USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 766 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 25 MET CE :methyl 137:sc= -0.92 (180deg=-1.63!) USER MOD Set 1.2: A 74 GLN : amide:sc= -0.249 X(o=-0.55,f=-0.7) USER MOD Set 1.3: A 77 SER OG : rot 81:sc= 0.619 USER MOD Set 2.1: A 53 MET CE :methyl 160:sc= -1.9 (180deg=-3.35!) USER MOD Set 2.2: A 57 MET CE :methyl -141:sc= -1.05 (180deg=-1.91) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0983) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0484 F(o=-1.2!,f=-0.048) USER MOD Single : A 7 MET CE :methyl -146:sc= -0.853 (180deg=-3.73!) USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.101) USER MOD Single : A 11 THR OG1 : rot 23:sc= 0.733 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -2.88 F(o=-5.9!,f=-2.9) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.15 F(o=-1.3,f=-0.15) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -33:sc= -0.482! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.768! K(o=-0.77!,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 36:sc= -0.0972 USER MOD Single : A 45 SER OG : rot 180:sc= -0.636 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00672 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.0345 (180deg=-0.363) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.427 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.0793 F(o=-0.82,f=-0.079) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0805 USER MOD Single : A 79 SER OG : rot 149:sc= -1.33 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 88 SER OG : rot 67:sc= 0.921 USER MOD Single : A 90 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-5.2!) USER MOD Single : A 91 SER OG : rot 114:sc= 0.165 USER MOD Single : A 93 SER OG : rot 108:sc= 0.9 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.939 11.156 -1.019 1.00 1.00 N ATOM 21 CA LYS A 2 12.170 9.774 -1.424 1.00 1.00 C ATOM 22 C LYS A 2 11.426 8.815 -0.496 1.00 1.00 C ATOM 23 O LYS A 2 12.016 7.873 0.033 1.00 1.00 O ATOM 24 CB LYS A 2 13.674 9.479 -1.345 1.00 1.00 C ATOM 25 CG LYS A 2 14.397 10.107 -2.539 1.00 1.00 C ATOM 26 CD LYS A 2 15.904 9.910 -2.366 1.00 1.00 C ATOM 27 CE LYS A 2 16.658 10.649 -3.473 1.00 1.00 C ATOM 28 NZ LYS A 2 16.435 9.951 -4.773 1.00 1.00 N ATOM 0 HA LYS A 2 11.806 9.635 -2.442 1.00 1.00 H new ATOM 0 HB2 LYS A 2 14.082 9.874 -0.414 1.00 1.00 H new ATOM 0 HB3 LYS A 2 13.841 8.402 -1.334 1.00 1.00 H new ATOM 0 HG2 LYS A 2 14.061 9.646 -3.468 1.00 1.00 H new ATOM 0 HG3 LYS A 2 14.161 11.169 -2.606 1.00 1.00 H new ATOM 0 HD2 LYS A 2 16.218 10.281 -1.390 1.00 1.00 H new ATOM 0 HD3 LYS A 2 16.146 8.848 -2.396 1.00 1.00 H new ATOM 0 HE2 LYS A 2 16.313 11.681 -3.537 1.00 1.00 H new ATOM 0 HE3 LYS A 2 17.723 10.683 -3.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 17.075 10.344 -5.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 16.625 8.935 -4.659 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 15.449 10.087 -5.075 1.00 1.00 H new ATOM 42 N PRO A 3 10.162 9.044 -0.265 1.00 1.00 N ATOM 43 CA PRO A 3 9.358 8.178 0.650 1.00 1.00 C ATOM 44 C PRO A 3 9.128 6.774 0.089 1.00 1.00 C ATOM 45 O PRO A 3 9.122 5.794 0.834 1.00 1.00 O ATOM 46 CB PRO A 3 8.029 8.943 0.784 1.00 1.00 C ATOM 47 CG PRO A 3 7.922 9.737 -0.474 1.00 1.00 C ATOM 48 CD PRO A 3 9.355 10.128 -0.845 1.00 1.00 C ATOM 0 HA PRO A 3 9.865 8.009 1.600 1.00 1.00 H new ATOM 0 HB2 PRO A 3 7.187 8.259 0.894 1.00 1.00 H new ATOM 0 HB3 PRO A 3 8.031 9.589 1.662 1.00 1.00 H new ATOM 0 HG2 PRO A 3 7.459 9.151 -1.268 1.00 1.00 H new ATOM 0 HG3 PRO A 3 7.301 10.621 -0.327 1.00 1.00 H new ATOM 0 HD2 PRO A 3 9.487 10.194 -1.925 1.00 1.00 H new ATOM 0 HD3 PRO A 3 9.627 11.099 -0.430 1.00 1.00 H new ATOM 56 N LEU A 4 8.909 6.687 -1.226 1.00 1.00 N ATOM 57 CA LEU A 4 8.644 5.399 -1.875 1.00 1.00 C ATOM 58 C LEU A 4 9.805 4.952 -2.763 1.00 1.00 C ATOM 59 O LEU A 4 9.827 3.821 -3.250 1.00 1.00 O ATOM 60 CB LEU A 4 7.375 5.528 -2.723 1.00 1.00 C ATOM 61 CG LEU A 4 6.178 5.919 -1.837 1.00 1.00 C ATOM 62 CD1 LEU A 4 4.906 6.031 -2.701 1.00 1.00 C ATOM 63 CD2 LEU A 4 5.963 4.877 -0.723 1.00 1.00 C ATOM 0 H LEU A 4 8.910 7.487 -1.859 1.00 1.00 H new ATOM 0 HA LEU A 4 8.518 4.646 -1.097 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.523 6.279 -3.499 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.169 4.584 -3.228 1.00 1.00 H new ATOM 0 HG LEU A 4 6.388 6.883 -1.373 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.061 6.308 -2.070 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.052 6.793 -3.467 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.704 5.072 -3.177 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.113 5.172 -0.108 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.767 3.902 -1.170 1.00 1.00 H new ATOM 0 HD23 LEU A 4 6.857 4.819 -0.102 1.00 1.00 H new ATOM 75 N SER A 5 10.756 5.846 -2.973 1.00 1.00 N ATOM 76 CA SER A 5 11.913 5.559 -3.821 1.00 1.00 C ATOM 77 C SER A 5 12.790 4.437 -3.263 1.00 1.00 C ATOM 78 O SER A 5 13.582 3.844 -3.996 1.00 1.00 O ATOM 79 CB SER A 5 12.746 6.831 -3.971 1.00 1.00 C ATOM 80 OG SER A 5 13.575 6.731 -5.122 1.00 1.00 O ATOM 0 H SER A 5 10.754 6.782 -2.568 1.00 1.00 H new ATOM 0 HA SER A 5 11.539 5.222 -4.788 1.00 1.00 H new ATOM 0 HB2 SER A 5 12.091 7.698 -4.058 1.00 1.00 H new ATOM 0 HB3 SER A 5 13.359 6.982 -3.082 1.00 1.00 H new ATOM 0 HG SER A 5 14.106 7.549 -5.215 1.00 1.00 H new ATOM 86 N ASN A 6 12.665 4.158 -1.970 1.00 1.00 N ATOM 87 CA ASN A 6 13.475 3.115 -1.329 1.00 1.00 C ATOM 88 C ASN A 6 12.685 1.821 -1.162 1.00 1.00 C ATOM 89 O ASN A 6 13.107 0.915 -0.444 1.00 1.00 O ATOM 90 CB ASN A 6 13.957 3.599 0.039 1.00 1.00 C ATOM 91 CG ASN A 6 14.994 4.711 -0.115 1.00 1.00 C ATOM 92 OD1 ASN A 6 15.765 4.747 -1.170 1.00 1.00 O flip ATOM 93 ND2 ASN A 6 15.110 5.574 0.755 1.00 1.00 N flip ATOM 0 H ASN A 6 12.016 4.634 -1.344 1.00 1.00 H new ATOM 0 HA ASN A 6 14.331 2.912 -1.973 1.00 1.00 H new ATOM 0 HB2 ASN A 6 13.110 3.963 0.620 1.00 1.00 H new ATOM 0 HB3 ASN A 6 14.390 2.766 0.593 1.00 1.00 H new ATOM 0 HD21 ASN A 6 14.511 5.550 1.580 1.00 1.00 H new ATOM 0 HD22 ASN A 6 15.805 6.313 0.651 1.00 1.00 H new ATOM 100 N MET A 7 11.535 1.734 -1.827 1.00 1.00 N ATOM 101 CA MET A 7 10.705 0.534 -1.728 1.00 1.00 C ATOM 102 C MET A 7 9.869 0.320 -2.988 1.00 1.00 C ATOM 103 O MET A 7 9.552 1.267 -3.707 1.00 1.00 O ATOM 104 CB MET A 7 9.757 0.667 -0.537 1.00 1.00 C ATOM 105 CG MET A 7 9.145 2.065 -0.525 1.00 1.00 C ATOM 106 SD MET A 7 7.739 2.101 0.621 1.00 1.00 S ATOM 107 CE MET A 7 6.460 1.423 -0.483 1.00 1.00 C ATOM 0 H MET A 7 11.161 2.466 -2.431 1.00 1.00 H new ATOM 0 HA MET A 7 11.372 -0.319 -1.602 1.00 1.00 H new ATOM 0 HB2 MET A 7 8.970 -0.085 -0.599 1.00 1.00 H new ATOM 0 HB3 MET A 7 10.297 0.487 0.393 1.00 1.00 H new ATOM 0 HG2 MET A 7 9.893 2.798 -0.223 1.00 1.00 H new ATOM 0 HG3 MET A 7 8.817 2.339 -1.528 1.00 1.00 H new ATOM 0 HE1 MET A 7 5.500 1.885 -0.255 1.00 1.00 H new ATOM 0 HE2 MET A 7 6.726 1.632 -1.519 1.00 1.00 H new ATOM 0 HE3 MET A 7 6.387 0.345 -0.337 1.00 1.00 H new ATOM 117 N LYS A 8 9.480 -0.938 -3.207 1.00 1.00 N ATOM 118 CA LYS A 8 8.633 -1.311 -4.339 1.00 1.00 C ATOM 119 C LYS A 8 7.193 -1.435 -3.830 1.00 1.00 C ATOM 120 O LYS A 8 6.970 -1.737 -2.657 1.00 1.00 O ATOM 121 CB LYS A 8 9.116 -2.647 -4.938 1.00 1.00 C ATOM 122 CG LYS A 8 10.172 -2.400 -6.025 1.00 1.00 C ATOM 123 CD LYS A 8 11.388 -1.692 -5.422 1.00 1.00 C ATOM 124 CE LYS A 8 12.440 -1.464 -6.512 1.00 1.00 C ATOM 125 NZ LYS A 8 13.115 -2.755 -6.825 1.00 1.00 N ATOM 0 H LYS A 8 9.742 -1.721 -2.608 1.00 1.00 H new ATOM 0 HA LYS A 8 8.685 -0.555 -5.123 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.535 -3.274 -4.151 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.270 -3.189 -5.361 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.476 -3.347 -6.470 1.00 1.00 H new ATOM 0 HG3 LYS A 8 9.747 -1.794 -6.825 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.088 -0.739 -4.986 1.00 1.00 H new ATOM 0 HD3 LYS A 8 11.809 -2.293 -4.616 1.00 1.00 H new ATOM 0 HE2 LYS A 8 11.969 -1.060 -7.408 1.00 1.00 H new ATOM 0 HE3 LYS A 8 13.173 -0.729 -6.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 13.948 -2.576 -7.421 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 13.414 -3.214 -5.941 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 12.454 -3.378 -7.332 1.00 1.00 H new ATOM 139 N ILE A 9 6.226 -1.160 -4.700 1.00 1.00 N ATOM 140 CA ILE A 9 4.807 -1.192 -4.314 1.00 1.00 C ATOM 141 C ILE A 9 4.025 -2.237 -5.116 1.00 1.00 C ATOM 142 O ILE A 9 4.249 -2.419 -6.312 1.00 1.00 O ATOM 143 CB ILE A 9 4.201 0.183 -4.558 1.00 1.00 C ATOM 144 CG1 ILE A 9 4.935 1.230 -3.709 1.00 1.00 C ATOM 145 CG2 ILE A 9 2.714 0.184 -4.189 1.00 1.00 C ATOM 146 CD1 ILE A 9 4.471 2.644 -4.085 1.00 1.00 C ATOM 0 H ILE A 9 6.392 -0.913 -5.676 1.00 1.00 H new ATOM 0 HA ILE A 9 4.744 -1.463 -3.260 1.00 1.00 H new ATOM 0 HB ILE A 9 4.305 0.427 -5.615 1.00 1.00 H new ATOM 0 HG12 ILE A 9 4.746 1.047 -2.651 1.00 1.00 H new ATOM 0 HG13 ILE A 9 6.011 1.141 -3.860 1.00 1.00 H new ATOM 0 HG21 ILE A 9 2.295 1.174 -4.369 1.00 1.00 H new ATOM 0 HG22 ILE A 9 2.187 -0.549 -4.799 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.600 -0.072 -3.136 1.00 1.00 H new ATOM 0 HD11 ILE A 9 5.001 3.375 -3.474 1.00 1.00 H new ATOM 0 HD12 ILE A 9 4.684 2.829 -5.138 1.00 1.00 H new ATOM 0 HD13 ILE A 9 3.399 2.734 -3.910 1.00 1.00 H new ATOM 158 N LEU A 10 3.100 -2.915 -4.432 1.00 1.00 N ATOM 159 CA LEU A 10 2.262 -3.949 -5.055 1.00 1.00 C ATOM 160 C LEU A 10 0.785 -3.573 -5.048 1.00 1.00 C ATOM 161 O LEU A 10 0.233 -3.192 -4.016 1.00 1.00 O ATOM 162 CB LEU A 10 2.406 -5.266 -4.296 1.00 1.00 C ATOM 163 CG LEU A 10 1.632 -6.404 -5.016 1.00 1.00 C ATOM 164 CD1 LEU A 10 2.469 -7.689 -5.006 1.00 1.00 C ATOM 165 CD2 LEU A 10 0.301 -6.685 -4.295 1.00 1.00 C ATOM 0 H LEU A 10 2.910 -2.767 -3.441 1.00 1.00 H new ATOM 0 HA LEU A 10 2.601 -4.047 -6.086 1.00 1.00 H new ATOM 0 HB2 LEU A 10 3.460 -5.531 -4.215 1.00 1.00 H new ATOM 0 HB3 LEU A 10 2.028 -5.149 -3.280 1.00 1.00 H new ATOM 0 HG LEU A 10 1.436 -6.090 -6.041 1.00 1.00 H new ATOM 0 HD11 LEU A 10 1.921 -8.484 -5.512 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.413 -7.513 -5.522 1.00 1.00 H new ATOM 0 HD13 LEU A 10 2.669 -7.985 -3.976 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -0.230 -7.485 -4.811 1.00 1.00 H new ATOM 0 HD22 LEU A 10 0.501 -6.986 -3.267 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.311 -5.783 -4.296 1.00 1.00 H new ATOM 177 N THR A 11 0.136 -3.747 -6.194 1.00 1.00 N ATOM 178 CA THR A 11 -1.305 -3.486 -6.311 1.00 1.00 C ATOM 179 C THR A 11 -2.048 -4.817 -6.351 1.00 1.00 C ATOM 180 O THR A 11 -1.828 -5.632 -7.249 1.00 1.00 O ATOM 181 CB THR A 11 -1.606 -2.694 -7.584 1.00 1.00 C ATOM 182 OG1 THR A 11 -1.211 -3.455 -8.717 1.00 1.00 O ATOM 183 CG2 THR A 11 -0.833 -1.379 -7.541 1.00 1.00 C ATOM 0 H THR A 11 0.578 -4.066 -7.056 1.00 1.00 H new ATOM 0 HA THR A 11 -1.632 -2.899 -5.453 1.00 1.00 H new ATOM 0 HB THR A 11 -2.674 -2.485 -7.653 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.191 -4.406 -8.481 1.00 1.00 H new ATOM 0 HG21 THR A 11 -1.040 -0.805 -8.444 1.00 1.00 H new ATOM 0 HG22 THR A 11 -1.141 -0.804 -6.668 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.235 -1.587 -7.480 1.00 1.00 H new ATOM 191 N LEU A 12 -2.909 -5.042 -5.361 1.00 1.00 N ATOM 192 CA LEU A 12 -3.659 -6.292 -5.279 1.00 1.00 C ATOM 193 C LEU A 12 -4.583 -6.457 -6.484 1.00 1.00 C ATOM 194 O LEU A 12 -4.708 -7.550 -7.032 1.00 1.00 O ATOM 195 CB LEU A 12 -4.479 -6.334 -3.986 1.00 1.00 C ATOM 196 CG LEU A 12 -5.209 -7.685 -3.858 1.00 1.00 C ATOM 197 CD1 LEU A 12 -4.191 -8.840 -3.830 1.00 1.00 C ATOM 198 CD2 LEU A 12 -6.025 -7.696 -2.558 1.00 1.00 C ATOM 0 H LEU A 12 -3.103 -4.380 -4.610 1.00 1.00 H new ATOM 0 HA LEU A 12 -2.944 -7.115 -5.278 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.824 -6.184 -3.127 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -5.204 -5.520 -3.980 1.00 1.00 H new ATOM 0 HG LEU A 12 -5.870 -7.816 -4.715 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.720 -9.789 -3.739 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -3.610 -8.835 -4.752 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.522 -8.715 -2.979 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -6.544 -8.650 -2.462 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -5.357 -7.559 -1.708 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -6.755 -6.887 -2.580 1.00 1.00 H new ATOM 210 N GLY A 13 -5.243 -5.369 -6.876 1.00 1.00 N ATOM 211 CA GLY A 13 -6.165 -5.414 -8.006 1.00 1.00 C ATOM 212 C GLY A 13 -6.872 -4.074 -8.188 1.00 1.00 C ATOM 213 O GLY A 13 -6.378 -3.189 -8.887 1.00 1.00 O ATOM 0 H GLY A 13 -5.157 -4.455 -6.432 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -5.620 -5.668 -8.915 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.903 -6.200 -7.847 1.00 1.00 H new ATOM 217 N LYS A 14 -8.035 -3.938 -7.556 1.00 1.00 N ATOM 218 CA LYS A 14 -8.820 -2.710 -7.649 1.00 1.00 C ATOM 219 C LYS A 14 -8.106 -1.544 -6.970 1.00 1.00 C ATOM 220 O LYS A 14 -7.597 -1.672 -5.857 1.00 1.00 O ATOM 221 CB LYS A 14 -10.194 -2.929 -7.013 1.00 1.00 C ATOM 222 CG LYS A 14 -11.062 -1.685 -7.209 1.00 1.00 C ATOM 223 CD LYS A 14 -12.454 -1.935 -6.630 1.00 1.00 C ATOM 224 CE LYS A 14 -13.318 -0.692 -6.849 1.00 1.00 C ATOM 225 NZ LYS A 14 -14.708 -0.958 -6.382 1.00 1.00 N ATOM 0 H LYS A 14 -8.455 -4.663 -6.974 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.942 -2.459 -8.703 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.679 -3.796 -7.462 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.083 -3.142 -5.950 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.602 -0.827 -6.719 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -11.136 -1.444 -8.269 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -12.911 -2.800 -7.110 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.384 -2.161 -5.566 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -12.898 0.155 -6.307 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -13.324 -0.423 -7.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -15.293 -0.111 -6.532 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -15.108 -1.754 -6.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -14.695 -1.194 -5.369 1.00 1.00 H new ATOM 239 N LEU A 15 -8.066 -0.408 -7.668 1.00 1.00 N ATOM 240 CA LEU A 15 -7.408 0.801 -7.163 1.00 1.00 C ATOM 241 C LEU A 15 -8.410 1.953 -7.046 1.00 1.00 C ATOM 242 O LEU A 15 -9.205 2.190 -7.954 1.00 1.00 O ATOM 243 CB LEU A 15 -6.281 1.185 -8.120 1.00 1.00 C ATOM 244 CG LEU A 15 -5.469 2.359 -7.562 1.00 1.00 C ATOM 245 CD1 LEU A 15 -4.733 1.949 -6.272 1.00 1.00 C ATOM 246 CD2 LEU A 15 -4.456 2.800 -8.623 1.00 1.00 C ATOM 0 H LEU A 15 -8.485 -0.299 -8.592 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.003 0.602 -6.171 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.627 0.328 -8.281 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -6.698 1.454 -9.091 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.142 3.181 -7.319 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.163 2.797 -5.893 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -5.460 1.636 -5.522 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -4.055 1.123 -6.487 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.870 3.636 -8.241 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.792 1.969 -8.860 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.985 3.110 -9.524 1.00 1.00 H new ATOM 258 N SER A 16 -8.373 2.649 -5.909 1.00 1.00 N ATOM 259 CA SER A 16 -9.289 3.763 -5.653 1.00 1.00 C ATOM 260 C SER A 16 -9.124 4.905 -6.659 1.00 1.00 C ATOM 261 O SER A 16 -9.926 5.041 -7.583 1.00 1.00 O ATOM 262 CB SER A 16 -9.049 4.302 -4.243 1.00 1.00 C ATOM 263 OG SER A 16 -9.875 5.438 -4.027 1.00 1.00 O ATOM 0 H SER A 16 -7.718 2.461 -5.150 1.00 1.00 H new ATOM 0 HA SER A 16 -10.303 3.378 -5.756 1.00 1.00 H new ATOM 0 HB2 SER A 16 -9.270 3.532 -3.504 1.00 1.00 H new ATOM 0 HB3 SER A 16 -8.000 4.572 -4.118 1.00 1.00 H new ATOM 0 HG SER A 16 -9.724 5.785 -3.123 1.00 1.00 H new ATOM 269 N GLN A 17 -8.108 5.744 -6.456 1.00 1.00 N ATOM 270 CA GLN A 17 -7.887 6.891 -7.338 1.00 1.00 C ATOM 271 C GLN A 17 -7.688 6.466 -8.789 1.00 1.00 C ATOM 272 O GLN A 17 -7.741 5.281 -9.117 1.00 1.00 O ATOM 273 CB GLN A 17 -6.691 7.717 -6.855 1.00 1.00 C ATOM 274 CG GLN A 17 -5.442 6.847 -6.823 1.00 1.00 C ATOM 275 CD GLN A 17 -4.347 7.530 -6.004 1.00 1.00 C ATOM 276 OE1 GLN A 17 -4.274 7.321 -4.714 1.00 1.00 O flip ATOM 277 NE2 GLN A 17 -3.537 8.280 -6.551 1.00 1.00 N flip ATOM 0 H GLN A 17 -7.432 5.653 -5.698 1.00 1.00 H new ATOM 0 HA GLN A 17 -8.784 7.508 -7.298 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -6.535 8.569 -7.517 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -6.892 8.118 -5.861 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.678 5.875 -6.390 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -5.089 6.667 -7.838 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -3.592 8.444 -7.556 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -2.811 8.737 -5.999 1.00 1.00 H new ATOM 286 N ASN A 18 -7.489 7.458 -9.653 1.00 1.00 N ATOM 287 CA ASN A 18 -7.318 7.217 -11.079 1.00 1.00 C ATOM 288 C ASN A 18 -5.982 6.548 -11.381 1.00 1.00 C ATOM 289 O ASN A 18 -4.992 6.735 -10.673 1.00 1.00 O ATOM 290 CB ASN A 18 -7.390 8.545 -11.844 1.00 1.00 C ATOM 291 CG ASN A 18 -8.435 9.459 -11.219 1.00 1.00 C ATOM 292 OD1 ASN A 18 -8.047 10.355 -10.358 1.00 1.00 O flip ATOM 293 ND2 ASN A 18 -9.627 9.341 -11.505 1.00 1.00 N flip ATOM 0 H ASN A 18 -7.442 8.441 -9.386 1.00 1.00 H new ATOM 0 HA ASN A 18 -8.120 6.550 -11.397 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -6.416 9.033 -11.831 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -7.639 8.358 -12.889 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -9.922 8.636 -12.181 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -10.319 9.948 -11.066 1.00 1.00 H new ATOM 300 N LYS A 19 -5.971 5.787 -12.462 1.00 1.00 N ATOM 301 CA LYS A 19 -4.767 5.101 -12.902 1.00 1.00 C ATOM 302 C LYS A 19 -3.667 6.102 -13.251 1.00 1.00 C ATOM 303 O LYS A 19 -2.520 5.940 -12.844 1.00 1.00 O ATOM 304 CB LYS A 19 -5.124 4.243 -14.129 1.00 1.00 C ATOM 305 CG LYS A 19 -3.885 3.988 -14.996 1.00 1.00 C ATOM 306 CD LYS A 19 -4.237 3.046 -16.123 1.00 1.00 C ATOM 307 CE LYS A 19 -3.009 2.897 -17.010 1.00 1.00 C ATOM 308 NZ LYS A 19 -3.241 1.808 -17.999 1.00 1.00 N ATOM 0 H LYS A 19 -6.786 5.628 -13.054 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.389 4.468 -12.099 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -5.547 3.293 -13.803 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -5.889 4.746 -14.720 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -3.512 4.929 -15.399 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -3.086 3.562 -14.389 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -4.542 2.077 -15.729 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -5.077 3.436 -16.697 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -2.804 3.835 -17.527 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -2.133 2.670 -16.402 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -2.402 1.705 -18.606 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -3.416 0.914 -17.497 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -4.067 2.043 -18.586 1.00 1.00 H new ATOM 322 N ASP A 20 -4.008 7.112 -14.028 1.00 1.00 N ATOM 323 CA ASP A 20 -3.013 8.077 -14.439 1.00 1.00 C ATOM 324 C ASP A 20 -2.437 8.812 -13.227 1.00 1.00 C ATOM 325 O ASP A 20 -1.234 9.067 -13.156 1.00 1.00 O ATOM 326 CB ASP A 20 -3.635 9.078 -15.407 1.00 1.00 C ATOM 327 CG ASP A 20 -3.916 8.403 -16.745 1.00 1.00 C ATOM 328 OD1 ASP A 20 -3.461 7.285 -16.929 1.00 1.00 O ATOM 329 OD2 ASP A 20 -4.587 9.008 -17.564 1.00 1.00 O ATOM 0 H ASP A 20 -4.950 7.282 -14.381 1.00 1.00 H new ATOM 0 HA ASP A 20 -2.201 7.547 -14.937 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.560 9.474 -14.989 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -2.962 9.924 -15.551 1.00 1.00 H new ATOM 334 N GLU A 21 -3.301 9.161 -12.280 1.00 1.00 N ATOM 335 CA GLU A 21 -2.857 9.872 -11.083 1.00 1.00 C ATOM 336 C GLU A 21 -2.007 8.968 -10.189 1.00 1.00 C ATOM 337 O GLU A 21 -1.037 9.417 -9.578 1.00 1.00 O ATOM 338 CB GLU A 21 -4.073 10.359 -10.288 1.00 1.00 C ATOM 339 CG GLU A 21 -4.829 11.423 -11.090 1.00 1.00 C ATOM 340 CD GLU A 21 -3.965 12.670 -11.257 1.00 1.00 C ATOM 341 OE1 GLU A 21 -3.462 13.155 -10.256 1.00 1.00 O ATOM 342 OE2 GLU A 21 -3.821 13.120 -12.380 1.00 1.00 O ATOM 0 H GLU A 21 -4.302 8.967 -12.315 1.00 1.00 H new ATOM 0 HA GLU A 21 -2.252 10.721 -11.401 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -4.733 9.520 -10.067 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -3.752 10.772 -9.332 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -5.101 11.026 -12.068 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -5.758 11.681 -10.581 1.00 1.00 H new ATOM 349 N ALA A 22 -2.392 7.702 -10.092 1.00 1.00 N ATOM 350 CA ALA A 22 -1.666 6.760 -9.242 1.00 1.00 C ATOM 351 C ALA A 22 -0.243 6.512 -9.735 1.00 1.00 C ATOM 352 O ALA A 22 0.724 6.715 -9.002 1.00 1.00 O ATOM 353 CB ALA A 22 -2.406 5.430 -9.212 1.00 1.00 C ATOM 0 H ALA A 22 -3.192 7.305 -10.584 1.00 1.00 H new ATOM 0 HA ALA A 22 -1.609 7.201 -8.247 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -1.865 4.727 -8.578 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -3.409 5.581 -8.813 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.474 5.029 -10.223 1.00 1.00 H new ATOM 359 N LYS A 23 -0.132 6.071 -10.982 1.00 1.00 N ATOM 360 CA LYS A 23 1.165 5.776 -11.580 1.00 1.00 C ATOM 361 C LYS A 23 2.029 7.027 -11.678 1.00 1.00 C ATOM 362 O LYS A 23 3.230 6.973 -11.412 1.00 1.00 O ATOM 363 CB LYS A 23 0.971 5.134 -12.970 1.00 1.00 C ATOM 364 CG LYS A 23 0.673 3.628 -12.836 1.00 1.00 C ATOM 365 CD LYS A 23 -0.695 3.399 -12.184 1.00 1.00 C ATOM 366 CE LYS A 23 -0.995 1.901 -12.139 1.00 1.00 C ATOM 367 NZ LYS A 23 -2.314 1.680 -11.485 1.00 1.00 N ATOM 0 H LYS A 23 -0.927 5.909 -11.601 1.00 1.00 H new ATOM 0 HA LYS A 23 1.686 5.069 -10.934 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.152 5.627 -13.493 1.00 1.00 H new ATOM 0 HB3 LYS A 23 1.868 5.280 -13.572 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.695 3.160 -13.820 1.00 1.00 H new ATOM 0 HG3 LYS A 23 1.450 3.151 -12.239 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -0.703 3.812 -11.175 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -1.470 3.919 -12.748 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -1.004 1.490 -13.149 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -0.212 1.379 -11.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -2.520 0.661 -11.454 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -2.289 2.058 -10.516 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -3.056 2.166 -12.027 1.00 1.00 H new ATOM 381 N ALA A 24 1.425 8.143 -12.059 1.00 1.00 N ATOM 382 CA ALA A 24 2.172 9.386 -12.182 1.00 1.00 C ATOM 383 C ALA A 24 2.722 9.840 -10.834 1.00 1.00 C ATOM 384 O ALA A 24 3.891 10.209 -10.733 1.00 1.00 O ATOM 385 CB ALA A 24 1.272 10.480 -12.761 1.00 1.00 C ATOM 0 H ALA A 24 0.433 8.214 -12.286 1.00 1.00 H new ATOM 0 HA ALA A 24 3.013 9.206 -12.852 1.00 1.00 H new ATOM 0 HB1 ALA A 24 1.838 11.407 -12.850 1.00 1.00 H new ATOM 0 HB2 ALA A 24 0.917 10.176 -13.745 1.00 1.00 H new ATOM 0 HB3 ALA A 24 0.419 10.637 -12.100 1.00 1.00 H new ATOM 391 N MET A 25 1.878 9.838 -9.803 1.00 1.00 N ATOM 392 CA MET A 25 2.322 10.283 -8.488 1.00 1.00 C ATOM 393 C MET A 25 3.332 9.313 -7.863 1.00 1.00 C ATOM 394 O MET A 25 4.304 9.744 -7.258 1.00 1.00 O ATOM 395 CB MET A 25 1.101 10.531 -7.566 1.00 1.00 C ATOM 396 CG MET A 25 0.738 9.280 -6.754 1.00 1.00 C ATOM 397 SD MET A 25 1.855 9.093 -5.336 1.00 1.00 S ATOM 398 CE MET A 25 1.350 10.561 -4.405 1.00 1.00 C ATOM 0 H MET A 25 0.904 9.540 -9.852 1.00 1.00 H new ATOM 0 HA MET A 25 2.850 11.229 -8.610 1.00 1.00 H new ATOM 0 HB2 MET A 25 1.320 11.355 -6.887 1.00 1.00 H new ATOM 0 HB3 MET A 25 0.245 10.834 -8.169 1.00 1.00 H new ATOM 0 HG2 MET A 25 -0.292 9.352 -6.405 1.00 1.00 H new ATOM 0 HG3 MET A 25 0.798 8.397 -7.390 1.00 1.00 H new ATOM 0 HE1 MET A 25 1.261 10.309 -3.348 1.00 1.00 H new ATOM 0 HE2 MET A 25 2.097 11.345 -4.529 1.00 1.00 H new ATOM 0 HE3 MET A 25 0.388 10.914 -4.776 1.00 1.00 H new ATOM 408 N ILE A 26 3.106 8.011 -8.018 1.00 1.00 N ATOM 409 CA ILE A 26 4.015 7.014 -7.450 1.00 1.00 C ATOM 410 C ILE A 26 5.422 7.119 -8.044 1.00 1.00 C ATOM 411 O ILE A 26 6.411 7.074 -7.313 1.00 1.00 O ATOM 412 CB ILE A 26 3.422 5.620 -7.692 1.00 1.00 C ATOM 413 CG1 ILE A 26 2.187 5.448 -6.798 1.00 1.00 C ATOM 414 CG2 ILE A 26 4.445 4.530 -7.360 1.00 1.00 C ATOM 415 CD1 ILE A 26 1.336 4.294 -7.310 1.00 1.00 C ATOM 0 H ILE A 26 2.311 7.623 -8.526 1.00 1.00 H new ATOM 0 HA ILE A 26 4.116 7.196 -6.380 1.00 1.00 H new ATOM 0 HB ILE A 26 3.148 5.527 -8.743 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.495 5.257 -5.770 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.602 6.368 -6.790 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.003 3.550 -7.539 1.00 1.00 H new ATOM 0 HG22 ILE A 26 5.325 4.652 -7.992 1.00 1.00 H new ATOM 0 HG23 ILE A 26 4.736 4.611 -6.313 1.00 1.00 H new ATOM 0 HD11 ILE A 26 0.460 4.176 -6.672 1.00 1.00 H new ATOM 0 HD12 ILE A 26 1.015 4.503 -8.331 1.00 1.00 H new ATOM 0 HD13 ILE A 26 1.922 3.375 -7.295 1.00 1.00 H new ATOM 427 N GLU A 27 5.513 7.274 -9.356 1.00 1.00 N ATOM 428 CA GLU A 27 6.816 7.399 -10.007 1.00 1.00 C ATOM 429 C GLU A 27 7.484 8.734 -9.663 1.00 1.00 C ATOM 430 O GLU A 27 8.711 8.839 -9.652 1.00 1.00 O ATOM 431 CB GLU A 27 6.652 7.238 -11.516 1.00 1.00 C ATOM 432 CG GLU A 27 6.266 5.783 -11.805 1.00 1.00 C ATOM 433 CD GLU A 27 5.989 5.581 -13.291 1.00 1.00 C ATOM 434 OE1 GLU A 27 6.087 6.545 -14.032 1.00 1.00 O ATOM 435 OE2 GLU A 27 5.674 4.463 -13.664 1.00 1.00 O ATOM 0 H GLU A 27 4.713 7.316 -9.988 1.00 1.00 H new ATOM 0 HA GLU A 27 7.469 6.609 -9.637 1.00 1.00 H new ATOM 0 HB2 GLU A 27 5.884 7.916 -11.889 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.579 7.494 -12.028 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.070 5.119 -11.487 1.00 1.00 H new ATOM 0 HG3 GLU A 27 5.382 5.515 -11.226 1.00 1.00 H new ATOM 442 N LYS A 28 6.673 9.752 -9.389 1.00 1.00 N ATOM 443 CA LYS A 28 7.201 11.075 -9.044 1.00 1.00 C ATOM 444 C LYS A 28 8.021 11.020 -7.756 1.00 1.00 C ATOM 445 O LYS A 28 9.120 11.568 -7.682 1.00 1.00 O ATOM 446 CB LYS A 28 6.039 12.065 -8.883 1.00 1.00 C ATOM 447 CG LYS A 28 6.564 13.503 -8.973 1.00 1.00 C ATOM 448 CD LYS A 28 5.394 14.498 -8.989 1.00 1.00 C ATOM 449 CE LYS A 28 4.657 14.461 -7.647 1.00 1.00 C ATOM 450 NZ LYS A 28 3.791 15.666 -7.509 1.00 1.00 N ATOM 0 H LYS A 28 5.655 9.691 -9.398 1.00 1.00 H new ATOM 0 HA LYS A 28 7.857 11.407 -9.849 1.00 1.00 H new ATOM 0 HB2 LYS A 28 5.292 11.892 -9.658 1.00 1.00 H new ATOM 0 HB3 LYS A 28 5.546 11.908 -7.924 1.00 1.00 H new ATOM 0 HG2 LYS A 28 7.217 13.713 -8.126 1.00 1.00 H new ATOM 0 HG3 LYS A 28 7.164 13.622 -9.875 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.765 15.505 -9.182 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.706 14.251 -9.798 1.00 1.00 H new ATOM 0 HE2 LYS A 28 4.051 13.558 -7.580 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.376 14.424 -6.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 3.294 15.634 -6.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 4.379 16.523 -7.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 3.095 15.683 -8.281 1.00 1.00 H new ATOM 464 N LEU A 29 7.492 10.331 -6.755 1.00 1.00 N ATOM 465 CA LEU A 29 8.192 10.178 -5.482 1.00 1.00 C ATOM 466 C LEU A 29 9.468 9.398 -5.715 1.00 1.00 C ATOM 467 O LEU A 29 10.503 9.633 -5.093 1.00 1.00 O ATOM 468 CB LEU A 29 7.335 9.379 -4.497 1.00 1.00 C ATOM 469 CG LEU A 29 5.956 10.011 -4.399 1.00 1.00 C ATOM 470 CD1 LEU A 29 5.037 9.164 -3.511 1.00 1.00 C ATOM 471 CD2 LEU A 29 6.077 11.420 -3.811 1.00 1.00 C ATOM 0 H LEU A 29 6.583 9.869 -6.797 1.00 1.00 H new ATOM 0 HA LEU A 29 8.400 11.168 -5.077 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.250 8.344 -4.828 1.00 1.00 H new ATOM 0 HB3 LEU A 29 7.810 9.362 -3.516 1.00 1.00 H new ATOM 0 HG LEU A 29 5.526 10.065 -5.399 1.00 1.00 H new ATOM 0 HD11 LEU A 29 4.054 9.632 -3.453 1.00 1.00 H new ATOM 0 HD12 LEU A 29 4.938 8.166 -3.937 1.00 1.00 H new ATOM 0 HD13 LEU A 29 5.464 9.091 -2.511 1.00 1.00 H new ATOM 0 HD21 LEU A 29 5.087 11.871 -3.742 1.00 1.00 H new ATOM 0 HD22 LEU A 29 6.520 11.363 -2.817 1.00 1.00 H new ATOM 0 HD23 LEU A 29 6.710 12.030 -4.456 1.00 1.00 H new ATOM 483 N GLY A 30 9.330 8.422 -6.595 1.00 1.00 N ATOM 484 CA GLY A 30 10.399 7.505 -6.938 1.00 1.00 C ATOM 485 C GLY A 30 9.884 6.105 -6.691 1.00 1.00 C ATOM 486 O GLY A 30 10.567 5.114 -6.948 1.00 1.00 O ATOM 0 H GLY A 30 8.460 8.243 -7.097 1.00 1.00 H new ATOM 0 HA2 GLY A 30 10.692 7.629 -7.981 1.00 1.00 H new ATOM 0 HA3 GLY A 30 11.284 7.702 -6.333 1.00 1.00 H new ATOM 490 N GLY A 31 8.644 6.041 -6.207 1.00 1.00 N ATOM 491 CA GLY A 31 8.017 4.759 -5.945 1.00 1.00 C ATOM 492 C GLY A 31 7.888 3.977 -7.249 1.00 1.00 C ATOM 493 O GLY A 31 7.817 4.564 -8.328 1.00 1.00 O ATOM 0 H GLY A 31 8.066 6.853 -5.993 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.610 4.193 -5.227 1.00 1.00 H new ATOM 0 HA3 GLY A 31 7.033 4.908 -5.500 1.00 1.00 H new ATOM 497 N LYS A 32 7.878 2.649 -7.146 1.00 1.00 N ATOM 498 CA LYS A 32 7.779 1.779 -8.322 1.00 1.00 C ATOM 499 C LYS A 32 6.767 0.664 -8.112 1.00 1.00 C ATOM 500 O LYS A 32 6.478 0.259 -6.986 1.00 1.00 O ATOM 501 CB LYS A 32 9.167 1.195 -8.674 1.00 1.00 C ATOM 502 CG LYS A 32 9.906 2.127 -9.650 1.00 1.00 C ATOM 503 CD LYS A 32 9.400 1.882 -11.084 1.00 1.00 C ATOM 504 CE LYS A 32 10.068 2.864 -12.036 1.00 1.00 C ATOM 505 NZ LYS A 32 9.595 2.611 -13.426 1.00 1.00 N ATOM 0 H LYS A 32 7.937 2.149 -6.259 1.00 1.00 H new ATOM 0 HA LYS A 32 7.428 2.386 -9.157 1.00 1.00 H new ATOM 0 HB2 LYS A 32 9.756 1.067 -7.766 1.00 1.00 H new ATOM 0 HB3 LYS A 32 9.051 0.207 -9.121 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.743 3.167 -9.369 1.00 1.00 H new ATOM 0 HG3 LYS A 32 10.980 1.947 -9.597 1.00 1.00 H new ATOM 0 HD2 LYS A 32 9.620 0.859 -11.388 1.00 1.00 H new ATOM 0 HD3 LYS A 32 8.317 2.001 -11.124 1.00 1.00 H new ATOM 0 HE2 LYS A 32 9.835 3.887 -11.742 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.151 2.757 -11.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.052 3.282 -14.076 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 9.839 1.639 -13.704 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.563 2.735 -13.470 1.00 1.00 H new ATOM 519 N LEU A 33 6.224 0.181 -9.228 1.00 1.00 N ATOM 520 CA LEU A 33 5.227 -0.893 -9.202 1.00 1.00 C ATOM 521 C LEU A 33 5.725 -2.104 -9.985 1.00 1.00 C ATOM 522 O LEU A 33 5.851 -2.035 -11.207 1.00 1.00 O ATOM 523 CB LEU A 33 3.936 -0.397 -9.859 1.00 1.00 C ATOM 524 CG LEU A 33 3.348 0.800 -9.083 1.00 1.00 C ATOM 525 CD1 LEU A 33 2.458 1.624 -10.025 1.00 1.00 C ATOM 526 CD2 LEU A 33 2.497 0.298 -7.902 1.00 1.00 C ATOM 0 H LEU A 33 6.456 0.515 -10.163 1.00 1.00 H new ATOM 0 HA LEU A 33 5.050 -1.177 -8.165 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.137 -0.104 -10.890 1.00 1.00 H new ATOM 0 HB3 LEU A 33 3.207 -1.206 -9.894 1.00 1.00 H new ATOM 0 HG LEU A 33 4.164 1.414 -8.703 1.00 1.00 H new ATOM 0 HD11 LEU A 33 2.040 2.471 -9.482 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.053 1.988 -10.862 1.00 1.00 H new ATOM 0 HD13 LEU A 33 1.648 0.998 -10.400 1.00 1.00 H new ATOM 0 HD21 LEU A 33 2.087 1.151 -7.361 1.00 1.00 H new ATOM 0 HD22 LEU A 33 1.681 -0.320 -8.278 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.120 -0.293 -7.230 1.00 1.00 H new ATOM 538 N THR A 34 5.977 -3.213 -9.283 1.00 1.00 N ATOM 539 CA THR A 34 6.444 -4.442 -9.935 1.00 1.00 C ATOM 540 C THR A 34 6.531 -5.590 -8.933 1.00 1.00 C ATOM 541 O THR A 34 6.731 -5.372 -7.739 1.00 1.00 O ATOM 542 CB THR A 34 7.838 -4.242 -10.558 1.00 1.00 C ATOM 543 OG1 THR A 34 7.885 -3.015 -11.270 1.00 1.00 O ATOM 544 CG2 THR A 34 8.147 -5.388 -11.525 1.00 1.00 C ATOM 0 H THR A 34 5.867 -3.286 -8.272 1.00 1.00 H new ATOM 0 HA THR A 34 5.722 -4.683 -10.715 1.00 1.00 H new ATOM 0 HB THR A 34 8.576 -4.227 -9.756 1.00 1.00 H new ATOM 0 HG1 THR A 34 7.005 -2.828 -11.659 1.00 1.00 H new ATOM 0 HG21 THR A 34 9.135 -5.239 -11.962 1.00 1.00 H new ATOM 0 HG22 THR A 34 8.128 -6.335 -10.985 1.00 1.00 H new ATOM 0 HG23 THR A 34 7.399 -5.407 -12.318 1.00 1.00 H new ATOM 552 N GLY A 35 6.413 -6.821 -9.440 1.00 1.00 N ATOM 553 CA GLY A 35 6.515 -8.018 -8.600 1.00 1.00 C ATOM 554 C GLY A 35 5.156 -8.652 -8.322 1.00 1.00 C ATOM 555 O GLY A 35 4.146 -7.961 -8.197 1.00 1.00 O ATOM 0 H GLY A 35 6.247 -7.015 -10.428 1.00 1.00 H new ATOM 0 HA2 GLY A 35 7.160 -8.748 -9.089 1.00 1.00 H new ATOM 0 HA3 GLY A 35 6.990 -7.756 -7.655 1.00 1.00 H new ATOM 559 N SER A 36 5.155 -9.982 -8.218 1.00 1.00 N ATOM 560 CA SER A 36 3.934 -10.733 -7.949 1.00 1.00 C ATOM 561 C SER A 36 3.604 -10.751 -6.457 1.00 1.00 C ATOM 562 O SER A 36 2.448 -10.585 -6.076 1.00 1.00 O ATOM 563 CB SER A 36 4.087 -12.167 -8.457 1.00 1.00 C ATOM 564 OG SER A 36 4.192 -12.154 -9.873 1.00 1.00 O ATOM 0 H SER A 36 5.990 -10.560 -8.317 1.00 1.00 H new ATOM 0 HA SER A 36 3.115 -10.239 -8.471 1.00 1.00 H new ATOM 0 HB2 SER A 36 4.973 -12.628 -8.019 1.00 1.00 H new ATOM 0 HB3 SER A 36 3.231 -12.767 -8.150 1.00 1.00 H new ATOM 0 HG SER A 36 4.292 -13.072 -10.202 1.00 1.00 H new ATOM 570 N ALA A 37 4.620 -10.955 -5.616 1.00 1.00 N ATOM 571 CA ALA A 37 4.401 -10.982 -4.169 1.00 1.00 C ATOM 572 C ALA A 37 5.736 -10.977 -3.406 1.00 1.00 C ATOM 573 O ALA A 37 6.757 -11.450 -3.902 1.00 1.00 O ATOM 574 CB ALA A 37 3.553 -12.220 -3.790 1.00 1.00 C ATOM 0 H ALA A 37 5.587 -11.102 -5.905 1.00 1.00 H new ATOM 0 HA ALA A 37 3.857 -10.082 -3.883 1.00 1.00 H new ATOM 0 HB1 ALA A 37 3.393 -12.235 -2.712 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.590 -12.171 -4.299 1.00 1.00 H new ATOM 0 HB3 ALA A 37 4.078 -13.127 -4.092 1.00 1.00 H new ATOM 580 N ASN A 38 5.687 -10.440 -2.187 1.00 1.00 N ATOM 581 CA ASN A 38 6.848 -10.351 -1.306 1.00 1.00 C ATOM 582 C ASN A 38 8.013 -9.602 -1.949 1.00 1.00 C ATOM 583 O ASN A 38 9.036 -9.371 -1.304 1.00 1.00 O ATOM 584 CB ASN A 38 7.291 -11.740 -0.851 1.00 1.00 C ATOM 585 CG ASN A 38 8.243 -11.611 0.334 1.00 1.00 C ATOM 586 OD1 ASN A 38 9.367 -12.110 0.295 1.00 1.00 O ATOM 587 ND2 ASN A 38 7.839 -10.961 1.398 1.00 1.00 N ATOM 0 H ASN A 38 4.835 -10.053 -1.782 1.00 1.00 H new ATOM 0 HA ASN A 38 6.538 -9.775 -0.434 1.00 1.00 H new ATOM 0 HB2 ASN A 38 6.423 -12.336 -0.570 1.00 1.00 H new ATOM 0 HB3 ASN A 38 7.784 -12.262 -1.671 1.00 1.00 H new ATOM 0 HD21 ASN A 38 8.458 -10.865 2.203 1.00 1.00 H new ATOM 0 HD22 ASN A 38 6.905 -10.551 1.421 1.00 1.00 H new ATOM 594 N LYS A 39 7.845 -9.183 -3.199 1.00 1.00 N ATOM 595 CA LYS A 39 8.888 -8.415 -3.880 1.00 1.00 C ATOM 596 C LYS A 39 8.691 -6.925 -3.612 1.00 1.00 C ATOM 597 O LYS A 39 9.565 -6.104 -3.890 1.00 1.00 O ATOM 598 CB LYS A 39 8.854 -8.679 -5.376 1.00 1.00 C ATOM 599 CG LYS A 39 9.324 -10.104 -5.660 1.00 1.00 C ATOM 600 CD LYS A 39 9.328 -10.324 -7.167 1.00 1.00 C ATOM 601 CE LYS A 39 9.777 -11.752 -7.484 1.00 1.00 C ATOM 602 NZ LYS A 39 9.803 -11.945 -8.960 1.00 1.00 N ATOM 0 H LYS A 39 7.009 -9.358 -3.757 1.00 1.00 H new ATOM 0 HA LYS A 39 9.859 -8.727 -3.494 1.00 1.00 H new ATOM 0 HB2 LYS A 39 7.843 -8.537 -5.757 1.00 1.00 H new ATOM 0 HB3 LYS A 39 9.493 -7.965 -5.895 1.00 1.00 H new ATOM 0 HG2 LYS A 39 10.323 -10.261 -5.252 1.00 1.00 H new ATOM 0 HG3 LYS A 39 8.665 -10.823 -5.175 1.00 1.00 H new ATOM 0 HD2 LYS A 39 8.331 -10.149 -7.571 1.00 1.00 H new ATOM 0 HD3 LYS A 39 9.997 -9.609 -7.646 1.00 1.00 H new ATOM 0 HE2 LYS A 39 10.766 -11.936 -7.064 1.00 1.00 H new ATOM 0 HE3 LYS A 39 9.097 -12.469 -7.024 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 10.108 -12.915 -9.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 8.851 -11.786 -9.348 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 10.468 -11.269 -9.387 1.00 1.00 H new ATOM 616 N ALA A 40 7.526 -6.592 -3.060 1.00 1.00 N ATOM 617 CA ALA A 40 7.182 -5.205 -2.728 1.00 1.00 C ATOM 618 C ALA A 40 7.324 -4.977 -1.230 1.00 1.00 C ATOM 619 O ALA A 40 7.621 -5.915 -0.490 1.00 1.00 O ATOM 620 CB ALA A 40 5.747 -4.927 -3.143 1.00 1.00 C ATOM 0 H ALA A 40 6.797 -7.268 -2.831 1.00 1.00 H new ATOM 0 HA ALA A 40 7.857 -4.534 -3.259 1.00 1.00 H new ATOM 0 HB1 ALA A 40 5.490 -3.897 -2.897 1.00 1.00 H new ATOM 0 HB2 ALA A 40 5.643 -5.080 -4.217 1.00 1.00 H new ATOM 0 HB3 ALA A 40 5.077 -5.604 -2.613 1.00 1.00 H new ATOM 626 N SER A 41 7.097 -3.740 -0.773 1.00 1.00 N ATOM 627 CA SER A 41 7.198 -3.445 0.664 1.00 1.00 C ATOM 628 C SER A 41 5.809 -3.186 1.232 1.00 1.00 C ATOM 629 O SER A 41 5.386 -3.838 2.186 1.00 1.00 O ATOM 630 CB SER A 41 8.087 -2.225 0.890 1.00 1.00 C ATOM 631 OG SER A 41 8.489 -2.173 2.252 1.00 1.00 O ATOM 0 H SER A 41 6.848 -2.943 -1.359 1.00 1.00 H new ATOM 0 HA SER A 41 7.642 -4.301 1.172 1.00 1.00 H new ATOM 0 HB2 SER A 41 8.963 -2.276 0.244 1.00 1.00 H new ATOM 0 HB3 SER A 41 7.548 -1.316 0.625 1.00 1.00 H new ATOM 0 HG SER A 41 9.061 -1.390 2.395 1.00 1.00 H new ATOM 637 N LEU A 42 5.103 -2.239 0.620 1.00 1.00 N ATOM 638 CA LEU A 42 3.743 -1.893 1.032 1.00 1.00 C ATOM 639 C LEU A 42 2.766 -2.209 -0.102 1.00 1.00 C ATOM 640 O LEU A 42 2.869 -1.663 -1.201 1.00 1.00 O ATOM 641 CB LEU A 42 3.668 -0.392 1.378 1.00 1.00 C ATOM 642 CG LEU A 42 4.058 -0.143 2.846 1.00 1.00 C ATOM 643 CD1 LEU A 42 5.419 -0.780 3.156 1.00 1.00 C ATOM 644 CD2 LEU A 42 4.139 1.368 3.090 1.00 1.00 C ATOM 0 H LEU A 42 5.452 -1.694 -0.168 1.00 1.00 H new ATOM 0 HA LEU A 42 3.476 -2.477 1.912 1.00 1.00 H new ATOM 0 HB2 LEU A 42 4.333 0.170 0.721 1.00 1.00 H new ATOM 0 HB3 LEU A 42 2.658 -0.024 1.199 1.00 1.00 H new ATOM 0 HG LEU A 42 3.306 -0.591 3.495 1.00 1.00 H new ATOM 0 HD11 LEU A 42 5.679 -0.594 4.198 1.00 1.00 H new ATOM 0 HD12 LEU A 42 5.366 -1.855 2.981 1.00 1.00 H new ATOM 0 HD13 LEU A 42 6.180 -0.344 2.509 1.00 1.00 H new ATOM 0 HD21 LEU A 42 4.415 1.555 4.128 1.00 1.00 H new ATOM 0 HD22 LEU A 42 4.890 1.803 2.431 1.00 1.00 H new ATOM 0 HD23 LEU A 42 3.170 1.822 2.885 1.00 1.00 H new ATOM 656 N CYS A 43 1.814 -3.078 0.184 1.00 1.00 N ATOM 657 CA CYS A 43 0.798 -3.454 -0.796 1.00 1.00 C ATOM 658 C CYS A 43 -0.348 -2.454 -0.727 1.00 1.00 C ATOM 659 O CYS A 43 -0.732 -2.023 0.360 1.00 1.00 O ATOM 660 CB CYS A 43 0.287 -4.867 -0.508 1.00 1.00 C ATOM 661 SG CYS A 43 -1.239 -5.165 -1.440 1.00 1.00 S ATOM 0 H CYS A 43 1.719 -3.541 1.088 1.00 1.00 H new ATOM 0 HA CYS A 43 1.231 -3.444 -1.796 1.00 1.00 H new ATOM 0 HB2 CYS A 43 1.043 -5.601 -0.785 1.00 1.00 H new ATOM 0 HB3 CYS A 43 0.102 -4.987 0.559 1.00 1.00 H new ATOM 0 HG CYS A 43 -1.167 -4.568 -2.593 1.00 1.00 H new ATOM 667 N ILE A 44 -0.878 -2.058 -1.885 1.00 1.00 N ATOM 668 CA ILE A 44 -1.961 -1.079 -1.911 1.00 1.00 C ATOM 669 C ILE A 44 -3.313 -1.777 -1.856 1.00 1.00 C ATOM 670 O ILE A 44 -3.723 -2.459 -2.795 1.00 1.00 O ATOM 671 CB ILE A 44 -1.884 -0.234 -3.188 1.00 1.00 C ATOM 672 CG1 ILE A 44 -0.538 0.514 -3.238 1.00 1.00 C ATOM 673 CG2 ILE A 44 -3.050 0.759 -3.211 1.00 1.00 C ATOM 674 CD1 ILE A 44 -0.361 1.437 -2.017 1.00 1.00 C ATOM 0 H ILE A 44 -0.581 -2.394 -2.801 1.00 1.00 H new ATOM 0 HA ILE A 44 -1.854 -0.433 -1.040 1.00 1.00 H new ATOM 0 HB ILE A 44 -1.953 -0.882 -4.062 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.279 -0.207 -3.273 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.482 1.104 -4.153 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -2.997 1.361 -4.118 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -3.993 0.213 -3.192 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -2.990 1.411 -2.339 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.599 1.949 -2.084 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -1.165 2.173 -1.998 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.392 0.842 -1.104 1.00 1.00 H new ATOM 686 N SER A 45 -3.993 -1.596 -0.738 1.00 1.00 N ATOM 687 CA SER A 45 -5.305 -2.197 -0.540 1.00 1.00 C ATOM 688 C SER A 45 -5.987 -1.552 0.654 1.00 1.00 C ATOM 689 O SER A 45 -5.397 -1.425 1.726 1.00 1.00 O ATOM 690 CB SER A 45 -5.163 -3.703 -0.327 1.00 1.00 C ATOM 691 OG SER A 45 -6.403 -4.249 0.099 1.00 1.00 O ATOM 0 H SER A 45 -3.661 -1.038 0.048 1.00 1.00 H new ATOM 0 HA SER A 45 -5.917 -2.030 -1.427 1.00 1.00 H new ATOM 0 HB2 SER A 45 -4.844 -4.182 -1.253 1.00 1.00 H new ATOM 0 HB3 SER A 45 -4.392 -3.903 0.418 1.00 1.00 H new ATOM 0 HG SER A 45 -6.306 -5.215 0.233 1.00 1.00 H new ATOM 697 N THR A 46 -7.233 -1.154 0.460 1.00 1.00 N ATOM 698 CA THR A 46 -8.001 -0.519 1.522 1.00 1.00 C ATOM 699 C THR A 46 -8.616 -1.564 2.437 1.00 1.00 C ATOM 700 O THR A 46 -8.620 -2.753 2.125 1.00 1.00 O ATOM 701 CB THR A 46 -9.100 0.361 0.921 1.00 1.00 C ATOM 702 OG1 THR A 46 -10.159 -0.455 0.439 1.00 1.00 O ATOM 703 CG2 THR A 46 -8.511 1.191 -0.221 1.00 1.00 C ATOM 0 H THR A 46 -7.735 -1.258 -0.421 1.00 1.00 H new ATOM 0 HA THR A 46 -7.327 0.103 2.110 1.00 1.00 H new ATOM 0 HB THR A 46 -9.495 1.030 1.686 1.00 1.00 H new ATOM 0 HG1 THR A 46 -10.861 0.112 0.057 1.00 1.00 H new ATOM 0 HG21 THR A 46 -9.290 1.820 -0.653 1.00 1.00 H new ATOM 0 HG22 THR A 46 -7.708 1.820 0.163 1.00 1.00 H new ATOM 0 HG23 THR A 46 -8.115 0.525 -0.988 1.00 1.00 H new ATOM 711 N LYS A 47 -9.128 -1.117 3.573 1.00 1.00 N ATOM 712 CA LYS A 47 -9.730 -2.036 4.520 1.00 1.00 C ATOM 713 C LYS A 47 -10.879 -2.779 3.853 1.00 1.00 C ATOM 714 O LYS A 47 -11.070 -3.966 4.091 1.00 1.00 O ATOM 715 CB LYS A 47 -10.261 -1.274 5.737 1.00 1.00 C ATOM 716 CG LYS A 47 -10.689 -2.256 6.842 1.00 1.00 C ATOM 717 CD LYS A 47 -9.477 -2.665 7.710 1.00 1.00 C ATOM 718 CE LYS A 47 -9.293 -1.660 8.858 1.00 1.00 C ATOM 719 NZ LYS A 47 -10.151 -2.071 10.005 1.00 1.00 N ATOM 0 H LYS A 47 -9.138 -0.137 3.857 1.00 1.00 H new ATOM 0 HA LYS A 47 -8.971 -2.747 4.847 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -9.491 -0.602 6.117 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -11.109 -0.654 5.444 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -11.452 -1.795 7.469 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -11.137 -3.143 6.394 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -9.628 -3.667 8.113 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -8.576 -2.700 7.098 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -8.247 -1.625 9.164 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -9.562 -0.657 8.527 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -10.032 -1.396 10.787 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -11.147 -2.083 9.706 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -9.873 -3.021 10.323 1.00 1.00 H new ATOM 733 N LYS A 48 -11.642 -2.077 3.026 1.00 1.00 N ATOM 734 CA LYS A 48 -12.772 -2.692 2.347 1.00 1.00 C ATOM 735 C LYS A 48 -12.289 -3.884 1.523 1.00 1.00 C ATOM 736 O LYS A 48 -12.905 -4.945 1.537 1.00 1.00 O ATOM 737 CB LYS A 48 -13.439 -1.653 1.443 1.00 1.00 C ATOM 738 CG LYS A 48 -14.713 -2.218 0.814 1.00 1.00 C ATOM 739 CD LYS A 48 -15.363 -1.124 -0.036 1.00 1.00 C ATOM 740 CE LYS A 48 -16.651 -1.642 -0.678 1.00 1.00 C ATOM 741 NZ LYS A 48 -17.657 -1.940 0.381 1.00 1.00 N ATOM 0 H LYS A 48 -11.500 -1.090 2.811 1.00 1.00 H new ATOM 0 HA LYS A 48 -13.497 -3.047 3.079 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -13.679 -0.761 2.022 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -12.746 -1.348 0.659 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -14.478 -3.086 0.198 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -15.401 -2.554 1.590 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -15.582 -0.255 0.584 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -14.670 -0.796 -0.810 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -17.047 -0.900 -1.371 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -16.443 -2.541 -1.259 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -18.599 -2.028 -0.050 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -17.409 -2.832 0.855 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -17.666 -1.168 1.078 1.00 1.00 H new ATOM 755 N GLU A 49 -11.169 -3.699 0.832 1.00 1.00 N ATOM 756 CA GLU A 49 -10.576 -4.757 0.019 1.00 1.00 C ATOM 757 C GLU A 49 -10.099 -5.908 0.904 1.00 1.00 C ATOM 758 O GLU A 49 -10.207 -7.077 0.534 1.00 1.00 O ATOM 759 CB GLU A 49 -9.381 -4.213 -0.771 1.00 1.00 C ATOM 760 CG GLU A 49 -9.848 -3.152 -1.775 1.00 1.00 C ATOM 761 CD GLU A 49 -10.783 -3.778 -2.808 1.00 1.00 C ATOM 762 OE1 GLU A 49 -10.756 -4.989 -2.944 1.00 1.00 O ATOM 763 OE2 GLU A 49 -11.514 -3.036 -3.444 1.00 1.00 O ATOM 0 H GLU A 49 -10.650 -2.821 0.819 1.00 1.00 H new ATOM 0 HA GLU A 49 -11.338 -5.120 -0.670 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -8.650 -3.781 -0.087 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -8.882 -5.027 -1.297 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -10.361 -2.346 -1.251 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -8.986 -2.710 -2.275 1.00 1.00 H new ATOM 770 N VAL A 50 -9.557 -5.575 2.068 1.00 1.00 N ATOM 771 CA VAL A 50 -9.077 -6.597 2.991 1.00 1.00 C ATOM 772 C VAL A 50 -10.251 -7.415 3.534 1.00 1.00 C ATOM 773 O VAL A 50 -10.183 -8.636 3.646 1.00 1.00 O ATOM 774 CB VAL A 50 -8.334 -5.950 4.162 1.00 1.00 C ATOM 775 CG1 VAL A 50 -7.927 -7.025 5.174 1.00 1.00 C ATOM 776 CG2 VAL A 50 -7.083 -5.235 3.642 1.00 1.00 C ATOM 0 H VAL A 50 -9.439 -4.616 2.394 1.00 1.00 H new ATOM 0 HA VAL A 50 -8.397 -7.253 2.448 1.00 1.00 H new ATOM 0 HB VAL A 50 -8.989 -5.228 4.649 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -7.398 -6.560 6.006 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -8.818 -7.530 5.547 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -7.274 -7.752 4.690 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -6.554 -4.774 4.476 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -6.429 -5.956 3.152 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -7.374 -4.465 2.928 1.00 1.00 H new ATOM 786 N GLU A 51 -11.327 -6.721 3.888 1.00 1.00 N ATOM 787 CA GLU A 51 -12.510 -7.380 4.443 1.00 1.00 C ATOM 788 C GLU A 51 -13.013 -8.458 3.497 1.00 1.00 C ATOM 789 O GLU A 51 -13.774 -9.343 3.886 1.00 1.00 O ATOM 790 CB GLU A 51 -13.617 -6.351 4.699 1.00 1.00 C ATOM 791 CG GLU A 51 -13.211 -5.445 5.869 1.00 1.00 C ATOM 792 CD GLU A 51 -13.212 -6.232 7.174 1.00 1.00 C ATOM 793 OE1 GLU A 51 -13.892 -7.246 7.235 1.00 1.00 O ATOM 794 OE2 GLU A 51 -12.547 -5.803 8.102 1.00 1.00 O ATOM 0 H GLU A 51 -11.407 -5.708 3.802 1.00 1.00 H new ATOM 0 HA GLU A 51 -12.233 -7.847 5.388 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -13.787 -5.753 3.804 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -14.555 -6.858 4.926 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -12.220 -5.029 5.688 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -13.901 -4.604 5.943 1.00 1.00 H new ATOM 801 N LYS A 52 -12.575 -8.379 2.252 1.00 1.00 N ATOM 802 CA LYS A 52 -12.971 -9.349 1.242 1.00 1.00 C ATOM 803 C LYS A 52 -12.470 -10.730 1.640 1.00 1.00 C ATOM 804 O LYS A 52 -13.177 -11.728 1.502 1.00 1.00 O ATOM 805 CB LYS A 52 -12.326 -8.973 -0.089 1.00 1.00 C ATOM 806 CG LYS A 52 -12.641 -7.518 -0.456 1.00 1.00 C ATOM 807 CD LYS A 52 -14.102 -7.354 -0.856 1.00 1.00 C ATOM 808 CE LYS A 52 -14.355 -5.909 -1.277 1.00 1.00 C ATOM 809 NZ LYS A 52 -15.785 -5.749 -1.666 1.00 1.00 N ATOM 0 H LYS A 52 -11.944 -7.652 1.915 1.00 1.00 H new ATOM 0 HA LYS A 52 -14.057 -9.355 1.154 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -11.247 -9.111 -0.027 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -12.688 -9.637 -0.874 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -12.419 -6.870 0.392 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -11.999 -7.200 -1.277 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -14.344 -8.031 -1.676 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -14.751 -7.620 -0.021 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -14.112 -5.232 -0.458 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -13.708 -5.644 -2.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -15.959 -4.765 -1.953 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -16.002 -6.385 -2.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -16.394 -5.986 -0.857 1.00 1.00 H new ATOM 823 N MET A 53 -11.233 -10.768 2.120 1.00 1.00 N ATOM 824 CA MET A 53 -10.610 -12.022 2.526 1.00 1.00 C ATOM 825 C MET A 53 -10.687 -13.044 1.399 1.00 1.00 C ATOM 826 O MET A 53 -11.013 -14.211 1.615 1.00 1.00 O ATOM 827 CB MET A 53 -11.299 -12.558 3.780 1.00 1.00 C ATOM 828 CG MET A 53 -10.942 -11.666 4.970 1.00 1.00 C ATOM 829 SD MET A 53 -9.206 -11.957 5.427 1.00 1.00 S ATOM 830 CE MET A 53 -8.607 -10.251 5.308 1.00 1.00 C ATOM 0 H MET A 53 -10.642 -9.945 2.238 1.00 1.00 H new ATOM 0 HA MET A 53 -9.559 -11.839 2.750 1.00 1.00 H new ATOM 0 HB2 MET A 53 -12.379 -12.577 3.636 1.00 1.00 H new ATOM 0 HB3 MET A 53 -10.985 -13.584 3.972 1.00 1.00 H new ATOM 0 HG2 MET A 53 -11.093 -10.617 4.713 1.00 1.00 H new ATOM 0 HG3 MET A 53 -11.596 -11.885 5.814 1.00 1.00 H new ATOM 0 HE1 MET A 53 -7.683 -10.149 5.877 1.00 1.00 H new ATOM 0 HE2 MET A 53 -8.419 -10.003 4.263 1.00 1.00 H new ATOM 0 HE3 MET A 53 -9.358 -9.573 5.712 1.00 1.00 H new ATOM 840 N SER A 54 -10.373 -12.588 0.189 1.00 1.00 N ATOM 841 CA SER A 54 -10.394 -13.455 -0.985 1.00 1.00 C ATOM 842 C SER A 54 -9.059 -14.179 -1.132 1.00 1.00 C ATOM 843 O SER A 54 -8.136 -13.967 -0.344 1.00 1.00 O ATOM 844 CB SER A 54 -10.663 -12.635 -2.247 1.00 1.00 C ATOM 845 OG SER A 54 -10.650 -13.503 -3.374 1.00 1.00 O ATOM 0 H SER A 54 -10.101 -11.624 -0.004 1.00 1.00 H new ATOM 0 HA SER A 54 -11.191 -14.187 -0.854 1.00 1.00 H new ATOM 0 HB2 SER A 54 -11.627 -12.131 -2.171 1.00 1.00 H new ATOM 0 HB3 SER A 54 -9.906 -11.859 -2.360 1.00 1.00 H new ATOM 0 HG SER A 54 -10.824 -12.985 -4.188 1.00 1.00 H new ATOM 851 N LYS A 55 -8.965 -15.026 -2.149 1.00 1.00 N ATOM 852 CA LYS A 55 -7.739 -15.772 -2.405 1.00 1.00 C ATOM 853 C LYS A 55 -6.590 -14.819 -2.713 1.00 1.00 C ATOM 854 O LYS A 55 -5.455 -15.056 -2.311 1.00 1.00 O ATOM 855 CB LYS A 55 -7.938 -16.734 -3.577 1.00 1.00 C ATOM 856 CG LYS A 55 -8.898 -17.852 -3.166 1.00 1.00 C ATOM 857 CD LYS A 55 -9.131 -18.795 -4.347 1.00 1.00 C ATOM 858 CE LYS A 55 -10.080 -19.919 -3.921 1.00 1.00 C ATOM 859 NZ LYS A 55 -10.314 -20.838 -5.071 1.00 1.00 N ATOM 0 H LYS A 55 -9.720 -15.213 -2.808 1.00 1.00 H new ATOM 0 HA LYS A 55 -7.494 -16.345 -1.511 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -8.336 -16.197 -4.438 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -6.980 -17.157 -3.880 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -8.486 -18.406 -2.322 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -9.846 -17.427 -2.836 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -9.555 -18.245 -5.187 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -8.183 -19.213 -4.685 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -9.654 -20.470 -3.083 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -11.026 -19.500 -3.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -10.959 -21.601 -4.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -10.738 -20.308 -5.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -9.409 -21.248 -5.378 1.00 1.00 H new ATOM 873 N LYS A 56 -6.898 -13.747 -3.433 1.00 1.00 N ATOM 874 CA LYS A 56 -5.890 -12.762 -3.806 1.00 1.00 C ATOM 875 C LYS A 56 -5.269 -12.148 -2.552 1.00 1.00 C ATOM 876 O LYS A 56 -4.057 -11.942 -2.486 1.00 1.00 O ATOM 877 CB LYS A 56 -6.538 -11.653 -4.644 1.00 1.00 C ATOM 878 CG LYS A 56 -7.190 -12.238 -5.908 1.00 1.00 C ATOM 879 CD LYS A 56 -6.151 -12.922 -6.809 1.00 1.00 C ATOM 880 CE LYS A 56 -6.739 -13.133 -8.213 1.00 1.00 C ATOM 881 NZ LYS A 56 -6.551 -11.903 -9.031 1.00 1.00 N ATOM 0 H LYS A 56 -7.838 -13.538 -3.770 1.00 1.00 H new ATOM 0 HA LYS A 56 -5.112 -13.256 -4.389 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -7.289 -11.132 -4.049 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -5.786 -10.916 -4.925 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -7.957 -12.958 -5.624 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -7.689 -11.443 -6.463 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -5.250 -12.311 -6.870 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -5.858 -13.880 -6.380 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -6.253 -13.980 -8.697 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -7.800 -13.373 -8.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -6.951 -12.052 -9.979 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -7.035 -11.104 -8.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -5.536 -11.692 -9.113 1.00 1.00 H new ATOM 895 N MET A 57 -6.105 -11.865 -1.559 1.00 1.00 N ATOM 896 CA MET A 57 -5.634 -11.286 -0.304 1.00 1.00 C ATOM 897 C MET A 57 -4.695 -12.253 0.413 1.00 1.00 C ATOM 898 O MET A 57 -3.691 -11.841 0.994 1.00 1.00 O ATOM 899 CB MET A 57 -6.840 -10.940 0.600 1.00 1.00 C ATOM 900 CG MET A 57 -6.686 -9.538 1.200 1.00 1.00 C ATOM 901 SD MET A 57 -5.083 -9.409 2.037 1.00 1.00 S ATOM 902 CE MET A 57 -5.360 -10.662 3.312 1.00 1.00 C ATOM 0 H MET A 57 -7.111 -12.027 -1.598 1.00 1.00 H new ATOM 0 HA MET A 57 -5.082 -10.373 -0.525 1.00 1.00 H new ATOM 0 HB2 MET A 57 -7.762 -10.993 0.021 1.00 1.00 H new ATOM 0 HB3 MET A 57 -6.923 -11.676 1.400 1.00 1.00 H new ATOM 0 HG2 MET A 57 -6.760 -8.785 0.415 1.00 1.00 H new ATOM 0 HG3 MET A 57 -7.493 -9.343 1.906 1.00 1.00 H new ATOM 0 HE1 MET A 57 -4.927 -10.325 4.254 1.00 1.00 H new ATOM 0 HE2 MET A 57 -6.431 -10.819 3.441 1.00 1.00 H new ATOM 0 HE3 MET A 57 -4.889 -11.598 3.011 1.00 1.00 H new ATOM 912 N GLU A 58 -5.033 -13.533 0.362 1.00 1.00 N ATOM 913 CA GLU A 58 -4.225 -14.550 1.013 1.00 1.00 C ATOM 914 C GLU A 58 -2.802 -14.523 0.461 1.00 1.00 C ATOM 915 O GLU A 58 -1.854 -14.825 1.179 1.00 1.00 O ATOM 916 CB GLU A 58 -4.840 -15.933 0.790 1.00 1.00 C ATOM 917 CG GLU A 58 -6.167 -16.030 1.544 1.00 1.00 C ATOM 918 CD GLU A 58 -6.814 -17.385 1.279 1.00 1.00 C ATOM 919 OE1 GLU A 58 -6.264 -18.138 0.493 1.00 1.00 O ATOM 920 OE2 GLU A 58 -7.857 -17.644 1.858 1.00 1.00 O ATOM 0 H GLU A 58 -5.857 -13.890 -0.121 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.196 -14.341 2.082 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.001 -16.103 -0.274 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.155 -16.707 1.137 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -5.999 -15.900 2.613 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -6.835 -15.229 1.227 1.00 1.00 H new ATOM 927 N GLU A 59 -2.650 -14.170 -0.818 1.00 1.00 N ATOM 928 CA GLU A 59 -1.316 -14.127 -1.419 1.00 1.00 C ATOM 929 C GLU A 59 -0.492 -13.028 -0.767 1.00 1.00 C ATOM 930 O GLU A 59 0.671 -13.231 -0.442 1.00 1.00 O ATOM 931 CB GLU A 59 -1.395 -13.875 -2.927 1.00 1.00 C ATOM 932 CG GLU A 59 -2.590 -14.621 -3.501 1.00 1.00 C ATOM 933 CD GLU A 59 -2.594 -14.530 -5.022 1.00 1.00 C ATOM 934 OE1 GLU A 59 -1.668 -13.950 -5.564 1.00 1.00 O ATOM 935 OE2 GLU A 59 -3.525 -15.038 -5.623 1.00 1.00 O ATOM 0 H GLU A 59 -3.414 -13.916 -1.444 1.00 1.00 H new ATOM 0 HA GLU A 59 -0.841 -15.094 -1.255 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -1.490 -12.807 -3.124 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.477 -14.208 -3.411 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -2.556 -15.666 -3.193 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -3.514 -14.201 -3.103 1.00 1.00 H new ATOM 942 N VAL A 60 -1.114 -11.874 -0.563 1.00 1.00 N ATOM 943 CA VAL A 60 -0.428 -10.752 0.073 1.00 1.00 C ATOM 944 C VAL A 60 -0.016 -11.171 1.473 1.00 1.00 C ATOM 945 O VAL A 60 1.106 -10.936 1.922 1.00 1.00 O ATOM 946 CB VAL A 60 -1.374 -9.558 0.166 1.00 1.00 C ATOM 947 CG1 VAL A 60 -0.710 -8.413 0.933 1.00 1.00 C ATOM 948 CG2 VAL A 60 -1.751 -9.093 -1.239 1.00 1.00 C ATOM 0 H VAL A 60 -2.082 -11.689 -0.825 1.00 1.00 H new ATOM 0 HA VAL A 60 0.447 -10.472 -0.513 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.274 -9.860 0.701 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -1.396 -7.568 0.992 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.459 -8.747 1.940 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.199 -8.107 0.415 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -2.427 -8.240 -1.171 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -0.851 -8.800 -1.779 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -2.245 -9.906 -1.771 1.00 1.00 H new ATOM 958 N LYS A 61 -0.962 -11.804 2.142 1.00 1.00 N ATOM 959 CA LYS A 61 -0.780 -12.294 3.495 1.00 1.00 C ATOM 960 C LYS A 61 0.334 -13.342 3.579 1.00 1.00 C ATOM 961 O LYS A 61 1.190 -13.278 4.459 1.00 1.00 O ATOM 962 CB LYS A 61 -2.112 -12.905 3.920 1.00 1.00 C ATOM 963 CG LYS A 61 -2.046 -13.420 5.352 1.00 1.00 C ATOM 964 CD LYS A 61 -3.401 -14.023 5.725 1.00 1.00 C ATOM 965 CE LYS A 61 -3.343 -14.512 7.162 1.00 1.00 C ATOM 966 NZ LYS A 61 -4.655 -15.100 7.550 1.00 1.00 N ATOM 0 H LYS A 61 -1.887 -11.994 1.757 1.00 1.00 H new ATOM 0 HA LYS A 61 -0.483 -11.476 4.151 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -2.902 -12.159 3.835 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -2.372 -13.723 3.248 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -1.261 -14.170 5.447 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -1.795 -12.607 6.034 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -4.189 -13.278 5.612 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.644 -14.848 5.055 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -2.554 -15.257 7.270 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -3.094 -13.685 7.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -4.609 -15.433 8.534 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -5.398 -14.378 7.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -4.875 -15.901 6.924 1.00 1.00 H new ATOM 980 N ALA A 62 0.310 -14.302 2.661 1.00 1.00 N ATOM 981 CA ALA A 62 1.315 -15.362 2.632 1.00 1.00 C ATOM 982 C ALA A 62 2.611 -14.835 2.030 1.00 1.00 C ATOM 983 O ALA A 62 3.659 -15.477 2.108 1.00 1.00 O ATOM 984 CB ALA A 62 0.800 -16.531 1.792 1.00 1.00 C ATOM 0 H ALA A 62 -0.394 -14.369 1.926 1.00 1.00 H new ATOM 0 HA ALA A 62 1.506 -15.700 3.650 1.00 1.00 H new ATOM 0 HB1 ALA A 62 1.550 -17.322 1.770 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -0.121 -16.916 2.230 1.00 1.00 H new ATOM 0 HB3 ALA A 62 0.603 -16.190 0.776 1.00 1.00 H new ATOM 990 N ALA A 63 2.520 -13.654 1.427 1.00 1.00 N ATOM 991 CA ALA A 63 3.674 -13.016 0.805 1.00 1.00 C ATOM 992 C ALA A 63 4.416 -12.183 1.831 1.00 1.00 C ATOM 993 O ALA A 63 5.489 -11.649 1.553 1.00 1.00 O ATOM 994 CB ALA A 63 3.221 -12.109 -0.336 1.00 1.00 C ATOM 0 H ALA A 63 1.655 -13.118 1.356 1.00 1.00 H new ATOM 0 HA ALA A 63 4.332 -13.792 0.414 1.00 1.00 H new ATOM 0 HB1 ALA A 63 4.091 -11.638 -0.793 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.694 -12.701 -1.084 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.554 -11.340 0.054 1.00 1.00 H new ATOM 1000 N ASN A 64 3.824 -12.080 3.015 1.00 1.00 N ATOM 1001 CA ASN A 64 4.418 -11.319 4.097 1.00 1.00 C ATOM 1002 C ASN A 64 4.681 -9.878 3.681 1.00 1.00 C ATOM 1003 O ASN A 64 5.794 -9.375 3.839 1.00 1.00 O ATOM 1004 CB ASN A 64 5.726 -11.988 4.531 1.00 1.00 C ATOM 1005 CG ASN A 64 5.422 -13.219 5.377 1.00 1.00 C ATOM 1006 OD1 ASN A 64 4.464 -13.171 6.263 1.00 1.00 O flip ATOM 1007 ND2 ASN A 64 6.072 -14.251 5.223 1.00 1.00 N flip ATOM 0 H ASN A 64 2.932 -12.516 3.246 1.00 1.00 H new ATOM 0 HA ASN A 64 3.718 -11.302 4.932 1.00 1.00 H new ATOM 0 HB2 ASN A 64 6.308 -12.273 3.654 1.00 1.00 H new ATOM 0 HB3 ASN A 64 6.333 -11.285 5.101 1.00 1.00 H new ATOM 0 HD21 ASN A 64 6.819 -14.284 4.530 1.00 1.00 H new ATOM 0 HD22 ASN A 64 5.864 -15.074 5.788 1.00 1.00 H new ATOM 1014 N VAL A 65 3.641 -9.203 3.187 1.00 1.00 N ATOM 1015 CA VAL A 65 3.758 -7.805 2.789 1.00 1.00 C ATOM 1016 C VAL A 65 2.708 -6.993 3.531 1.00 1.00 C ATOM 1017 O VAL A 65 1.521 -7.301 3.465 1.00 1.00 O ATOM 1018 CB VAL A 65 3.533 -7.691 1.279 1.00 1.00 C ATOM 1019 CG1 VAL A 65 3.436 -6.223 0.849 1.00 1.00 C ATOM 1020 CG2 VAL A 65 4.696 -8.364 0.568 1.00 1.00 C ATOM 0 H VAL A 65 2.712 -9.603 3.055 1.00 1.00 H new ATOM 0 HA VAL A 65 4.751 -7.426 3.033 1.00 1.00 H new ATOM 0 HB VAL A 65 2.594 -8.178 1.016 1.00 1.00 H new ATOM 0 HG11 VAL A 65 3.276 -6.169 -0.228 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.601 -5.747 1.364 1.00 1.00 H new ATOM 0 HG13 VAL A 65 4.361 -5.707 1.105 1.00 1.00 H new ATOM 0 HG21 VAL A 65 4.553 -8.293 -0.510 1.00 1.00 H new ATOM 0 HG22 VAL A 65 5.627 -7.869 0.844 1.00 1.00 H new ATOM 0 HG23 VAL A 65 4.743 -9.413 0.859 1.00 1.00 H new ATOM 1030 N ARG A 66 3.144 -5.955 4.225 1.00 1.00 N ATOM 1031 CA ARG A 66 2.206 -5.125 4.967 1.00 1.00 C ATOM 1032 C ARG A 66 1.238 -4.460 3.998 1.00 1.00 C ATOM 1033 O ARG A 66 1.593 -4.151 2.861 1.00 1.00 O ATOM 1034 CB ARG A 66 2.937 -4.056 5.783 1.00 1.00 C ATOM 1035 CG ARG A 66 1.955 -3.431 6.785 1.00 1.00 C ATOM 1036 CD ARG A 66 2.636 -2.289 7.544 1.00 1.00 C ATOM 1037 NE ARG A 66 3.775 -2.789 8.305 1.00 1.00 N ATOM 1038 CZ ARG A 66 3.608 -3.473 9.429 1.00 1.00 C ATOM 1039 NH1 ARG A 66 2.406 -3.703 9.882 1.00 1.00 N ATOM 1040 NH2 ARG A 66 4.649 -3.918 10.080 1.00 1.00 N ATOM 0 H ARG A 66 4.121 -5.670 4.291 1.00 1.00 H new ATOM 0 HA ARG A 66 1.657 -5.763 5.659 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.782 -4.498 6.310 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.340 -3.288 5.122 1.00 1.00 H new ATOM 0 HG2 ARG A 66 1.076 -3.056 6.260 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.608 -4.189 7.487 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.968 -1.525 6.841 1.00 1.00 H new ATOM 0 HD3 ARG A 66 1.922 -1.815 8.217 1.00 1.00 H new ATOM 0 HE ARG A 66 4.720 -2.609 7.966 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.594 -3.357 9.372 1.00 1.00 H new ATOM 0 HH12 ARG A 66 2.279 -4.229 10.747 1.00 1.00 H new ATOM 0 HH21 ARG A 66 5.588 -3.739 9.724 1.00 1.00 H new ATOM 0 HH22 ARG A 66 4.523 -4.444 10.945 1.00 1.00 H new ATOM 1054 N VAL A 67 0.013 -4.246 4.461 1.00 1.00 N ATOM 1055 CA VAL A 67 -1.026 -3.622 3.646 1.00 1.00 C ATOM 1056 C VAL A 67 -1.437 -2.289 4.256 1.00 1.00 C ATOM 1057 O VAL A 67 -1.731 -2.200 5.448 1.00 1.00 O ATOM 1058 CB VAL A 67 -2.254 -4.545 3.567 1.00 1.00 C ATOM 1059 CG1 VAL A 67 -3.457 -3.771 3.015 1.00 1.00 C ATOM 1060 CG2 VAL A 67 -1.955 -5.718 2.631 1.00 1.00 C ATOM 0 H VAL A 67 -0.288 -4.497 5.403 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.632 -3.454 2.644 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.481 -4.913 4.568 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -4.322 -4.432 2.962 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.682 -2.931 3.672 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -3.224 -3.399 2.017 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.826 -6.371 2.576 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.722 -5.339 1.636 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.103 -6.281 3.013 1.00 1.00 H new ATOM 1070 N VAL A 68 -1.466 -1.261 3.417 1.00 1.00 N ATOM 1071 CA VAL A 68 -1.853 0.075 3.853 1.00 1.00 C ATOM 1072 C VAL A 68 -2.830 0.666 2.850 1.00 1.00 C ATOM 1073 O VAL A 68 -2.889 0.228 1.701 1.00 1.00 O ATOM 1074 CB VAL A 68 -0.614 0.970 3.941 1.00 1.00 C ATOM 1075 CG1 VAL A 68 0.403 0.337 4.889 1.00 1.00 C ATOM 1076 CG2 VAL A 68 0.007 1.125 2.550 1.00 1.00 C ATOM 0 H VAL A 68 -1.225 -1.327 2.428 1.00 1.00 H new ATOM 0 HA VAL A 68 -2.323 0.013 4.834 1.00 1.00 H new ATOM 0 HB VAL A 68 -0.900 1.952 4.319 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.286 0.973 4.953 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -0.040 0.230 5.879 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.690 -0.645 4.512 1.00 1.00 H new ATOM 0 HG21 VAL A 68 0.889 1.762 2.614 1.00 1.00 H new ATOM 0 HG22 VAL A 68 0.294 0.145 2.169 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -0.720 1.578 1.876 1.00 1.00 H new ATOM 1086 N CYS A 69 -3.579 1.670 3.272 1.00 1.00 N ATOM 1087 CA CYS A 69 -4.525 2.310 2.376 1.00 1.00 C ATOM 1088 C CYS A 69 -3.758 3.189 1.397 1.00 1.00 C ATOM 1089 O CYS A 69 -2.658 3.650 1.699 1.00 1.00 O ATOM 1090 CB CYS A 69 -5.538 3.132 3.180 1.00 1.00 C ATOM 1091 SG CYS A 69 -6.362 4.337 2.106 1.00 1.00 S ATOM 0 H CYS A 69 -3.552 2.055 4.216 1.00 1.00 H new ATOM 0 HA CYS A 69 -5.079 1.556 1.817 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -6.278 2.470 3.631 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -5.032 3.648 3.996 1.00 1.00 H new ATOM 0 HG CYS A 69 -7.219 5.024 2.802 1.00 1.00 H new ATOM 1097 N GLU A 70 -4.326 3.389 0.220 1.00 1.00 N ATOM 1098 CA GLU A 70 -3.665 4.180 -0.805 1.00 1.00 C ATOM 1099 C GLU A 70 -3.521 5.626 -0.351 1.00 1.00 C ATOM 1100 O GLU A 70 -2.542 6.290 -0.682 1.00 1.00 O ATOM 1101 CB GLU A 70 -4.446 4.101 -2.110 1.00 1.00 C ATOM 1102 CG GLU A 70 -3.637 4.769 -3.215 1.00 1.00 C ATOM 1103 CD GLU A 70 -4.360 4.617 -4.542 1.00 1.00 C ATOM 1104 OE1 GLU A 70 -5.537 4.300 -4.514 1.00 1.00 O ATOM 1105 OE2 GLU A 70 -3.735 4.838 -5.566 1.00 1.00 O ATOM 0 H GLU A 70 -5.237 3.018 -0.049 1.00 1.00 H new ATOM 0 HA GLU A 70 -2.667 3.775 -0.972 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -4.646 3.061 -2.366 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -5.412 4.594 -2.001 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -3.494 5.825 -2.987 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -2.646 4.319 -3.276 1.00 1.00 H new ATOM 1112 N ASP A 71 -4.485 6.102 0.429 1.00 1.00 N ATOM 1113 CA ASP A 71 -4.431 7.467 0.947 1.00 1.00 C ATOM 1114 C ASP A 71 -3.037 7.737 1.511 1.00 1.00 C ATOM 1115 O ASP A 71 -2.630 8.885 1.690 1.00 1.00 O ATOM 1116 CB ASP A 71 -5.474 7.643 2.057 1.00 1.00 C ATOM 1117 CG ASP A 71 -5.715 9.127 2.320 1.00 1.00 C ATOM 1118 OD1 ASP A 71 -5.834 9.867 1.358 1.00 1.00 O ATOM 1119 OD2 ASP A 71 -5.769 9.501 3.480 1.00 1.00 O ATOM 0 H ASP A 71 -5.307 5.570 0.715 1.00 1.00 H new ATOM 0 HA ASP A 71 -4.644 8.169 0.141 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -6.408 7.160 1.769 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -5.131 7.155 2.969 1.00 1.00 H new ATOM 1124 N PHE A 72 -2.303 6.653 1.749 1.00 1.00 N ATOM 1125 CA PHE A 72 -0.940 6.734 2.255 1.00 1.00 C ATOM 1126 C PHE A 72 -0.087 7.550 1.293 1.00 1.00 C ATOM 1127 O PHE A 72 0.780 8.314 1.707 1.00 1.00 O ATOM 1128 CB PHE A 72 -0.335 5.331 2.380 1.00 1.00 C ATOM 1129 CG PHE A 72 1.102 5.447 2.840 1.00 1.00 C ATOM 1130 CD1 PHE A 72 2.108 5.763 1.912 1.00 1.00 C ATOM 1131 CD2 PHE A 72 1.434 5.244 4.186 1.00 1.00 C ATOM 1132 CE1 PHE A 72 3.434 5.876 2.330 1.00 1.00 C ATOM 1133 CE2 PHE A 72 2.769 5.353 4.602 1.00 1.00 C ATOM 1134 CZ PHE A 72 3.767 5.672 3.673 1.00 1.00 C ATOM 0 H PHE A 72 -2.636 5.701 1.597 1.00 1.00 H new ATOM 0 HA PHE A 72 -0.961 7.209 3.236 1.00 1.00 H new ATOM 0 HB2 PHE A 72 -0.910 4.736 3.090 1.00 1.00 H new ATOM 0 HB3 PHE A 72 -0.382 4.815 1.421 1.00 1.00 H new ATOM 0 HD1 PHE A 72 1.855 5.919 0.874 1.00 1.00 H new ATOM 0 HD2 PHE A 72 0.663 5.004 4.903 1.00 1.00 H new ATOM 0 HE1 PHE A 72 4.205 6.122 1.615 1.00 1.00 H new ATOM 0 HE2 PHE A 72 3.027 5.191 5.638 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.794 5.761 3.994 1.00 1.00 H new ATOM 1144 N LEU A 73 -0.310 7.342 -0.004 1.00 1.00 N ATOM 1145 CA LEU A 73 0.473 8.028 -1.026 1.00 1.00 C ATOM 1146 C LEU A 73 0.325 9.535 -0.863 1.00 1.00 C ATOM 1147 O LEU A 73 1.302 10.278 -0.962 1.00 1.00 O ATOM 1148 CB LEU A 73 -0.041 7.644 -2.420 1.00 1.00 C ATOM 1149 CG LEU A 73 0.180 6.155 -2.717 1.00 1.00 C ATOM 1150 CD1 LEU A 73 -0.446 5.844 -4.080 1.00 1.00 C ATOM 1151 CD2 LEU A 73 1.676 5.820 -2.758 1.00 1.00 C ATOM 0 H LEU A 73 -1.021 6.708 -0.368 1.00 1.00 H new ATOM 0 HA LEU A 73 1.518 7.738 -0.917 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.104 7.876 -2.492 1.00 1.00 H new ATOM 0 HB3 LEU A 73 0.468 8.245 -3.174 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.280 5.557 -1.930 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.302 4.789 -4.314 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.513 6.067 -4.050 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.030 6.455 -4.847 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.806 4.759 -2.970 1.00 1.00 H new ATOM 0 HD22 LEU A 73 2.159 6.408 -3.539 1.00 1.00 H new ATOM 0 HD23 LEU A 73 2.128 6.055 -1.794 1.00 1.00 H new ATOM 1163 N GLN A 74 -0.898 9.976 -0.602 1.00 1.00 N ATOM 1164 CA GLN A 74 -1.163 11.396 -0.410 1.00 1.00 C ATOM 1165 C GLN A 74 -0.545 11.880 0.897 1.00 1.00 C ATOM 1166 O GLN A 74 -0.110 13.026 1.007 1.00 1.00 O ATOM 1167 CB GLN A 74 -2.677 11.647 -0.383 1.00 1.00 C ATOM 1168 CG GLN A 74 -3.284 11.246 -1.730 1.00 1.00 C ATOM 1169 CD GLN A 74 -2.707 12.114 -2.842 1.00 1.00 C ATOM 1170 OE1 GLN A 74 -2.875 13.334 -2.834 1.00 1.00 O ATOM 1171 NE2 GLN A 74 -2.010 11.554 -3.790 1.00 1.00 N ATOM 0 H GLN A 74 -1.718 9.375 -0.519 1.00 1.00 H new ATOM 0 HA GLN A 74 -0.718 11.946 -1.239 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -3.137 11.073 0.421 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -2.879 12.699 -0.180 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -3.077 10.195 -1.933 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -4.368 11.356 -1.697 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -1.873 10.543 -3.793 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -1.601 12.126 -4.529 1.00 1.00 H new ATOM 1180 N ASP A 75 -0.557 11.001 1.893 1.00 1.00 N ATOM 1181 CA ASP A 75 -0.037 11.336 3.219 1.00 1.00 C ATOM 1182 C ASP A 75 1.453 11.661 3.194 1.00 1.00 C ATOM 1183 O ASP A 75 1.869 12.682 3.734 1.00 1.00 O ATOM 1184 CB ASP A 75 -0.285 10.167 4.177 1.00 1.00 C ATOM 1185 CG ASP A 75 -1.768 10.074 4.526 1.00 1.00 C ATOM 1186 OD1 ASP A 75 -2.469 11.054 4.335 1.00 1.00 O ATOM 1187 OD2 ASP A 75 -2.186 9.016 4.964 1.00 1.00 O ATOM 0 H ASP A 75 -0.920 10.051 1.810 1.00 1.00 H new ATOM 0 HA ASP A 75 -0.563 12.228 3.559 1.00 1.00 H new ATOM 0 HB2 ASP A 75 0.047 9.235 3.719 1.00 1.00 H new ATOM 0 HB3 ASP A 75 0.302 10.302 5.086 1.00 1.00 H new ATOM 1192 N VAL A 76 2.263 10.806 2.577 1.00 1.00 N ATOM 1193 CA VAL A 76 3.693 11.074 2.529 1.00 1.00 C ATOM 1194 C VAL A 76 3.960 12.314 1.691 1.00 1.00 C ATOM 1195 O VAL A 76 4.815 13.131 2.021 1.00 1.00 O ATOM 1196 CB VAL A 76 4.480 9.878 1.964 1.00 1.00 C ATOM 1197 CG1 VAL A 76 4.556 8.762 3.007 1.00 1.00 C ATOM 1198 CG2 VAL A 76 3.800 9.344 0.696 1.00 1.00 C ATOM 0 H VAL A 76 1.964 9.946 2.116 1.00 1.00 H new ATOM 0 HA VAL A 76 4.034 11.242 3.551 1.00 1.00 H new ATOM 0 HB VAL A 76 5.487 10.213 1.716 1.00 1.00 H new ATOM 0 HG11 VAL A 76 5.115 7.920 2.599 1.00 1.00 H new ATOM 0 HG12 VAL A 76 5.059 9.132 3.900 1.00 1.00 H new ATOM 0 HG13 VAL A 76 3.548 8.437 3.267 1.00 1.00 H new ATOM 0 HG21 VAL A 76 4.367 8.498 0.307 1.00 1.00 H new ATOM 0 HG22 VAL A 76 2.786 9.022 0.935 1.00 1.00 H new ATOM 0 HG23 VAL A 76 3.762 10.132 -0.056 1.00 1.00 H new ATOM 1208 N SER A 77 3.213 12.439 0.601 1.00 1.00 N ATOM 1209 CA SER A 77 3.362 13.576 -0.300 1.00 1.00 C ATOM 1210 C SER A 77 3.037 14.892 0.401 1.00 1.00 C ATOM 1211 O SER A 77 3.707 15.903 0.186 1.00 1.00 O ATOM 1212 CB SER A 77 2.453 13.404 -1.517 1.00 1.00 C ATOM 1213 OG SER A 77 2.904 12.293 -2.283 1.00 1.00 O ATOM 0 H SER A 77 2.498 11.768 0.319 1.00 1.00 H new ATOM 0 HA SER A 77 4.403 13.610 -0.622 1.00 1.00 H new ATOM 0 HB2 SER A 77 1.423 13.247 -1.197 1.00 1.00 H new ATOM 0 HB3 SER A 77 2.464 14.309 -2.125 1.00 1.00 H new ATOM 0 HG SER A 77 2.571 11.463 -1.883 1.00 1.00 H new ATOM 1219 N ALA A 78 1.988 14.884 1.221 1.00 1.00 N ATOM 1220 CA ALA A 78 1.565 16.094 1.928 1.00 1.00 C ATOM 1221 C ALA A 78 2.097 16.133 3.356 1.00 1.00 C ATOM 1222 O ALA A 78 2.916 16.985 3.701 1.00 1.00 O ATOM 1223 CB ALA A 78 0.038 16.162 1.966 1.00 1.00 C ATOM 0 H ALA A 78 1.418 14.060 1.412 1.00 1.00 H new ATOM 0 HA ALA A 78 1.972 16.948 1.387 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -0.273 17.064 2.493 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -0.351 16.184 0.948 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -0.352 15.286 2.484 1.00 1.00 H new ATOM 1229 N SER A 79 1.609 15.221 4.187 1.00 1.00 N ATOM 1230 CA SER A 79 2.018 15.178 5.588 1.00 1.00 C ATOM 1231 C SER A 79 3.525 14.938 5.712 1.00 1.00 C ATOM 1232 O SER A 79 4.216 15.642 6.450 1.00 1.00 O ATOM 1233 CB SER A 79 1.236 14.074 6.304 1.00 1.00 C ATOM 1234 OG SER A 79 1.232 14.330 7.700 1.00 1.00 O ATOM 0 H SER A 79 0.934 14.505 3.919 1.00 1.00 H new ATOM 0 HA SER A 79 1.799 16.139 6.053 1.00 1.00 H new ATOM 0 HB2 SER A 79 0.214 14.034 5.927 1.00 1.00 H new ATOM 0 HB3 SER A 79 1.688 13.103 6.102 1.00 1.00 H new ATOM 0 HG SER A 79 0.402 13.988 8.093 1.00 1.00 H new ATOM 1240 N ALA A 80 4.031 13.970 4.958 1.00 1.00 N ATOM 1241 CA ALA A 80 5.465 13.663 4.956 1.00 1.00 C ATOM 1242 C ALA A 80 6.060 13.627 6.367 1.00 1.00 C ATOM 1243 O ALA A 80 7.162 14.129 6.593 1.00 1.00 O ATOM 1244 CB ALA A 80 6.205 14.704 4.111 1.00 1.00 C ATOM 0 H ALA A 80 3.474 13.381 4.339 1.00 1.00 H new ATOM 0 HA ALA A 80 5.587 12.667 4.530 1.00 1.00 H new ATOM 0 HB1 ALA A 80 7.271 14.478 4.108 1.00 1.00 H new ATOM 0 HB2 ALA A 80 5.826 14.680 3.089 1.00 1.00 H new ATOM 0 HB3 ALA A 80 6.045 15.696 4.534 1.00 1.00 H new ATOM 1250 N LYS A 81 5.343 13.021 7.312 1.00 1.00 N ATOM 1251 CA LYS A 81 5.844 12.924 8.685 1.00 1.00 C ATOM 1252 C LYS A 81 6.738 11.711 8.835 1.00 1.00 C ATOM 1253 O LYS A 81 7.232 11.150 7.857 1.00 1.00 O ATOM 1254 CB LYS A 81 4.698 12.790 9.685 1.00 1.00 C ATOM 1255 CG LYS A 81 3.720 13.920 9.455 1.00 1.00 C ATOM 1256 CD LYS A 81 2.606 13.904 10.511 1.00 1.00 C ATOM 1257 CE LYS A 81 1.698 12.683 10.316 1.00 1.00 C ATOM 1258 NZ LYS A 81 0.462 12.850 11.133 1.00 1.00 N ATOM 0 H LYS A 81 4.429 12.596 7.158 1.00 1.00 H new ATOM 0 HA LYS A 81 6.402 13.838 8.889 1.00 1.00 H new ATOM 0 HB2 LYS A 81 4.200 11.828 9.562 1.00 1.00 H new ATOM 0 HB3 LYS A 81 5.081 12.823 10.705 1.00 1.00 H new ATOM 0 HG2 LYS A 81 4.246 14.874 9.490 1.00 1.00 H new ATOM 0 HG3 LYS A 81 3.284 13.832 8.460 1.00 1.00 H new ATOM 0 HD2 LYS A 81 3.043 13.884 11.509 1.00 1.00 H new ATOM 0 HD3 LYS A 81 2.016 14.818 10.440 1.00 1.00 H new ATOM 0 HE2 LYS A 81 1.439 12.573 9.263 1.00 1.00 H new ATOM 0 HE3 LYS A 81 2.223 11.775 10.612 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -0.155 12.023 11.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 0.719 12.935 12.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -0.041 13.709 10.830 1.00 1.00 H new ATOM 1272 N SER A 82 6.916 11.307 10.073 1.00 1.00 N ATOM 1273 CA SER A 82 7.734 10.139 10.376 1.00 1.00 C ATOM 1274 C SER A 82 7.109 8.904 9.738 1.00 1.00 C ATOM 1275 O SER A 82 5.885 8.780 9.668 1.00 1.00 O ATOM 1276 CB SER A 82 7.841 9.947 11.890 1.00 1.00 C ATOM 1277 OG SER A 82 8.756 10.895 12.425 1.00 1.00 O ATOM 0 H SER A 82 6.509 11.764 10.889 1.00 1.00 H new ATOM 0 HA SER A 82 8.735 10.289 9.972 1.00 1.00 H new ATOM 0 HB2 SER A 82 6.862 10.070 12.353 1.00 1.00 H new ATOM 0 HB3 SER A 82 8.176 8.935 12.116 1.00 1.00 H new ATOM 0 HG SER A 82 8.823 10.773 13.395 1.00 1.00 H new ATOM 1283 N LEU A 83 7.957 8.017 9.245 1.00 1.00 N ATOM 1284 CA LEU A 83 7.485 6.811 8.579 1.00 1.00 C ATOM 1285 C LEU A 83 6.707 5.928 9.540 1.00 1.00 C ATOM 1286 O LEU A 83 5.654 5.389 9.199 1.00 1.00 O ATOM 1287 CB LEU A 83 8.696 6.028 8.101 1.00 1.00 C ATOM 1288 CG LEU A 83 9.435 6.815 7.019 1.00 1.00 C ATOM 1289 CD1 LEU A 83 10.783 6.143 6.774 1.00 1.00 C ATOM 1290 CD2 LEU A 83 8.615 6.862 5.714 1.00 1.00 C ATOM 0 H LEU A 83 8.972 8.107 9.292 1.00 1.00 H new ATOM 0 HA LEU A 83 6.835 7.097 7.752 1.00 1.00 H new ATOM 0 HB2 LEU A 83 9.365 5.830 8.939 1.00 1.00 H new ATOM 0 HB3 LEU A 83 8.382 5.061 7.708 1.00 1.00 H new ATOM 0 HG LEU A 83 9.582 7.843 7.351 1.00 1.00 H new ATOM 0 HD11 LEU A 83 11.327 6.690 6.004 1.00 1.00 H new ATOM 0 HD12 LEU A 83 11.362 6.143 7.697 1.00 1.00 H new ATOM 0 HD13 LEU A 83 10.623 5.116 6.446 1.00 1.00 H new ATOM 0 HD21 LEU A 83 9.163 7.428 4.960 1.00 1.00 H new ATOM 0 HD22 LEU A 83 8.446 5.847 5.354 1.00 1.00 H new ATOM 0 HD23 LEU A 83 7.656 7.344 5.904 1.00 1.00 H new ATOM 1302 N GLN A 84 7.258 5.775 10.735 1.00 1.00 N ATOM 1303 CA GLN A 84 6.645 4.934 11.762 1.00 1.00 C ATOM 1304 C GLN A 84 5.271 5.446 12.178 1.00 1.00 C ATOM 1305 O GLN A 84 4.345 4.658 12.368 1.00 1.00 O ATOM 1306 CB GLN A 84 7.553 4.886 12.993 1.00 1.00 C ATOM 1307 CG GLN A 84 8.883 4.218 12.623 1.00 1.00 C ATOM 1308 CD GLN A 84 8.648 2.759 12.245 1.00 1.00 C ATOM 1309 OE1 GLN A 84 8.158 1.977 13.061 1.00 1.00 O ATOM 1310 NE2 GLN A 84 8.955 2.350 11.046 1.00 1.00 N ATOM 0 H GLN A 84 8.129 6.221 11.021 1.00 1.00 H new ATOM 0 HA GLN A 84 6.519 3.938 11.338 1.00 1.00 H new ATOM 0 HB2 GLN A 84 7.732 5.895 13.365 1.00 1.00 H new ATOM 0 HB3 GLN A 84 7.066 4.332 13.795 1.00 1.00 H new ATOM 0 HG2 GLN A 84 9.346 4.748 11.790 1.00 1.00 H new ATOM 0 HG3 GLN A 84 9.575 4.277 13.463 1.00 1.00 H new ATOM 0 HE21 GLN A 84 9.361 3.001 10.373 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.790 1.379 10.780 1.00 1.00 H new ATOM 1319 N GLU A 85 5.142 6.758 12.335 1.00 1.00 N ATOM 1320 CA GLU A 85 3.872 7.339 12.752 1.00 1.00 C ATOM 1321 C GLU A 85 2.804 7.130 11.686 1.00 1.00 C ATOM 1322 O GLU A 85 1.639 6.887 12.002 1.00 1.00 O ATOM 1323 CB GLU A 85 4.050 8.836 13.020 1.00 1.00 C ATOM 1324 CG GLU A 85 2.753 9.409 13.592 1.00 1.00 C ATOM 1325 CD GLU A 85 2.943 10.884 13.927 1.00 1.00 C ATOM 1326 OE1 GLU A 85 4.085 11.306 14.007 1.00 1.00 O ATOM 1327 OE2 GLU A 85 1.950 11.568 14.097 1.00 1.00 O ATOM 0 H GLU A 85 5.891 7.433 12.182 1.00 1.00 H new ATOM 0 HA GLU A 85 3.549 6.841 13.666 1.00 1.00 H new ATOM 0 HB2 GLU A 85 4.870 8.996 13.719 1.00 1.00 H new ATOM 0 HB3 GLU A 85 4.313 9.353 12.097 1.00 1.00 H new ATOM 0 HG2 GLU A 85 1.944 9.292 12.871 1.00 1.00 H new ATOM 0 HG3 GLU A 85 2.465 8.858 14.487 1.00 1.00 H new ATOM 1334 N LEU A 86 3.197 7.238 10.425 1.00 1.00 N ATOM 1335 CA LEU A 86 2.251 7.063 9.332 1.00 1.00 C ATOM 1336 C LEU A 86 1.684 5.648 9.287 1.00 1.00 C ATOM 1337 O LEU A 86 0.489 5.471 9.057 1.00 1.00 O ATOM 1338 CB LEU A 86 2.922 7.384 7.991 1.00 1.00 C ATOM 1339 CG LEU A 86 3.198 8.891 7.881 1.00 1.00 C ATOM 1340 CD1 LEU A 86 4.045 9.150 6.630 1.00 1.00 C ATOM 1341 CD2 LEU A 86 1.872 9.680 7.792 1.00 1.00 C ATOM 0 H LEU A 86 4.153 7.444 10.135 1.00 1.00 H new ATOM 0 HA LEU A 86 1.426 7.753 9.509 1.00 1.00 H new ATOM 0 HB2 LEU A 86 3.856 6.829 7.902 1.00 1.00 H new ATOM 0 HB3 LEU A 86 2.281 7.064 7.170 1.00 1.00 H new ATOM 0 HG LEU A 86 3.735 9.225 8.769 1.00 1.00 H new ATOM 0 HD11 LEU A 86 4.247 10.217 6.542 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.987 8.608 6.710 1.00 1.00 H new ATOM 0 HD13 LEU A 86 3.504 8.809 5.747 1.00 1.00 H new ATOM 0 HD21 LEU A 86 2.087 10.746 7.715 1.00 1.00 H new ATOM 0 HD22 LEU A 86 1.315 9.357 6.912 1.00 1.00 H new ATOM 0 HD23 LEU A 86 1.277 9.494 8.686 1.00 1.00 H new ATOM 1353 N LEU A 87 2.528 4.635 9.491 1.00 1.00 N ATOM 1354 CA LEU A 87 2.038 3.259 9.444 1.00 1.00 C ATOM 1355 C LEU A 87 1.417 2.855 10.775 1.00 1.00 C ATOM 1356 O LEU A 87 0.742 1.836 10.865 1.00 1.00 O ATOM 1357 CB LEU A 87 3.147 2.274 9.038 1.00 1.00 C ATOM 1358 CG LEU A 87 4.381 2.410 9.958 1.00 1.00 C ATOM 1359 CD1 LEU A 87 4.188 1.619 11.267 1.00 1.00 C ATOM 1360 CD2 LEU A 87 5.623 1.884 9.221 1.00 1.00 C ATOM 0 H LEU A 87 3.524 4.736 9.685 1.00 1.00 H new ATOM 0 HA LEU A 87 1.264 3.216 8.678 1.00 1.00 H new ATOM 0 HB2 LEU A 87 2.766 1.254 9.085 1.00 1.00 H new ATOM 0 HB3 LEU A 87 3.439 2.458 8.004 1.00 1.00 H new ATOM 0 HG LEU A 87 4.510 3.463 10.210 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.072 1.733 11.895 1.00 1.00 H new ATOM 0 HD12 LEU A 87 3.315 2.000 11.797 1.00 1.00 H new ATOM 0 HD13 LEU A 87 4.040 0.564 11.036 1.00 1.00 H new ATOM 0 HD21 LEU A 87 6.496 1.978 9.867 1.00 1.00 H new ATOM 0 HD22 LEU A 87 5.475 0.836 8.961 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.780 2.465 8.312 1.00 1.00 H new ATOM 1372 N SER A 88 1.623 3.674 11.799 1.00 1.00 N ATOM 1373 CA SER A 88 1.049 3.396 13.111 1.00 1.00 C ATOM 1374 C SER A 88 -0.471 3.397 13.035 1.00 1.00 C ATOM 1375 O SER A 88 -1.134 2.580 13.671 1.00 1.00 O ATOM 1376 CB SER A 88 1.505 4.446 14.125 1.00 1.00 C ATOM 1377 OG SER A 88 2.919 4.383 14.262 1.00 1.00 O ATOM 0 H SER A 88 2.178 4.528 11.749 1.00 1.00 H new ATOM 0 HA SER A 88 1.393 2.413 13.432 1.00 1.00 H new ATOM 0 HB2 SER A 88 1.204 5.441 13.796 1.00 1.00 H new ATOM 0 HB3 SER A 88 1.026 4.270 15.088 1.00 1.00 H new ATOM 0 HG SER A 88 3.342 4.671 13.426 1.00 1.00 H new ATOM 1383 N ALA A 89 -1.023 4.345 12.276 1.00 1.00 N ATOM 1384 CA ALA A 89 -2.478 4.469 12.153 1.00 1.00 C ATOM 1385 C ALA A 89 -2.999 3.909 10.834 1.00 1.00 C ATOM 1386 O ALA A 89 -4.054 3.277 10.797 1.00 1.00 O ATOM 1387 CB ALA A 89 -2.869 5.944 12.252 1.00 1.00 C ATOM 0 H ALA A 89 -0.492 5.032 11.742 1.00 1.00 H new ATOM 0 HA ALA A 89 -2.924 3.890 12.962 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -3.951 6.041 12.161 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -2.549 6.341 13.215 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -2.386 6.503 11.450 1.00 1.00 H new ATOM 1393 N HIS A 90 -2.279 4.173 9.753 1.00 1.00 N ATOM 1394 CA HIS A 90 -2.702 3.720 8.434 1.00 1.00 C ATOM 1395 C HIS A 90 -2.690 2.197 8.328 1.00 1.00 C ATOM 1396 O HIS A 90 -3.594 1.610 7.748 1.00 1.00 O ATOM 1397 CB HIS A 90 -1.774 4.306 7.369 1.00 1.00 C ATOM 1398 CG HIS A 90 -1.959 5.797 7.306 1.00 1.00 C ATOM 1399 ND1 HIS A 90 -3.207 6.394 7.390 1.00 1.00 N ATOM 1400 CD2 HIS A 90 -1.064 6.821 7.141 1.00 1.00 C ATOM 1401 CE1 HIS A 90 -3.028 7.725 7.275 1.00 1.00 C ATOM 1402 NE2 HIS A 90 -1.738 8.038 7.122 1.00 1.00 N ATOM 0 H HIS A 90 -1.403 4.696 9.762 1.00 1.00 H new ATOM 0 HA HIS A 90 -3.725 4.063 8.277 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -0.737 4.067 7.604 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -1.991 3.861 6.398 1.00 1.00 H new ATOM 0 HD2 HIS A 90 0.005 6.701 7.041 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -3.829 8.449 7.303 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -1.334 8.969 7.014 1.00 1.00 H new ATOM 1411 N SER A 91 -1.657 1.566 8.878 1.00 1.00 N ATOM 1412 CA SER A 91 -1.527 0.115 8.816 1.00 1.00 C ATOM 1413 C SER A 91 -2.856 -0.581 9.025 1.00 1.00 C ATOM 1414 O SER A 91 -3.413 -0.614 10.122 1.00 1.00 O ATOM 1415 CB SER A 91 -0.538 -0.383 9.859 1.00 1.00 C ATOM 1416 OG SER A 91 0.777 -0.004 9.475 1.00 1.00 O ATOM 0 H SER A 91 -0.898 2.037 9.371 1.00 1.00 H new ATOM 0 HA SER A 91 -1.162 -0.125 7.817 1.00 1.00 H new ATOM 0 HB2 SER A 91 -0.779 0.036 10.836 1.00 1.00 H new ATOM 0 HB3 SER A 91 -0.604 -1.467 9.952 1.00 1.00 H new ATOM 0 HG SER A 91 1.132 0.644 10.119 1.00 1.00 H new ATOM 1422 N LEU A 92 -3.321 -1.161 7.946 1.00 1.00 N ATOM 1423 CA LEU A 92 -4.568 -1.917 7.941 1.00 1.00 C ATOM 1424 C LEU A 92 -4.265 -3.381 8.239 1.00 1.00 C ATOM 1425 O LEU A 92 -5.170 -4.213 8.302 1.00 1.00 O ATOM 1426 CB LEU A 92 -5.226 -1.837 6.562 1.00 1.00 C ATOM 1427 CG LEU A 92 -5.589 -0.390 6.204 1.00 1.00 C ATOM 1428 CD1 LEU A 92 -6.029 -0.333 4.726 1.00 1.00 C ATOM 1429 CD2 LEU A 92 -6.733 0.114 7.107 1.00 1.00 C ATOM 0 H LEU A 92 -2.852 -1.127 7.041 1.00 1.00 H new ATOM 0 HA LEU A 92 -5.237 -1.499 8.694 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -4.550 -2.242 5.809 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -6.124 -2.454 6.548 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.719 0.248 6.357 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -6.289 0.692 4.463 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -5.213 -0.675 4.090 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -6.897 -0.976 4.580 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -6.980 1.142 6.842 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -7.611 -0.517 6.969 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -6.418 0.074 8.150 1.00 1.00 H new ATOM 1441 N SER A 93 -2.972 -3.690 8.402 1.00 1.00 N ATOM 1442 CA SER A 93 -2.539 -5.064 8.669 1.00 1.00 C ATOM 1443 C SER A 93 -1.418 -5.097 9.708 1.00 1.00 C ATOM 1444 O SER A 93 -0.784 -4.080 9.988 1.00 1.00 O ATOM 1445 CB SER A 93 -2.028 -5.685 7.373 1.00 1.00 C ATOM 1446 OG SER A 93 -1.017 -4.846 6.832 1.00 1.00 O ATOM 0 H SER A 93 -2.213 -3.010 8.354 1.00 1.00 H new ATOM 0 HA SER A 93 -3.390 -5.624 9.057 1.00 1.00 H new ATOM 0 HB2 SER A 93 -1.630 -6.682 7.563 1.00 1.00 H new ATOM 0 HB3 SER A 93 -2.845 -5.799 6.661 1.00 1.00 H new ATOM 0 HG SER A 93 -0.143 -5.275 6.942 1.00 1.00 H new ATOM 1452 N SER A 94 -1.182 -6.283 10.274 1.00 1.00 N ATOM 1453 CA SER A 94 -0.136 -6.465 11.288 1.00 1.00 C ATOM 1454 C SER A 94 0.888 -7.512 10.848 1.00 1.00 C ATOM 1455 O SER A 94 1.389 -8.279 11.670 1.00 1.00 O ATOM 1456 CB SER A 94 -0.764 -6.913 12.609 1.00 1.00 C ATOM 1457 OG SER A 94 -1.624 -5.892 13.099 1.00 1.00 O ATOM 0 H SER A 94 -1.700 -7.132 10.049 1.00 1.00 H new ATOM 0 HA SER A 94 0.372 -5.509 11.417 1.00 1.00 H new ATOM 0 HB2 SER A 94 -1.325 -7.836 12.462 1.00 1.00 H new ATOM 0 HB3 SER A 94 0.016 -7.127 13.340 1.00 1.00 H new ATOM 0 HG SER A 94 -2.027 -6.181 13.944 1.00 1.00 H new ATOM 1463 N TRP A 95 1.197 -7.540 9.552 1.00 1.00 N ATOM 1464 CA TRP A 95 2.172 -8.499 9.016 1.00 1.00 C ATOM 1465 C TRP A 95 3.058 -7.815 7.972 1.00 1.00 C ATOM 1466 O TRP A 95 2.758 -6.709 7.528 1.00 1.00 O ATOM 1467 CB TRP A 95 1.449 -9.710 8.414 1.00 1.00 C ATOM 1468 CG TRP A 95 0.811 -9.355 7.113 1.00 1.00 C ATOM 1469 CD1 TRP A 95 1.468 -9.167 5.945 1.00 1.00 C ATOM 1470 CD2 TRP A 95 -0.605 -9.154 6.824 1.00 1.00 C ATOM 1471 NE1 TRP A 95 0.545 -8.850 4.965 1.00 1.00 N ATOM 1472 CE2 TRP A 95 -0.741 -8.831 5.457 1.00 1.00 C ATOM 1473 CE3 TRP A 95 -1.770 -9.217 7.613 1.00 1.00 C ATOM 1474 CZ2 TRP A 95 -1.988 -8.579 4.887 1.00 1.00 C ATOM 1475 CZ3 TRP A 95 -3.027 -8.959 7.041 1.00 1.00 C ATOM 1476 CH2 TRP A 95 -3.135 -8.640 5.681 1.00 1.00 C ATOM 0 H TRP A 95 0.791 -6.916 8.855 1.00 1.00 H new ATOM 0 HA TRP A 95 2.808 -8.853 9.827 1.00 1.00 H new ATOM 0 HB2 TRP A 95 2.157 -10.525 8.266 1.00 1.00 H new ATOM 0 HB3 TRP A 95 0.691 -10.069 9.110 1.00 1.00 H new ATOM 0 HD1 TRP A 95 2.535 -9.251 5.802 1.00 1.00 H new ATOM 0 HE1 TRP A 95 0.788 -8.654 3.994 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -1.697 -9.465 8.662 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -2.066 -8.338 3.837 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -3.915 -9.007 7.653 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -4.104 -8.442 5.247 1.00 1.00 H new ATOM 1487 N GLY A 96 4.163 -8.467 7.603 1.00 1.00 N ATOM 1488 CA GLY A 96 5.092 -7.893 6.627 1.00 1.00 C ATOM 1489 C GLY A 96 6.520 -8.348 6.895 1.00 1.00 C ATOM 1490 O GLY A 96 7.413 -7.531 7.105 1.00 1.00 O ATOM 0 H GLY A 96 4.434 -9.383 7.961 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.796 -8.189 5.621 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.040 -6.805 6.667 1.00 1.00 H new ATOM 1494 N ALA A 97 6.723 -9.660 6.875 1.00 1.00 N ATOM 1495 CA ALA A 97 8.047 -10.236 7.099 1.00 1.00 C ATOM 1496 C ALA A 97 8.448 -10.177 8.573 1.00 1.00 C ATOM 1497 O ALA A 97 9.393 -9.478 8.942 1.00 1.00 O ATOM 1498 CB ALA A 97 9.088 -9.503 6.241 1.00 1.00 C ATOM 0 H ALA A 97 5.988 -10.347 6.706 1.00 1.00 H new ATOM 0 HA ALA A 97 8.008 -11.286 6.808 1.00 1.00 H new ATOM 0 HB1 ALA A 97 10.073 -9.938 6.413 1.00 1.00 H new ATOM 0 HB2 ALA A 97 8.826 -9.603 5.188 1.00 1.00 H new ATOM 0 HB3 ALA A 97 9.105 -8.447 6.512 1.00 1.00 H new