USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 692 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 16 SER OG : rot 76:sc= -0.306 USER MOD Set 1.2: A 55 THR OG1 : rot 122:sc= 1.1 USER MOD Set 1.3: A 58 THR OG1 : rot 133:sc= 1.03 USER MOD Set 2.1: A 44 ASN : amide:sc= -5.75! C(o=-8.2!,f=-19!) USER MOD Set 2.2: A 65 SER OG : rot -76:sc= -2.42! USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.31) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0518) USER MOD Single : A 3 ASN : amide:sc= -0.547 K(o=-0.55,f=-1.9!) USER MOD Single : A 10 SER OG : rot 71:sc= 0.0229 USER MOD Single : A 15 GLN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -3.48! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0997) USER MOD Single : A 40 MET CE :methyl -102:sc= -4.06 (180deg=-7.53!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.977 USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.462) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -2.94! C(o=-4!,f=-2.9!) USER MOD Single : A 69 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.6!) USER MOD Single : A 75 LYS NZ :NH3+ -139:sc= -0.338 (180deg=-1.24!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.079 7.978 19.259 1.00 0.00 N ATOM 2 CA MET A 1 26.608 8.803 18.141 1.00 0.00 C ATOM 3 C MET A 1 25.492 9.230 17.194 1.00 0.00 C ATOM 4 O MET A 1 25.456 10.371 16.734 1.00 0.00 O ATOM 5 CB MET A 1 27.657 7.984 17.385 1.00 0.00 C ATOM 6 CG MET A 1 28.814 8.816 16.858 1.00 0.00 C ATOM 7 SD MET A 1 30.249 8.781 17.949 1.00 0.00 S ATOM 8 CE MET A 1 29.878 10.153 19.039 1.00 0.00 C ATOM 0 H1 MET A 1 26.837 7.802 19.949 1.00 0.00 H new ATOM 0 H2 MET A 1 25.298 8.483 19.724 1.00 0.00 H new ATOM 0 H3 MET A 1 25.732 7.071 18.887 1.00 0.00 H new ATOM 0 HA MET A 1 27.058 9.709 18.547 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.048 7.211 18.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.176 7.475 16.550 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.102 8.448 15.873 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.486 9.847 16.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.766 10.408 19.618 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.570 11.015 18.447 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.072 9.872 19.716 1.00 0.00 H new ATOM 20 N ASP A 2 24.580 8.306 16.907 1.00 0.00 N ATOM 21 CA ASP A 2 23.465 8.583 16.020 1.00 0.00 C ATOM 22 C ASP A 2 22.240 7.761 16.410 1.00 0.00 C ATOM 23 O ASP A 2 22.360 6.611 16.832 1.00 0.00 O ATOM 24 CB ASP A 2 23.855 8.292 14.573 1.00 0.00 C ATOM 25 CG ASP A 2 23.692 9.503 13.674 1.00 0.00 C ATOM 26 OD1 ASP A 2 22.541 9.819 13.307 1.00 0.00 O ATOM 27 OD2 ASP A 2 24.715 10.135 13.338 1.00 0.00 O ATOM 0 H ASP A 2 24.595 7.357 17.280 1.00 0.00 H new ATOM 0 HA ASP A 2 23.212 9.639 16.113 1.00 0.00 H new ATOM 0 HB2 ASP A 2 24.891 7.955 14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 2 23.242 7.475 14.192 1.00 0.00 H new ATOM 32 N ASN A 3 21.062 8.360 16.266 1.00 0.00 N ATOM 33 CA ASN A 3 19.815 7.683 16.603 1.00 0.00 C ATOM 34 C ASN A 3 19.636 6.411 15.779 1.00 0.00 C ATOM 35 O ASN A 3 18.886 5.513 16.161 1.00 0.00 O ATOM 36 CB ASN A 3 18.629 8.620 16.386 1.00 0.00 C ATOM 37 CG ASN A 3 17.874 8.906 17.670 1.00 0.00 C ATOM 38 OD1 ASN A 3 17.337 7.997 18.303 1.00 0.00 O ATOM 39 ND2 ASN A 3 17.829 10.174 18.061 1.00 0.00 N ATOM 0 H ASN A 3 20.945 9.312 15.919 1.00 0.00 H new ATOM 0 HA ASN A 3 19.860 7.401 17.655 1.00 0.00 H new ATOM 0 HB2 ASN A 3 18.984 9.558 15.960 1.00 0.00 H new ATOM 0 HB3 ASN A 3 17.948 8.177 15.659 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.335 10.427 18.917 1.00 0.00 H new ATOM 0 HD22 ASN A 3 18.288 10.896 17.505 1.00 0.00 H new ATOM 46 N ASP A 4 20.330 6.340 14.648 1.00 0.00 N ATOM 47 CA ASP A 4 20.247 5.177 13.772 1.00 0.00 C ATOM 48 C ASP A 4 20.733 3.915 14.481 1.00 0.00 C ATOM 49 O ASP A 4 20.409 2.800 14.073 1.00 0.00 O ATOM 50 CB ASP A 4 21.062 5.412 12.502 1.00 0.00 C ATOM 51 CG ASP A 4 20.203 5.397 11.252 1.00 0.00 C ATOM 52 OD1 ASP A 4 19.962 4.297 10.711 1.00 0.00 O ATOM 53 OD2 ASP A 4 19.774 6.485 10.814 1.00 0.00 O ATOM 0 H ASP A 4 20.956 7.074 14.317 1.00 0.00 H new ATOM 0 HA ASP A 4 19.200 5.033 13.503 1.00 0.00 H new ATOM 0 HB2 ASP A 4 21.575 6.371 12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 4 21.831 4.644 12.420 1.00 0.00 H new ATOM 58 N ALA A 5 21.512 4.097 15.542 1.00 0.00 N ATOM 59 CA ALA A 5 22.042 2.978 16.302 1.00 0.00 C ATOM 60 C ALA A 5 21.150 2.639 17.493 1.00 0.00 C ATOM 61 O ALA A 5 21.610 2.059 18.477 1.00 0.00 O ATOM 62 CB ALA A 5 23.457 3.283 16.770 1.00 0.00 C ATOM 0 H ALA A 5 21.789 5.013 15.894 1.00 0.00 H new ATOM 0 HA ALA A 5 22.064 2.108 15.646 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.843 2.437 17.338 1.00 0.00 H new ATOM 0 HB2 ALA A 5 24.096 3.461 15.905 1.00 0.00 H new ATOM 0 HB3 ALA A 5 23.448 4.171 17.403 1.00 0.00 H new ATOM 68 N GLU A 6 19.874 3.003 17.402 1.00 0.00 N ATOM 69 CA GLU A 6 18.926 2.737 18.472 1.00 0.00 C ATOM 70 C GLU A 6 18.108 1.489 18.194 1.00 0.00 C ATOM 71 O GLU A 6 17.032 1.287 18.757 1.00 0.00 O ATOM 72 CB GLU A 6 17.995 3.922 18.650 1.00 0.00 C ATOM 73 CG GLU A 6 18.583 5.049 19.482 1.00 0.00 C ATOM 74 CD GLU A 6 18.169 4.975 20.939 1.00 0.00 C ATOM 75 OE1 GLU A 6 18.636 4.055 21.643 1.00 0.00 O ATOM 76 OE2 GLU A 6 17.378 5.836 21.376 1.00 0.00 O ATOM 0 H GLU A 6 19.475 3.484 16.596 1.00 0.00 H new ATOM 0 HA GLU A 6 19.497 2.575 19.386 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.726 4.311 17.668 1.00 0.00 H new ATOM 0 HB3 GLU A 6 17.073 3.580 19.120 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.670 5.016 19.415 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.267 6.006 19.066 1.00 0.00 H new ATOM 83 N GLY A 7 18.635 0.666 17.321 1.00 0.00 N ATOM 84 CA GLY A 7 17.970 -0.570 16.951 1.00 0.00 C ATOM 85 C GLY A 7 16.805 -0.342 16.009 1.00 0.00 C ATOM 86 O GLY A 7 15.855 -1.124 15.985 1.00 0.00 O ATOM 0 H GLY A 7 19.525 0.826 16.849 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.690 -1.239 16.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.613 -1.070 17.851 1.00 0.00 H new ATOM 90 N VAL A 8 16.877 0.733 15.230 1.00 0.00 N ATOM 91 CA VAL A 8 15.830 1.067 14.285 1.00 0.00 C ATOM 92 C VAL A 8 15.666 -0.018 13.225 1.00 0.00 C ATOM 93 O VAL A 8 14.635 -0.093 12.556 1.00 0.00 O ATOM 94 CB VAL A 8 16.129 2.407 13.595 1.00 0.00 C ATOM 95 CG1 VAL A 8 15.797 3.571 14.515 1.00 0.00 C ATOM 96 CG2 VAL A 8 17.581 2.471 13.142 1.00 0.00 C ATOM 0 H VAL A 8 17.658 1.389 15.239 1.00 0.00 H new ATOM 0 HA VAL A 8 14.901 1.147 14.849 1.00 0.00 H new ATOM 0 HB VAL A 8 15.497 2.482 12.710 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.016 4.510 14.007 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.739 3.538 14.776 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.397 3.501 15.422 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.769 3.429 12.656 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.237 2.368 14.007 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.779 1.662 12.438 1.00 0.00 H new ATOM 106 N TRP A 9 16.686 -0.856 13.075 1.00 0.00 N ATOM 107 CA TRP A 9 16.651 -1.936 12.095 1.00 0.00 C ATOM 108 C TRP A 9 15.470 -2.868 12.351 1.00 0.00 C ATOM 109 O TRP A 9 15.513 -3.710 13.248 1.00 0.00 O ATOM 110 CB TRP A 9 17.959 -2.723 12.129 1.00 0.00 C ATOM 111 CG TRP A 9 18.719 -2.668 10.839 1.00 0.00 C ATOM 112 CD1 TRP A 9 19.419 -3.685 10.256 1.00 0.00 C ATOM 113 CD2 TRP A 9 18.857 -1.537 9.972 1.00 0.00 C ATOM 114 NE1 TRP A 9 19.984 -3.256 9.080 1.00 0.00 N ATOM 115 CE2 TRP A 9 19.653 -1.940 8.883 1.00 0.00 C ATOM 116 CE3 TRP A 9 18.384 -0.222 10.009 1.00 0.00 C ATOM 117 CZ2 TRP A 9 19.986 -1.076 7.843 1.00 0.00 C ATOM 118 CZ3 TRP A 9 18.715 0.635 8.976 1.00 0.00 C ATOM 119 CH2 TRP A 9 19.509 0.205 7.906 1.00 0.00 C ATOM 0 H TRP A 9 17.547 -0.808 13.619 1.00 0.00 H new ATOM 0 HA TRP A 9 16.529 -1.493 11.106 1.00 0.00 H new ATOM 0 HB2 TRP A 9 18.588 -2.334 12.930 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.742 -3.764 12.371 1.00 0.00 H new ATOM 0 HD1 TRP A 9 19.515 -4.682 10.661 1.00 0.00 H new ATOM 0 HE1 TRP A 9 20.556 -3.824 8.455 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.771 0.118 10.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 20.599 -1.405 7.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 18.355 1.653 8.995 1.00 0.00 H new ATOM 0 HH2 TRP A 9 19.750 0.899 7.114 1.00 0.00 H new ATOM 130 N SER A 10 14.417 -2.711 11.556 1.00 0.00 N ATOM 131 CA SER A 10 13.228 -3.534 11.692 1.00 0.00 C ATOM 132 C SER A 10 12.723 -3.995 10.326 1.00 0.00 C ATOM 133 O SER A 10 11.923 -3.311 9.688 1.00 0.00 O ATOM 134 CB SER A 10 12.128 -2.763 12.424 1.00 0.00 C ATOM 135 OG SER A 10 12.570 -2.331 13.699 1.00 0.00 O ATOM 0 H SER A 10 14.366 -2.018 10.809 1.00 0.00 H new ATOM 0 HA SER A 10 13.493 -4.415 12.276 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.826 -1.901 11.829 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.248 -3.397 12.536 1.00 0.00 H new ATOM 0 HG SER A 10 13.224 -1.609 13.591 1.00 0.00 H new ATOM 141 N PRO A 11 13.186 -5.167 9.857 1.00 0.00 N ATOM 142 CA PRO A 11 12.777 -5.715 8.559 1.00 0.00 C ATOM 143 C PRO A 11 11.315 -6.150 8.540 1.00 0.00 C ATOM 144 O PRO A 11 10.742 -6.383 7.475 1.00 0.00 O ATOM 145 CB PRO A 11 13.697 -6.921 8.373 1.00 0.00 C ATOM 146 CG PRO A 11 14.072 -7.321 9.754 1.00 0.00 C ATOM 147 CD PRO A 11 14.143 -6.049 10.549 1.00 0.00 C ATOM 0 HA PRO A 11 12.859 -4.973 7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.189 -7.731 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.576 -6.662 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.335 -8.004 10.176 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.030 -7.841 9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.863 -6.209 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.149 -5.630 10.550 1.00 0.00 H new ATOM 155 N ASP A 12 10.716 -6.259 9.721 1.00 0.00 N ATOM 156 CA ASP A 12 9.322 -6.667 9.835 1.00 0.00 C ATOM 157 C ASP A 12 8.392 -5.627 9.222 1.00 0.00 C ATOM 158 O ASP A 12 7.274 -5.942 8.815 1.00 0.00 O ATOM 159 CB ASP A 12 8.955 -6.901 11.299 1.00 0.00 C ATOM 160 CG ASP A 12 8.657 -8.357 11.597 1.00 0.00 C ATOM 161 OD1 ASP A 12 9.610 -9.165 11.623 1.00 0.00 O ATOM 162 OD2 ASP A 12 7.471 -8.690 11.803 1.00 0.00 O ATOM 0 H ASP A 12 11.175 -6.070 10.612 1.00 0.00 H new ATOM 0 HA ASP A 12 9.200 -7.600 9.284 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.774 -6.564 11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.085 -6.296 11.553 1.00 0.00 H new ATOM 167 N ILE A 13 8.863 -4.389 9.155 1.00 0.00 N ATOM 168 CA ILE A 13 8.078 -3.306 8.587 1.00 0.00 C ATOM 169 C ILE A 13 8.048 -3.412 7.074 1.00 0.00 C ATOM 170 O ILE A 13 6.985 -3.387 6.454 1.00 0.00 O ATOM 171 CB ILE A 13 8.622 -1.931 9.007 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.404 -1.705 10.505 1.00 0.00 C ATOM 173 CG2 ILE A 13 7.969 -0.814 8.201 1.00 0.00 C ATOM 174 CD1 ILE A 13 9.159 -2.678 11.383 1.00 0.00 C ATOM 0 H ILE A 13 9.786 -4.111 9.488 1.00 0.00 H new ATOM 0 HA ILE A 13 7.063 -3.398 8.974 1.00 0.00 H new ATOM 0 HB ILE A 13 9.692 -1.915 8.802 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.708 -0.689 10.758 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.339 -1.783 10.724 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.372 0.148 8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.175 -0.962 7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.892 -0.828 8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.956 -2.456 12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.838 -3.695 11.159 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.228 -2.585 11.193 1.00 0.00 H new ATOM 186 N GLU A 14 9.224 -3.551 6.491 1.00 0.00 N ATOM 187 CA GLU A 14 9.349 -3.685 5.050 1.00 0.00 C ATOM 188 C GLU A 14 8.709 -4.988 4.589 1.00 0.00 C ATOM 189 O GLU A 14 8.285 -5.114 3.440 1.00 0.00 O ATOM 190 CB GLU A 14 10.819 -3.641 4.630 1.00 0.00 C ATOM 191 CG GLU A 14 11.347 -2.233 4.410 1.00 0.00 C ATOM 192 CD GLU A 14 11.359 -1.837 2.946 1.00 0.00 C ATOM 193 OE1 GLU A 14 12.072 -2.494 2.159 1.00 0.00 O ATOM 194 OE2 GLU A 14 10.654 -0.871 2.587 1.00 0.00 O ATOM 0 H GLU A 14 10.110 -3.574 6.995 1.00 0.00 H new ATOM 0 HA GLU A 14 8.832 -2.850 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.422 -4.131 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.943 -4.214 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.732 -1.527 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.358 -2.161 4.810 1.00 0.00 H new ATOM 201 N GLN A 15 8.633 -5.951 5.502 1.00 0.00 N ATOM 202 CA GLN A 15 8.037 -7.238 5.205 1.00 0.00 C ATOM 203 C GLN A 15 6.527 -7.124 5.153 1.00 0.00 C ATOM 204 O GLN A 15 5.877 -7.664 4.258 1.00 0.00 O ATOM 205 CB GLN A 15 8.458 -8.262 6.238 1.00 0.00 C ATOM 206 CG GLN A 15 9.640 -9.091 5.787 1.00 0.00 C ATOM 207 CD GLN A 15 9.239 -10.243 4.887 1.00 0.00 C ATOM 208 OE1 GLN A 15 9.027 -11.364 5.351 1.00 0.00 O ATOM 209 NE2 GLN A 15 9.134 -9.973 3.591 1.00 0.00 N ATOM 0 H GLN A 15 8.980 -5.858 6.457 1.00 0.00 H new ATOM 0 HA GLN A 15 8.389 -7.567 4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.710 -7.752 7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.618 -8.922 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.346 -8.451 5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.159 -9.483 6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.319 -9.030 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.868 -10.709 2.937 1.00 0.00 H new ATOM 218 N SER A 16 5.980 -6.396 6.111 1.00 0.00 N ATOM 219 CA SER A 16 4.545 -6.179 6.175 1.00 0.00 C ATOM 220 C SER A 16 4.082 -5.412 4.944 1.00 0.00 C ATOM 221 O SER A 16 2.919 -5.489 4.547 1.00 0.00 O ATOM 222 CB SER A 16 4.174 -5.412 7.445 1.00 0.00 C ATOM 223 OG SER A 16 4.492 -6.161 8.605 1.00 0.00 O ATOM 0 H SER A 16 6.509 -5.944 6.857 1.00 0.00 H new ATOM 0 HA SER A 16 4.046 -7.148 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.704 -4.460 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.108 -5.183 7.437 1.00 0.00 H new ATOM 0 HG SER A 16 5.459 -6.125 8.763 1.00 0.00 H new ATOM 229 N PHE A 17 5.011 -4.676 4.339 1.00 0.00 N ATOM 230 CA PHE A 17 4.718 -3.897 3.148 1.00 0.00 C ATOM 231 C PHE A 17 4.369 -4.806 1.985 1.00 0.00 C ATOM 232 O PHE A 17 3.399 -4.569 1.265 1.00 0.00 O ATOM 233 CB PHE A 17 5.910 -3.013 2.787 1.00 0.00 C ATOM 234 CG PHE A 17 5.638 -1.541 2.913 1.00 0.00 C ATOM 235 CD1 PHE A 17 5.017 -1.030 4.041 1.00 0.00 C ATOM 236 CD2 PHE A 17 6.010 -0.668 1.903 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.770 0.325 4.159 1.00 0.00 C ATOM 238 CE2 PHE A 17 5.766 0.687 2.016 1.00 0.00 C ATOM 239 CZ PHE A 17 5.146 1.184 3.145 1.00 0.00 C ATOM 0 H PHE A 17 5.977 -4.605 4.659 1.00 0.00 H new ATOM 0 HA PHE A 17 3.858 -3.261 3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.751 -3.273 3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.213 -3.230 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.723 -1.698 4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.496 -1.051 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.284 0.711 5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.060 1.357 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.955 2.243 3.235 1.00 0.00 H new ATOM 249 N GLN A 18 5.160 -5.851 1.813 1.00 0.00 N ATOM 250 CA GLN A 18 4.925 -6.801 0.738 1.00 0.00 C ATOM 251 C GLN A 18 3.641 -7.573 0.987 1.00 0.00 C ATOM 252 O GLN A 18 2.968 -7.999 0.051 1.00 0.00 O ATOM 253 CB GLN A 18 6.095 -7.775 0.594 1.00 0.00 C ATOM 254 CG GLN A 18 5.787 -8.953 -0.320 1.00 0.00 C ATOM 255 CD GLN A 18 7.031 -9.717 -0.730 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.983 -9.141 -1.256 1.00 0.00 O ATOM 257 NE2 GLN A 18 7.028 -11.024 -0.492 1.00 0.00 N ATOM 0 H GLN A 18 5.967 -6.063 2.400 1.00 0.00 H new ATOM 0 HA GLN A 18 4.832 -6.237 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.960 -7.238 0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.370 -8.151 1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.100 -9.631 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.277 -8.591 -1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.217 -11.461 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.837 -11.591 -0.748 1.00 0.00 H new ATOM 266 N GLU A 19 3.310 -7.754 2.255 1.00 0.00 N ATOM 267 CA GLU A 19 2.108 -8.477 2.625 1.00 0.00 C ATOM 268 C GLU A 19 0.872 -7.671 2.276 1.00 0.00 C ATOM 269 O GLU A 19 -0.149 -8.224 1.872 1.00 0.00 O ATOM 270 CB GLU A 19 2.122 -8.824 4.112 1.00 0.00 C ATOM 271 CG GLU A 19 2.071 -10.318 4.387 1.00 0.00 C ATOM 272 CD GLU A 19 2.243 -10.646 5.858 1.00 0.00 C ATOM 273 OE1 GLU A 19 3.402 -10.723 6.318 1.00 0.00 O ATOM 274 OE2 GLU A 19 1.218 -10.824 6.550 1.00 0.00 O ATOM 0 H GLU A 19 3.857 -7.410 3.044 1.00 0.00 H new ATOM 0 HA GLU A 19 2.082 -9.408 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.023 -8.410 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.272 -8.344 4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.118 -10.716 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.853 -10.816 3.814 1.00 0.00 H new ATOM 281 N ALA A 20 0.977 -6.360 2.413 1.00 0.00 N ATOM 282 CA ALA A 20 -0.128 -5.480 2.089 1.00 0.00 C ATOM 283 C ALA A 20 -0.127 -5.159 0.604 1.00 0.00 C ATOM 284 O ALA A 20 -1.168 -4.864 0.017 1.00 0.00 O ATOM 285 CB ALA A 20 -0.064 -4.206 2.918 1.00 0.00 C ATOM 0 H ALA A 20 1.816 -5.884 2.746 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.060 -5.991 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.903 -3.560 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.115 -4.458 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.871 -3.685 2.713 1.00 0.00 H new ATOM 291 N LEU A 21 1.051 -5.235 0.001 1.00 0.00 N ATOM 292 CA LEU A 21 1.202 -4.973 -1.413 1.00 0.00 C ATOM 293 C LEU A 21 0.895 -6.226 -2.217 1.00 0.00 C ATOM 294 O LEU A 21 0.382 -6.153 -3.333 1.00 0.00 O ATOM 295 CB LEU A 21 2.611 -4.479 -1.710 1.00 0.00 C ATOM 296 CG LEU A 21 2.773 -2.958 -1.748 1.00 0.00 C ATOM 297 CD1 LEU A 21 4.191 -2.586 -2.151 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.762 -2.334 -2.698 1.00 0.00 C ATOM 0 H LEU A 21 1.919 -5.478 0.478 1.00 0.00 H new ATOM 0 HA LEU A 21 0.495 -4.196 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.287 -4.882 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.927 -4.886 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 21 2.586 -2.566 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.290 -1.501 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.895 -3.000 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.406 -2.990 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.894 -1.252 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.914 -2.730 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.753 -2.572 -2.363 1.00 0.00 H new ATOM 310 N SER A 22 1.200 -7.376 -1.630 1.00 0.00 N ATOM 311 CA SER A 22 0.943 -8.650 -2.276 1.00 0.00 C ATOM 312 C SER A 22 -0.540 -8.973 -2.213 1.00 0.00 C ATOM 313 O SER A 22 -1.097 -9.594 -3.118 1.00 0.00 O ATOM 314 CB SER A 22 1.755 -9.766 -1.616 1.00 0.00 C ATOM 315 OG SER A 22 1.429 -11.030 -2.168 1.00 0.00 O ATOM 0 H SER A 22 1.626 -7.449 -0.706 1.00 0.00 H new ATOM 0 HA SER A 22 1.248 -8.577 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.819 -9.572 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.563 -9.774 -0.543 1.00 0.00 H new ATOM 0 HG SER A 22 1.963 -11.726 -1.730 1.00 0.00 H new ATOM 321 N ILE A 23 -1.174 -8.534 -1.133 1.00 0.00 N ATOM 322 CA ILE A 23 -2.597 -8.760 -0.939 1.00 0.00 C ATOM 323 C ILE A 23 -3.417 -7.835 -1.827 1.00 0.00 C ATOM 324 O ILE A 23 -4.432 -8.232 -2.399 1.00 0.00 O ATOM 325 CB ILE A 23 -3.001 -8.561 0.542 1.00 0.00 C ATOM 326 CG1 ILE A 23 -4.026 -9.616 0.959 1.00 0.00 C ATOM 327 CG2 ILE A 23 -3.543 -7.158 0.793 1.00 0.00 C ATOM 328 CD1 ILE A 23 -3.404 -10.926 1.393 1.00 0.00 C ATOM 0 H ILE A 23 -0.722 -8.018 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.804 -9.793 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.105 -8.680 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.629 -9.221 1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.702 -9.803 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.816 -7.056 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.778 -6.422 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.423 -6.991 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.190 -11.626 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.824 -11.343 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.750 -10.753 2.247 1.00 0.00 H new ATOM 340 N TYR A 24 -2.960 -6.599 -1.925 1.00 0.00 N ATOM 341 CA TYR A 24 -3.628 -5.591 -2.729 1.00 0.00 C ATOM 342 C TYR A 24 -2.825 -5.263 -3.985 1.00 0.00 C ATOM 343 O TYR A 24 -2.165 -4.226 -4.058 1.00 0.00 O ATOM 344 CB TYR A 24 -3.864 -4.332 -1.911 1.00 0.00 C ATOM 345 CG TYR A 24 -4.674 -4.570 -0.658 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.941 -5.134 -0.726 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.170 -4.235 0.591 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.685 -5.357 0.418 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.905 -4.456 1.739 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.163 -5.018 1.648 1.00 0.00 C ATOM 351 OH TYR A 24 -6.902 -5.243 2.789 1.00 0.00 O ATOM 0 H TYR A 24 -2.120 -6.267 -1.452 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.591 -5.996 -3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.901 -3.902 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.376 -3.596 -2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.352 -5.403 -1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.187 -3.794 0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.670 -5.794 0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.498 -4.191 2.703 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.392 -4.950 3.572 1.00 0.00 H new ATOM 361 N PRO A 25 -2.875 -6.150 -4.994 1.00 0.00 N ATOM 362 CA PRO A 25 -2.159 -5.968 -6.258 1.00 0.00 C ATOM 363 C PRO A 25 -2.352 -4.567 -6.841 1.00 0.00 C ATOM 364 O PRO A 25 -3.096 -3.756 -6.290 1.00 0.00 O ATOM 365 CB PRO A 25 -2.775 -7.028 -7.184 1.00 0.00 C ATOM 366 CG PRO A 25 -3.925 -7.613 -6.439 1.00 0.00 C ATOM 367 CD PRO A 25 -3.632 -7.403 -4.988 1.00 0.00 C ATOM 0 HA PRO A 25 -1.082 -6.076 -6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.105 -6.581 -8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.044 -7.796 -7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.859 -7.128 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.036 -8.674 -6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.545 -7.323 -4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.052 -8.225 -4.568 1.00 0.00 H new ATOM 375 N PRO A 26 -1.680 -4.261 -7.968 1.00 0.00 N ATOM 376 CA PRO A 26 -1.778 -2.953 -8.622 1.00 0.00 C ATOM 377 C PRO A 26 -3.216 -2.473 -8.779 1.00 0.00 C ATOM 378 O PRO A 26 -3.470 -1.275 -8.901 1.00 0.00 O ATOM 379 CB PRO A 26 -1.129 -3.172 -9.998 1.00 0.00 C ATOM 380 CG PRO A 26 -0.874 -4.640 -10.102 1.00 0.00 C ATOM 381 CD PRO A 26 -0.771 -5.153 -8.696 1.00 0.00 C ATOM 0 HA PRO A 26 -1.290 -2.180 -8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.786 -2.832 -10.798 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.201 -2.607 -10.086 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.682 -5.137 -10.639 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.044 -4.836 -10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.078 -6.196 -8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.249 -5.093 -8.315 1.00 0.00 H new ATOM 389 N CYS A 27 -4.153 -3.410 -8.772 1.00 0.00 N ATOM 390 CA CYS A 27 -5.566 -3.078 -8.910 1.00 0.00 C ATOM 391 C CYS A 27 -6.014 -2.149 -7.785 1.00 0.00 C ATOM 392 O CYS A 27 -5.532 -2.248 -6.657 1.00 0.00 O ATOM 393 CB CYS A 27 -6.412 -4.348 -8.913 1.00 0.00 C ATOM 394 SG CYS A 27 -7.339 -4.614 -10.442 1.00 0.00 S ATOM 0 H CYS A 27 -3.962 -4.407 -8.672 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.705 -2.561 -9.860 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.761 -5.205 -8.741 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.112 -4.307 -8.079 1.00 0.00 H new ATOM 0 HG CYS A 27 -8.023 -5.716 -10.349 1.00 0.00 H new ATOM 400 N GLY A 28 -6.935 -1.243 -8.101 1.00 0.00 N ATOM 401 CA GLY A 28 -7.424 -0.308 -7.104 1.00 0.00 C ATOM 402 C GLY A 28 -7.645 1.080 -7.673 1.00 0.00 C ATOM 403 O GLY A 28 -7.049 2.051 -7.208 1.00 0.00 O ATOM 0 H GLY A 28 -7.350 -1.140 -9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.360 -0.681 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.711 -0.251 -6.282 1.00 0.00 H new ATOM 407 N ARG A 29 -8.503 1.172 -8.684 1.00 0.00 N ATOM 408 CA ARG A 29 -8.800 2.450 -9.322 1.00 0.00 C ATOM 409 C ARG A 29 -9.344 3.453 -8.307 1.00 0.00 C ATOM 410 O ARG A 29 -9.250 3.239 -7.098 1.00 0.00 O ATOM 411 CB ARG A 29 -9.808 2.253 -10.457 1.00 0.00 C ATOM 412 CG ARG A 29 -9.449 3.007 -11.727 1.00 0.00 C ATOM 413 CD ARG A 29 -10.646 3.140 -12.653 1.00 0.00 C ATOM 414 NE ARG A 29 -10.868 1.928 -13.438 1.00 0.00 N ATOM 415 CZ ARG A 29 -10.170 1.611 -14.526 1.00 0.00 C ATOM 416 NH1 ARG A 29 -9.204 2.412 -14.960 1.00 0.00 N ATOM 417 NH2 ARG A 29 -10.436 0.489 -15.181 1.00 0.00 N ATOM 0 H ARG A 29 -9.005 0.377 -9.079 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.873 2.848 -9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.883 1.190 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.792 2.577 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.075 3.998 -11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.643 2.487 -12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.537 3.359 -12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.492 3.984 -13.325 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.601 1.287 -13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.994 3.275 -14.459 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.672 2.164 -15.794 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.176 -0.131 -14.851 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.901 0.246 -16.015 1.00 0.00 H new ATOM 431 N ARG A 30 -9.906 4.551 -8.809 1.00 0.00 N ATOM 432 CA ARG A 30 -10.463 5.598 -7.952 1.00 0.00 C ATOM 433 C ARG A 30 -11.287 5.006 -6.811 1.00 0.00 C ATOM 434 O ARG A 30 -11.863 3.925 -6.942 1.00 0.00 O ATOM 435 CB ARG A 30 -11.329 6.551 -8.777 1.00 0.00 C ATOM 436 CG ARG A 30 -10.573 7.242 -9.900 1.00 0.00 C ATOM 437 CD ARG A 30 -11.479 7.531 -11.086 1.00 0.00 C ATOM 438 NE ARG A 30 -12.092 6.315 -11.615 1.00 0.00 N ATOM 439 CZ ARG A 30 -13.169 6.309 -12.398 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.754 7.449 -12.743 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.663 5.158 -12.836 1.00 0.00 N ATOM 0 H ARG A 30 -9.988 4.740 -9.808 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.629 6.150 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.164 5.994 -9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.753 7.307 -8.116 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.145 8.174 -9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.742 6.614 -10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.260 8.229 -10.784 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.903 8.018 -11.872 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.671 5.419 -11.370 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.379 8.336 -12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.579 7.438 -13.343 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.218 4.279 -12.573 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.488 5.152 -13.436 1.00 0.00 H new ATOM 455 N LYS A 31 -11.337 5.722 -5.692 1.00 0.00 N ATOM 456 CA LYS A 31 -12.087 5.271 -4.525 1.00 0.00 C ATOM 457 C LYS A 31 -13.552 5.033 -4.873 1.00 0.00 C ATOM 458 O LYS A 31 -14.220 5.907 -5.426 1.00 0.00 O ATOM 459 CB LYS A 31 -11.980 6.299 -3.397 1.00 0.00 C ATOM 460 CG LYS A 31 -10.580 6.423 -2.817 1.00 0.00 C ATOM 461 CD LYS A 31 -10.519 7.484 -1.730 1.00 0.00 C ATOM 462 CE LYS A 31 -9.154 8.149 -1.678 1.00 0.00 C ATOM 463 NZ LYS A 31 -9.206 9.471 -0.995 1.00 0.00 N ATOM 0 H LYS A 31 -10.866 6.618 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.656 4.327 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.296 7.272 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.671 6.025 -2.600 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.269 5.462 -2.407 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.877 6.674 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.285 8.237 -1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.741 7.030 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.453 7.498 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.775 8.279 -2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.255 9.892 -0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.856 10.101 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.544 9.345 -0.019 1.00 0.00 H new ATOM 477 N ILE A 32 -14.045 3.843 -4.546 1.00 0.00 N ATOM 478 CA ILE A 32 -15.422 3.483 -4.820 1.00 0.00 C ATOM 479 C ILE A 32 -16.384 4.265 -3.931 1.00 0.00 C ATOM 480 O ILE A 32 -15.984 4.831 -2.914 1.00 0.00 O ATOM 481 CB ILE A 32 -15.653 1.975 -4.610 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.935 1.480 -3.351 1.00 0.00 C ATOM 483 CG2 ILE A 32 -15.192 1.192 -5.830 1.00 0.00 C ATOM 484 CD1 ILE A 32 -15.450 0.151 -2.845 1.00 0.00 C ATOM 0 H ILE A 32 -13.503 3.110 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 32 -15.617 3.734 -5.863 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.722 1.811 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.869 1.391 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.043 2.226 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.362 0.128 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -15.754 1.518 -6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.129 1.368 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -14.896 -0.138 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -16.509 0.240 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -15.317 -0.608 -3.616 1.00 0.00 H new ATOM 496 N ILE A 33 -17.653 4.298 -4.326 1.00 0.00 N ATOM 497 CA ILE A 33 -18.670 5.009 -3.582 1.00 0.00 C ATOM 498 C ILE A 33 -19.059 4.258 -2.313 1.00 0.00 C ATOM 499 O ILE A 33 -19.162 3.032 -2.314 1.00 0.00 O ATOM 500 CB ILE A 33 -19.924 5.217 -4.445 1.00 0.00 C ATOM 501 CG1 ILE A 33 -20.345 3.903 -5.110 1.00 0.00 C ATOM 502 CG2 ILE A 33 -19.678 6.294 -5.490 1.00 0.00 C ATOM 503 CD1 ILE A 33 -21.823 3.607 -4.979 1.00 0.00 C ATOM 0 H ILE A 33 -17.997 3.834 -5.166 1.00 0.00 H new ATOM 0 HA ILE A 33 -18.250 5.976 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 33 -20.737 5.547 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -20.082 3.939 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -19.778 3.084 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -20.576 6.428 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -19.430 7.232 -4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -18.851 5.994 -6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -22.050 2.662 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -22.088 3.538 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -22.397 4.407 -5.446 1.00 0.00 H new ATOM 515 N LEU A 34 -19.275 5.003 -1.234 1.00 0.00 N ATOM 516 CA LEU A 34 -19.654 4.415 0.038 1.00 0.00 C ATOM 517 C LEU A 34 -21.129 4.672 0.339 1.00 0.00 C ATOM 518 O LEU A 34 -21.535 4.726 1.499 1.00 0.00 O ATOM 519 CB LEU A 34 -18.783 4.973 1.170 1.00 0.00 C ATOM 520 CG LEU A 34 -18.057 6.285 0.861 1.00 0.00 C ATOM 521 CD1 LEU A 34 -19.051 7.429 0.738 1.00 0.00 C ATOM 522 CD2 LEU A 34 -17.025 6.587 1.938 1.00 0.00 C ATOM 0 H LEU A 34 -19.193 6.020 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.497 3.339 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.412 5.125 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.040 4.221 1.437 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.540 6.177 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.517 8.353 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.753 7.216 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.597 7.539 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -16.518 7.523 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.522 6.676 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.295 5.779 1.979 1.00 0.00 H new ATOM 534 N SER A 35 -21.926 4.834 -0.713 1.00 0.00 N ATOM 535 CA SER A 35 -23.348 5.089 -0.561 1.00 0.00 C ATOM 536 C SER A 35 -24.158 3.798 -0.631 1.00 0.00 C ATOM 537 O SER A 35 -25.276 3.727 -0.121 1.00 0.00 O ATOM 538 CB SER A 35 -23.829 6.070 -1.628 1.00 0.00 C ATOM 539 OG SER A 35 -24.310 7.266 -1.042 1.00 0.00 O ATOM 0 H SER A 35 -21.607 4.792 -1.681 1.00 0.00 H new ATOM 0 HA SER A 35 -23.502 5.529 0.424 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.011 6.299 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.619 5.609 -2.221 1.00 0.00 H new ATOM 0 HG SER A 35 -24.610 7.878 -1.746 1.00 0.00 H new ATOM 545 N ASP A 36 -23.590 2.781 -1.268 1.00 0.00 N ATOM 546 CA ASP A 36 -24.260 1.497 -1.407 1.00 0.00 C ATOM 547 C ASP A 36 -24.186 0.698 -0.111 1.00 0.00 C ATOM 548 O ASP A 36 -25.196 0.483 0.558 1.00 0.00 O ATOM 549 CB ASP A 36 -23.640 0.696 -2.553 1.00 0.00 C ATOM 550 CG ASP A 36 -24.666 -0.132 -3.302 1.00 0.00 C ATOM 551 OD1 ASP A 36 -25.459 0.456 -4.067 1.00 0.00 O ATOM 552 OD2 ASP A 36 -24.677 -1.368 -3.123 1.00 0.00 O ATOM 0 H ASP A 36 -22.665 2.822 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 36 -25.309 1.687 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -23.152 1.380 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -22.866 0.039 -2.156 1.00 0.00 H new ATOM 557 N GLU A 37 -22.981 0.257 0.235 1.00 0.00 N ATOM 558 CA GLU A 37 -22.771 -0.521 1.447 1.00 0.00 C ATOM 559 C GLU A 37 -22.720 0.376 2.680 1.00 0.00 C ATOM 560 O GLU A 37 -22.919 -0.086 3.804 1.00 0.00 O ATOM 561 CB GLU A 37 -21.484 -1.337 1.336 1.00 0.00 C ATOM 562 CG GLU A 37 -21.710 -2.836 1.382 1.00 0.00 C ATOM 563 CD GLU A 37 -21.254 -3.537 0.117 1.00 0.00 C ATOM 564 OE1 GLU A 37 -20.032 -3.749 -0.037 1.00 0.00 O ATOM 565 OE2 GLU A 37 -22.118 -3.872 -0.720 1.00 0.00 O ATOM 0 H GLU A 37 -22.135 0.426 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 37 -23.616 -1.201 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.981 -1.082 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.813 -1.054 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.177 -3.253 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -22.770 -3.035 1.540 1.00 0.00 H new ATOM 572 N GLY A 38 -22.451 1.660 2.465 1.00 0.00 N ATOM 573 CA GLY A 38 -22.379 2.597 3.566 1.00 0.00 C ATOM 574 C GLY A 38 -21.082 2.490 4.349 1.00 0.00 C ATOM 575 O GLY A 38 -20.882 3.211 5.326 1.00 0.00 O ATOM 0 H GLY A 38 -22.282 2.067 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.482 3.611 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.219 2.425 4.239 1.00 0.00 H new ATOM 579 N LYS A 39 -20.191 1.601 3.914 1.00 0.00 N ATOM 580 CA LYS A 39 -18.913 1.421 4.567 1.00 0.00 C ATOM 581 C LYS A 39 -17.844 1.069 3.543 1.00 0.00 C ATOM 582 O LYS A 39 -17.609 -0.102 3.247 1.00 0.00 O ATOM 583 CB LYS A 39 -19.005 0.328 5.633 1.00 0.00 C ATOM 584 CG LYS A 39 -19.338 0.855 7.019 1.00 0.00 C ATOM 585 CD LYS A 39 -18.088 1.022 7.867 1.00 0.00 C ATOM 586 CE LYS A 39 -17.783 -0.236 8.664 1.00 0.00 C ATOM 587 NZ LYS A 39 -16.736 -1.068 8.009 1.00 0.00 N ATOM 0 H LYS A 39 -20.340 0.995 3.107 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.638 2.357 5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.765 -0.394 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.056 -0.207 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -19.850 1.813 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -20.026 0.170 7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.241 1.261 7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.219 1.863 8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.453 0.040 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.694 -0.823 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.423 -1.812 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.127 -1.505 7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.925 -0.468 7.754 1.00 0.00 H new ATOM 601 N MET A 40 -17.196 2.094 3.020 1.00 0.00 N ATOM 602 CA MET A 40 -16.140 1.920 2.039 1.00 0.00 C ATOM 603 C MET A 40 -15.104 3.030 2.169 1.00 0.00 C ATOM 604 O MET A 40 -15.184 4.053 1.490 1.00 0.00 O ATOM 605 CB MET A 40 -16.718 1.903 0.622 1.00 0.00 C ATOM 606 CG MET A 40 -17.904 0.968 0.455 1.00 0.00 C ATOM 607 SD MET A 40 -18.173 0.486 -1.262 1.00 0.00 S ATOM 608 CE MET A 40 -19.957 0.598 -1.374 1.00 0.00 C ATOM 0 H MET A 40 -17.386 3.067 3.262 1.00 0.00 H new ATOM 0 HA MET A 40 -15.654 0.963 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.023 2.914 0.352 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.934 1.609 -0.077 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.745 0.074 1.058 1.00 0.00 H new ATOM 0 HG3 MET A 40 -18.802 1.454 0.837 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.388 -0.401 -1.319 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.336 1.203 -0.550 1.00 0.00 H new ATOM 0 HE3 MET A 40 -20.234 1.061 -2.321 1.00 0.00 H new ATOM 618 N TYR A 41 -14.136 2.818 3.050 1.00 0.00 N ATOM 619 CA TYR A 41 -13.081 3.796 3.280 1.00 0.00 C ATOM 620 C TYR A 41 -12.143 3.885 2.079 1.00 0.00 C ATOM 621 O TYR A 41 -12.264 3.117 1.125 1.00 0.00 O ATOM 622 CB TYR A 41 -12.292 3.436 4.537 1.00 0.00 C ATOM 623 CG TYR A 41 -12.378 4.482 5.626 1.00 0.00 C ATOM 624 CD1 TYR A 41 -13.449 4.503 6.511 1.00 0.00 C ATOM 625 CD2 TYR A 41 -11.389 5.447 5.769 1.00 0.00 C ATOM 626 CE1 TYR A 41 -13.532 5.457 7.507 1.00 0.00 C ATOM 627 CE2 TYR A 41 -11.465 6.404 6.763 1.00 0.00 C ATOM 628 CZ TYR A 41 -12.537 6.405 7.629 1.00 0.00 C ATOM 629 OH TYR A 41 -12.616 7.356 8.620 1.00 0.00 O ATOM 0 H TYR A 41 -14.059 1.975 3.619 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.548 4.771 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.659 2.487 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.246 3.287 4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.229 3.762 6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.547 5.449 5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.371 5.461 8.187 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.688 7.148 6.861 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.836 7.947 8.569 1.00 0.00 H new ATOM 639 N GLY A 42 -11.208 4.828 2.135 1.00 0.00 N ATOM 640 CA GLY A 42 -10.262 5.002 1.049 1.00 0.00 C ATOM 641 C GLY A 42 -9.429 3.760 0.801 1.00 0.00 C ATOM 642 O GLY A 42 -9.154 2.995 1.726 1.00 0.00 O ATOM 0 H GLY A 42 -11.089 5.475 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.802 5.261 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.602 5.839 1.277 1.00 0.00 H new ATOM 646 N ARG A 43 -9.027 3.559 -0.449 1.00 0.00 N ATOM 647 CA ARG A 43 -8.222 2.401 -0.815 1.00 0.00 C ATOM 648 C ARG A 43 -6.836 2.472 -0.185 1.00 0.00 C ATOM 649 O ARG A 43 -6.202 1.447 0.065 1.00 0.00 O ATOM 650 CB ARG A 43 -8.106 2.295 -2.334 1.00 0.00 C ATOM 651 CG ARG A 43 -8.721 1.027 -2.904 1.00 0.00 C ATOM 652 CD ARG A 43 -10.182 1.233 -3.269 1.00 0.00 C ATOM 653 NE ARG A 43 -10.978 0.028 -3.046 1.00 0.00 N ATOM 654 CZ ARG A 43 -10.847 -1.089 -3.759 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.955 -1.158 -4.739 1.00 0.00 N ATOM 656 NH2 ARG A 43 -11.610 -2.139 -3.490 1.00 0.00 N ATOM 0 H ARG A 43 -9.246 4.183 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.721 1.510 -0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.590 3.160 -2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.053 2.336 -2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.164 0.717 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.637 0.221 -2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.591 2.052 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.256 1.528 -4.316 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.674 0.043 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.365 -0.353 -4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.859 -2.016 -5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.297 -2.091 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.510 -2.995 -4.036 1.00 0.00 H new ATOM 670 N ASN A 44 -6.372 3.688 0.067 1.00 0.00 N ATOM 671 CA ASN A 44 -5.061 3.898 0.666 1.00 0.00 C ATOM 672 C ASN A 44 -5.063 3.511 2.138 1.00 0.00 C ATOM 673 O ASN A 44 -4.039 3.108 2.688 1.00 0.00 O ATOM 674 CB ASN A 44 -4.630 5.354 0.503 1.00 0.00 C ATOM 675 CG ASN A 44 -3.410 5.504 -0.385 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.007 4.565 -1.071 1.00 0.00 O ATOM 677 ND2 ASN A 44 -2.816 6.692 -0.377 1.00 0.00 N ATOM 0 H ASN A 44 -6.885 4.546 -0.135 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.347 3.258 0.148 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.455 5.928 0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.415 5.778 1.484 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.991 6.854 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.184 7.442 0.207 1.00 0.00 H new ATOM 684 N GLU A 45 -6.221 3.628 2.767 1.00 0.00 N ATOM 685 CA GLU A 45 -6.360 3.281 4.171 1.00 0.00 C ATOM 686 C GLU A 45 -6.423 1.767 4.344 1.00 0.00 C ATOM 687 O GLU A 45 -6.166 1.244 5.428 1.00 0.00 O ATOM 688 CB GLU A 45 -7.612 3.931 4.762 1.00 0.00 C ATOM 689 CG GLU A 45 -7.478 4.277 6.237 1.00 0.00 C ATOM 690 CD GLU A 45 -7.859 5.714 6.538 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.585 6.319 5.720 1.00 0.00 O ATOM 692 OE2 GLU A 45 -7.433 6.234 7.590 1.00 0.00 O ATOM 0 H GLU A 45 -7.079 3.961 2.327 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.487 3.657 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.838 4.839 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.458 3.257 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.109 3.608 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.450 4.104 6.555 1.00 0.00 H new ATOM 699 N LEU A 46 -6.767 1.070 3.265 1.00 0.00 N ATOM 700 CA LEU A 46 -6.865 -0.379 3.292 1.00 0.00 C ATOM 701 C LEU A 46 -5.490 -1.023 3.223 1.00 0.00 C ATOM 702 O LEU A 46 -5.233 -2.036 3.873 1.00 0.00 O ATOM 703 CB LEU A 46 -7.737 -0.877 2.141 1.00 0.00 C ATOM 704 CG LEU A 46 -8.866 -1.826 2.544 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.584 -2.350 1.310 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.320 -2.978 3.375 1.00 0.00 C ATOM 0 H LEU A 46 -6.982 1.490 2.361 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.328 -0.665 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.172 -0.014 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.100 -1.383 1.416 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.584 -1.274 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.385 -3.024 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.006 -1.514 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.877 -2.888 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.136 -3.644 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.584 -3.531 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.848 -2.585 4.276 1.00 0.00 H new ATOM 718 N ILE A 47 -4.608 -0.428 2.436 1.00 0.00 N ATOM 719 CA ILE A 47 -3.260 -0.945 2.290 1.00 0.00 C ATOM 720 C ILE A 47 -2.414 -0.577 3.494 1.00 0.00 C ATOM 721 O ILE A 47 -1.537 -1.335 3.907 1.00 0.00 O ATOM 722 CB ILE A 47 -2.567 -0.441 1.002 1.00 0.00 C ATOM 723 CG1 ILE A 47 -3.167 0.884 0.523 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.656 -1.491 -0.094 1.00 0.00 C ATOM 725 CD1 ILE A 47 -2.270 1.644 -0.430 1.00 0.00 C ATOM 0 H ILE A 47 -4.802 0.412 1.890 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.350 -2.029 2.218 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.517 -0.264 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.120 0.686 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.379 1.512 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.164 -1.121 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.165 -2.406 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.703 -1.700 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.759 2.572 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.326 1.874 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.079 1.035 -1.313 1.00 0.00 H new ATOM 737 N ALA A 48 -2.693 0.584 4.062 1.00 0.00 N ATOM 738 CA ALA A 48 -1.970 1.049 5.229 1.00 0.00 C ATOM 739 C ALA A 48 -2.499 0.382 6.489 1.00 0.00 C ATOM 740 O ALA A 48 -1.780 0.239 7.478 1.00 0.00 O ATOM 741 CB ALA A 48 -2.053 2.563 5.342 1.00 0.00 C ATOM 0 H ALA A 48 -3.417 1.222 3.731 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.921 0.774 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.504 2.893 6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.618 3.019 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.097 2.865 5.430 1.00 0.00 H new ATOM 747 N ARG A 49 -3.754 -0.046 6.440 1.00 0.00 N ATOM 748 CA ARG A 49 -4.362 -0.721 7.570 1.00 0.00 C ATOM 749 C ARG A 49 -3.842 -2.147 7.659 1.00 0.00 C ATOM 750 O ARG A 49 -3.783 -2.735 8.739 1.00 0.00 O ATOM 751 CB ARG A 49 -5.888 -0.715 7.447 1.00 0.00 C ATOM 752 CG ARG A 49 -6.594 -1.453 8.573 1.00 0.00 C ATOM 753 CD ARG A 49 -8.103 -1.431 8.393 1.00 0.00 C ATOM 754 NE ARG A 49 -8.807 -1.778 9.626 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.009 -0.926 10.629 1.00 0.00 C ATOM 756 NH1 ARG A 49 -8.562 0.321 10.550 1.00 0.00 N ATOM 757 NH2 ARG A 49 -9.659 -1.323 11.714 1.00 0.00 N ATOM 0 H ARG A 49 -4.366 0.064 5.631 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.094 -0.188 8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.238 0.317 7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.169 -1.167 6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.246 -2.485 8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.334 -0.997 9.528 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.414 -0.439 8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.384 -2.130 7.606 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.164 -2.728 9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.061 0.631 9.718 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.720 0.969 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.004 -2.281 11.780 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.814 -0.671 12.483 1.00 0.00 H new ATOM 771 N TYR A 50 -3.448 -2.689 6.512 1.00 0.00 N ATOM 772 CA TYR A 50 -2.912 -4.036 6.449 1.00 0.00 C ATOM 773 C TYR A 50 -1.545 -4.092 7.095 1.00 0.00 C ATOM 774 O TYR A 50 -1.288 -4.911 7.978 1.00 0.00 O ATOM 775 CB TYR A 50 -2.816 -4.497 5.006 1.00 0.00 C ATOM 776 CG TYR A 50 -2.814 -5.999 4.843 1.00 0.00 C ATOM 777 CD1 TYR A 50 -3.998 -6.725 4.868 1.00 0.00 C ATOM 778 CD2 TYR A 50 -1.623 -6.690 4.664 1.00 0.00 C ATOM 779 CE1 TYR A 50 -3.994 -8.099 4.720 1.00 0.00 C ATOM 780 CE2 TYR A 50 -1.610 -8.062 4.515 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.798 -8.762 4.543 1.00 0.00 C ATOM 782 OH TYR A 50 -2.789 -10.130 4.394 1.00 0.00 O ATOM 0 H TYR A 50 -3.492 -2.211 5.612 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.586 -4.699 6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.653 -4.081 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.905 -4.092 4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.936 -6.208 5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.691 -6.145 4.641 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.922 -8.650 4.743 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.675 -8.584 4.377 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.867 -10.440 4.278 1.00 0.00 H new ATOM 792 N ILE A 51 -0.674 -3.207 6.650 1.00 0.00 N ATOM 793 CA ILE A 51 0.672 -3.134 7.180 1.00 0.00 C ATOM 794 C ILE A 51 0.647 -2.741 8.647 1.00 0.00 C ATOM 795 O ILE A 51 1.468 -3.196 9.443 1.00 0.00 O ATOM 796 CB ILE A 51 1.541 -2.131 6.400 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.709 -0.954 5.885 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.247 -2.831 5.248 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.431 0.374 5.958 1.00 0.00 C ATOM 0 H ILE A 51 -0.877 -2.525 5.919 1.00 0.00 H new ATOM 0 HA ILE A 51 1.112 -4.126 7.073 1.00 0.00 H new ATOM 0 HB ILE A 51 2.291 -1.732 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.423 -1.147 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.212 -0.890 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.858 -2.111 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.883 -3.625 5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.506 -3.260 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.782 1.162 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.693 0.589 6.994 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.338 0.328 5.356 1.00 0.00 H new ATOM 811 N LYS A 52 -0.312 -1.898 8.994 1.00 0.00 N ATOM 812 CA LYS A 52 -0.469 -1.437 10.364 1.00 0.00 C ATOM 813 C LYS A 52 -0.987 -2.557 11.258 1.00 0.00 C ATOM 814 O LYS A 52 -0.751 -2.561 12.466 1.00 0.00 O ATOM 815 CB LYS A 52 -1.420 -0.240 10.418 1.00 0.00 C ATOM 816 CG LYS A 52 -1.616 0.319 11.818 1.00 0.00 C ATOM 817 CD LYS A 52 -0.493 1.268 12.201 1.00 0.00 C ATOM 818 CE LYS A 52 -0.382 1.420 13.709 1.00 0.00 C ATOM 819 NZ LYS A 52 0.197 2.737 14.095 1.00 0.00 N ATOM 0 H LYS A 52 -0.997 -1.517 8.341 1.00 0.00 H new ATOM 0 HA LYS A 52 0.510 -1.128 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.035 0.549 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.388 -0.538 10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.570 0.843 11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.662 -0.501 12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.451 0.897 11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.669 2.244 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.369 1.312 14.158 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.240 0.619 14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.716 2.639 14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.848 3.061 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.568 3.432 14.212 1.00 0.00 H new ATOM 833 N LEU A 53 -1.698 -3.505 10.657 1.00 0.00 N ATOM 834 CA LEU A 53 -2.252 -4.628 11.397 1.00 0.00 C ATOM 835 C LEU A 53 -1.231 -5.753 11.543 1.00 0.00 C ATOM 836 O LEU A 53 -1.317 -6.567 12.463 1.00 0.00 O ATOM 837 CB LEU A 53 -3.515 -5.151 10.707 1.00 0.00 C ATOM 838 CG LEU A 53 -4.828 -4.807 11.415 1.00 0.00 C ATOM 839 CD1 LEU A 53 -5.590 -3.740 10.644 1.00 0.00 C ATOM 840 CD2 LEU A 53 -5.685 -6.053 11.590 1.00 0.00 C ATOM 0 H LEU A 53 -1.903 -3.516 9.658 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.512 -4.274 12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.550 -4.750 9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.440 -6.235 10.619 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.590 -4.412 12.403 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.520 -3.510 11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.982 -2.838 10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.815 -4.106 9.642 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.614 -5.788 12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.912 -6.479 10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.143 -6.786 12.188 1.00 0.00 H new ATOM 852 N ARG A 54 -0.270 -5.796 10.629 1.00 0.00 N ATOM 853 CA ARG A 54 0.762 -6.823 10.652 1.00 0.00 C ATOM 854 C ARG A 54 1.777 -6.560 11.754 1.00 0.00 C ATOM 855 O ARG A 54 1.974 -7.384 12.648 1.00 0.00 O ATOM 856 CB ARG A 54 1.469 -6.896 9.297 1.00 0.00 C ATOM 857 CG ARG A 54 1.934 -8.295 8.929 1.00 0.00 C ATOM 858 CD ARG A 54 3.066 -8.762 9.830 1.00 0.00 C ATOM 859 NE ARG A 54 3.483 -10.127 9.521 1.00 0.00 N ATOM 860 CZ ARG A 54 2.821 -11.212 9.915 1.00 0.00 C ATOM 861 NH1 ARG A 54 1.710 -11.096 10.632 1.00 0.00 N ATOM 862 NH2 ARG A 54 3.270 -12.417 9.591 1.00 0.00 N ATOM 0 H ARG A 54 -0.184 -5.130 9.861 1.00 0.00 H new ATOM 0 HA ARG A 54 0.278 -7.778 10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.793 -6.532 8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.330 -6.227 9.309 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.097 -8.989 9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.265 -8.308 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.917 -8.090 9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.747 -8.707 10.871 1.00 0.00 H new ATOM 0 HE ARG A 54 4.332 -10.256 8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.360 -10.172 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.207 -11.931 10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.123 -12.512 9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.762 -13.249 9.893 1.00 0.00 H new ATOM 876 N THR A 55 2.419 -5.410 11.674 1.00 0.00 N ATOM 877 CA THR A 55 3.423 -5.018 12.652 1.00 0.00 C ATOM 878 C THR A 55 2.776 -4.513 13.938 1.00 0.00 C ATOM 879 O THR A 55 3.389 -4.538 15.005 1.00 0.00 O ATOM 880 CB THR A 55 4.341 -3.942 12.068 1.00 0.00 C ATOM 881 OG1 THR A 55 3.720 -3.292 10.973 1.00 0.00 O ATOM 882 CG2 THR A 55 5.668 -4.485 11.586 1.00 0.00 C ATOM 0 H THR A 55 2.263 -4.724 10.936 1.00 0.00 H new ATOM 0 HA THR A 55 4.016 -5.900 12.895 1.00 0.00 H new ATOM 0 HB THR A 55 4.527 -3.246 12.886 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.656 -2.331 11.156 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.270 -3.670 11.184 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.195 -4.949 12.419 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.496 -5.227 10.807 1.00 0.00 H new ATOM 890 N GLY A 56 1.535 -4.054 13.828 1.00 0.00 N ATOM 891 CA GLY A 56 0.825 -3.549 14.985 1.00 0.00 C ATOM 892 C GLY A 56 1.323 -2.187 15.438 1.00 0.00 C ATOM 893 O GLY A 56 0.867 -1.663 16.455 1.00 0.00 O ATOM 0 H GLY A 56 1.008 -4.023 12.955 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.238 -3.482 14.752 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.927 -4.259 15.806 1.00 0.00 H new ATOM 897 N LYS A 57 2.257 -1.610 14.686 1.00 0.00 N ATOM 898 CA LYS A 57 2.809 -0.307 15.019 1.00 0.00 C ATOM 899 C LYS A 57 3.632 0.245 13.858 1.00 0.00 C ATOM 900 O LYS A 57 4.845 0.046 13.792 1.00 0.00 O ATOM 901 CB LYS A 57 3.671 -0.406 16.271 1.00 0.00 C ATOM 902 CG LYS A 57 3.400 0.693 17.286 1.00 0.00 C ATOM 903 CD LYS A 57 2.207 0.358 18.166 1.00 0.00 C ATOM 904 CE LYS A 57 0.955 1.092 17.711 1.00 0.00 C ATOM 905 NZ LYS A 57 0.125 1.542 18.862 1.00 0.00 N ATOM 0 H LYS A 57 2.646 -2.028 13.841 1.00 0.00 H new ATOM 0 HA LYS A 57 1.982 0.377 15.210 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.502 -1.374 16.743 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.721 -0.371 15.982 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.283 0.840 17.909 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.217 1.633 16.766 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.028 -0.717 18.144 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.430 0.623 19.199 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.239 1.955 17.109 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.363 0.438 17.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.718 2.038 18.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.168 0.716 19.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.681 2.187 19.460 1.00 0.00 H new ATOM 919 N THR A 58 2.962 0.939 12.944 1.00 0.00 N ATOM 920 CA THR A 58 3.624 1.520 11.788 1.00 0.00 C ATOM 921 C THR A 58 2.931 2.806 11.349 1.00 0.00 C ATOM 922 O THR A 58 1.842 3.130 11.822 1.00 0.00 O ATOM 923 CB THR A 58 3.661 0.525 10.632 1.00 0.00 C ATOM 924 OG1 THR A 58 3.287 -0.771 11.065 1.00 0.00 O ATOM 925 CG2 THR A 58 5.023 0.419 9.978 1.00 0.00 C ATOM 0 H THR A 58 1.958 1.112 12.984 1.00 0.00 H new ATOM 0 HA THR A 58 4.647 1.761 12.077 1.00 0.00 H new ATOM 0 HB THR A 58 2.952 0.911 9.899 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.634 -1.149 10.440 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.980 -0.305 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.314 1.392 9.583 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.756 0.093 10.716 1.00 0.00 H new ATOM 933 N ARG A 59 3.563 3.522 10.427 1.00 0.00 N ATOM 934 CA ARG A 59 3.010 4.755 9.903 1.00 0.00 C ATOM 935 C ARG A 59 3.564 5.023 8.512 1.00 0.00 C ATOM 936 O ARG A 59 4.303 5.983 8.292 1.00 0.00 O ATOM 937 CB ARG A 59 3.327 5.926 10.836 1.00 0.00 C ATOM 938 CG ARG A 59 2.257 7.006 10.843 1.00 0.00 C ATOM 939 CD ARG A 59 2.403 7.942 9.654 1.00 0.00 C ATOM 940 NE ARG A 59 3.545 8.841 9.803 1.00 0.00 N ATOM 941 CZ ARG A 59 3.749 9.913 9.039 1.00 0.00 C ATOM 942 NH1 ARG A 59 2.892 10.222 8.075 1.00 0.00 N ATOM 943 NH2 ARG A 59 4.813 10.677 9.242 1.00 0.00 N ATOM 0 H ARG A 59 4.465 3.264 10.027 1.00 0.00 H new ATOM 0 HA ARG A 59 1.927 4.652 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.456 5.547 11.850 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.277 6.370 10.539 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.271 6.543 10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.322 7.578 11.768 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.520 7.355 8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.492 8.529 9.541 1.00 0.00 H new ATOM 0 HE ARG A 59 4.226 8.636 10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.071 9.638 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.054 11.044 7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.475 10.444 9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.970 11.498 8.658 1.00 0.00 H new ATOM 957 N THR A 60 3.194 4.160 7.578 1.00 0.00 N ATOM 958 CA THR A 60 3.634 4.277 6.201 1.00 0.00 C ATOM 959 C THR A 60 2.492 3.952 5.242 1.00 0.00 C ATOM 960 O THR A 60 2.331 2.806 4.823 1.00 0.00 O ATOM 961 CB THR A 60 4.823 3.352 5.939 1.00 0.00 C ATOM 962 OG1 THR A 60 5.115 2.568 7.083 1.00 0.00 O ATOM 963 CG2 THR A 60 6.086 4.094 5.557 1.00 0.00 C ATOM 0 H THR A 60 2.583 3.363 7.755 1.00 0.00 H new ATOM 0 HA THR A 60 3.948 5.307 6.029 1.00 0.00 H new ATOM 0 HB THR A 60 4.519 2.726 5.100 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.878 1.983 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.890 3.379 5.385 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.910 4.668 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.368 4.771 6.363 1.00 0.00 H new ATOM 971 N ARG A 61 1.699 4.963 4.902 1.00 0.00 N ATOM 972 CA ARG A 61 0.574 4.778 4.001 1.00 0.00 C ATOM 973 C ARG A 61 0.864 5.381 2.636 1.00 0.00 C ATOM 974 O ARG A 61 0.417 4.871 1.609 1.00 0.00 O ATOM 975 CB ARG A 61 -0.694 5.402 4.590 1.00 0.00 C ATOM 976 CG ARG A 61 -0.839 5.194 6.090 1.00 0.00 C ATOM 977 CD ARG A 61 -0.350 6.403 6.870 1.00 0.00 C ATOM 978 NE ARG A 61 -1.178 6.669 8.044 1.00 0.00 N ATOM 979 CZ ARG A 61 -1.199 7.833 8.689 1.00 0.00 C ATOM 980 NH1 ARG A 61 -0.440 8.841 8.277 1.00 0.00 N ATOM 981 NH2 ARG A 61 -1.981 7.989 9.748 1.00 0.00 N ATOM 0 H ARG A 61 1.817 5.919 5.239 1.00 0.00 H new ATOM 0 HA ARG A 61 0.417 3.706 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.694 6.471 4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.564 4.978 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.884 5.002 6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.274 4.312 6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.681 6.239 7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.351 7.278 6.220 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.775 5.918 8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.163 8.726 7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.460 9.731 8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.566 7.217 10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.998 8.881 10.243 1.00 0.00 H new ATOM 995 N LYS A 62 1.615 6.470 2.637 1.00 0.00 N ATOM 996 CA LYS A 62 1.973 7.155 1.406 1.00 0.00 C ATOM 997 C LYS A 62 2.985 6.347 0.605 1.00 0.00 C ATOM 998 O LYS A 62 3.020 6.415 -0.623 1.00 0.00 O ATOM 999 CB LYS A 62 2.531 8.541 1.717 1.00 0.00 C ATOM 1000 CG LYS A 62 1.782 9.669 1.025 1.00 0.00 C ATOM 1001 CD LYS A 62 0.744 10.293 1.944 1.00 0.00 C ATOM 1002 CE LYS A 62 -0.001 11.425 1.254 1.00 0.00 C ATOM 1003 NZ LYS A 62 0.803 12.678 1.217 1.00 0.00 N ATOM 0 H LYS A 62 1.990 6.901 3.482 1.00 0.00 H new ATOM 0 HA LYS A 62 1.072 7.263 0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.499 8.703 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.579 8.576 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.489 10.433 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.293 9.287 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.034 9.530 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.232 10.671 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.254 11.126 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.940 11.612 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.260 13.425 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.023 12.978 2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.688 12.507 0.698 1.00 0.00 H new ATOM 1017 N GLN A 63 3.805 5.584 1.312 1.00 0.00 N ATOM 1018 CA GLN A 63 4.819 4.759 0.675 1.00 0.00 C ATOM 1019 C GLN A 63 4.198 3.521 0.042 1.00 0.00 C ATOM 1020 O GLN A 63 4.719 2.981 -0.934 1.00 0.00 O ATOM 1021 CB GLN A 63 5.891 4.357 1.686 1.00 0.00 C ATOM 1022 CG GLN A 63 7.276 4.881 1.345 1.00 0.00 C ATOM 1023 CD GLN A 63 8.351 4.323 2.257 1.00 0.00 C ATOM 1024 OE1 GLN A 63 8.157 3.298 2.910 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.494 4.997 2.305 1.00 0.00 N ATOM 0 H GLN A 63 3.787 5.519 2.330 1.00 0.00 H new ATOM 0 HA GLN A 63 5.285 5.347 -0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.605 4.725 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.929 3.270 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.513 4.626 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.276 5.969 1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.611 5.842 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.255 4.669 2.900 1.00 0.00 H new ATOM 1034 N VAL A 64 3.082 3.077 0.604 1.00 0.00 N ATOM 1035 CA VAL A 64 2.388 1.905 0.096 1.00 0.00 C ATOM 1036 C VAL A 64 1.535 2.249 -1.116 1.00 0.00 C ATOM 1037 O VAL A 64 1.216 1.380 -1.926 1.00 0.00 O ATOM 1038 CB VAL A 64 1.493 1.258 1.171 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.978 -0.091 0.696 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.247 1.115 2.484 1.00 0.00 C ATOM 0 H VAL A 64 2.639 3.512 1.413 1.00 0.00 H new ATOM 0 HA VAL A 64 3.160 1.193 -0.195 1.00 0.00 H new ATOM 0 HB VAL A 64 0.636 1.910 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.348 -0.532 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.395 0.042 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.821 -0.752 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.597 0.656 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.125 0.487 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.560 2.099 2.833 1.00 0.00 H new ATOM 1050 N SER A 65 1.178 3.520 -1.244 1.00 0.00 N ATOM 1051 CA SER A 65 0.376 3.970 -2.366 1.00 0.00 C ATOM 1052 C SER A 65 1.274 4.271 -3.551 1.00 0.00 C ATOM 1053 O SER A 65 0.887 4.103 -4.706 1.00 0.00 O ATOM 1054 CB SER A 65 -0.437 5.209 -1.988 1.00 0.00 C ATOM 1055 OG SER A 65 -0.666 5.262 -0.591 1.00 0.00 O ATOM 0 H SER A 65 1.432 4.255 -0.584 1.00 0.00 H new ATOM 0 HA SER A 65 -0.320 3.177 -2.638 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.093 6.107 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.391 5.197 -2.516 1.00 0.00 H new ATOM 0 HG SER A 65 -1.366 4.620 -0.350 1.00 0.00 H new ATOM 1061 N SER A 66 2.485 4.705 -3.241 1.00 0.00 N ATOM 1062 CA SER A 66 3.470 5.025 -4.253 1.00 0.00 C ATOM 1063 C SER A 66 3.984 3.758 -4.916 1.00 0.00 C ATOM 1064 O SER A 66 4.296 3.746 -6.106 1.00 0.00 O ATOM 1065 CB SER A 66 4.623 5.790 -3.622 1.00 0.00 C ATOM 1066 OG SER A 66 4.990 6.910 -4.409 1.00 0.00 O ATOM 0 H SER A 66 2.809 4.844 -2.284 1.00 0.00 H new ATOM 0 HA SER A 66 3.001 5.646 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.339 6.122 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.481 5.128 -3.506 1.00 0.00 H new ATOM 0 HG SER A 66 5.732 7.383 -3.978 1.00 0.00 H new ATOM 1072 N HIS A 67 4.069 2.696 -4.131 1.00 0.00 N ATOM 1073 CA HIS A 67 4.548 1.416 -4.631 1.00 0.00 C ATOM 1074 C HIS A 67 3.548 0.794 -5.595 1.00 0.00 C ATOM 1075 O HIS A 67 3.929 0.144 -6.568 1.00 0.00 O ATOM 1076 CB HIS A 67 4.829 0.457 -3.474 1.00 0.00 C ATOM 1077 CG HIS A 67 5.748 -0.666 -3.842 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.689 -1.562 -4.855 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.890 -0.969 -3.131 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.785 -2.381 -4.739 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.494 -2.002 -3.691 1.00 0.00 N flip ATOM 0 H HIS A 67 3.812 2.694 -3.144 1.00 0.00 H new ATOM 0 HA HIS A 67 5.477 1.597 -5.172 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.264 1.016 -2.646 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.886 0.043 -3.118 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.965 -1.618 -5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.237 -0.444 -2.253 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.028 -3.202 -5.398 1.00 0.00 H new ATOM 1090 N ILE A 68 2.270 1.001 -5.321 1.00 0.00 N ATOM 1091 CA ILE A 68 1.216 0.463 -6.169 1.00 0.00 C ATOM 1092 C ILE A 68 1.139 1.221 -7.486 1.00 0.00 C ATOM 1093 O ILE A 68 0.720 0.676 -8.507 1.00 0.00 O ATOM 1094 CB ILE A 68 -0.160 0.513 -5.475 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.075 -0.094 -4.075 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -1.205 -0.217 -6.308 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.080 0.489 -3.107 1.00 0.00 C ATOM 0 H ILE A 68 1.937 1.537 -4.520 1.00 0.00 H new ATOM 0 HA ILE A 68 1.470 -0.579 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.461 1.557 -5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.230 -1.171 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.930 0.059 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.170 -0.171 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.285 0.256 -7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.909 -1.259 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.965 0.014 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.912 1.562 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.089 0.312 -3.480 1.00 0.00 H new ATOM 1109 N GLN A 69 1.551 2.481 -7.454 1.00 0.00 N ATOM 1110 CA GLN A 69 1.535 3.318 -8.643 1.00 0.00 C ATOM 1111 C GLN A 69 2.671 2.943 -9.585 1.00 0.00 C ATOM 1112 O GLN A 69 2.568 3.115 -10.799 1.00 0.00 O ATOM 1113 CB GLN A 69 1.633 4.795 -8.258 1.00 0.00 C ATOM 1114 CG GLN A 69 0.411 5.310 -7.514 1.00 0.00 C ATOM 1115 CD GLN A 69 -0.066 6.653 -8.033 1.00 0.00 C ATOM 1116 OE1 GLN A 69 0.139 6.988 -9.200 1.00 0.00 O ATOM 1117 NE2 GLN A 69 -0.705 7.429 -7.166 1.00 0.00 N ATOM 0 H GLN A 69 1.901 2.945 -6.616 1.00 0.00 H new ATOM 0 HA GLN A 69 0.591 3.153 -9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.516 4.942 -7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.776 5.389 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.396 4.583 -7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.646 5.398 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.852 7.110 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.049 8.344 -7.457 1.00 0.00 H new ATOM 1126 N VAL A 70 3.751 2.423 -9.016 1.00 0.00 N ATOM 1127 CA VAL A 70 4.904 2.015 -9.804 1.00 0.00 C ATOM 1128 C VAL A 70 4.622 0.721 -10.550 1.00 0.00 C ATOM 1129 O VAL A 70 5.142 0.493 -11.642 1.00 0.00 O ATOM 1130 CB VAL A 70 6.158 1.832 -8.939 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.411 1.864 -9.800 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.225 2.888 -7.844 1.00 0.00 C ATOM 0 H VAL A 70 3.851 2.274 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 70 5.091 2.817 -10.518 1.00 0.00 H new ATOM 0 HB VAL A 70 6.099 0.856 -8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.290 1.733 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.368 1.060 -10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.474 2.823 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.123 2.735 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.254 3.879 -8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.345 2.806 -7.205 1.00 0.00 H new ATOM 1142 N LEU A 71 3.788 -0.119 -9.955 1.00 0.00 N ATOM 1143 CA LEU A 71 3.425 -1.390 -10.562 1.00 0.00 C ATOM 1144 C LEU A 71 2.508 -1.171 -11.757 1.00 0.00 C ATOM 1145 O LEU A 71 2.498 -1.960 -12.702 1.00 0.00 O ATOM 1146 CB LEU A 71 2.753 -2.300 -9.535 1.00 0.00 C ATOM 1147 CG LEU A 71 3.498 -3.603 -9.240 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.224 -4.064 -7.817 1.00 0.00 C ATOM 1149 CD2 LEU A 71 3.099 -4.681 -10.237 1.00 0.00 C ATOM 0 H LEU A 71 3.350 0.057 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 71 4.336 -1.875 -10.912 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.636 -1.747 -8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.751 -2.544 -9.888 1.00 0.00 H new ATOM 0 HG LEU A 71 4.568 -3.419 -9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.762 -4.992 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.558 -3.299 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.155 -4.231 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.638 -5.601 -10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.026 -4.862 -10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.346 -4.352 -11.246 1.00 0.00 H new ATOM 1161 N ALA A 72 1.743 -0.088 -11.709 1.00 0.00 N ATOM 1162 CA ALA A 72 0.826 0.247 -12.786 1.00 0.00 C ATOM 1163 C ALA A 72 1.587 0.709 -14.021 1.00 0.00 C ATOM 1164 O ALA A 72 1.117 0.558 -15.148 1.00 0.00 O ATOM 1165 CB ALA A 72 -0.156 1.317 -12.334 1.00 0.00 C ATOM 0 H ALA A 72 1.741 0.574 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 72 0.265 -0.650 -13.048 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.835 1.556 -13.152 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.729 0.949 -11.483 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.391 2.214 -12.043 1.00 0.00 H new ATOM 1171 N ARG A 73 2.769 1.270 -13.798 1.00 0.00 N ATOM 1172 CA ARG A 73 3.604 1.752 -14.887 1.00 0.00 C ATOM 1173 C ARG A 73 4.187 0.589 -15.679 1.00 0.00 C ATOM 1174 O ARG A 73 4.462 0.711 -16.873 1.00 0.00 O ATOM 1175 CB ARG A 73 4.730 2.635 -14.346 1.00 0.00 C ATOM 1176 CG ARG A 73 4.364 4.109 -14.270 1.00 0.00 C ATOM 1177 CD ARG A 73 4.877 4.873 -15.480 1.00 0.00 C ATOM 1178 NE ARG A 73 6.336 4.955 -15.498 1.00 0.00 N ATOM 1179 CZ ARG A 73 7.036 5.501 -16.490 1.00 0.00 C ATOM 1180 NH1 ARG A 73 6.415 6.013 -17.546 1.00 0.00 N ATOM 1181 NH2 ARG A 73 8.360 5.534 -16.427 1.00 0.00 N ATOM 0 H ARG A 73 3.170 1.402 -12.870 1.00 0.00 H new ATOM 0 HA ARG A 73 2.980 2.346 -15.555 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.008 2.286 -13.351 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.608 2.519 -14.981 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.281 4.213 -14.205 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.781 4.542 -13.361 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.530 4.385 -16.391 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.457 5.879 -15.478 1.00 0.00 H new ATOM 0 HE ARG A 73 6.848 4.571 -14.704 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.397 5.989 -17.600 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.956 6.430 -18.303 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.842 5.141 -15.619 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.896 5.952 -17.187 1.00 0.00 H new ATOM 1195 N ARG A 74 4.372 -0.538 -15.004 1.00 0.00 N ATOM 1196 CA ARG A 74 4.921 -1.727 -15.638 1.00 0.00 C ATOM 1197 C ARG A 74 3.906 -2.358 -16.583 1.00 0.00 C ATOM 1198 O ARG A 74 4.271 -3.003 -17.566 1.00 0.00 O ATOM 1199 CB ARG A 74 5.354 -2.744 -14.580 1.00 0.00 C ATOM 1200 CG ARG A 74 6.795 -2.574 -14.128 1.00 0.00 C ATOM 1201 CD ARG A 74 6.990 -3.052 -12.698 1.00 0.00 C ATOM 1202 NE ARG A 74 6.430 -4.384 -12.484 1.00 0.00 N ATOM 1203 CZ ARG A 74 7.027 -5.510 -12.871 1.00 0.00 C ATOM 1204 NH1 ARG A 74 8.200 -5.468 -13.491 1.00 0.00 N ATOM 1205 NH2 ARG A 74 6.450 -6.680 -12.638 1.00 0.00 N ATOM 0 H ARG A 74 4.149 -0.653 -14.015 1.00 0.00 H new ATOM 0 HA ARG A 74 5.793 -1.427 -16.219 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.698 -2.657 -13.714 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.223 -3.750 -14.980 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.454 -3.132 -14.793 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.080 -1.525 -14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.054 -3.064 -12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.520 -2.347 -12.013 1.00 0.00 H new ATOM 0 HE ARG A 74 5.529 -4.456 -12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.649 -4.570 -13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.653 -6.333 -13.785 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.549 -6.718 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.907 -7.542 -12.934 1.00 0.00 H new ATOM 1219 N LYS A 75 2.630 -2.167 -16.276 1.00 0.00 N ATOM 1220 CA LYS A 75 1.555 -2.713 -17.091 1.00 0.00 C ATOM 1221 C LYS A 75 1.370 -1.907 -18.373 1.00 0.00 C ATOM 1222 O LYS A 75 0.832 -2.408 -19.360 1.00 0.00 O ATOM 1223 CB LYS A 75 0.247 -2.739 -16.297 1.00 0.00 C ATOM 1224 CG LYS A 75 -0.812 -3.647 -16.899 1.00 0.00 C ATOM 1225 CD LYS A 75 -0.493 -5.113 -16.655 1.00 0.00 C ATOM 1226 CE LYS A 75 -1.737 -5.979 -16.761 1.00 0.00 C ATOM 1227 NZ LYS A 75 -2.832 -5.491 -15.877 1.00 0.00 N ATOM 0 H LYS A 75 2.314 -1.636 -15.465 1.00 0.00 H new ATOM 0 HA LYS A 75 1.828 -3.732 -17.365 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.457 -3.065 -15.278 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.149 -1.726 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.785 -3.409 -16.468 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.884 -3.463 -17.971 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.249 -5.450 -17.379 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.050 -5.230 -15.666 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.083 -5.991 -17.794 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.487 -7.006 -16.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.302 -6.302 -15.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.435 -4.870 -15.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.524 -4.960 -16.443 1.00 0.00 H new ATOM 1241 N SER A 76 1.817 -0.657 -18.349 1.00 0.00 N ATOM 1242 CA SER A 76 1.699 0.219 -19.509 1.00 0.00 C ATOM 1243 C SER A 76 2.510 -0.310 -20.689 1.00 0.00 C ATOM 1244 O SER A 76 2.296 0.098 -21.831 1.00 0.00 O ATOM 1245 CB SER A 76 2.158 1.635 -19.154 1.00 0.00 C ATOM 1246 OG SER A 76 1.351 2.609 -19.794 1.00 0.00 O ATOM 0 H SER A 76 2.264 -0.227 -17.539 1.00 0.00 H new ATOM 0 HA SER A 76 0.649 0.244 -19.802 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.114 1.775 -18.074 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.198 1.768 -19.451 1.00 0.00 H new ATOM 0 HG SER A 76 1.664 3.505 -19.550 1.00 0.00 H new ATOM 1252 N ARG A 77 3.437 -1.221 -20.411 1.00 0.00 N ATOM 1253 CA ARG A 77 4.271 -1.803 -21.456 1.00 0.00 C ATOM 1254 C ARG A 77 3.418 -2.499 -22.515 1.00 0.00 C ATOM 1255 O ARG A 77 3.878 -2.743 -23.631 1.00 0.00 O ATOM 1256 CB ARG A 77 5.264 -2.797 -20.851 1.00 0.00 C ATOM 1257 CG ARG A 77 6.326 -2.142 -19.982 1.00 0.00 C ATOM 1258 CD ARG A 77 7.661 -2.860 -20.098 1.00 0.00 C ATOM 1259 NE ARG A 77 8.787 -1.929 -20.074 1.00 0.00 N ATOM 1260 CZ ARG A 77 9.122 -1.199 -19.013 1.00 0.00 C ATOM 1261 NH1 ARG A 77 8.423 -1.289 -17.888 1.00 0.00 N ATOM 1262 NH2 ARG A 77 10.161 -0.377 -19.075 1.00 0.00 N ATOM 0 H ARG A 77 3.629 -1.572 -19.473 1.00 0.00 H new ATOM 0 HA ARG A 77 4.822 -0.994 -21.936 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.717 -3.527 -20.254 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.753 -3.346 -21.656 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.446 -1.099 -20.276 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.999 -2.145 -18.942 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.762 -3.572 -19.279 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.685 -3.434 -21.024 1.00 0.00 H new ATOM 0 HE ARG A 77 9.349 -1.833 -20.920 1.00 0.00 H new ATOM 0 HH11 ARG A 77 7.624 -1.920 -17.833 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.685 -0.727 -17.078 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.703 -0.304 -19.936 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.418 0.183 -18.262 1.00 0.00 H new ATOM 1276 N ASP A 78 2.177 -2.816 -22.160 1.00 0.00 N ATOM 1277 CA ASP A 78 1.266 -3.483 -23.082 1.00 0.00 C ATOM 1278 C ASP A 78 0.863 -2.557 -24.226 1.00 0.00 C ATOM 1279 O ASP A 78 0.470 -3.015 -25.299 1.00 0.00 O ATOM 1280 CB ASP A 78 0.025 -3.973 -22.339 1.00 0.00 C ATOM 1281 CG ASP A 78 -0.120 -5.481 -22.384 1.00 0.00 C ATOM 1282 OD1 ASP A 78 0.433 -6.158 -21.492 1.00 0.00 O ATOM 1283 OD2 ASP A 78 -0.787 -5.986 -23.312 1.00 0.00 O ATOM 0 H ASP A 78 1.780 -2.622 -21.241 1.00 0.00 H new ATOM 0 HA ASP A 78 1.787 -4.340 -23.508 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.075 -3.647 -21.300 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.861 -3.513 -22.775 1.00 0.00 H new ATOM 1288 N LEU A 79 0.961 -1.254 -23.988 1.00 0.00 N ATOM 1289 CA LEU A 79 0.606 -0.263 -24.995 1.00 0.00 C ATOM 1290 C LEU A 79 1.530 -0.360 -26.205 1.00 0.00 C ATOM 1291 O LEU A 79 2.484 0.407 -26.333 1.00 0.00 O ATOM 1292 CB LEU A 79 0.671 1.145 -24.401 1.00 0.00 C ATOM 1293 CG LEU A 79 -0.355 2.132 -24.960 1.00 0.00 C ATOM 1294 CD1 LEU A 79 -1.731 1.860 -24.373 1.00 0.00 C ATOM 1295 CD2 LEU A 79 0.075 3.564 -24.674 1.00 0.00 C ATOM 0 H LEU A 79 1.284 -0.860 -23.105 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.414 -0.465 -25.323 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.534 1.074 -23.322 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.670 1.548 -24.570 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.411 1.998 -26.040 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.448 2.572 -24.782 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.041 0.846 -24.627 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.692 1.967 -23.289 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.666 4.254 -25.078 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.158 3.711 -23.597 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.041 3.754 -25.142 1.00 0.00 H new ATOM 1307 N VAL A 80 1.239 -1.308 -27.091 1.00 0.00 N ATOM 1308 CA VAL A 80 2.043 -1.505 -28.290 1.00 0.00 C ATOM 1309 C VAL A 80 1.926 -0.312 -29.237 1.00 0.00 C ATOM 1310 O VAL A 80 0.873 -0.087 -29.833 1.00 0.00 O ATOM 1311 CB VAL A 80 1.634 -2.777 -29.044 1.00 0.00 C ATOM 1312 CG1 VAL A 80 2.716 -3.185 -30.032 1.00 0.00 C ATOM 1313 CG2 VAL A 80 1.331 -3.911 -28.075 1.00 0.00 C ATOM 0 H VAL A 80 0.452 -1.951 -27.000 1.00 0.00 H new ATOM 0 HA VAL A 80 3.076 -1.605 -27.957 1.00 0.00 H new ATOM 0 HB VAL A 80 0.724 -2.562 -29.603 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.407 -4.089 -30.557 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.872 -2.382 -30.753 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.645 -3.376 -29.495 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.044 -4.801 -28.635 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.218 -4.128 -27.480 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.514 -3.618 -27.416 1.00 0.00 H new ATOM 1323 N PRO A 81 3.008 0.474 -29.391 1.00 0.00 N ATOM 1324 CA PRO A 81 3.011 1.646 -30.273 1.00 0.00 C ATOM 1325 C PRO A 81 2.919 1.271 -31.749 1.00 0.00 C ATOM 1326 O PRO A 81 2.654 2.121 -32.600 1.00 0.00 O ATOM 1327 CB PRO A 81 4.352 2.317 -29.976 1.00 0.00 C ATOM 1328 CG PRO A 81 5.217 1.217 -29.479 1.00 0.00 C ATOM 1329 CD PRO A 81 4.309 0.287 -28.724 1.00 0.00 C ATOM 0 HA PRO A 81 2.149 2.287 -30.091 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.771 2.778 -30.870 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.245 3.105 -29.231 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.705 0.700 -30.305 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.006 1.602 -28.833 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.649 -0.747 -28.786 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.260 0.543 -27.666 1.00 0.00 H new ATOM 1337 N ARG A 82 3.138 -0.005 -32.048 1.00 0.00 N ATOM 1338 CA ARG A 82 3.078 -0.490 -33.422 1.00 0.00 C ATOM 1339 C ARG A 82 1.690 -0.274 -34.016 1.00 0.00 C ATOM 1340 O ARG A 82 0.701 -0.675 -33.367 1.00 0.00 O ATOM 1341 CB ARG A 82 3.444 -1.974 -33.478 1.00 0.00 C ATOM 1342 CG ARG A 82 4.934 -2.239 -33.327 1.00 0.00 C ATOM 1343 CD ARG A 82 5.199 -3.536 -32.578 1.00 0.00 C ATOM 1344 NE ARG A 82 5.729 -4.577 -33.455 1.00 0.00 N ATOM 1345 CZ ARG A 82 4.977 -5.321 -34.263 1.00 0.00 C ATOM 1346 NH1 ARG A 82 3.663 -5.144 -34.309 1.00 0.00 N ATOM 1347 NH2 ARG A 82 5.542 -6.246 -35.027 1.00 0.00 N ATOM 1348 OXT ARG A 82 1.603 0.295 -35.124 1.00 0.00 O ATOM 0 H ARG A 82 3.359 -0.722 -31.357 1.00 0.00 H new ATOM 0 HA ARG A 82 3.798 0.077 -34.012 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.908 -2.502 -32.690 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.104 -2.388 -34.427 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.397 -2.286 -34.312 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.400 -1.409 -32.795 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.905 -3.349 -31.769 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.274 -3.885 -32.119 1.00 0.00 H new ATOM 0 HE ARG A 82 6.735 -4.744 -33.448 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.223 -4.434 -33.723 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.093 -5.718 -34.930 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.552 -6.387 -34.995 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.967 -6.817 -35.647 1.00 0.00 H new TER 1362 ARG A 82