USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 ASN : amide:sc=-0.00417 X(o=-1.3,f=-1.2) USER MOD Set 1.2: A 102 SER OG : rot 22:sc= -1.31! USER MOD Set 2.1: A 60 SER OG : rot -57:sc= 1.09 USER MOD Set 2.2: A 61 SER OG : rot 180:sc= -0.271 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0988 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.602 K(o=0.6,f=-0.051) USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00495) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.19) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -2.97! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -7.63! C(o=-8.3!,f=-7.6!) USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= 0.121 (180deg=-0.476) USER MOD Single : A 43 LYS NZ :NH3+ -146:sc= 0.614 (180deg=0.177) USER MOD Single : A 44 GLN : amide:sc= -4.91! C(o=-4.9!,f=-5!) USER MOD Single : A 45 CYS SG : rot -55:sc= 0.118 USER MOD Single : A 50 HIS : no HE2:sc= 0.359 K(o=0.36,f=-2.9!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.397 F(o=-2.4,f=-0.4) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc=-0.00826 X(o=-0.0083,f=-0.38) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0.0125 (180deg=0.0105) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 155:sc= -2.69 USER MOD Single : A 74 HIS : no HE2:sc= -18.7! C(o=-19!,f=-24!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -3.08! C(o=-3.1!,f=-3.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.28) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -16.6! C(o=-18!,f=-17!) USER MOD Single : A 101 ASN : amide:sc=-0.00776 X(o=-0.0078,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -154:sc= 0.762! (180deg=-0.251!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.350 39.583 3.761 1.00 0.00 N ATOM 2 CA GLY A 1 -28.288 38.269 4.378 1.00 0.00 C ATOM 3 C GLY A 1 -28.282 37.166 3.317 1.00 0.00 C ATOM 4 O GLY A 1 -28.229 37.450 2.122 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.479 40.109 3.977 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.445 39.479 2.731 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.170 40.103 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.390 38.193 4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.141 38.135 5.043 1.00 0.00 H new ATOM 8 N ILE A 2 -28.336 35.931 3.794 1.00 0.00 N ATOM 9 CA ILE A 2 -28.338 34.784 2.902 1.00 0.00 C ATOM 10 C ILE A 2 -28.893 33.566 3.643 1.00 0.00 C ATOM 11 O ILE A 2 -29.152 33.632 4.844 1.00 0.00 O ATOM 12 CB ILE A 2 -26.943 34.562 2.313 1.00 0.00 C ATOM 13 CG1 ILE A 2 -25.927 35.525 2.930 1.00 0.00 C ATOM 14 CG2 ILE A 2 -26.970 34.659 0.786 1.00 0.00 C ATOM 15 CD1 ILE A 2 -24.495 35.087 2.616 1.00 0.00 C ATOM 0 H ILE A 2 -28.379 35.700 4.787 1.00 0.00 H new ATOM 0 HA ILE A 2 -28.994 34.965 2.051 1.00 0.00 H new ATOM 0 HB ILE A 2 -26.623 33.551 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -26.095 36.531 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -26.070 35.567 4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -25.966 34.497 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -27.643 33.901 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -27.320 35.648 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -23.793 35.789 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -24.322 34.090 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -24.348 35.070 1.536 1.00 0.00 H new ATOM 27 N PRO A 3 -29.064 32.455 2.878 1.00 0.00 N ATOM 28 CA PRO A 3 -29.584 31.225 3.450 1.00 0.00 C ATOM 29 C PRO A 3 -28.521 30.521 4.295 1.00 0.00 C ATOM 30 O PRO A 3 -27.517 31.127 4.668 1.00 0.00 O ATOM 31 CB PRO A 3 -30.039 30.399 2.258 1.00 0.00 C ATOM 32 CG PRO A 3 -29.336 30.991 1.048 1.00 0.00 C ATOM 33 CD PRO A 3 -28.769 32.342 1.453 1.00 0.00 C ATOM 0 HA PRO A 3 -30.412 31.398 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -29.776 29.349 2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -31.122 30.445 2.142 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -28.540 30.329 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -30.034 31.103 0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -27.697 32.394 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -29.231 33.151 0.887 1.00 0.00 H new ATOM 41 N ASP A 4 -28.776 29.251 4.572 1.00 0.00 N ATOM 42 CA ASP A 4 -27.853 28.458 5.366 1.00 0.00 C ATOM 43 C ASP A 4 -26.566 28.233 4.570 1.00 0.00 C ATOM 44 O ASP A 4 -26.437 28.708 3.443 1.00 0.00 O ATOM 45 CB ASP A 4 -28.449 27.088 5.699 1.00 0.00 C ATOM 46 CG ASP A 4 -27.853 26.406 6.932 1.00 0.00 C ATOM 47 OD1 ASP A 4 -27.103 27.097 7.656 1.00 0.00 O ATOM 48 OD2 ASP A 4 -28.160 25.210 7.123 1.00 0.00 O ATOM 0 H ASP A 4 -29.609 28.751 4.261 1.00 0.00 H new ATOM 0 HA ASP A 4 -27.653 28.999 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -29.523 27.202 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -28.315 26.432 4.839 1.00 0.00 H new ATOM 53 N LEU A 5 -25.645 27.507 5.188 1.00 0.00 N ATOM 54 CA LEU A 5 -24.373 27.214 4.552 1.00 0.00 C ATOM 55 C LEU A 5 -23.498 28.469 4.566 1.00 0.00 C ATOM 56 O LEU A 5 -22.480 28.529 3.878 1.00 0.00 O ATOM 57 CB LEU A 5 -24.594 26.634 3.153 1.00 0.00 C ATOM 58 CG LEU A 5 -25.920 25.902 2.932 1.00 0.00 C ATOM 59 CD1 LEU A 5 -26.738 26.571 1.826 1.00 0.00 C ATOM 60 CD2 LEU A 5 -25.685 24.416 2.654 1.00 0.00 C ATOM 0 H LEU A 5 -25.755 27.113 6.123 1.00 0.00 H new ATOM 0 HA LEU A 5 -23.837 26.446 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -24.525 27.446 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -23.780 25.943 2.935 1.00 0.00 H new ATOM 0 HG LEU A 5 -26.505 25.969 3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -27.675 26.031 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -26.951 27.603 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -26.172 26.556 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -26.643 23.919 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -25.071 24.306 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -25.173 23.963 3.503 1.00 0.00 H new ATOM 72 N VAL A 6 -23.927 29.441 5.357 1.00 0.00 N ATOM 73 CA VAL A 6 -23.196 30.692 5.470 1.00 0.00 C ATOM 74 C VAL A 6 -22.557 30.781 6.858 1.00 0.00 C ATOM 75 O VAL A 6 -21.941 29.824 7.323 1.00 0.00 O ATOM 76 CB VAL A 6 -24.123 31.869 5.162 1.00 0.00 C ATOM 77 CG1 VAL A 6 -23.321 33.149 4.919 1.00 0.00 C ATOM 78 CG2 VAL A 6 -25.030 31.556 3.971 1.00 0.00 C ATOM 0 H VAL A 6 -24.772 29.388 5.926 1.00 0.00 H new ATOM 0 HA VAL A 6 -22.389 30.731 4.738 1.00 0.00 H new ATOM 0 HB VAL A 6 -24.758 32.032 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -24.004 33.971 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -22.738 33.387 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -22.649 33.003 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -25.679 32.409 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -24.419 31.354 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -25.640 30.682 4.198 1.00 0.00 H new ATOM 88 N LYS A 7 -22.727 31.938 7.479 1.00 0.00 N ATOM 89 CA LYS A 7 -22.175 32.165 8.804 1.00 0.00 C ATOM 90 C LYS A 7 -20.792 31.516 8.893 1.00 0.00 C ATOM 91 O LYS A 7 -20.367 31.097 9.968 1.00 0.00 O ATOM 92 CB LYS A 7 -23.150 31.684 9.880 1.00 0.00 C ATOM 93 CG LYS A 7 -23.634 32.851 10.743 1.00 0.00 C ATOM 94 CD LYS A 7 -24.936 33.437 10.193 1.00 0.00 C ATOM 95 CE LYS A 7 -26.152 32.782 10.849 1.00 0.00 C ATOM 96 NZ LYS A 7 -27.404 33.278 10.234 1.00 0.00 N ATOM 0 H LYS A 7 -23.239 32.729 7.089 1.00 0.00 H new ATOM 0 HA LYS A 7 -22.040 33.232 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.004 31.196 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -22.664 30.939 10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -23.788 32.511 11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -22.868 33.626 10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -24.958 34.512 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -24.978 33.290 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -26.091 31.699 10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -26.155 32.996 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -28.220 32.823 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -27.468 34.309 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -27.406 33.052 9.219 1.00 0.00 H new ATOM 110 N GLY A 8 -20.128 31.453 7.748 1.00 0.00 N ATOM 111 CA GLY A 8 -18.802 30.862 7.683 1.00 0.00 C ATOM 112 C GLY A 8 -18.761 29.718 6.668 1.00 0.00 C ATOM 113 O GLY A 8 -18.818 28.548 7.043 1.00 0.00 O ATOM 0 H GLY A 8 -20.484 31.802 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -18.073 31.624 7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -18.517 30.490 8.667 1.00 0.00 H new ATOM 117 N PRO A 9 -18.659 30.106 5.369 1.00 0.00 N ATOM 118 CA PRO A 9 -18.609 29.126 4.297 1.00 0.00 C ATOM 119 C PRO A 9 -17.239 28.447 4.238 1.00 0.00 C ATOM 120 O PRO A 9 -16.209 29.108 4.360 1.00 0.00 O ATOM 121 CB PRO A 9 -18.940 29.907 3.035 1.00 0.00 C ATOM 122 CG PRO A 9 -18.706 31.369 3.376 1.00 0.00 C ATOM 123 CD PRO A 9 -18.588 31.483 4.887 1.00 0.00 C ATOM 0 HA PRO A 9 -19.316 28.309 4.441 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.307 29.594 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.973 29.737 2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.799 31.733 2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -19.529 31.983 3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.650 31.956 5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.392 32.090 5.302 1.00 0.00 H new ATOM 131 N TRP A 10 -17.271 27.136 4.051 1.00 0.00 N ATOM 132 CA TRP A 10 -16.045 26.360 3.975 1.00 0.00 C ATOM 133 C TRP A 10 -15.612 26.303 2.509 1.00 0.00 C ATOM 134 O TRP A 10 -16.427 26.502 1.609 1.00 0.00 O ATOM 135 CB TRP A 10 -16.233 24.975 4.597 1.00 0.00 C ATOM 136 CG TRP A 10 -16.437 24.997 6.113 1.00 0.00 C ATOM 137 CD1 TRP A 10 -17.037 25.941 6.852 1.00 0.00 C ATOM 138 CD2 TRP A 10 -16.016 23.985 7.052 1.00 0.00 C ATOM 139 NE1 TRP A 10 -17.032 25.613 8.192 1.00 0.00 N ATOM 140 CE2 TRP A 10 -16.391 24.386 8.318 1.00 0.00 C ATOM 141 CE3 TRP A 10 -15.339 22.771 6.839 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -16.134 23.631 9.469 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -15.090 22.028 7.999 1.00 0.00 C ATOM 144 CH2 TRP A 10 -15.462 22.418 9.281 1.00 0.00 C ATOM 0 H TRP A 10 -18.127 26.591 3.950 1.00 0.00 H new ATOM 0 HA TRP A 10 -15.252 26.834 4.554 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -17.093 24.493 4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -15.361 24.363 4.367 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -17.470 26.845 6.449 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -17.426 26.169 8.951 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -15.035 22.438 5.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -16.438 23.967 10.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -14.573 21.086 7.891 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -15.233 21.788 10.128 1.00 0.00 H new ATOM 155 N THR A 11 -14.331 26.031 2.313 1.00 0.00 N ATOM 156 CA THR A 11 -13.780 25.945 0.972 1.00 0.00 C ATOM 157 C THR A 11 -12.655 24.909 0.922 1.00 0.00 C ATOM 158 O THR A 11 -12.509 24.102 1.839 1.00 0.00 O ATOM 159 CB THR A 11 -13.333 27.348 0.554 1.00 0.00 C ATOM 160 OG1 THR A 11 -12.185 27.601 1.359 1.00 0.00 O ATOM 161 CG2 THR A 11 -14.329 28.430 0.975 1.00 0.00 C ATOM 0 H THR A 11 -13.658 25.867 3.062 1.00 0.00 H new ATOM 0 HA THR A 11 -14.528 25.600 0.259 1.00 0.00 H new ATOM 0 HB THR A 11 -13.200 27.379 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.829 28.490 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.964 29.406 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.296 28.234 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.438 28.422 2.060 1.00 0.00 H new ATOM 169 N LYS A 12 -11.890 24.965 -0.158 1.00 0.00 N ATOM 170 CA LYS A 12 -10.783 24.042 -0.339 1.00 0.00 C ATOM 171 C LYS A 12 -10.072 23.835 1.000 1.00 0.00 C ATOM 172 O LYS A 12 -9.899 22.703 1.447 1.00 0.00 O ATOM 173 CB LYS A 12 -9.858 24.526 -1.458 1.00 0.00 C ATOM 174 CG LYS A 12 -8.912 23.411 -1.909 1.00 0.00 C ATOM 175 CD LYS A 12 -7.788 23.967 -2.785 1.00 0.00 C ATOM 176 CE LYS A 12 -7.275 22.904 -3.759 1.00 0.00 C ATOM 177 NZ LYS A 12 -6.709 23.541 -4.970 1.00 0.00 N ATOM 0 H LYS A 12 -12.015 25.635 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.150 23.067 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.454 24.867 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.278 25.381 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.487 22.915 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.471 22.657 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.150 24.831 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.969 24.314 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.514 22.293 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.089 22.236 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.365 22.806 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.445 24.105 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.919 24.160 -4.699 1.00 0.00 H new ATOM 191 N GLU A 13 -9.678 24.948 1.602 1.00 0.00 N ATOM 192 CA GLU A 13 -8.990 24.904 2.881 1.00 0.00 C ATOM 193 C GLU A 13 -9.694 23.931 3.829 1.00 0.00 C ATOM 194 O GLU A 13 -9.040 23.187 4.558 1.00 0.00 O ATOM 195 CB GLU A 13 -8.893 26.299 3.500 1.00 0.00 C ATOM 196 CG GLU A 13 -7.578 26.471 4.263 1.00 0.00 C ATOM 197 CD GLU A 13 -7.835 26.703 5.753 1.00 0.00 C ATOM 198 OE1 GLU A 13 -8.736 26.021 6.287 1.00 0.00 O ATOM 199 OE2 GLU A 13 -7.125 27.559 6.325 1.00 0.00 O ATOM 0 H GLU A 13 -9.822 25.886 1.227 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.974 24.546 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.964 27.054 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.733 26.460 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.958 25.584 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.022 27.313 3.851 1.00 0.00 H new ATOM 206 N GLU A 14 -11.017 23.968 3.788 1.00 0.00 N ATOM 207 CA GLU A 14 -11.817 23.099 4.634 1.00 0.00 C ATOM 208 C GLU A 14 -11.461 21.633 4.377 1.00 0.00 C ATOM 209 O GLU A 14 -11.248 20.868 5.317 1.00 0.00 O ATOM 210 CB GLU A 14 -13.311 23.346 4.418 1.00 0.00 C ATOM 211 CG GLU A 14 -13.968 22.155 3.717 1.00 0.00 C ATOM 212 CD GLU A 14 -15.463 22.401 3.503 1.00 0.00 C ATOM 213 OE1 GLU A 14 -15.782 23.215 2.610 1.00 0.00 O ATOM 214 OE2 GLU A 14 -16.253 21.769 4.237 1.00 0.00 O ATOM 0 H GLU A 14 -11.556 24.587 3.182 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.591 23.331 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.797 23.521 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.452 24.247 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.483 21.981 2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.826 21.254 4.313 1.00 0.00 H new ATOM 221 N ASP A 15 -11.406 21.286 3.100 1.00 0.00 N ATOM 222 CA ASP A 15 -11.079 19.926 2.707 1.00 0.00 C ATOM 223 C ASP A 15 -9.669 19.585 3.191 1.00 0.00 C ATOM 224 O ASP A 15 -9.455 18.542 3.806 1.00 0.00 O ATOM 225 CB ASP A 15 -11.108 19.770 1.185 1.00 0.00 C ATOM 226 CG ASP A 15 -12.441 19.287 0.609 1.00 0.00 C ATOM 227 OD1 ASP A 15 -13.439 20.014 0.803 1.00 0.00 O ATOM 228 OD2 ASP A 15 -12.431 18.202 -0.011 1.00 0.00 O ATOM 0 H ASP A 15 -11.582 21.923 2.323 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.818 19.260 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.860 20.730 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.327 19.068 0.892 1.00 0.00 H new ATOM 233 N GLN A 16 -8.742 20.485 2.894 1.00 0.00 N ATOM 234 CA GLN A 16 -7.358 20.292 3.291 1.00 0.00 C ATOM 235 C GLN A 16 -7.280 19.888 4.765 1.00 0.00 C ATOM 236 O GLN A 16 -6.311 19.259 5.189 1.00 0.00 O ATOM 237 CB GLN A 16 -6.531 21.552 3.024 1.00 0.00 C ATOM 238 CG GLN A 16 -6.570 22.498 4.225 1.00 0.00 C ATOM 239 CD GLN A 16 -5.180 22.655 4.845 1.00 0.00 C ATOM 240 OE1 GLN A 16 -4.336 23.392 4.363 1.00 0.00 O ATOM 241 NE2 GLN A 16 -4.989 21.922 5.938 1.00 0.00 N ATOM 0 H GLN A 16 -8.923 21.349 2.383 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.937 19.486 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.499 21.275 2.808 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.915 22.063 2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.945 23.473 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.264 22.114 4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.738 21.325 6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.094 21.957 6.425 1.00 0.00 H new ATOM 250 N LYS A 17 -8.312 20.264 5.505 1.00 0.00 N ATOM 251 CA LYS A 17 -8.373 19.949 6.922 1.00 0.00 C ATOM 252 C LYS A 17 -8.648 18.454 7.095 1.00 0.00 C ATOM 253 O LYS A 17 -7.907 17.759 7.789 1.00 0.00 O ATOM 254 CB LYS A 17 -9.390 20.847 7.628 1.00 0.00 C ATOM 255 CG LYS A 17 -8.936 21.175 9.052 1.00 0.00 C ATOM 256 CD LYS A 17 -10.126 21.204 10.013 1.00 0.00 C ATOM 257 CE LYS A 17 -9.657 21.368 11.461 1.00 0.00 C ATOM 258 NZ LYS A 17 -9.157 22.742 11.691 1.00 0.00 N ATOM 0 H LYS A 17 -9.114 20.785 5.149 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.415 20.156 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.520 21.770 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.360 20.351 7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.211 20.433 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.431 22.141 9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.793 22.025 9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.700 20.283 9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.481 21.155 12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.869 20.647 11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.874 22.847 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.336 22.920 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.909 23.426 11.471 1.00 0.00 H new ATOM 272 N VAL A 18 -9.715 18.002 6.452 1.00 0.00 N ATOM 273 CA VAL A 18 -10.097 16.603 6.527 1.00 0.00 C ATOM 274 C VAL A 18 -8.859 15.728 6.322 1.00 0.00 C ATOM 275 O VAL A 18 -8.775 14.627 6.864 1.00 0.00 O ATOM 276 CB VAL A 18 -11.210 16.309 5.518 1.00 0.00 C ATOM 277 CG1 VAL A 18 -11.163 14.850 5.060 1.00 0.00 C ATOM 278 CG2 VAL A 18 -12.582 16.659 6.097 1.00 0.00 C ATOM 0 H VAL A 18 -10.327 18.581 5.877 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.500 16.370 7.513 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.045 16.940 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.964 14.668 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.201 14.647 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.290 14.194 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.355 16.441 5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.760 16.067 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.611 17.719 6.349 1.00 0.00 H new ATOM 288 N ILE A 19 -7.927 16.252 5.539 1.00 0.00 N ATOM 289 CA ILE A 19 -6.697 15.533 5.256 1.00 0.00 C ATOM 290 C ILE A 19 -5.797 15.565 6.492 1.00 0.00 C ATOM 291 O ILE A 19 -5.270 14.534 6.908 1.00 0.00 O ATOM 292 CB ILE A 19 -6.030 16.089 3.996 1.00 0.00 C ATOM 293 CG1 ILE A 19 -6.818 15.703 2.742 1.00 0.00 C ATOM 294 CG2 ILE A 19 -4.567 15.649 3.910 1.00 0.00 C ATOM 295 CD1 ILE A 19 -8.318 15.640 3.036 1.00 0.00 C ATOM 0 H ILE A 19 -7.999 17.166 5.092 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.909 14.485 5.042 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.036 17.177 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.629 16.429 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.474 14.736 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.117 16.058 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.025 16.015 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.515 14.561 3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.855 15.364 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.506 14.896 3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.663 16.615 3.379 1.00 0.00 H new ATOM 307 N GLU A 20 -5.648 16.759 7.047 1.00 0.00 N ATOM 308 CA GLU A 20 -4.821 16.938 8.228 1.00 0.00 C ATOM 309 C GLU A 20 -5.460 16.246 9.433 1.00 0.00 C ATOM 310 O GLU A 20 -4.793 15.998 10.437 1.00 0.00 O ATOM 311 CB GLU A 20 -4.583 18.423 8.510 1.00 0.00 C ATOM 312 CG GLU A 20 -3.450 18.972 7.641 1.00 0.00 C ATOM 313 CD GLU A 20 -2.830 20.220 8.273 1.00 0.00 C ATOM 314 OE1 GLU A 20 -3.421 21.305 8.084 1.00 0.00 O ATOM 315 OE2 GLU A 20 -1.779 20.061 8.931 1.00 0.00 O ATOM 0 H GLU A 20 -6.086 17.612 6.700 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.851 16.477 8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.498 18.984 8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.338 18.562 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.684 18.208 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.832 19.214 6.649 1.00 0.00 H new ATOM 322 N LEU A 21 -6.744 15.953 9.295 1.00 0.00 N ATOM 323 CA LEU A 21 -7.481 15.294 10.360 1.00 0.00 C ATOM 324 C LEU A 21 -7.370 13.778 10.189 1.00 0.00 C ATOM 325 O LEU A 21 -7.390 13.036 11.169 1.00 0.00 O ATOM 326 CB LEU A 21 -8.923 15.804 10.409 1.00 0.00 C ATOM 327 CG LEU A 21 -9.158 17.071 11.233 1.00 0.00 C ATOM 328 CD1 LEU A 21 -10.198 17.973 10.566 1.00 0.00 C ATOM 329 CD2 LEU A 21 -9.540 16.725 12.674 1.00 0.00 C ATOM 0 H LEU A 21 -7.294 16.160 8.461 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.048 15.538 11.330 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.256 15.991 9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.554 15.011 10.810 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.224 17.631 11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.347 18.867 11.172 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.848 18.261 9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.142 17.435 10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.701 17.644 13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.455 16.133 12.676 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.736 16.152 13.136 1.00 0.00 H new ATOM 341 N VAL A 22 -7.255 13.363 8.936 1.00 0.00 N ATOM 342 CA VAL A 22 -7.141 11.949 8.623 1.00 0.00 C ATOM 343 C VAL A 22 -5.776 11.437 9.088 1.00 0.00 C ATOM 344 O VAL A 22 -5.655 10.294 9.528 1.00 0.00 O ATOM 345 CB VAL A 22 -7.388 11.721 7.130 1.00 0.00 C ATOM 346 CG1 VAL A 22 -6.944 10.319 6.709 1.00 0.00 C ATOM 347 CG2 VAL A 22 -8.857 11.960 6.775 1.00 0.00 C ATOM 0 H VAL A 22 -7.238 13.982 8.125 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.902 11.378 9.155 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.787 12.443 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.130 10.183 5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.879 10.199 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.505 9.575 7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.006 11.791 5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.485 11.273 7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.128 12.987 7.021 1.00 0.00 H new ATOM 357 N LYS A 23 -4.783 12.307 8.974 1.00 0.00 N ATOM 358 CA LYS A 23 -3.432 11.957 9.377 1.00 0.00 C ATOM 359 C LYS A 23 -3.315 12.062 10.899 1.00 0.00 C ATOM 360 O LYS A 23 -2.650 11.243 11.532 1.00 0.00 O ATOM 361 CB LYS A 23 -2.410 12.809 8.622 1.00 0.00 C ATOM 362 CG LYS A 23 -2.586 14.293 8.948 1.00 0.00 C ATOM 363 CD LYS A 23 -1.511 14.771 9.925 1.00 0.00 C ATOM 364 CE LYS A 23 -1.318 16.286 9.830 1.00 0.00 C ATOM 365 NZ LYS A 23 -2.176 16.981 10.815 1.00 0.00 N ATOM 0 H LYS A 23 -4.887 13.253 8.608 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.211 10.924 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.401 12.492 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.523 12.653 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.535 14.879 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.574 14.460 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.793 14.500 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.569 14.267 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.272 16.537 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.560 16.627 8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.150 18.005 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.154 16.639 10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.828 16.788 11.776 1.00 0.00 H new ATOM 379 N LYS A 24 -3.971 13.076 11.442 1.00 0.00 N ATOM 380 CA LYS A 24 -3.949 13.298 12.878 1.00 0.00 C ATOM 381 C LYS A 24 -4.752 12.197 13.573 1.00 0.00 C ATOM 382 O LYS A 24 -4.540 11.920 14.753 1.00 0.00 O ATOM 383 CB LYS A 24 -4.432 14.712 13.209 1.00 0.00 C ATOM 384 CG LYS A 24 -3.910 15.164 14.574 1.00 0.00 C ATOM 385 CD LYS A 24 -4.540 16.496 14.988 1.00 0.00 C ATOM 386 CE LYS A 24 -5.706 16.274 15.954 1.00 0.00 C ATOM 387 NZ LYS A 24 -6.419 17.546 16.206 1.00 0.00 N ATOM 0 H LYS A 24 -4.521 13.753 10.914 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.929 13.237 13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.094 15.405 12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.522 14.738 13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.133 14.404 15.323 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.825 15.266 14.537 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.787 17.127 15.460 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.892 17.027 14.103 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.396 15.540 15.538 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.335 15.866 16.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.207 17.378 16.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.762 18.236 16.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.790 17.920 15.309 1.00 0.00 H new ATOM 401 N TYR A 25 -5.656 11.598 12.812 1.00 0.00 N ATOM 402 CA TYR A 25 -6.491 10.532 13.340 1.00 0.00 C ATOM 403 C TYR A 25 -5.940 9.159 12.949 1.00 0.00 C ATOM 404 O TYR A 25 -5.800 8.279 13.797 1.00 0.00 O ATOM 405 CB TYR A 25 -7.867 10.717 12.697 1.00 0.00 C ATOM 406 CG TYR A 25 -8.718 11.808 13.352 1.00 0.00 C ATOM 407 CD1 TYR A 25 -8.109 12.900 13.937 1.00 0.00 C ATOM 408 CD2 TYR A 25 -10.093 11.699 13.358 1.00 0.00 C ATOM 409 CE1 TYR A 25 -8.909 13.926 14.553 1.00 0.00 C ATOM 410 CE2 TYR A 25 -10.894 12.725 13.975 1.00 0.00 C ATOM 411 CZ TYR A 25 -10.262 13.788 14.542 1.00 0.00 C ATOM 412 OH TYR A 25 -11.018 14.757 15.124 1.00 0.00 O ATOM 0 H TYR A 25 -5.829 11.830 11.834 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.528 10.577 14.428 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.734 10.958 11.642 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.408 9.772 12.743 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.032 12.985 13.933 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.569 10.844 12.900 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.445 14.786 15.013 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.971 12.652 13.987 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.967 14.526 15.040 1.00 0.00 H new ATOM 422 N GLY A 26 -5.642 9.020 11.666 1.00 0.00 N ATOM 423 CA GLY A 26 -5.110 7.769 11.153 1.00 0.00 C ATOM 424 C GLY A 26 -6.021 7.188 10.070 1.00 0.00 C ATOM 425 O GLY A 26 -5.737 6.126 9.519 1.00 0.00 O ATOM 0 H GLY A 26 -5.759 9.753 10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.113 7.934 10.744 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.006 7.053 11.968 1.00 0.00 H new ATOM 429 N THR A 27 -7.098 7.911 9.797 1.00 0.00 N ATOM 430 CA THR A 27 -8.052 7.480 8.790 1.00 0.00 C ATOM 431 C THR A 27 -8.954 6.377 9.347 1.00 0.00 C ATOM 432 O THR A 27 -9.091 5.316 8.739 1.00 0.00 O ATOM 433 CB THR A 27 -7.269 7.055 7.547 1.00 0.00 C ATOM 434 OG1 THR A 27 -6.103 7.874 7.573 1.00 0.00 O ATOM 435 CG2 THR A 27 -7.973 7.450 6.247 1.00 0.00 C ATOM 0 H THR A 27 -7.330 8.792 10.256 1.00 0.00 H new ATOM 0 HA THR A 27 -8.722 8.292 8.507 1.00 0.00 H new ATOM 0 HB THR A 27 -7.119 5.975 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.537 7.662 6.801 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.375 7.125 5.396 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.953 6.974 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.094 8.533 6.213 1.00 0.00 H new ATOM 443 N LYS A 28 -9.547 6.666 10.497 1.00 0.00 N ATOM 444 CA LYS A 28 -10.432 5.711 11.142 1.00 0.00 C ATOM 445 C LYS A 28 -11.819 6.336 11.301 1.00 0.00 C ATOM 446 O LYS A 28 -12.813 5.773 10.845 1.00 0.00 O ATOM 447 CB LYS A 28 -9.823 5.222 12.458 1.00 0.00 C ATOM 448 CG LYS A 28 -8.615 4.320 12.201 1.00 0.00 C ATOM 449 CD LYS A 28 -8.973 2.848 12.418 1.00 0.00 C ATOM 450 CE LYS A 28 -9.126 2.118 11.082 1.00 0.00 C ATOM 451 NZ LYS A 28 -7.962 1.238 10.835 1.00 0.00 N ATOM 0 H LYS A 28 -9.432 7.547 10.998 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.551 4.822 10.523 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.521 6.077 13.063 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.574 4.676 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.259 4.465 11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.799 4.601 12.866 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.198 2.366 13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.901 2.776 12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.042 1.527 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.219 2.843 10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.082 0.750 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.094 1.810 10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.891 0.534 11.598 1.00 0.00 H new ATOM 465 N GLN A 29 -11.843 7.491 11.950 1.00 0.00 N ATOM 466 CA GLN A 29 -13.092 8.198 12.175 1.00 0.00 C ATOM 467 C GLN A 29 -13.485 8.990 10.927 1.00 0.00 C ATOM 468 O GLN A 29 -13.382 10.216 10.906 1.00 0.00 O ATOM 469 CB GLN A 29 -12.991 9.114 13.396 1.00 0.00 C ATOM 470 CG GLN A 29 -12.487 8.344 14.619 1.00 0.00 C ATOM 471 CD GLN A 29 -11.698 9.261 15.557 1.00 0.00 C ATOM 472 OE1 GLN A 29 -12.228 10.179 16.160 1.00 0.00 O ATOM 473 NE2 GLN A 29 -10.405 8.961 15.644 1.00 0.00 N ATOM 0 H GLN A 29 -11.017 7.955 12.327 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.872 7.464 12.376 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.316 9.942 13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.968 9.547 13.612 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.332 7.911 15.154 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.855 7.516 14.297 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.026 8.178 15.111 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.792 9.514 16.244 1.00 0.00 H new ATOM 482 N TRP A 30 -13.928 8.258 9.915 1.00 0.00 N ATOM 483 CA TRP A 30 -14.338 8.877 8.666 1.00 0.00 C ATOM 484 C TRP A 30 -15.396 9.934 8.987 1.00 0.00 C ATOM 485 O TRP A 30 -15.625 10.848 8.197 1.00 0.00 O ATOM 486 CB TRP A 30 -14.827 7.825 7.668 1.00 0.00 C ATOM 487 CG TRP A 30 -13.702 7.087 6.940 1.00 0.00 C ATOM 488 CD1 TRP A 30 -13.171 5.893 7.237 1.00 0.00 C ATOM 489 CD2 TRP A 30 -12.987 7.546 5.773 1.00 0.00 C ATOM 490 NE1 TRP A 30 -12.170 5.550 6.352 1.00 0.00 N ATOM 491 CE2 TRP A 30 -12.054 6.587 5.433 1.00 0.00 C ATOM 492 CE3 TRP A 30 -13.123 8.732 5.030 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -11.186 6.715 4.342 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -12.248 8.845 3.943 1.00 0.00 C ATOM 495 CH2 TRP A 30 -11.304 7.889 3.588 1.00 0.00 C ATOM 0 H TRP A 30 -14.012 7.242 9.935 1.00 0.00 H new ATOM 0 HA TRP A 30 -13.493 9.367 8.182 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -15.443 7.097 8.196 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.467 8.309 6.930 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -13.487 5.276 8.065 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -11.617 4.693 6.369 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -13.845 9.495 5.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -10.465 5.950 4.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -12.311 9.737 3.338 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -10.664 8.051 2.734 1.00 0.00 H new ATOM 506 N THR A 31 -16.014 9.774 10.148 1.00 0.00 N ATOM 507 CA THR A 31 -17.042 10.704 10.583 1.00 0.00 C ATOM 508 C THR A 31 -16.505 12.136 10.574 1.00 0.00 C ATOM 509 O THR A 31 -17.199 13.061 10.154 1.00 0.00 O ATOM 510 CB THR A 31 -17.538 10.250 11.958 1.00 0.00 C ATOM 511 OG1 THR A 31 -18.947 10.119 11.792 1.00 0.00 O ATOM 512 CG2 THR A 31 -17.388 11.339 13.023 1.00 0.00 C ATOM 0 H THR A 31 -15.822 9.014 10.801 1.00 0.00 H new ATOM 0 HA THR A 31 -17.890 10.704 9.898 1.00 0.00 H new ATOM 0 HB THR A 31 -16.988 9.361 12.267 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.350 9.826 12.636 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.754 10.966 13.979 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.337 11.612 13.119 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.966 12.216 12.731 1.00 0.00 H new ATOM 520 N LEU A 32 -15.273 12.275 11.041 1.00 0.00 N ATOM 521 CA LEU A 32 -14.634 13.580 11.091 1.00 0.00 C ATOM 522 C LEU A 32 -14.747 14.251 9.721 1.00 0.00 C ATOM 523 O LEU A 32 -15.089 15.429 9.629 1.00 0.00 O ATOM 524 CB LEU A 32 -13.196 13.453 11.596 1.00 0.00 C ATOM 525 CG LEU A 32 -12.097 13.652 10.550 1.00 0.00 C ATOM 526 CD1 LEU A 32 -11.875 15.139 10.265 1.00 0.00 C ATOM 527 CD2 LEU A 32 -10.805 12.951 10.972 1.00 0.00 C ATOM 0 H LEU A 32 -14.700 11.506 11.388 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.143 14.226 11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.047 14.181 12.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.074 12.465 12.039 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.424 13.190 9.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.089 15.253 9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.799 15.579 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.579 15.645 11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.041 13.108 10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.462 13.362 11.922 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.991 11.883 11.084 1.00 0.00 H new ATOM 539 N ILE A 33 -14.454 13.472 8.689 1.00 0.00 N ATOM 540 CA ILE A 33 -14.519 13.977 7.328 1.00 0.00 C ATOM 541 C ILE A 33 -15.954 14.407 7.016 1.00 0.00 C ATOM 542 O ILE A 33 -16.172 15.421 6.355 1.00 0.00 O ATOM 543 CB ILE A 33 -13.959 12.945 6.347 1.00 0.00 C ATOM 544 CG1 ILE A 33 -12.458 12.742 6.563 1.00 0.00 C ATOM 545 CG2 ILE A 33 -14.283 13.330 4.902 1.00 0.00 C ATOM 546 CD1 ILE A 33 -12.189 11.484 7.391 1.00 0.00 C ATOM 0 H ILE A 33 -14.171 12.495 8.768 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.890 14.861 7.219 1.00 0.00 H new ATOM 0 HB ILE A 33 -14.445 11.989 6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.956 12.662 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -12.039 13.612 7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.874 12.580 4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -15.364 13.384 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.842 14.301 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -11.115 11.363 7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -12.672 11.578 8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.588 10.613 6.870 1.00 0.00 H new ATOM 558 N ALA A 34 -16.895 13.614 7.507 1.00 0.00 N ATOM 559 CA ALA A 34 -18.303 13.900 7.288 1.00 0.00 C ATOM 560 C ALA A 34 -18.865 14.634 8.508 1.00 0.00 C ATOM 561 O ALA A 34 -20.080 14.707 8.687 1.00 0.00 O ATOM 562 CB ALA A 34 -19.050 12.597 6.996 1.00 0.00 C ATOM 0 H ALA A 34 -16.710 12.774 8.055 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.433 14.550 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -20.106 12.812 6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -18.632 12.130 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -18.945 11.920 7.844 1.00 0.00 H new ATOM 568 N LYS A 35 -17.955 15.158 9.315 1.00 0.00 N ATOM 569 CA LYS A 35 -18.344 15.883 10.512 1.00 0.00 C ATOM 570 C LYS A 35 -17.798 17.310 10.439 1.00 0.00 C ATOM 571 O LYS A 35 -18.430 18.246 10.926 1.00 0.00 O ATOM 572 CB LYS A 35 -17.909 15.121 11.765 1.00 0.00 C ATOM 573 CG LYS A 35 -18.572 15.700 13.017 1.00 0.00 C ATOM 574 CD LYS A 35 -17.674 16.748 13.678 1.00 0.00 C ATOM 575 CE LYS A 35 -17.172 16.261 15.038 1.00 0.00 C ATOM 576 NZ LYS A 35 -16.515 17.364 15.774 1.00 0.00 N ATOM 0 H LYS A 35 -16.948 15.095 9.163 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.429 15.960 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.172 14.068 11.664 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.825 15.171 11.867 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.528 16.151 12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.783 14.898 13.725 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.825 16.966 13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.227 17.679 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.006 15.872 15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.469 15.439 14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.180 17.016 16.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.707 17.716 15.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.196 18.136 15.922 1.00 0.00 H new ATOM 590 N HIS A 36 -16.630 17.432 9.826 1.00 0.00 N ATOM 591 CA HIS A 36 -15.992 18.730 9.683 1.00 0.00 C ATOM 592 C HIS A 36 -16.583 19.462 8.477 1.00 0.00 C ATOM 593 O HIS A 36 -17.061 20.589 8.603 1.00 0.00 O ATOM 594 CB HIS A 36 -14.471 18.581 9.599 1.00 0.00 C ATOM 595 CG HIS A 36 -13.831 18.094 10.877 1.00 0.00 C ATOM 596 ND1 HIS A 36 -14.144 17.043 11.687 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -12.734 18.715 11.449 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -13.285 17.021 12.698 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -12.410 18.057 12.553 1.00 0.00 N flip ATOM 0 H HIS A 36 -16.109 16.654 9.423 1.00 0.00 H new ATOM 0 HA HIS A 36 -16.192 19.337 10.566 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.228 17.886 8.795 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.036 19.544 9.331 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -14.909 16.385 11.541 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.228 19.587 11.062 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.280 16.301 13.503 1.00 0.00 H new ATOM 607 N LEU A 37 -16.532 18.793 7.335 1.00 0.00 N ATOM 608 CA LEU A 37 -17.057 19.366 6.107 1.00 0.00 C ATOM 609 C LEU A 37 -18.561 19.098 6.026 1.00 0.00 C ATOM 610 O LEU A 37 -19.018 18.364 5.151 1.00 0.00 O ATOM 611 CB LEU A 37 -16.274 18.850 4.898 1.00 0.00 C ATOM 612 CG LEU A 37 -14.789 18.566 5.132 1.00 0.00 C ATOM 613 CD1 LEU A 37 -14.032 18.481 3.805 1.00 0.00 C ATOM 614 CD2 LEU A 37 -14.175 19.600 6.078 1.00 0.00 C ATOM 0 H LEU A 37 -16.135 17.859 7.234 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.926 20.448 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.748 17.933 4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.361 19.581 4.094 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.699 17.594 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.979 18.278 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.450 17.678 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.127 19.426 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.119 19.375 6.227 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.276 20.595 5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.692 19.568 7.037 1.00 0.00 H new ATOM 626 N LYS A 38 -19.289 19.707 6.951 1.00 0.00 N ATOM 627 CA LYS A 38 -20.732 19.543 6.995 1.00 0.00 C ATOM 628 C LYS A 38 -21.343 20.090 5.703 1.00 0.00 C ATOM 629 O LYS A 38 -20.649 20.239 4.699 1.00 0.00 O ATOM 630 CB LYS A 38 -21.305 20.179 8.263 1.00 0.00 C ATOM 631 CG LYS A 38 -21.990 19.130 9.141 1.00 0.00 C ATOM 632 CD LYS A 38 -21.093 18.724 10.312 1.00 0.00 C ATOM 633 CE LYS A 38 -21.884 18.685 11.621 1.00 0.00 C ATOM 634 NZ LYS A 38 -20.967 18.720 12.782 1.00 0.00 N ATOM 0 H LYS A 38 -18.906 20.315 7.675 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.994 18.486 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.506 20.663 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.020 20.956 7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.932 19.527 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.232 18.252 8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.656 17.744 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.267 19.429 10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.568 19.532 11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.493 17.782 11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.224 17.966 13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.990 18.576 12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.042 19.643 13.256 1.00 0.00 H new ATOM 648 N GLY A 39 -22.635 20.374 5.771 1.00 0.00 N ATOM 649 CA GLY A 39 -23.347 20.901 4.620 1.00 0.00 C ATOM 650 C GLY A 39 -23.732 19.780 3.653 1.00 0.00 C ATOM 651 O GLY A 39 -24.328 20.034 2.607 1.00 0.00 O ATOM 0 H GLY A 39 -23.207 20.249 6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -24.244 21.424 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -22.723 21.632 4.105 1.00 0.00 H new ATOM 655 N ARG A 40 -23.375 18.563 4.036 1.00 0.00 N ATOM 656 CA ARG A 40 -23.676 17.402 3.216 1.00 0.00 C ATOM 657 C ARG A 40 -22.725 16.252 3.555 1.00 0.00 C ATOM 658 O ARG A 40 -21.977 16.327 4.528 1.00 0.00 O ATOM 659 CB ARG A 40 -23.555 17.732 1.727 1.00 0.00 C ATOM 660 CG ARG A 40 -24.935 17.931 1.096 1.00 0.00 C ATOM 661 CD ARG A 40 -25.140 16.979 -0.084 1.00 0.00 C ATOM 662 NE ARG A 40 -25.236 17.748 -1.344 1.00 0.00 N ATOM 663 CZ ARG A 40 -25.722 17.254 -2.491 1.00 0.00 C ATOM 664 NH1 ARG A 40 -26.158 15.988 -2.544 1.00 0.00 N ATOM 665 NH2 ARG A 40 -25.771 18.026 -3.586 1.00 0.00 N ATOM 0 H ARG A 40 -22.880 18.356 4.903 1.00 0.00 H new ATOM 0 HA ARG A 40 -24.703 17.104 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -22.959 18.635 1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -23.029 16.927 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -25.709 17.761 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -25.039 18.962 0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -24.311 16.274 -0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -26.047 16.393 0.064 1.00 0.00 H new ATOM 0 HE ARG A 40 -24.912 18.715 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -26.120 15.400 -1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -26.528 15.612 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -25.438 18.989 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -26.141 17.650 -4.459 1.00 0.00 H new ATOM 679 N LEU A 41 -22.785 15.215 2.732 1.00 0.00 N ATOM 680 CA LEU A 41 -21.938 14.051 2.932 1.00 0.00 C ATOM 681 C LEU A 41 -20.473 14.456 2.757 1.00 0.00 C ATOM 682 O LEU A 41 -20.104 15.042 1.740 1.00 0.00 O ATOM 683 CB LEU A 41 -22.374 12.907 2.015 1.00 0.00 C ATOM 684 CG LEU A 41 -23.384 11.921 2.606 1.00 0.00 C ATOM 685 CD1 LEU A 41 -22.715 10.995 3.624 1.00 0.00 C ATOM 686 CD2 LEU A 41 -24.584 12.658 3.203 1.00 0.00 C ATOM 0 H LEU A 41 -23.407 15.157 1.926 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.045 13.672 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -22.803 13.337 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.486 12.351 1.714 1.00 0.00 H new ATOM 0 HG LEU A 41 -23.761 11.293 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -23.455 10.304 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -21.921 10.431 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -22.292 11.590 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -25.287 11.934 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -24.244 13.326 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -25.078 13.240 2.425 1.00 0.00 H new ATOM 698 N GLY A 42 -19.677 14.127 3.764 1.00 0.00 N ATOM 699 CA GLY A 42 -18.260 14.449 3.734 1.00 0.00 C ATOM 700 C GLY A 42 -17.697 14.311 2.318 1.00 0.00 C ATOM 701 O GLY A 42 -17.535 13.200 1.816 1.00 0.00 O ATOM 0 H GLY A 42 -19.986 13.641 4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -18.107 15.467 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -17.719 13.788 4.411 1.00 0.00 H new ATOM 705 N LYS A 43 -17.413 15.456 1.714 1.00 0.00 N ATOM 706 CA LYS A 43 -16.871 15.477 0.366 1.00 0.00 C ATOM 707 C LYS A 43 -15.488 14.824 0.367 1.00 0.00 C ATOM 708 O LYS A 43 -14.492 15.469 0.042 1.00 0.00 O ATOM 709 CB LYS A 43 -16.878 16.902 -0.191 1.00 0.00 C ATOM 710 CG LYS A 43 -16.190 17.871 0.772 1.00 0.00 C ATOM 711 CD LYS A 43 -17.085 19.076 1.070 1.00 0.00 C ATOM 712 CE LYS A 43 -18.250 18.682 1.980 1.00 0.00 C ATOM 713 NZ LYS A 43 -19.187 19.816 2.144 1.00 0.00 N ATOM 0 H LYS A 43 -17.548 16.376 2.134 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.499 14.893 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.371 16.922 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.905 17.224 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.947 17.355 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.248 18.211 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.497 19.861 1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.471 19.487 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.776 17.826 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.870 18.373 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.591 19.796 3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.677 20.711 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.952 19.738 1.444 1.00 0.00 H new ATOM 727 N GLN A 44 -15.470 13.552 0.737 1.00 0.00 N ATOM 728 CA GLN A 44 -14.225 12.804 0.785 1.00 0.00 C ATOM 729 C GLN A 44 -14.439 11.461 1.487 1.00 0.00 C ATOM 730 O GLN A 44 -13.741 11.142 2.449 1.00 0.00 O ATOM 731 CB GLN A 44 -13.124 13.614 1.473 1.00 0.00 C ATOM 732 CG GLN A 44 -11.890 13.733 0.577 1.00 0.00 C ATOM 733 CD GLN A 44 -12.205 14.538 -0.686 1.00 0.00 C ATOM 734 OE1 GLN A 44 -12.174 15.757 -0.700 1.00 0.00 O ATOM 735 NE2 GLN A 44 -12.509 13.789 -1.742 1.00 0.00 N ATOM 0 H GLN A 44 -16.298 13.020 1.006 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.901 12.609 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.498 14.608 1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.850 13.136 2.414 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.082 14.215 1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.539 12.739 0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.516 12.772 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.735 14.231 -2.633 1.00 0.00 H new ATOM 744 N CYS A 45 -15.406 10.712 0.980 1.00 0.00 N ATOM 745 CA CYS A 45 -15.721 9.411 1.547 1.00 0.00 C ATOM 746 C CYS A 45 -14.920 8.351 0.790 1.00 0.00 C ATOM 747 O CYS A 45 -15.448 7.687 -0.101 1.00 0.00 O ATOM 748 CB CYS A 45 -17.223 9.126 1.510 1.00 0.00 C ATOM 749 SG CYS A 45 -17.529 7.343 1.783 1.00 0.00 S ATOM 0 H CYS A 45 -15.982 10.981 0.183 1.00 0.00 H new ATOM 0 HA CYS A 45 -15.441 9.393 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -17.732 9.712 2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -17.636 9.431 0.548 1.00 0.00 H new ATOM 0 HG CYS A 45 -16.858 6.649 0.912 1.00 0.00 H new ATOM 755 N ARG A 46 -13.657 8.223 1.171 1.00 0.00 N ATOM 756 CA ARG A 46 -12.778 7.254 0.539 1.00 0.00 C ATOM 757 C ARG A 46 -12.677 7.530 -0.962 1.00 0.00 C ATOM 758 O ARG A 46 -13.657 7.386 -1.691 1.00 0.00 O ATOM 759 CB ARG A 46 -13.285 5.827 0.755 1.00 0.00 C ATOM 760 CG ARG A 46 -13.472 5.531 2.245 1.00 0.00 C ATOM 761 CD ARG A 46 -14.846 4.914 2.513 1.00 0.00 C ATOM 762 NE ARG A 46 -15.393 5.431 3.787 1.00 0.00 N ATOM 763 CZ ARG A 46 -16.552 5.027 4.326 1.00 0.00 C ATOM 764 NH1 ARG A 46 -17.292 4.099 3.705 1.00 0.00 N ATOM 765 NH2 ARG A 46 -16.970 5.552 5.486 1.00 0.00 N ATOM 0 H ARG A 46 -13.222 8.775 1.910 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.794 7.351 0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.231 5.690 0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.578 5.117 0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.691 4.851 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.365 6.452 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.525 5.149 1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.764 3.828 2.557 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.855 6.139 4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.974 3.700 2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.174 3.792 4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.406 6.259 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.852 5.245 5.896 1.00 0.00 H new ATOM 779 N GLU A 47 -11.482 7.922 -1.380 1.00 0.00 N ATOM 780 CA GLU A 47 -11.239 8.219 -2.781 1.00 0.00 C ATOM 781 C GLU A 47 -9.930 8.994 -2.941 1.00 0.00 C ATOM 782 O GLU A 47 -9.896 10.036 -3.594 1.00 0.00 O ATOM 783 CB GLU A 47 -12.411 8.993 -3.388 1.00 0.00 C ATOM 784 CG GLU A 47 -13.161 8.138 -4.413 1.00 0.00 C ATOM 785 CD GLU A 47 -13.866 9.016 -5.448 1.00 0.00 C ATOM 786 OE1 GLU A 47 -13.173 9.883 -6.024 1.00 0.00 O ATOM 787 OE2 GLU A 47 -15.082 8.801 -5.641 1.00 0.00 O ATOM 0 H GLU A 47 -10.671 8.041 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.149 7.277 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.095 9.303 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.043 9.901 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.462 7.468 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.893 7.511 -3.903 1.00 0.00 H new ATOM 794 N ARG A 48 -8.883 8.456 -2.332 1.00 0.00 N ATOM 795 CA ARG A 48 -7.574 9.084 -2.399 1.00 0.00 C ATOM 796 C ARG A 48 -6.555 8.271 -1.598 1.00 0.00 C ATOM 797 O ARG A 48 -5.400 8.146 -2.003 1.00 0.00 O ATOM 798 CB ARG A 48 -7.620 10.512 -1.852 1.00 0.00 C ATOM 799 CG ARG A 48 -6.411 11.320 -2.327 1.00 0.00 C ATOM 800 CD ARG A 48 -6.737 12.095 -3.605 1.00 0.00 C ATOM 801 NE ARG A 48 -7.234 13.447 -3.265 1.00 0.00 N ATOM 802 CZ ARG A 48 -7.180 14.497 -4.094 1.00 0.00 C ATOM 803 NH1 ARG A 48 -6.651 14.359 -5.318 1.00 0.00 N ATOM 804 NH2 ARG A 48 -7.655 15.687 -3.700 1.00 0.00 N ATOM 0 H ARG A 48 -8.915 7.592 -1.790 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.275 9.118 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.539 11.000 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -7.640 10.487 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.103 12.014 -1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.570 10.651 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.847 12.172 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.488 11.558 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.643 13.588 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.289 13.454 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.610 15.159 -5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.057 15.792 -2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.614 16.487 -4.331 1.00 0.00 H new ATOM 818 N TRP A 49 -7.019 7.739 -0.477 1.00 0.00 N ATOM 819 CA TRP A 49 -6.161 6.942 0.384 1.00 0.00 C ATOM 820 C TRP A 49 -6.663 5.497 0.344 1.00 0.00 C ATOM 821 O TRP A 49 -5.870 4.559 0.407 1.00 0.00 O ATOM 822 CB TRP A 49 -6.117 7.520 1.800 1.00 0.00 C ATOM 823 CG TRP A 49 -7.175 8.591 2.069 1.00 0.00 C ATOM 824 CD1 TRP A 49 -8.503 8.497 1.912 1.00 0.00 C ATOM 825 CD2 TRP A 49 -6.940 9.931 2.552 1.00 0.00 C ATOM 826 NE1 TRP A 49 -9.138 9.673 2.257 1.00 0.00 N ATOM 827 CE2 TRP A 49 -8.157 10.572 2.658 1.00 0.00 C ATOM 828 CE3 TRP A 49 -5.738 10.579 2.887 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -8.291 11.894 3.100 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -5.889 11.899 3.327 1.00 0.00 C ATOM 831 CH2 TRP A 49 -7.107 12.559 3.440 1.00 0.00 C ATOM 0 H TRP A 49 -7.978 7.844 -0.145 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.131 6.963 0.029 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.246 6.709 2.516 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.130 7.947 1.976 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.012 7.612 1.560 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.142 9.850 2.224 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.775 10.097 2.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.255 12.374 3.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -4.996 12.443 3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.140 13.581 3.789 1.00 0.00 H new ATOM 842 N HIS A 50 -7.977 5.363 0.239 1.00 0.00 N ATOM 843 CA HIS A 50 -8.594 4.049 0.189 1.00 0.00 C ATOM 844 C HIS A 50 -8.588 3.533 -1.252 1.00 0.00 C ATOM 845 O HIS A 50 -8.406 2.340 -1.487 1.00 0.00 O ATOM 846 CB HIS A 50 -9.995 4.083 0.801 1.00 0.00 C ATOM 847 CG HIS A 50 -10.535 2.723 1.177 1.00 0.00 C ATOM 848 ND1 HIS A 50 -10.332 1.596 0.400 1.00 0.00 N ATOM 849 CD2 HIS A 50 -11.269 2.322 2.253 1.00 0.00 C ATOM 850 CE1 HIS A 50 -10.924 0.568 0.991 1.00 0.00 C ATOM 851 NE2 HIS A 50 -11.504 1.020 2.139 1.00 0.00 N ATOM 0 H HIS A 50 -8.632 6.144 0.187 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.015 3.349 0.791 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.977 4.714 1.690 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.679 4.551 0.092 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -9.815 1.562 -0.478 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.603 2.956 3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.944 -0.449 0.627 1.00 0.00 H new ATOM 859 N ASN A 51 -8.790 4.459 -2.178 1.00 0.00 N ATOM 860 CA ASN A 51 -8.811 4.113 -3.589 1.00 0.00 C ATOM 861 C ASN A 51 -7.613 4.761 -4.286 1.00 0.00 C ATOM 862 O ASN A 51 -7.783 5.586 -5.183 1.00 0.00 O ATOM 863 CB ASN A 51 -10.085 4.628 -4.263 1.00 0.00 C ATOM 864 CG ASN A 51 -11.324 4.271 -3.439 1.00 0.00 C ATOM 865 OD1 ASN A 51 -11.454 4.983 -2.323 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -12.109 3.408 -3.793 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.940 5.448 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.773 3.027 -3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.024 5.709 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.172 4.199 -5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.949 2.899 -4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.926 3.195 -3.220 1.00 0.00 H new ATOM 873 N HIS A 52 -6.428 4.363 -3.847 1.00 0.00 N ATOM 874 CA HIS A 52 -5.201 4.894 -4.418 1.00 0.00 C ATOM 875 C HIS A 52 -4.002 4.121 -3.867 1.00 0.00 C ATOM 876 O HIS A 52 -3.446 3.262 -4.550 1.00 0.00 O ATOM 877 CB HIS A 52 -5.097 6.401 -4.174 1.00 0.00 C ATOM 878 CG HIS A 52 -4.804 7.205 -5.419 1.00 0.00 C ATOM 879 ND1 HIS A 52 -3.518 7.503 -5.833 1.00 0.00 N ATOM 880 CD2 HIS A 52 -5.644 7.769 -6.334 1.00 0.00 C ATOM 881 CE1 HIS A 52 -3.592 8.215 -6.948 1.00 0.00 C ATOM 882 NE2 HIS A 52 -4.911 8.380 -7.256 1.00 0.00 N ATOM 0 H HIS A 52 -6.291 3.679 -3.103 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.210 4.759 -5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -6.031 6.754 -3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.312 6.587 -3.441 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.723 7.726 -6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -2.755 8.598 -7.514 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -5.274 8.889 -8.062 1.00 0.00 H new ATOM 890 N LEU A 53 -3.638 4.453 -2.637 1.00 0.00 N ATOM 891 CA LEU A 53 -2.515 3.800 -1.987 1.00 0.00 C ATOM 892 C LEU A 53 -1.408 3.556 -3.014 1.00 0.00 C ATOM 893 O LEU A 53 -0.628 4.457 -3.319 1.00 0.00 O ATOM 894 CB LEU A 53 -2.976 2.532 -1.266 1.00 0.00 C ATOM 895 CG LEU A 53 -1.908 1.794 -0.457 1.00 0.00 C ATOM 896 CD1 LEU A 53 -2.062 2.074 1.039 1.00 0.00 C ATOM 897 CD2 LEU A 53 -1.925 0.295 -0.764 1.00 0.00 C ATOM 0 H LEU A 53 -4.101 5.166 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.096 4.444 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.793 2.796 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.382 1.844 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.931 2.173 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.290 1.537 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.961 3.144 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.045 1.741 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.156 -0.206 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.902 -0.117 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.729 0.139 -1.825 1.00 0.00 H new ATOM 909 N ASN A 54 -1.374 2.332 -3.520 1.00 0.00 N ATOM 910 CA ASN A 54 -0.376 1.957 -4.507 1.00 0.00 C ATOM 911 C ASN A 54 0.976 2.555 -4.111 1.00 0.00 C ATOM 912 O ASN A 54 1.435 3.519 -4.721 1.00 0.00 O ATOM 913 CB ASN A 54 -0.742 2.494 -5.893 1.00 0.00 C ATOM 914 CG ASN A 54 -0.017 1.716 -6.992 1.00 0.00 C ATOM 915 OD1 ASN A 54 1.200 1.709 -7.084 1.00 0.00 O ATOM 916 ND2 ASN A 54 -0.828 1.062 -7.818 1.00 0.00 N ATOM 0 H ASN A 54 -2.022 1.587 -3.265 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.330 0.869 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.819 2.422 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.481 3.550 -5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.440 0.512 -8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.838 1.110 -7.685 1.00 0.00 H new ATOM 923 N PRO A 55 1.591 1.941 -3.065 1.00 0.00 N ATOM 924 CA PRO A 55 2.881 2.402 -2.581 1.00 0.00 C ATOM 925 C PRO A 55 4.005 1.985 -3.531 1.00 0.00 C ATOM 926 O PRO A 55 3.763 1.728 -4.710 1.00 0.00 O ATOM 927 CB PRO A 55 3.020 1.795 -1.194 1.00 0.00 C ATOM 928 CG PRO A 55 2.024 0.648 -1.139 1.00 0.00 C ATOM 929 CD PRO A 55 1.077 0.796 -2.319 1.00 0.00 C ATOM 0 HA PRO A 55 2.949 3.489 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.036 1.439 -1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.808 2.534 -0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.542 -0.310 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.470 0.668 -0.200 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.066 -0.104 -2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.053 0.967 -1.986 1.00 0.00 H new ATOM 937 N GLU A 56 5.210 1.930 -2.983 1.00 0.00 N ATOM 938 CA GLU A 56 6.372 1.549 -3.768 1.00 0.00 C ATOM 939 C GLU A 56 7.362 0.765 -2.904 1.00 0.00 C ATOM 940 O GLU A 56 7.093 0.497 -1.734 1.00 0.00 O ATOM 941 CB GLU A 56 7.040 2.776 -4.391 1.00 0.00 C ATOM 942 CG GLU A 56 7.075 2.665 -5.917 1.00 0.00 C ATOM 943 CD GLU A 56 6.772 4.014 -6.572 1.00 0.00 C ATOM 944 OE1 GLU A 56 7.101 5.040 -5.937 1.00 0.00 O ATOM 945 OE2 GLU A 56 6.219 3.990 -7.692 1.00 0.00 O ATOM 0 H GLU A 56 5.407 2.143 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 56 6.040 0.905 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.498 3.676 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.055 2.877 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.056 2.313 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.347 1.924 -6.248 1.00 0.00 H new ATOM 952 N VAL A 57 8.487 0.420 -3.513 1.00 0.00 N ATOM 953 CA VAL A 57 9.518 -0.327 -2.814 1.00 0.00 C ATOM 954 C VAL A 57 10.593 0.641 -2.316 1.00 0.00 C ATOM 955 O VAL A 57 11.364 0.308 -1.417 1.00 0.00 O ATOM 956 CB VAL A 57 10.076 -1.425 -3.723 1.00 0.00 C ATOM 957 CG1 VAL A 57 11.428 -1.926 -3.210 1.00 0.00 C ATOM 958 CG2 VAL A 57 9.081 -2.578 -3.864 1.00 0.00 C ATOM 0 H VAL A 57 8.707 0.644 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 57 9.101 -0.828 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 57 10.232 -0.995 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.803 -2.705 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.137 -1.099 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.308 -2.331 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.502 -3.344 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.879 -3.006 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.152 -2.206 -4.296 1.00 0.00 H new ATOM 968 N LYS A 58 10.611 1.819 -2.922 1.00 0.00 N ATOM 969 CA LYS A 58 11.579 2.837 -2.551 1.00 0.00 C ATOM 970 C LYS A 58 11.401 4.058 -3.456 1.00 0.00 C ATOM 971 O LYS A 58 12.348 4.498 -4.105 1.00 0.00 O ATOM 972 CB LYS A 58 12.996 2.260 -2.568 1.00 0.00 C ATOM 973 CG LYS A 58 13.763 2.653 -1.304 1.00 0.00 C ATOM 974 CD LYS A 58 14.150 1.416 -0.491 1.00 0.00 C ATOM 975 CE LYS A 58 13.386 1.370 0.834 1.00 0.00 C ATOM 976 NZ LYS A 58 13.087 -0.029 1.212 1.00 0.00 N ATOM 0 H LYS A 58 9.970 2.091 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 58 11.408 3.171 -1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.949 1.174 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.529 2.621 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.660 3.209 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.150 3.317 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.938 0.516 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.222 1.425 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.976 1.846 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.458 1.935 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.644 -0.047 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.437 -0.446 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.970 -0.579 1.234 1.00 0.00 H new ATOM 990 N LYS A 59 10.179 4.571 -3.470 1.00 0.00 N ATOM 991 CA LYS A 59 9.864 5.732 -4.285 1.00 0.00 C ATOM 992 C LYS A 59 10.605 5.629 -5.620 1.00 0.00 C ATOM 993 O LYS A 59 11.724 6.121 -5.752 1.00 0.00 O ATOM 994 CB LYS A 59 10.159 7.021 -3.516 1.00 0.00 C ATOM 995 CG LYS A 59 8.868 7.780 -3.201 1.00 0.00 C ATOM 996 CD LYS A 59 8.067 8.051 -4.476 1.00 0.00 C ATOM 997 CE LYS A 59 7.628 9.515 -4.547 1.00 0.00 C ATOM 998 NZ LYS A 59 6.350 9.638 -5.282 1.00 0.00 N ATOM 0 H LYS A 59 9.396 4.204 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 59 8.798 5.760 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.681 6.784 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.824 7.655 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.263 7.202 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.107 8.723 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.672 7.806 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.191 7.403 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.515 9.916 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.397 10.108 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.067 10.638 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.469 9.274 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.614 9.088 -4.794 1.00 0.00 H new ATOM 1012 N SER A 60 9.950 4.985 -6.575 1.00 0.00 N ATOM 1013 CA SER A 60 10.532 4.811 -7.895 1.00 0.00 C ATOM 1014 C SER A 60 11.442 3.581 -7.907 1.00 0.00 C ATOM 1015 O SER A 60 11.531 2.860 -6.915 1.00 0.00 O ATOM 1016 CB SER A 60 11.315 6.055 -8.320 1.00 0.00 C ATOM 1017 OG SER A 60 12.698 5.952 -7.994 1.00 0.00 O ATOM 0 H SER A 60 9.022 4.577 -6.461 1.00 0.00 H new ATOM 0 HA SER A 60 9.722 4.663 -8.609 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.206 6.203 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.892 6.934 -7.833 1.00 0.00 H new ATOM 0 HG SER A 60 12.796 5.789 -7.033 1.00 0.00 H new ATOM 1023 N SER A 61 12.094 3.379 -9.043 1.00 0.00 N ATOM 1024 CA SER A 61 12.994 2.249 -9.198 1.00 0.00 C ATOM 1025 C SER A 61 12.189 0.957 -9.354 1.00 0.00 C ATOM 1026 O SER A 61 11.100 0.966 -9.926 1.00 0.00 O ATOM 1027 CB SER A 61 13.949 2.138 -8.008 1.00 0.00 C ATOM 1028 OG SER A 61 14.290 3.416 -7.476 1.00 0.00 O ATOM 0 H SER A 61 12.017 3.979 -9.864 1.00 0.00 H new ATOM 0 HA SER A 61 13.592 2.409 -10.095 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.488 1.532 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.857 1.621 -8.319 1.00 0.00 H new ATOM 0 HG SER A 61 14.900 3.302 -6.717 1.00 0.00 H new ATOM 1034 N TRP A 62 12.756 -0.122 -8.836 1.00 0.00 N ATOM 1035 CA TRP A 62 12.105 -1.419 -8.911 1.00 0.00 C ATOM 1036 C TRP A 62 10.786 -1.331 -8.142 1.00 0.00 C ATOM 1037 O TRP A 62 10.504 -0.320 -7.501 1.00 0.00 O ATOM 1038 CB TRP A 62 13.026 -2.526 -8.394 1.00 0.00 C ATOM 1039 CG TRP A 62 14.410 -2.539 -9.046 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.528 -1.933 -8.623 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.781 -3.221 -10.263 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.587 -2.172 -9.474 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.118 -2.981 -10.503 1.00 0.00 C ATOM 1044 CE3 TRP A 62 14.011 -4.014 -11.132 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.803 -3.497 -11.610 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.710 -4.523 -12.233 1.00 0.00 C ATOM 1047 CH2 TRP A 62 16.057 -4.290 -12.489 1.00 0.00 C ATOM 0 H TRP A 62 13.659 -0.125 -8.362 1.00 0.00 H new ATOM 0 HA TRP A 62 11.888 -1.682 -9.946 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.144 -2.412 -7.316 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.547 -3.491 -8.562 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.592 -1.332 -7.728 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.539 -1.820 -9.368 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.963 -4.215 -10.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.851 -3.294 -11.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.165 -5.140 -12.932 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.525 -4.719 -13.362 1.00 0.00 H new ATOM 1058 N THR A 63 10.013 -2.403 -8.231 1.00 0.00 N ATOM 1059 CA THR A 63 8.730 -2.460 -7.552 1.00 0.00 C ATOM 1060 C THR A 63 8.676 -3.667 -6.613 1.00 0.00 C ATOM 1061 O THR A 63 9.714 -4.187 -6.206 1.00 0.00 O ATOM 1062 CB THR A 63 7.631 -2.468 -8.616 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.818 -3.705 -9.298 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.854 -1.409 -9.697 1.00 0.00 C ATOM 0 H THR A 63 10.251 -3.240 -8.764 1.00 0.00 H new ATOM 0 HA THR A 63 8.580 -1.587 -6.917 1.00 0.00 H new ATOM 0 HB THR A 63 6.664 -2.302 -8.140 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.971 -3.987 -9.702 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.046 -1.458 -10.427 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.870 -0.420 -9.239 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.805 -1.593 -10.196 1.00 0.00 H new ATOM 1072 N GLU A 64 7.457 -4.077 -6.298 1.00 0.00 N ATOM 1073 CA GLU A 64 7.254 -5.213 -5.415 1.00 0.00 C ATOM 1074 C GLU A 64 7.434 -6.523 -6.185 1.00 0.00 C ATOM 1075 O GLU A 64 8.491 -7.148 -6.116 1.00 0.00 O ATOM 1076 CB GLU A 64 5.877 -5.153 -4.750 1.00 0.00 C ATOM 1077 CG GLU A 64 5.947 -4.417 -3.410 1.00 0.00 C ATOM 1078 CD GLU A 64 6.147 -5.400 -2.255 1.00 0.00 C ATOM 1079 OE1 GLU A 64 6.874 -6.393 -2.473 1.00 0.00 O ATOM 1080 OE2 GLU A 64 5.567 -5.137 -1.179 1.00 0.00 O ATOM 0 H GLU A 64 6.599 -3.643 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 64 8.004 -5.172 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.172 -4.648 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.500 -6.164 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.767 -3.699 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.030 -3.849 -3.254 1.00 0.00 H new ATOM 1087 N GLU A 65 6.385 -6.900 -6.901 1.00 0.00 N ATOM 1088 CA GLU A 65 6.413 -8.123 -7.684 1.00 0.00 C ATOM 1089 C GLU A 65 7.753 -8.257 -8.411 1.00 0.00 C ATOM 1090 O GLU A 65 8.258 -9.364 -8.590 1.00 0.00 O ATOM 1091 CB GLU A 65 5.246 -8.170 -8.672 1.00 0.00 C ATOM 1092 CG GLU A 65 4.814 -6.759 -9.078 1.00 0.00 C ATOM 1093 CD GLU A 65 4.456 -6.702 -10.564 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.313 -7.091 -10.888 1.00 0.00 O ATOM 1095 OE2 GLU A 65 5.334 -6.271 -11.343 1.00 0.00 O ATOM 0 H GLU A 65 5.510 -6.379 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 65 6.304 -8.968 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.537 -8.734 -9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.404 -8.696 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.955 -6.452 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.618 -6.054 -8.866 1.00 0.00 H new ATOM 1102 N GLU A 66 8.289 -7.114 -8.812 1.00 0.00 N ATOM 1103 CA GLU A 66 9.560 -7.089 -9.516 1.00 0.00 C ATOM 1104 C GLU A 66 10.678 -7.613 -8.611 1.00 0.00 C ATOM 1105 O GLU A 66 11.552 -8.351 -9.063 1.00 0.00 O ATOM 1106 CB GLU A 66 9.879 -5.681 -10.022 1.00 0.00 C ATOM 1107 CG GLU A 66 9.135 -5.386 -11.326 1.00 0.00 C ATOM 1108 CD GLU A 66 9.986 -4.522 -12.260 1.00 0.00 C ATOM 1109 OE1 GLU A 66 11.217 -4.735 -12.264 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.385 -3.669 -12.947 1.00 0.00 O ATOM 0 H GLU A 66 7.866 -6.198 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 66 9.485 -7.743 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.600 -4.947 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.953 -5.582 -10.181 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.880 -6.322 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.197 -4.875 -11.106 1.00 0.00 H new ATOM 1117 N ASP A 67 10.613 -7.210 -7.351 1.00 0.00 N ATOM 1118 CA ASP A 67 11.609 -7.629 -6.379 1.00 0.00 C ATOM 1119 C ASP A 67 11.481 -9.135 -6.142 1.00 0.00 C ATOM 1120 O ASP A 67 12.478 -9.856 -6.155 1.00 0.00 O ATOM 1121 CB ASP A 67 11.404 -6.921 -5.039 1.00 0.00 C ATOM 1122 CG ASP A 67 12.689 -6.592 -4.277 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.474 -7.539 -4.054 1.00 0.00 O ATOM 1124 OD2 ASP A 67 12.859 -5.402 -3.936 1.00 0.00 O ATOM 0 H ASP A 67 9.886 -6.598 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 67 12.593 -7.375 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.857 -5.995 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.775 -7.548 -4.407 1.00 0.00 H new ATOM 1129 N ARG A 68 10.246 -9.566 -5.932 1.00 0.00 N ATOM 1130 CA ARG A 68 9.975 -10.973 -5.692 1.00 0.00 C ATOM 1131 C ARG A 68 10.454 -11.815 -6.877 1.00 0.00 C ATOM 1132 O ARG A 68 11.338 -12.657 -6.727 1.00 0.00 O ATOM 1133 CB ARG A 68 8.481 -11.217 -5.472 1.00 0.00 C ATOM 1134 CG ARG A 68 7.944 -10.345 -4.335 1.00 0.00 C ATOM 1135 CD ARG A 68 7.986 -11.095 -3.003 1.00 0.00 C ATOM 1136 NE ARG A 68 9.364 -11.095 -2.464 1.00 0.00 N ATOM 1137 CZ ARG A 68 9.720 -11.677 -1.311 1.00 0.00 C ATOM 1138 NH1 ARG A 68 8.802 -12.309 -0.568 1.00 0.00 N ATOM 1139 NH2 ARG A 68 10.995 -11.627 -0.901 1.00 0.00 N ATOM 0 H ARG A 68 9.422 -8.965 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 68 10.515 -11.266 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.935 -11.001 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.311 -12.268 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.535 -9.432 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.920 -10.044 -4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.308 -10.625 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.641 -12.120 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 68 10.088 -10.622 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.832 -12.347 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.073 -12.752 0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.694 -11.146 -1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.266 -12.070 -0.023 1.00 0.00 H new ATOM 1153 N ILE A 69 9.848 -11.558 -8.027 1.00 0.00 N ATOM 1154 CA ILE A 69 10.201 -12.282 -9.236 1.00 0.00 C ATOM 1155 C ILE A 69 11.711 -12.530 -9.255 1.00 0.00 C ATOM 1156 O ILE A 69 12.159 -13.664 -9.089 1.00 0.00 O ATOM 1157 CB ILE A 69 9.684 -11.544 -10.473 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.156 -11.582 -10.535 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.324 -12.095 -11.748 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.632 -10.708 -11.676 1.00 0.00 C ATOM 0 H ILE A 69 9.115 -10.859 -8.147 1.00 0.00 H new ATOM 0 HA ILE A 69 9.717 -13.258 -9.250 1.00 0.00 H new ATOM 0 HB ILE A 69 9.977 -10.497 -10.393 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.820 -12.609 -10.675 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.741 -11.237 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.939 -11.553 -12.612 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.406 -11.972 -11.695 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.084 -13.154 -11.847 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.543 -10.753 -11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.950 -9.677 -11.520 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.029 -11.071 -12.624 1.00 0.00 H new ATOM 1172 N ILE A 70 12.453 -11.452 -9.458 1.00 0.00 N ATOM 1173 CA ILE A 70 13.903 -11.538 -9.500 1.00 0.00 C ATOM 1174 C ILE A 70 14.397 -12.344 -8.296 1.00 0.00 C ATOM 1175 O ILE A 70 15.175 -13.284 -8.451 1.00 0.00 O ATOM 1176 CB ILE A 70 14.520 -10.142 -9.600 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.942 -9.371 -10.788 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.047 -10.220 -9.657 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.736 -8.090 -11.049 1.00 0.00 C ATOM 0 H ILE A 70 12.077 -10.514 -9.595 1.00 0.00 H new ATOM 0 HA ILE A 70 14.227 -12.069 -10.395 1.00 0.00 H new ATOM 0 HB ILE A 70 14.259 -9.588 -8.698 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.958 -10.001 -11.677 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.899 -9.123 -10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.460 -9.214 -9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.421 -10.703 -8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.349 -10.799 -10.530 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.304 -7.561 -11.899 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.697 -7.452 -10.166 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.773 -8.343 -11.268 1.00 0.00 H new ATOM 1191 N PHE A 71 13.924 -11.946 -7.124 1.00 0.00 N ATOM 1192 CA PHE A 71 14.307 -12.619 -5.895 1.00 0.00 C ATOM 1193 C PHE A 71 13.924 -14.100 -5.938 1.00 0.00 C ATOM 1194 O PHE A 71 14.388 -14.889 -5.117 1.00 0.00 O ATOM 1195 CB PHE A 71 13.544 -11.940 -4.756 1.00 0.00 C ATOM 1196 CG PHE A 71 13.537 -12.737 -3.450 1.00 0.00 C ATOM 1197 CD1 PHE A 71 12.567 -13.663 -3.224 1.00 0.00 C ATOM 1198 CD2 PHE A 71 14.501 -12.520 -2.515 1.00 0.00 C ATOM 1199 CE1 PHE A 71 12.559 -14.403 -2.012 1.00 0.00 C ATOM 1200 CE2 PHE A 71 14.493 -13.260 -1.303 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.523 -14.185 -1.077 1.00 0.00 C ATOM 0 H PHE A 71 13.279 -11.166 -7.000 1.00 0.00 H new ATOM 0 HA PHE A 71 15.386 -12.554 -5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 71 13.985 -10.961 -4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.515 -11.771 -5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 71 11.802 -13.836 -3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.272 -11.785 -2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 71 11.788 -15.138 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.258 -13.088 -0.560 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.518 -14.747 -0.155 1.00 0.00 H new ATOM 1211 N GLU A 72 13.080 -14.432 -6.904 1.00 0.00 N ATOM 1212 CA GLU A 72 12.629 -15.804 -7.065 1.00 0.00 C ATOM 1213 C GLU A 72 12.901 -16.288 -8.491 1.00 0.00 C ATOM 1214 O GLU A 72 12.350 -17.300 -8.922 1.00 0.00 O ATOM 1215 CB GLU A 72 11.146 -15.938 -6.714 1.00 0.00 C ATOM 1216 CG GLU A 72 10.951 -16.073 -5.203 1.00 0.00 C ATOM 1217 CD GLU A 72 10.690 -17.529 -4.812 1.00 0.00 C ATOM 1218 OE1 GLU A 72 10.023 -18.221 -5.612 1.00 0.00 O ATOM 1219 OE2 GLU A 72 11.162 -17.917 -3.721 1.00 0.00 O ATOM 0 H GLU A 72 12.697 -13.775 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 72 13.190 -16.434 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.602 -15.066 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.727 -16.809 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.837 -15.707 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.115 -15.451 -4.884 1.00 0.00 H new ATOM 1226 N ALA A 73 13.751 -15.543 -9.183 1.00 0.00 N ATOM 1227 CA ALA A 73 14.102 -15.884 -10.551 1.00 0.00 C ATOM 1228 C ALA A 73 15.610 -16.127 -10.640 1.00 0.00 C ATOM 1229 O ALA A 73 16.103 -16.628 -11.649 1.00 0.00 O ATOM 1230 CB ALA A 73 13.635 -14.771 -11.491 1.00 0.00 C ATOM 0 H ALA A 73 14.207 -14.705 -8.822 1.00 0.00 H new ATOM 0 HA ALA A 73 13.601 -16.802 -10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.898 -15.027 -12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.554 -14.657 -11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.120 -13.834 -11.215 1.00 0.00 H new ATOM 1236 N HIS A 74 16.301 -15.761 -9.570 1.00 0.00 N ATOM 1237 CA HIS A 74 17.742 -15.933 -9.515 1.00 0.00 C ATOM 1238 C HIS A 74 18.073 -17.322 -8.965 1.00 0.00 C ATOM 1239 O HIS A 74 19.144 -17.862 -9.235 1.00 0.00 O ATOM 1240 CB HIS A 74 18.393 -14.806 -8.709 1.00 0.00 C ATOM 1241 CG HIS A 74 19.869 -14.634 -8.977 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.845 -15.003 -8.067 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.526 -14.130 -10.061 1.00 0.00 C ATOM 1244 CE1 HIS A 74 22.030 -14.727 -8.590 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.831 -14.186 -9.826 1.00 0.00 N ATOM 0 H HIS A 74 15.889 -15.346 -8.734 1.00 0.00 H new ATOM 0 HA HIS A 74 18.158 -15.870 -10.521 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.882 -13.870 -8.934 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.247 -15.002 -7.647 1.00 0.00 H new ATOM 0 HD1 HIS A 74 20.679 -15.417 -7.150 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.062 -13.750 -10.959 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.987 -14.900 -8.120 1.00 0.00 H new ATOM 1253 N LYS A 75 17.132 -17.860 -8.203 1.00 0.00 N ATOM 1254 CA LYS A 75 17.310 -19.176 -7.612 1.00 0.00 C ATOM 1255 C LYS A 75 16.633 -20.224 -8.499 1.00 0.00 C ATOM 1256 O LYS A 75 16.466 -21.372 -8.091 1.00 0.00 O ATOM 1257 CB LYS A 75 16.816 -19.185 -6.164 1.00 0.00 C ATOM 1258 CG LYS A 75 15.498 -18.420 -6.030 1.00 0.00 C ATOM 1259 CD LYS A 75 14.779 -18.791 -4.731 1.00 0.00 C ATOM 1260 CE LYS A 75 14.482 -17.545 -3.893 1.00 0.00 C ATOM 1261 NZ LYS A 75 14.252 -17.915 -2.479 1.00 0.00 N ATOM 0 H LYS A 75 16.244 -17.409 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 75 18.368 -19.432 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.680 -20.213 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 75 17.569 -18.736 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.692 -17.348 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.856 -18.643 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.848 -19.309 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.394 -19.483 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.316 -16.846 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.604 -17.034 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.052 -17.058 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.442 -18.564 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.100 -18.383 -2.100 1.00 0.00 H new ATOM 1275 N VAL A 76 16.263 -19.790 -9.695 1.00 0.00 N ATOM 1276 CA VAL A 76 15.608 -20.676 -10.642 1.00 0.00 C ATOM 1277 C VAL A 76 16.513 -20.870 -11.861 1.00 0.00 C ATOM 1278 O VAL A 76 16.509 -21.934 -12.478 1.00 0.00 O ATOM 1279 CB VAL A 76 14.227 -20.126 -11.005 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.298 -21.247 -11.476 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.614 -19.364 -9.828 1.00 0.00 C ATOM 0 H VAL A 76 16.404 -18.837 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 76 15.445 -21.658 -10.197 1.00 0.00 H new ATOM 0 HB VAL A 76 14.351 -19.424 -11.830 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.323 -20.830 -11.728 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.725 -21.728 -12.356 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.183 -21.983 -10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.633 -18.983 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.510 -20.035 -8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.262 -18.530 -9.557 1.00 0.00 H new ATOM 1291 N LEU A 77 17.267 -19.826 -12.171 1.00 0.00 N ATOM 1292 CA LEU A 77 18.175 -19.868 -13.304 1.00 0.00 C ATOM 1293 C LEU A 77 19.611 -19.681 -12.810 1.00 0.00 C ATOM 1294 O LEU A 77 20.379 -20.639 -12.746 1.00 0.00 O ATOM 1295 CB LEU A 77 17.753 -18.852 -14.367 1.00 0.00 C ATOM 1296 CG LEU A 77 16.247 -18.647 -14.539 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.842 -17.217 -14.177 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.800 -19.029 -15.952 1.00 0.00 C ATOM 0 H LEU A 77 17.268 -18.945 -11.657 1.00 0.00 H new ATOM 0 HA LEU A 77 18.130 -20.842 -13.791 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.205 -17.891 -14.122 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.169 -19.164 -15.325 1.00 0.00 H new ATOM 0 HG LEU A 77 15.731 -19.312 -13.846 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.766 -17.099 -14.308 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.105 -17.016 -13.138 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.366 -16.515 -14.826 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.725 -18.874 -16.048 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.323 -18.408 -16.679 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.033 -20.078 -16.136 1.00 0.00 H new ATOM 1310 N GLY A 78 19.929 -18.440 -12.472 1.00 0.00 N ATOM 1311 CA GLY A 78 21.259 -18.115 -11.985 1.00 0.00 C ATOM 1312 C GLY A 78 21.835 -16.908 -12.728 1.00 0.00 C ATOM 1313 O GLY A 78 22.158 -16.999 -13.912 1.00 0.00 O ATOM 0 H GLY A 78 19.289 -17.648 -12.526 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.217 -17.903 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.917 -18.974 -12.114 1.00 0.00 H new ATOM 1317 N ASN A 79 21.947 -15.805 -12.003 1.00 0.00 N ATOM 1318 CA ASN A 79 22.479 -14.581 -12.579 1.00 0.00 C ATOM 1319 C ASN A 79 22.021 -14.467 -14.034 1.00 0.00 C ATOM 1320 O ASN A 79 22.732 -13.910 -14.870 1.00 0.00 O ATOM 1321 CB ASN A 79 24.009 -14.585 -12.563 1.00 0.00 C ATOM 1322 CG ASN A 79 24.553 -16.008 -12.432 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.466 -16.819 -13.339 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.116 -16.266 -11.255 1.00 0.00 N ATOM 0 H ASN A 79 21.678 -15.733 -11.022 1.00 0.00 H new ATOM 0 HA ASN A 79 22.115 -13.742 -11.986 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.387 -14.131 -13.479 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.369 -13.977 -11.733 1.00 0.00 H new ATOM 0 HD21 ASN A 79 25.508 -17.189 -11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.156 -15.541 -10.539 1.00 0.00 H new ATOM 1331 N ARG A 80 20.838 -15.004 -14.293 1.00 0.00 N ATOM 1332 CA ARG A 80 20.278 -14.969 -15.633 1.00 0.00 C ATOM 1333 C ARG A 80 19.586 -13.627 -15.885 1.00 0.00 C ATOM 1334 O ARG A 80 18.453 -13.589 -16.361 1.00 0.00 O ATOM 1335 CB ARG A 80 19.269 -16.101 -15.838 1.00 0.00 C ATOM 1336 CG ARG A 80 19.859 -17.210 -16.711 1.00 0.00 C ATOM 1337 CD ARG A 80 20.433 -18.338 -15.852 1.00 0.00 C ATOM 1338 NE ARG A 80 20.102 -19.650 -16.451 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.797 -20.774 -16.230 1.00 0.00 C ATOM 1340 NH1 ARG A 80 21.866 -20.753 -15.422 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.423 -21.919 -16.816 1.00 0.00 N ATOM 0 H ARG A 80 20.252 -15.466 -13.598 1.00 0.00 H new ATOM 0 HA ARG A 80 21.099 -15.097 -16.339 1.00 0.00 H new ATOM 0 HB2 ARG A 80 18.976 -16.511 -14.872 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.366 -15.708 -16.304 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.088 -17.607 -17.371 1.00 0.00 H new ATOM 0 HG3 ARG A 80 20.642 -16.798 -17.348 1.00 0.00 H new ATOM 0 HD2 ARG A 80 21.514 -18.229 -15.770 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.029 -18.278 -14.841 1.00 0.00 H new ATOM 0 HE ARG A 80 19.294 -19.702 -17.071 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.151 -19.881 -14.975 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.395 -21.609 -15.254 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.609 -21.935 -17.431 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.952 -22.775 -16.648 1.00 0.00 H new ATOM 1355 N TRP A 81 20.298 -12.560 -15.553 1.00 0.00 N ATOM 1356 CA TRP A 81 19.767 -11.220 -15.737 1.00 0.00 C ATOM 1357 C TRP A 81 19.271 -11.101 -17.180 1.00 0.00 C ATOM 1358 O TRP A 81 18.255 -10.460 -17.441 1.00 0.00 O ATOM 1359 CB TRP A 81 20.811 -10.162 -15.375 1.00 0.00 C ATOM 1360 CG TRP A 81 21.761 -10.584 -14.253 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.093 -10.725 -14.309 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.396 -10.916 -12.897 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.611 -11.122 -13.093 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.546 -11.242 -12.207 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.136 -10.941 -12.273 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.551 -11.616 -10.858 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.158 -11.316 -10.925 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.307 -11.647 -10.216 1.00 0.00 C ATOM 0 H TRP A 81 21.238 -12.596 -15.158 1.00 0.00 H new ATOM 0 HA TRP A 81 18.927 -11.043 -15.065 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.397 -9.925 -16.263 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.298 -9.247 -15.078 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.686 -10.550 -15.194 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.594 -11.295 -12.883 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.223 -10.691 -12.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.465 -11.867 -10.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.216 -11.351 -10.398 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.240 -11.927 -9.175 1.00 0.00 H new ATOM 1379 N ALA A 82 20.013 -11.730 -18.080 1.00 0.00 N ATOM 1380 CA ALA A 82 19.662 -11.704 -19.490 1.00 0.00 C ATOM 1381 C ALA A 82 18.259 -12.285 -19.673 1.00 0.00 C ATOM 1382 O ALA A 82 17.614 -12.051 -20.694 1.00 0.00 O ATOM 1383 CB ALA A 82 20.718 -12.466 -20.294 1.00 0.00 C ATOM 0 H ALA A 82 20.856 -12.261 -17.860 1.00 0.00 H new ATOM 0 HA ALA A 82 19.646 -10.680 -19.862 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.454 -12.446 -21.351 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.691 -11.996 -20.154 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.761 -13.499 -19.950 1.00 0.00 H new ATOM 1389 N GLU A 83 17.826 -13.031 -18.667 1.00 0.00 N ATOM 1390 CA GLU A 83 16.511 -13.647 -18.704 1.00 0.00 C ATOM 1391 C GLU A 83 15.581 -12.975 -17.692 1.00 0.00 C ATOM 1392 O GLU A 83 14.390 -12.811 -17.951 1.00 0.00 O ATOM 1393 CB GLU A 83 16.604 -15.153 -18.448 1.00 0.00 C ATOM 1394 CG GLU A 83 16.155 -15.495 -17.026 1.00 0.00 C ATOM 1395 CD GLU A 83 14.629 -15.459 -16.908 1.00 0.00 C ATOM 1396 OE1 GLU A 83 13.985 -16.241 -17.640 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.142 -14.650 -16.090 1.00 0.00 O ATOM 0 H GLU A 83 18.363 -13.223 -17.821 1.00 0.00 H new ATOM 0 HA GLU A 83 16.093 -13.506 -19.701 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.984 -15.687 -19.168 1.00 0.00 H new ATOM 0 HB3 GLU A 83 17.630 -15.489 -18.600 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.521 -16.485 -16.754 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.594 -14.788 -16.322 1.00 0.00 H new ATOM 1404 N ILE A 84 16.161 -12.603 -16.560 1.00 0.00 N ATOM 1405 CA ILE A 84 15.399 -11.952 -15.508 1.00 0.00 C ATOM 1406 C ILE A 84 14.687 -10.726 -16.083 1.00 0.00 C ATOM 1407 O ILE A 84 13.472 -10.590 -15.949 1.00 0.00 O ATOM 1408 CB ILE A 84 16.299 -11.635 -14.312 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.973 -12.903 -13.781 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.521 -10.900 -13.219 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.091 -13.599 -12.743 1.00 0.00 C ATOM 0 H ILE A 84 17.149 -12.740 -16.349 1.00 0.00 H new ATOM 0 HA ILE A 84 14.627 -12.621 -15.128 1.00 0.00 H new ATOM 0 HB ILE A 84 17.091 -10.966 -14.649 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.176 -13.585 -14.607 1.00 0.00 H new ATOM 0 HG13 ILE A 84 17.934 -12.649 -13.335 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.184 -10.687 -12.381 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.129 -9.965 -13.618 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.695 -11.524 -12.878 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.593 -14.497 -12.382 1.00 0.00 H new ATOM 0 HD12 ILE A 84 15.910 -12.923 -11.907 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.140 -13.874 -13.199 1.00 0.00 H new ATOM 1423 N ALA A 85 15.474 -9.866 -16.712 1.00 0.00 N ATOM 1424 CA ALA A 85 14.934 -8.656 -17.309 1.00 0.00 C ATOM 1425 C ALA A 85 13.888 -9.034 -18.360 1.00 0.00 C ATOM 1426 O ALA A 85 12.859 -8.371 -18.484 1.00 0.00 O ATOM 1427 CB ALA A 85 16.075 -7.822 -17.894 1.00 0.00 C ATOM 0 H ALA A 85 16.481 -9.983 -16.821 1.00 0.00 H new ATOM 0 HA ALA A 85 14.437 -8.045 -16.556 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.670 -6.915 -18.342 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.774 -7.555 -17.101 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.596 -8.402 -18.656 1.00 0.00 H new ATOM 1433 N LYS A 86 14.188 -10.097 -19.091 1.00 0.00 N ATOM 1434 CA LYS A 86 13.288 -10.571 -20.128 1.00 0.00 C ATOM 1435 C LYS A 86 11.974 -11.025 -19.488 1.00 0.00 C ATOM 1436 O LYS A 86 10.907 -10.876 -20.081 1.00 0.00 O ATOM 1437 CB LYS A 86 13.965 -11.651 -20.974 1.00 0.00 C ATOM 1438 CG LYS A 86 14.964 -11.033 -21.955 1.00 0.00 C ATOM 1439 CD LYS A 86 15.577 -12.103 -22.860 1.00 0.00 C ATOM 1440 CE LYS A 86 14.892 -12.123 -24.228 1.00 0.00 C ATOM 1441 NZ LYS A 86 14.068 -13.343 -24.377 1.00 0.00 N ATOM 0 H LYS A 86 15.042 -10.644 -18.986 1.00 0.00 H new ATOM 0 HA LYS A 86 13.045 -9.764 -20.819 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.479 -12.359 -20.323 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.210 -12.214 -21.524 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.463 -10.280 -22.564 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.753 -10.523 -21.403 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.643 -11.911 -22.986 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.483 -13.081 -22.388 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.266 -11.238 -24.341 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.642 -12.085 -25.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.610 -13.341 -25.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.674 -14.184 -24.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.340 -13.363 -23.635 1.00 0.00 H new ATOM 1455 N LEU A 87 12.096 -11.570 -18.287 1.00 0.00 N ATOM 1456 CA LEU A 87 10.931 -12.047 -17.560 1.00 0.00 C ATOM 1457 C LEU A 87 10.284 -10.875 -16.818 1.00 0.00 C ATOM 1458 O LEU A 87 9.352 -11.069 -16.039 1.00 0.00 O ATOM 1459 CB LEU A 87 11.310 -13.217 -16.650 1.00 0.00 C ATOM 1460 CG LEU A 87 11.239 -14.608 -17.282 1.00 0.00 C ATOM 1461 CD1 LEU A 87 9.827 -15.187 -17.176 1.00 0.00 C ATOM 1462 CD2 LEU A 87 11.741 -14.580 -18.727 1.00 0.00 C ATOM 0 H LEU A 87 12.983 -11.692 -17.799 1.00 0.00 H new ATOM 0 HA LEU A 87 10.184 -12.439 -18.251 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.325 -13.056 -16.288 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.655 -13.201 -15.779 1.00 0.00 H new ATOM 0 HG LEU A 87 11.901 -15.271 -16.725 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.804 -16.176 -17.633 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.544 -15.265 -16.126 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.126 -14.532 -17.693 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.680 -15.581 -19.153 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.125 -13.898 -19.313 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.777 -14.240 -18.746 1.00 0.00 H new ATOM 1474 N LEU A 88 10.802 -9.686 -17.088 1.00 0.00 N ATOM 1475 CA LEU A 88 10.286 -8.484 -16.456 1.00 0.00 C ATOM 1476 C LEU A 88 9.493 -7.673 -17.483 1.00 0.00 C ATOM 1477 O LEU A 88 9.646 -7.872 -18.687 1.00 0.00 O ATOM 1478 CB LEU A 88 11.420 -7.698 -15.794 1.00 0.00 C ATOM 1479 CG LEU A 88 11.876 -8.204 -14.424 1.00 0.00 C ATOM 1480 CD1 LEU A 88 13.311 -7.762 -14.127 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.903 -7.768 -13.327 1.00 0.00 C ATOM 0 H LEU A 88 11.574 -9.529 -17.736 1.00 0.00 H new ATOM 0 HA LEU A 88 9.596 -8.742 -15.652 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.279 -7.703 -16.465 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.103 -6.660 -15.689 1.00 0.00 H new ATOM 0 HG LEU A 88 11.872 -9.294 -14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.611 -8.134 -13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.980 -8.163 -14.888 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.365 -6.673 -14.133 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.250 -8.141 -12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.851 -6.680 -13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.913 -8.173 -13.537 1.00 0.00 H new ATOM 1493 N PRO A 89 8.641 -6.754 -16.956 1.00 0.00 N ATOM 1494 CA PRO A 89 7.824 -5.912 -17.814 1.00 0.00 C ATOM 1495 C PRO A 89 8.665 -4.812 -18.464 1.00 0.00 C ATOM 1496 O PRO A 89 8.163 -4.045 -19.285 1.00 0.00 O ATOM 1497 CB PRO A 89 6.733 -5.368 -16.907 1.00 0.00 C ATOM 1498 CG PRO A 89 7.243 -5.549 -15.486 1.00 0.00 C ATOM 1499 CD PRO A 89 8.434 -6.491 -15.535 1.00 0.00 C ATOM 0 HA PRO A 89 7.391 -6.459 -18.652 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.536 -4.317 -17.120 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.796 -5.905 -17.057 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.533 -4.589 -15.059 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.459 -5.958 -14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.316 -6.037 -15.084 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.233 -7.412 -14.987 1.00 0.00 H new ATOM 1507 N GLY A 90 9.930 -4.768 -18.072 1.00 0.00 N ATOM 1508 CA GLY A 90 10.846 -3.774 -18.607 1.00 0.00 C ATOM 1509 C GLY A 90 12.272 -4.019 -18.110 1.00 0.00 C ATOM 1510 O GLY A 90 12.758 -5.149 -18.139 1.00 0.00 O ATOM 0 H GLY A 90 10.342 -5.405 -17.390 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.826 -3.805 -19.696 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.520 -2.777 -18.311 1.00 0.00 H new ATOM 1514 N ARG A 91 12.902 -2.942 -17.666 1.00 0.00 N ATOM 1515 CA ARG A 91 14.263 -3.025 -17.163 1.00 0.00 C ATOM 1516 C ARG A 91 15.140 -3.818 -18.135 1.00 0.00 C ATOM 1517 O ARG A 91 14.688 -4.204 -19.211 1.00 0.00 O ATOM 1518 CB ARG A 91 14.303 -3.696 -15.788 1.00 0.00 C ATOM 1519 CG ARG A 91 13.592 -2.838 -14.740 1.00 0.00 C ATOM 1520 CD ARG A 91 14.429 -1.610 -14.376 1.00 0.00 C ATOM 1521 NE ARG A 91 13.647 -0.704 -13.506 1.00 0.00 N ATOM 1522 CZ ARG A 91 12.652 0.082 -13.940 1.00 0.00 C ATOM 1523 NH1 ARG A 91 12.312 0.078 -15.237 1.00 0.00 N ATOM 1524 NH2 ARG A 91 11.998 0.872 -13.079 1.00 0.00 N ATOM 0 H ARG A 91 12.495 -2.007 -17.644 1.00 0.00 H new ATOM 0 HA ARG A 91 14.644 -2.008 -17.069 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.829 -4.676 -15.843 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.338 -3.859 -15.489 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.622 -2.521 -15.122 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.404 -3.432 -13.846 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.341 -1.920 -13.866 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.733 -1.085 -15.282 1.00 0.00 H new ATOM 0 HE ARG A 91 13.880 -0.676 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.811 -0.523 -15.893 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.555 0.676 -15.568 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.257 0.876 -12.092 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.241 1.470 -13.410 1.00 0.00 H new ATOM 1538 N THR A 92 16.379 -4.037 -17.719 1.00 0.00 N ATOM 1539 CA THR A 92 17.323 -4.777 -18.539 1.00 0.00 C ATOM 1540 C THR A 92 18.146 -5.734 -17.674 1.00 0.00 C ATOM 1541 O THR A 92 17.876 -5.888 -16.484 1.00 0.00 O ATOM 1542 CB THR A 92 18.177 -3.765 -19.307 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.448 -2.744 -18.351 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.389 -3.048 -20.405 1.00 0.00 C ATOM 0 H THR A 92 16.751 -3.715 -16.825 1.00 0.00 H new ATOM 0 HA THR A 92 16.808 -5.407 -19.264 1.00 0.00 H new ATOM 0 HB THR A 92 19.034 -4.274 -19.749 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.999 -2.047 -18.764 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.041 -2.342 -20.919 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.012 -3.780 -21.120 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.551 -2.511 -19.960 1.00 0.00 H new ATOM 1552 N ASP A 93 19.133 -6.352 -18.306 1.00 0.00 N ATOM 1553 CA ASP A 93 19.997 -7.289 -17.609 1.00 0.00 C ATOM 1554 C ASP A 93 21.016 -6.512 -16.773 1.00 0.00 C ATOM 1555 O ASP A 93 21.412 -6.960 -15.698 1.00 0.00 O ATOM 1556 CB ASP A 93 20.767 -8.168 -18.597 1.00 0.00 C ATOM 1557 CG ASP A 93 21.550 -7.404 -19.667 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.893 -6.925 -20.617 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.787 -7.318 -19.512 1.00 0.00 O ATOM 0 H ASP A 93 19.353 -6.222 -19.293 1.00 0.00 H new ATOM 0 HA ASP A 93 19.371 -7.920 -16.978 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.462 -8.795 -18.038 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.062 -8.836 -19.092 1.00 0.00 H new ATOM 1564 N ASN A 94 21.411 -5.362 -17.299 1.00 0.00 N ATOM 1565 CA ASN A 94 22.377 -4.519 -16.615 1.00 0.00 C ATOM 1566 C ASN A 94 21.709 -3.866 -15.403 1.00 0.00 C ATOM 1567 O ASN A 94 22.387 -3.455 -14.463 1.00 0.00 O ATOM 1568 CB ASN A 94 22.883 -3.405 -17.533 1.00 0.00 C ATOM 1569 CG ASN A 94 23.071 -2.099 -16.758 1.00 0.00 C ATOM 1570 OD1 ASN A 94 24.057 -1.890 -16.071 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.072 -1.234 -16.907 1.00 0.00 N ATOM 0 H ASN A 94 21.080 -4.994 -18.191 1.00 0.00 H new ATOM 0 HA ASN A 94 23.216 -5.145 -16.311 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.829 -3.703 -17.985 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.175 -3.250 -18.347 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.103 -0.332 -16.431 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.275 -1.472 -17.497 1.00 0.00 H new ATOM 1578 N ALA A 95 20.387 -3.791 -15.465 1.00 0.00 N ATOM 1579 CA ALA A 95 19.620 -3.195 -14.385 1.00 0.00 C ATOM 1580 C ALA A 95 19.505 -4.196 -13.234 1.00 0.00 C ATOM 1581 O ALA A 95 19.971 -3.931 -12.126 1.00 0.00 O ATOM 1582 CB ALA A 95 18.253 -2.753 -14.912 1.00 0.00 C ATOM 0 H ALA A 95 19.828 -4.133 -16.247 1.00 0.00 H new ATOM 0 HA ALA A 95 20.124 -2.308 -14.001 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.678 -2.306 -14.101 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.389 -2.020 -15.707 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.717 -3.618 -15.303 1.00 0.00 H new ATOM 1588 N VAL A 96 18.883 -5.327 -13.535 1.00 0.00 N ATOM 1589 CA VAL A 96 18.701 -6.369 -12.539 1.00 0.00 C ATOM 1590 C VAL A 96 20.062 -6.756 -11.957 1.00 0.00 C ATOM 1591 O VAL A 96 20.288 -6.620 -10.756 1.00 0.00 O ATOM 1592 CB VAL A 96 17.955 -7.555 -13.153 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.802 -8.691 -12.140 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.593 -7.122 -13.701 1.00 0.00 C ATOM 0 H VAL A 96 18.499 -5.544 -14.455 1.00 0.00 H new ATOM 0 HA VAL A 96 18.086 -6.006 -11.715 1.00 0.00 H new ATOM 0 HB VAL A 96 18.549 -7.928 -13.987 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.268 -9.521 -12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.788 -9.027 -11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.241 -8.335 -11.276 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.083 -7.984 -14.132 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.989 -6.711 -12.892 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.735 -6.363 -14.470 1.00 0.00 H new ATOM 1604 N LYS A 97 20.933 -7.229 -12.836 1.00 0.00 N ATOM 1605 CA LYS A 97 22.265 -7.636 -12.425 1.00 0.00 C ATOM 1606 C LYS A 97 22.770 -6.687 -11.336 1.00 0.00 C ATOM 1607 O LYS A 97 23.200 -7.131 -10.272 1.00 0.00 O ATOM 1608 CB LYS A 97 23.194 -7.731 -13.637 1.00 0.00 C ATOM 1609 CG LYS A 97 24.600 -8.167 -13.217 1.00 0.00 C ATOM 1610 CD LYS A 97 25.491 -8.394 -14.439 1.00 0.00 C ATOM 1611 CE LYS A 97 25.852 -7.067 -15.109 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.269 -6.724 -14.852 1.00 0.00 N ATOM 0 H LYS A 97 20.742 -7.339 -13.832 1.00 0.00 H new ATOM 0 HA LYS A 97 22.241 -8.636 -11.992 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.788 -8.443 -14.356 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.244 -6.764 -14.138 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.044 -7.406 -12.575 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.540 -9.084 -12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.401 -8.913 -14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.978 -9.038 -15.153 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.678 -7.136 -16.183 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.206 -6.275 -14.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.497 -5.821 -15.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.425 -6.638 -13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.882 -7.472 -15.234 1.00 0.00 H new ATOM 1626 N ASN A 98 22.702 -5.400 -11.639 1.00 0.00 N ATOM 1627 CA ASN A 98 23.147 -4.385 -10.700 1.00 0.00 C ATOM 1628 C ASN A 98 22.237 -4.401 -9.469 1.00 0.00 C ATOM 1629 O ASN A 98 22.714 -4.527 -8.342 1.00 0.00 O ATOM 1630 CB ASN A 98 23.075 -2.989 -11.322 1.00 0.00 C ATOM 1631 CG ASN A 98 24.140 -2.067 -10.725 1.00 0.00 C ATOM 1632 OD1 ASN A 98 24.075 -1.663 -9.576 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.122 -1.758 -11.567 1.00 0.00 N ATOM 0 H ASN A 98 22.345 -5.036 -12.523 1.00 0.00 H new ATOM 0 HA ASN A 98 24.179 -4.606 -10.429 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.214 -3.060 -12.401 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.086 -2.563 -11.155 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.881 -1.148 -11.263 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.116 -2.131 -12.516 1.00 0.00 H new ATOM 1640 N HIS A 99 20.944 -4.273 -9.727 1.00 0.00 N ATOM 1641 CA HIS A 99 19.964 -4.272 -8.655 1.00 0.00 C ATOM 1642 C HIS A 99 20.275 -5.403 -7.673 1.00 0.00 C ATOM 1643 O HIS A 99 19.920 -5.326 -6.498 1.00 0.00 O ATOM 1644 CB HIS A 99 18.543 -4.349 -9.217 1.00 0.00 C ATOM 1645 CG HIS A 99 17.463 -4.346 -8.161 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.231 -4.930 -8.145 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.597 -3.682 -6.954 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.645 -4.641 -6.990 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.490 -3.867 -6.250 1.00 0.00 N flip ATOM 0 H HIS A 99 20.552 -4.169 -10.663 1.00 0.00 H new ATOM 0 HA HIS A 99 20.024 -3.333 -8.104 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.383 -3.505 -9.888 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.449 -5.255 -9.816 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.458 -3.110 -6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.661 -4.965 -6.686 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.303 -3.496 -5.319 1.00 0.00 H new ATOM 1657 N TRP A 100 20.935 -6.428 -8.192 1.00 0.00 N ATOM 1658 CA TRP A 100 21.298 -7.575 -7.377 1.00 0.00 C ATOM 1659 C TRP A 100 22.272 -7.097 -6.297 1.00 0.00 C ATOM 1660 O TRP A 100 21.924 -7.053 -5.118 1.00 0.00 O ATOM 1661 CB TRP A 100 21.868 -8.703 -8.239 1.00 0.00 C ATOM 1662 CG TRP A 100 21.600 -10.104 -7.687 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.483 -11.089 -7.473 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.322 -10.640 -7.284 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.870 -12.216 -6.964 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.514 -11.934 -6.846 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.045 -10.050 -7.290 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.474 -12.748 -6.381 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.017 -10.877 -6.823 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.194 -12.182 -6.378 1.00 0.00 C ATOM 0 H TRP A 100 21.228 -6.488 -9.167 1.00 0.00 H new ATOM 0 HA TRP A 100 20.418 -7.997 -6.891 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.444 -8.631 -9.240 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.944 -8.562 -8.338 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.541 -11.011 -7.674 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.328 -13.094 -6.719 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.872 -9.039 -7.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.650 -13.758 -6.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.016 -10.473 -6.807 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.348 -12.756 -6.032 1.00 0.00 H new ATOM 1681 N ASN A 101 23.472 -6.753 -6.739 1.00 0.00 N ATOM 1682 CA ASN A 101 24.499 -6.280 -5.825 1.00 0.00 C ATOM 1683 C ASN A 101 24.080 -4.926 -5.251 1.00 0.00 C ATOM 1684 O ASN A 101 24.759 -4.378 -4.383 1.00 0.00 O ATOM 1685 CB ASN A 101 25.835 -6.095 -6.546 1.00 0.00 C ATOM 1686 CG ASN A 101 26.446 -7.446 -6.926 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.837 -8.238 -6.084 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.505 -7.663 -8.237 1.00 0.00 N ATOM 0 H ASN A 101 23.757 -6.792 -7.718 1.00 0.00 H new ATOM 0 HA ASN A 101 24.615 -7.022 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.688 -5.493 -7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.525 -5.547 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.896 -8.536 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.159 -6.957 -8.887 1.00 0.00 H new ATOM 1695 N SER A 102 22.963 -4.424 -5.757 1.00 0.00 N ATOM 1696 CA SER A 102 22.446 -3.143 -5.305 1.00 0.00 C ATOM 1697 C SER A 102 21.884 -3.277 -3.888 1.00 0.00 C ATOM 1698 O SER A 102 22.546 -2.913 -2.918 1.00 0.00 O ATOM 1699 CB SER A 102 21.368 -2.618 -6.256 1.00 0.00 C ATOM 1700 OG SER A 102 21.879 -2.386 -7.566 1.00 0.00 O ATOM 0 H SER A 102 22.402 -4.881 -6.476 1.00 0.00 H new ATOM 0 HA SER A 102 23.267 -2.426 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.550 -3.336 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.954 -1.691 -5.859 1.00 0.00 H new ATOM 0 HG SER A 102 22.694 -2.914 -7.697 1.00 0.00 H new ATOM 1706 N THR A 103 20.669 -3.799 -3.815 1.00 0.00 N ATOM 1707 CA THR A 103 20.011 -3.985 -2.533 1.00 0.00 C ATOM 1708 C THR A 103 19.613 -5.451 -2.345 1.00 0.00 C ATOM 1709 O THR A 103 19.273 -5.868 -1.239 1.00 0.00 O ATOM 1710 CB THR A 103 18.825 -3.021 -2.466 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.405 -1.785 -2.057 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.852 -3.366 -1.336 1.00 0.00 C ATOM 0 H THR A 103 20.123 -4.099 -4.623 1.00 0.00 H new ATOM 0 HA THR A 103 20.683 -3.755 -1.707 1.00 0.00 H new ATOM 0 HB THR A 103 18.295 -3.032 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.706 -1.102 -1.990 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.029 -2.651 -1.333 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.459 -4.371 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.374 -3.322 -0.380 1.00 0.00 H new ATOM 1720 N ILE A 104 19.670 -6.191 -3.442 1.00 0.00 N ATOM 1721 CA ILE A 104 19.320 -7.601 -3.412 1.00 0.00 C ATOM 1722 C ILE A 104 20.580 -8.429 -3.152 1.00 0.00 C ATOM 1723 O ILE A 104 20.717 -9.537 -3.669 1.00 0.00 O ATOM 1724 CB ILE A 104 18.577 -7.996 -4.690 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.698 -6.849 -5.190 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.777 -9.284 -4.483 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.174 -7.133 -6.599 1.00 0.00 C ATOM 0 H ILE A 104 19.953 -5.841 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 104 18.629 -7.805 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 104 19.315 -8.197 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.859 -6.705 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.270 -5.921 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.258 -9.543 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.454 -10.093 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.048 -9.135 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.552 -6.302 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.015 -7.252 -7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.582 -8.048 -6.589 1.00 0.00 H new ATOM 1739 N LYS A 105 21.469 -7.860 -2.351 1.00 0.00 N ATOM 1740 CA LYS A 105 22.713 -8.532 -2.016 1.00 0.00 C ATOM 1741 C LYS A 105 23.162 -8.097 -0.619 1.00 0.00 C ATOM 1742 O LYS A 105 23.949 -7.162 -0.480 1.00 0.00 O ATOM 1743 CB LYS A 105 23.762 -8.290 -3.103 1.00 0.00 C ATOM 1744 CG LYS A 105 23.493 -9.164 -4.329 1.00 0.00 C ATOM 1745 CD LYS A 105 23.552 -10.649 -3.967 1.00 0.00 C ATOM 1746 CE LYS A 105 24.630 -11.369 -4.779 1.00 0.00 C ATOM 1747 NZ LYS A 105 24.106 -12.641 -5.325 1.00 0.00 N ATOM 0 H LYS A 105 21.352 -6.941 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 105 22.566 -9.612 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.755 -7.239 -3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.755 -8.506 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.513 -8.925 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.228 -8.945 -5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.759 -10.759 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.582 -11.111 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.968 -10.729 -5.594 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.497 -11.567 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.893 -13.304 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.429 -13.055 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.628 -12.459 -6.230 1.00 0.00 H new ATOM 1761 N ARG A 106 22.644 -8.797 0.379 1.00 0.00 N ATOM 1762 CA ARG A 106 22.982 -8.495 1.759 1.00 0.00 C ATOM 1763 C ARG A 106 24.467 -8.761 2.012 1.00 0.00 C ATOM 1764 O ARG A 106 25.246 -7.826 2.192 1.00 0.00 O ATOM 1765 CB ARG A 106 22.148 -9.338 2.727 1.00 0.00 C ATOM 1766 CG ARG A 106 21.794 -10.692 2.110 1.00 0.00 C ATOM 1767 CD ARG A 106 20.366 -10.687 1.561 1.00 0.00 C ATOM 1768 NE ARG A 106 20.202 -11.772 0.567 1.00 0.00 N ATOM 1769 CZ ARG A 106 20.180 -13.076 0.876 1.00 0.00 C ATOM 1770 NH1 ARG A 106 20.310 -13.465 2.151 1.00 0.00 N ATOM 1771 NH2 ARG A 106 20.026 -13.990 -0.092 1.00 0.00 N ATOM 0 H ARG A 106 21.993 -9.573 0.259 1.00 0.00 H new ATOM 0 HA ARG A 106 22.764 -7.441 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 106 22.703 -9.490 3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 106 21.235 -8.803 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 106 22.495 -10.925 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.896 -11.476 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 106 19.654 -10.818 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 106 20.148 -9.724 1.100 1.00 0.00 H new ATOM 0 HE ARG A 106 20.099 -11.511 -0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 106 20.426 -12.769 2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 106 20.293 -14.458 2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.926 -13.693 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 106 20.009 -14.983 0.142 1.00 0.00 H new ATOM 1785 N LYS A 107 24.815 -10.039 2.018 1.00 0.00 N ATOM 1786 CA LYS A 107 26.193 -10.439 2.246 1.00 0.00 C ATOM 1787 C LYS A 107 27.048 -10.008 1.053 1.00 0.00 C ATOM 1788 O LYS A 107 27.181 -10.748 0.079 1.00 0.00 O ATOM 1789 CB LYS A 107 26.273 -11.936 2.550 1.00 0.00 C ATOM 1790 CG LYS A 107 27.206 -12.206 3.733 1.00 0.00 C ATOM 1791 CD LYS A 107 28.356 -13.128 3.325 1.00 0.00 C ATOM 1792 CE LYS A 107 29.185 -13.542 4.542 1.00 0.00 C ATOM 1793 NZ LYS A 107 30.587 -13.810 4.148 1.00 0.00 N ATOM 0 H LYS A 107 24.166 -10.812 1.869 1.00 0.00 H new ATOM 0 HA LYS A 107 26.595 -9.936 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 107 25.277 -12.319 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 107 26.631 -12.471 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 107 27.606 -11.264 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 107 26.643 -12.660 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 107 27.958 -14.015 2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 107 28.994 -12.621 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 107 29.157 -12.753 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 107 28.753 -14.433 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 31.136 -14.090 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 30.610 -14.578 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 31.002 -12.951 3.734 1.00 0.00 H new ATOM 1807 N VAL A 108 27.607 -8.812 1.167 1.00 0.00 N ATOM 1808 CA VAL A 108 28.446 -8.273 0.110 1.00 0.00 C ATOM 1809 C VAL A 108 29.913 -8.366 0.533 1.00 0.00 C ATOM 1810 O VAL A 108 30.738 -8.920 -0.193 1.00 0.00 O ATOM 1811 CB VAL A 108 28.010 -6.846 -0.227 1.00 0.00 C ATOM 1812 CG1 VAL A 108 28.197 -6.554 -1.718 1.00 0.00 C ATOM 1813 CG2 VAL A 108 26.563 -6.598 0.203 1.00 0.00 C ATOM 0 H VAL A 108 27.495 -8.201 1.976 1.00 0.00 H new ATOM 0 HA VAL A 108 28.333 -8.857 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 108 28.647 -6.160 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 108 27.880 -5.533 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 108 29.248 -6.670 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 108 27.597 -7.250 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 108 26.279 -5.576 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 108 25.905 -7.296 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 108 26.473 -6.745 1.279 1.00 0.00 H new ATOM 1823 N ASP A 109 30.195 -7.815 1.704 1.00 0.00 N ATOM 1824 CA ASP A 109 31.548 -7.829 2.232 1.00 0.00 C ATOM 1825 C ASP A 109 32.539 -7.609 1.088 1.00 0.00 C ATOM 1826 O ASP A 109 33.264 -8.526 0.704 1.00 0.00 O ATOM 1827 CB ASP A 109 31.871 -9.175 2.885 1.00 0.00 C ATOM 1828 CG ASP A 109 33.358 -9.429 3.141 1.00 0.00 C ATOM 1829 OD1 ASP A 109 34.100 -8.426 3.220 1.00 0.00 O ATOM 1830 OD2 ASP A 109 33.720 -10.620 3.251 1.00 0.00 O ATOM 0 H ASP A 109 29.509 -7.356 2.303 1.00 0.00 H new ATOM 0 HA ASP A 109 31.627 -7.038 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 109 31.338 -9.239 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 109 31.486 -9.972 2.249 1.00 0.00 H new ATOM 1835 N THR A 110 32.540 -6.387 0.575 1.00 0.00 N ATOM 1836 CA THR A 110 33.430 -6.035 -0.518 1.00 0.00 C ATOM 1837 C THR A 110 33.080 -6.839 -1.772 1.00 0.00 C ATOM 1838 O THR A 110 31.930 -6.847 -2.208 1.00 0.00 O ATOM 1839 CB THR A 110 34.869 -6.245 -0.043 1.00 0.00 C ATOM 1840 OG1 THR A 110 35.224 -4.999 0.551 1.00 0.00 O ATOM 1841 CG2 THR A 110 35.853 -6.398 -1.204 1.00 0.00 C ATOM 0 H THR A 110 31.938 -5.629 0.896 1.00 0.00 H new ATOM 0 HA THR A 110 33.315 -4.988 -0.799 1.00 0.00 H new ATOM 0 HB THR A 110 34.916 -7.130 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 110 36.143 -5.047 0.888 1.00 0.00 H new ATOM 0 HG21 THR A 110 36.859 -6.544 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 110 35.571 -7.260 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 110 35.831 -5.499 -1.820 1.00 0.00 H new TER 1849 THR A 110