00 42.23 N ATOM 1388 CA THR A 85 -19.175 0.315 -0.300 1.00 52.23 C ATOM 1389 C THR A 85 -18.212 1.504 -0.187 1.00 53.03 C ATOM 1390 O THR A 85 -18.519 2.602 -0.662 1.00 62.14 O ATOM 1391 CB THR A 85 -19.625 -0.148 1.112 1.00 63.55 C ATOM 1392 OG1 THR A 85 -20.116 -1.495 1.056 1.00 4.10 O ATOM 1393 CG2 THR A 85 -20.720 0.755 1.678 1.00 23.54 C ATOM 0 H THR A 85 -17.924 -1.359 -0.478 1.00 42.23 H new ATOM 0 HA THR A 85 -20.062 0.627 -0.851 1.00 52.23 H new ATOM 0 HB THR A 85 -18.755 -0.092 1.766 1.00 63.55 H new ATOM 0 HG1 THR A 85 -20.396 -1.779 1.951 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.009 0.400 2.667 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.346 1.776 1.754 1.00 23.54 H new ATOM 0 HG23 THR A 85 -21.587 0.734 1.017 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.048 1.271 0.445 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.037 2.315 0.612 1.00 62.01 C ATOM 1403 C GLY A 86 -16.461 3.430 1.556 1.00 41.14 C ATOM 1404 O GLY A 86 -17.526 3.357 2.177 1.00 62.55 O ATOM 0 H GLY A 86 -16.790 0.369 0.846 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.119 1.863 0.987 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -15.806 2.744 -0.363 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.614 4.459 1.654 1.00 12.34 N ATOM 1409 CA HIS A 87 -15.878 5.616 2.506 1.00 52.22 C ATOM 1410 C HIS A 87 -16.557 6.728 1.685 1.00 53.50 C ATOM 1411 O HIS A 87 -16.047 7.098 0.624 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.567 6.124 3.121 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.750 6.937 4.370 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.504 6.461 5.639 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.160 8.222 4.525 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.768 7.448 6.506 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -15.168 8.539 5.880 1.00 2.31 N ATOM 0 H HIS A 87 -14.731 4.511 1.146 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.548 5.321 3.313 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -13.929 5.269 3.347 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.041 6.728 2.381 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.436 8.892 3.724 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.667 7.362 7.578 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.429 9.430 6.302 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.715 7.288 2.158 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.441 8.343 1.419 1.00 44.10 C ATOM 1427 C PRO A 88 -17.685 9.677 1.352 1.00 24.12 C ATOM 1428 O PRO A 88 -17.322 10.251 2.386 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.755 8.496 2.201 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.457 8.005 3.578 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.403 6.941 3.430 1.00 31.53 C ATOM 0 HA PRO A 88 -18.580 8.067 0.374 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.084 9.535 2.217 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.555 7.916 1.742 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.102 8.818 4.212 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.353 7.601 4.049 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.711 6.946 4.272 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.845 5.945 3.386 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.448 10.145 0.122 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.749 11.403 -0.088 1.00 34.40 C ATOM 1441 C GLY A 89 -15.358 11.227 -0.673 1.00 12.22 C ATOM 1442 O GLY A 89 -14.993 11.927 -1.622 1.00 23.13 O ATOM 0 H GLY A 89 -17.731 9.669 -0.735 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.339 12.032 -0.755 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.672 11.931 0.863 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.585 10.293 -0.106 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.214 10.038 -0.564 1.00 12.54 C ATOM 1448 C ILE A 90 -13.140 8.785 -1.451 1.00 61.23 C ATOM 1449 O ILE A 90 -12.605 8.842 -2.562 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.216 9.894 0.626 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.501 10.950 1.708 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.770 10.026 0.137 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.174 10.490 3.113 1.00 60.20 C ATOM 0 H ILE A 90 -14.885 9.702 0.669 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.923 10.907 -1.154 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.352 8.903 1.060 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.924 11.848 1.487 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.554 11.228 1.663 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.089 9.923 0.982 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.561 9.246 -0.595 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.630 11.004 -0.324 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.401 11.288 3.819 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.770 9.610 3.356 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.115 10.240 3.177 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.680 7.666 -0.953 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.652 6.397 -1.683 1.00 30.21 C ATOM 1467 C ILE A 91 -15.065 6.013 -2.175 1.00 51.24 C ATOM 1468 O ILE A 91 -15.866 5.478 -1.399 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.052 5.241 -0.808 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.706 5.650 -0.140 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.885 3.945 -1.615 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.569 6.034 -1.088 1.00 2.32 C ATOM 0 H ILE A 91 -14.142 7.616 -0.045 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.005 6.536 -2.549 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.771 5.052 -0.011 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -11.896 6.492 0.525 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.367 4.822 0.483 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.467 3.169 -0.974 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.856 3.622 -1.990 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.213 4.123 -2.455 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.685 6.299 -0.508 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.337 5.190 -1.738 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -10.874 6.887 -1.695 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.401 6.287 -3.473 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.717 5.936 -4.041 1.00 52.13 C ATOM 1486 C PRO A 92 -16.876 4.415 -4.280 1.00 22.44 C ATOM 1487 O PRO A 92 -15.879 3.687 -4.256 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.748 6.707 -5.368 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.323 6.873 -5.755 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.549 6.988 -4.469 1.00 13.45 C ATOM 0 HA PRO A 92 -17.534 6.194 -3.367 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.302 6.158 -6.130 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.239 7.673 -5.251 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -14.978 6.022 -6.342 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.188 7.762 -6.371 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.567 6.523 -4.551 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.387 8.030 -4.193 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.128 3.913 -4.516 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.375 2.475 -4.749 1.00 52.41 C ATOM 1500 C PRO A 93 -17.954 2.006 -6.147 1.00 70.11 C ATOM 1501 O PRO A 93 -18.048 2.763 -7.117 1.00 21.32 O ATOM 1502 CB PRO A 93 -19.893 2.347 -4.576 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.445 3.688 -4.932 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.388 4.698 -4.564 1.00 73.21 C ATOM 0 HA PRO A 93 -17.792 1.855 -4.068 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.299 1.570 -5.224 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.151 2.075 -3.552 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.679 3.741 -5.995 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.372 3.882 -4.392 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.330 5.499 -5.301 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.602 5.165 -3.603 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.491 0.740 -6.232 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.045 0.110 -7.501 1.00 45.34 C ATOM 1514 C HIS A 94 -15.943 0.935 -8.200 1.00 60.20 C ATOM 1515 O HIS A 94 -15.897 1.027 -9.435 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.244 -0.124 -8.448 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.291 -1.033 -7.879 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.202 -2.407 -7.887 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.464 -0.737 -7.263 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.298 -2.893 -7.289 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.096 -1.920 -6.892 1.00 70.34 N ATOM 0 H HIS A 94 -17.415 0.123 -5.424 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.611 -0.857 -7.248 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.700 0.837 -8.687 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -17.879 -0.545 -9.385 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -20.846 0.258 -7.089 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.502 -3.944 -7.150 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -21.991 -2.015 -6.412 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.046 1.511 -7.390 1.00 4.51 N ATOM 1530 CA ALA A 95 -13.953 2.337 -7.895 1.00 71.05 C ATOM 1531 C ALA A 95 -12.593 1.748 -7.545 1.00 4.34 C ATOM 1532 O ALA A 95 -12.320 1.417 -6.388 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.075 3.753 -7.352 1.00 13.05 C ATOM 0 H ALA A 95 -15.060 1.416 -6.375 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.028 2.362 -8.982 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.255 4.361 -7.734 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.025 4.184 -7.669 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.032 3.730 -6.263 1.00 13.05 H new ATOM 1539 N THR A 96 -11.753 1.625 -8.576 1.00 34.22 N ATOM 1540 CA THR A 96 -10.393 1.093 -8.448 1.00 13.14 C ATOM 1541 C THR A 96 -9.421 2.192 -7.995 1.00 22.22 C ATOM 1542 O THR A 96 -9.457 3.315 -8.506 1.00 73.11 O ATOM 1543 CB THR A 96 -9.922 0.486 -9.795 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.965 -0.322 -10.355 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.667 -0.371 -9.632 1.00 64.35 C ATOM 0 H THR A 96 -11.999 1.893 -9.529 1.00 34.22 H new ATOM 0 HA THR A 96 -10.403 0.307 -7.692 1.00 13.14 H new ATOM 0 HB THR A 96 -9.683 1.318 -10.458 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.359 0.140 -11.124 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.374 -0.775 -10.601 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.858 0.241 -9.234 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.873 -1.191 -8.944 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.563 1.843 -7.033 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.583 2.773 -6.472 1.00 52.44 C ATOM 1555 C LEU A 97 -6.156 2.372 -6.858 1.00 25.12 C ATOM 1556 O LEU A 97 -5.897 1.211 -7.191 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.724 2.809 -4.942 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.155 2.994 -4.411 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.335 2.258 -3.094 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.488 4.470 -4.248 1.00 45.25 C ATOM 0 H LEU A 97 -8.529 0.910 -6.623 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.776 3.765 -6.881 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.322 1.881 -4.536 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.105 3.619 -4.557 1.00 65.44 H new ATOM 0 HG LEU A 97 -9.844 2.570 -5.141 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.354 2.401 -2.734 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.148 1.195 -3.243 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.632 2.650 -2.359 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.506 4.574 -3.871 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.792 4.924 -3.543 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.406 4.970 -5.213 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.239 3.346 -6.807 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.827 3.125 -7.147 1.00 60.04 C ATOM 1574 C VAL A 98 -2.931 3.640 -6.012 1.00 55.00 C ATOM 1575 O VAL A 98 -2.888 4.843 -5.743 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.447 3.824 -8.495 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.989 3.572 -8.885 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.367 3.371 -9.626 1.00 72.32 C ATOM 0 H VAL A 98 -5.453 4.304 -6.531 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.672 2.053 -7.273 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.574 4.895 -8.336 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.772 4.076 -9.827 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.332 3.959 -8.106 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.823 2.501 -9.001 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -4.081 3.872 -10.551 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.280 2.292 -9.756 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.398 3.625 -9.380 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.221 2.716 -5.357 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.324 3.060 -4.252 1.00 43.43 C ATOM 1590 C PHE A 99 0.122 2.721 -4.595 1.00 54.24 C ATOM 1591 O PHE A 99 0.401 1.650 -5.141 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.723 2.310 -2.979 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.017 2.766 -2.365 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -4.220 2.223 -2.779 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -3.027 3.724 -1.365 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -5.411 2.624 -2.208 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -4.216 4.133 -0.791 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.410 3.581 -1.213 1.00 42.42 C ATOM 0 H PHE A 99 -2.251 1.720 -5.575 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.409 4.134 -4.084 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.799 1.247 -3.208 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.927 2.421 -2.243 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -4.227 1.476 -3.559 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -2.096 4.156 -1.030 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -6.343 2.190 -2.539 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -4.212 4.883 -0.014 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.341 3.897 -0.766 1.00 42.42 H new ATOM 1608 N ASP A 100 1.030 3.644 -4.271 1.00 61.54 N ATOM 1609 CA ASP A 100 2.457 3.453 -4.523 1.00 40.34 C ATOM 1610 C ASP A 100 3.229 3.424 -3.199 1.00 51.50 C ATOM 1611 O ASP A 100 3.428 4.465 -2.562 1.00 33.42 O ATOM 1612 CB ASP A 100 2.985 4.565 -5.448 1.00 33.13 C ATOM 1613 CG ASP A 100 4.324 4.225 -6.085 1.00 31.24 C ATOM 1614 OD1 ASP A 100 5.368 4.541 -5.476 1.00 54.54 O ATOM 1615 OD2 ASP A 100 4.327 3.642 -7.189 1.00 62.02 O ATOM 0 H ASP A 100 0.799 4.535 -3.831 1.00 61.54 H new ATOM 0 HA ASP A 100 2.606 2.496 -5.023 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.253 4.754 -6.233 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.085 5.488 -4.877 1.00 33.13 H new ATOM 1620 N VAL A 101 3.642 2.220 -2.785 1.00 2.04 N ATOM 1621 CA VAL A 101 4.396 2.051 -1.540 1.00 60.42 C ATOM 1622 C VAL A 101 5.870 1.777 -1.827 1.00 12.12 C ATOM 1623 O VAL A 101 6.219 1.235 -2.882 1.00 50.32 O ATOM 1624 CB VAL A 101 3.818 0.928 -0.615 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.361 1.204 -0.257 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.953 -0.469 -1.228 1.00 41.23 C ATOM 0 H VAL A 101 3.467 1.353 -3.292 1.00 2.04 H new ATOM 0 HA VAL A 101 4.297 2.993 -1.001 1.00 60.42 H new ATOM 0 HB VAL A 101 4.417 0.945 0.295 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.987 0.407 0.386 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.289 2.157 0.267 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.764 1.245 -1.168 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.536 -1.208 -0.544 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.413 -0.505 -2.174 1.00 41.23 H new ATOM 0 HG23 VAL A 101 5.006 -0.689 -1.403 1.00 41.23 H new ATOM 1636 N GLU A 102 6.719 2.156 -0.877 1.00 33.11 N ATOM 1637 CA GLU A 102 8.161 1.950 -0.993 1.00 1.22 C ATOM 1638 C GLU A 102 8.696 1.272 0.264 1.00 51.22 C ATOM 1639 O GLU A 102 8.501 1.770 1.376 1.00 12.21 O ATOM 1640 CB GLU A 102 8.905 3.277 -1.269 1.00 41.11 C ATOM 1641 CG GLU A 102 8.577 4.424 -0.313 1.00 34.12 C ATOM 1642 CD GLU A 102 9.351 5.688 -0.630 1.00 72.23 C ATOM 1643 OE1 GLU A 102 8.844 6.513 -1.419 1.00 62.13 O ATOM 1644 OE2 GLU A 102 10.466 5.853 -0.091 1.00 41.33 O ATOM 0 H GLU A 102 6.431 2.611 -0.011 1.00 33.11 H new ATOM 0 HA GLU A 102 8.343 1.297 -1.847 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.978 3.088 -1.228 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.677 3.597 -2.286 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.509 4.636 -0.359 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.797 4.114 0.709 1.00 34.12 H new ATOM 1651 N LEU A 103 9.386 0.144 0.066 1.00 24.24 N ATOM 1652 CA LEU A 103 9.958 -0.641 1.164 1.00 4.34 C ATOM 1653 C LEU A 103 11.182 0.076 1.760 1.00 3.51 C ATOM 1654 O LEU A 103 12.272 0.056 1.177 1.00 64.00 O ATOM 1655 CB LEU A 103 10.359 -2.036 0.629 1.00 3.14 C ATOM 1656 CG LEU A 103 9.902 -3.296 1.413 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.339 -3.271 2.874 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.395 -3.504 1.307 1.00 21.32 C ATOM 0 H LEU A 103 9.563 -0.250 -0.858 1.00 24.24 H new ATOM 0 HA LEU A 103 9.216 -0.752 1.954 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.976 -2.123 -0.388 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.447 -2.064 0.563 1.00 3.14 H new ATOM 0 HG LEU A 103 10.401 -4.143 0.943 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.992 -4.176 3.373 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.427 -3.221 2.928 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.911 -2.398 3.367 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.110 -4.395 1.867 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.878 -2.636 1.717 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.118 -3.630 0.260 1.00 21.32 H new ATOM 1670 N LEU A 104 10.979 0.737 2.908 1.00 4.14 N ATOM 1671 CA LEU A 104 12.049 1.478 3.580 1.00 44.13 C ATOM 1672 C LEU A 104 12.808 0.589 4.570 1.00 0.54 C ATOM 1673 O LEU A 104 14.027 0.432 4.455 1.00 14.41 O ATOM 1674 CB LEU A 104 11.468 2.716 4.293 1.00 71.51 C ATOM 1675 CG LEU A 104 10.543 3.603 3.438 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.586 4.390 4.317 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.354 4.549 2.561 1.00 62.23 C ATOM 0 H LEU A 104 10.080 0.772 3.390 1.00 4.14 H new ATOM 0 HA LEU A 104 12.761 1.808 2.824 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.913 2.381 5.169 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.295 3.327 4.654 1.00 71.51 H new ATOM 0 HG LEU A 104 9.959 2.949 2.790 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.943 5.009 3.691 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.973 3.700 4.896 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.155 5.027 4.995 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.678 5.164 1.967 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.970 5.191 3.191 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.995 3.970 1.897 1.00 62.23 H new HETATM 1689 N MLY A 105 12.079 0.011 5.542 1.00 1.45 N HETATM 1690 CA MLY A 105 12.668 -0.868 6.567 1.00 43.20 C HETATM 1691 CB MLY A 105 13.543 -0.059 7.562 1.00 74.32 C HETATM 1692 CG MLY A 105 12.801 1.018 8.357 1.00 22.12 C HETATM 1693 CD MLY A 105 13.757 2.026 8.989 1.00 71.52 C HETATM 1694 CE MLY A 105 13.906 1.792 10.487 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.852 2.768 11.055 1.00 24.33 N HETATM 1696 CH1 MLY A 105 15.988 2.057 11.663 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.173 3.573 12.083 1.00 22.51 C HETATM 1698 C MLY A 105 11.574 -1.660 7.303 1.00 74.02 C HETATM 1699 O MLY A 105 10.380 -1.405 7.117 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.333 4.102 11.634 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.808 2.919 12.875 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.874 4.294 12.502 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.625 1.401 12.454 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.494 1.462 10.903 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.687 2.780 12.083 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.107 1.541 7.699 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.205 0.546 9.138 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.937 1.885 10.977 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.261 0.778 10.672 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.733 1.953 8.510 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.390 3.037 8.812 1.00 71.52 H new HETATM 0 HB3 MLY A 105 14.003 -0.754 8.264 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.352 0.415 7.007 1.00 74.32 H new HETATM 0 HA MLY A 105 13.318 -1.584 6.064 1.00 43.20 H new ATOM 1716 N LEU A 106 12.001 -2.615 8.136 1.00 51.44 N ATOM 1717 CA LEU A 106 11.078 -3.453 8.909 1.00 50.34 C ATOM 1718 C LEU A 106 11.398 -3.374 10.398 1.00 15.14 C ATOM 1719 O LEU A 106 12.567 -3.255 10.780 1.00 24.35 O ATOM 1720 CB LEU A 106 11.146 -4.918 8.440 1.00 64.41 C ATOM 1721 CG LEU A 106 11.022 -5.153 6.924 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.599 -6.509 6.550 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.570 -5.056 6.469 1.00 3.23 C ATOM 0 H LEU A 106 12.986 -2.828 8.293 1.00 51.44 H new ATOM 0 HA LEU A 106 10.068 -3.078 8.743 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.092 -5.342 8.776 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.353 -5.475 8.939 1.00 64.41 H new ATOM 0 HG LEU A 106 11.590 -4.374 6.416 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.504 -6.661 5.475 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.652 -6.546 6.830 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.055 -7.293 7.077 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.513 -5.226 5.394 1.00 3.23 H new ATOM 0 HD22 LEU A 106 8.975 -5.808 6.987 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.182 -4.064 6.700 1.00 3.23 H new ATOM 1735 N GLU A 107 10.354 -3.442 11.233 1.00 12.24 N ATOM 1736 CA GLU A 107 10.521 -3.380 12.688 1.00 25.05 C ATOM 1737 C GLU A 107 9.857 -4.578 13.360 1.00 14.04 C ATOM 1738 O GLU A 107 10.104 -5.725 12.989 1.00 15.01 O ATOM 1739 CB GLU A 107 9.937 -2.079 13.254 1.00 65.53 C ATOM 1740 CG GLU A 107 10.675 -0.821 12.819 1.00 41.44 C ATOM 1741 CD GLU A 107 10.209 0.417 13.562 1.00 62.30 C ATOM 1742 OE1 GLU A 107 9.207 1.028 13.133 1.00 0.45 O ATOM 1743 OE2 GLU A 107 10.847 0.776 14.574 1.00 25.40 O ATOM 0 H GLU A 107 9.386 -3.540 10.925 1.00 12.24 H new ATOM 0 HA GLU A 107 11.590 -3.403 12.899 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.894 -1.999 12.947 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.946 -2.134 14.343 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.744 -0.957 12.982 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.532 -0.673 11.749 1.00 41.44 H new TER 1750 GLU A 107