USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 811 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 47 GLN : amide:sc= -1.9 K(o=-2.6,f=-6.9!) USER MOD Set 1.2: A 103 ASN : amide:sc= -0.693 K(o=-2.6,f=-6.9!) USER MOD Single : A 22 MET CE :methyl 150:sc= -0.136 (180deg=-1.04) USER MOD Single : A 24 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.46) USER MOD Single : A 25 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.909 (180deg=-1.74) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.00776 X(o=-0.0078,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -2.16 K(o=-2.2,f=-9.5!) USER MOD Single : A 83 SER OG : rot 5:sc= 0.465 USER MOD Single : A 92 GLN : amide:sc= -1.04 K(o=-1,f=-5.3!) USER MOD Single : A 100 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.22) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 47:sc= 0.877 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.343 F(o=-3.5!,f=-0.34) USER MOD Single : A 113 TYR OH : rot 154:sc= 0.0321 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.306 F(o=-0.93,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 3.944 -8.895 -14.706 1.00 0.00 N ATOM 2 CA ALA A 21 5.069 -8.833 -13.739 1.00 0.00 C ATOM 3 C ALA A 21 5.888 -7.561 -13.931 1.00 0.00 C ATOM 4 O ALA A 21 6.665 -7.448 -14.879 1.00 0.00 O ATOM 5 CB ALA A 21 5.959 -10.059 -13.886 1.00 0.00 C ATOM 0 HA ALA A 21 4.650 -8.818 -12.733 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.780 -10.001 -13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.374 -10.958 -13.694 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.362 -10.097 -14.898 1.00 0.00 H new ATOM 13 N MET A 22 5.707 -6.605 -13.026 1.00 0.00 N ATOM 14 CA MET A 22 6.429 -5.340 -13.095 1.00 0.00 C ATOM 15 C MET A 22 6.505 -4.682 -11.721 1.00 0.00 C ATOM 16 O MET A 22 5.946 -5.188 -10.756 1.00 0.00 O ATOM 17 CB MET A 22 5.752 -4.396 -14.100 1.00 0.00 C ATOM 18 CG MET A 22 6.382 -4.418 -15.475 1.00 0.00 C ATOM 19 SD MET A 22 5.160 -4.527 -16.797 1.00 0.00 S ATOM 20 CE MET A 22 4.018 -3.236 -16.310 1.00 0.00 C ATOM 0 H MET A 22 5.066 -6.682 -12.236 1.00 0.00 H new ATOM 0 HA MET A 22 7.445 -5.545 -13.432 1.00 0.00 H new ATOM 0 HB2 MET A 22 4.700 -4.667 -14.188 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.787 -3.379 -13.710 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.979 -3.517 -15.611 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.064 -5.266 -15.545 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.549 -2.811 -17.198 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.250 -3.656 -15.660 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.559 -2.455 -15.776 1.00 0.00 H new ATOM 30 N ALA A 23 7.199 -3.551 -11.656 1.00 0.00 N ATOM 31 CA ALA A 23 7.347 -2.825 -10.393 1.00 0.00 C ATOM 32 C ALA A 23 8.099 -1.515 -10.601 1.00 0.00 C ATOM 33 O ALA A 23 9.041 -1.447 -11.390 1.00 0.00 O ATOM 34 CB ALA A 23 8.061 -3.688 -9.372 1.00 0.00 C ATOM 0 H ALA A 23 7.665 -3.118 -12.453 1.00 0.00 H new ATOM 0 HA ALA A 23 6.352 -2.587 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.164 -3.136 -8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.484 -4.596 -9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.049 -3.954 -9.748 1.00 0.00 H new ATOM 40 N GLN A 24 7.677 -0.477 -9.886 1.00 0.00 N ATOM 41 CA GLN A 24 8.310 0.832 -9.991 1.00 0.00 C ATOM 42 C GLN A 24 9.461 0.961 -8.998 1.00 0.00 C ATOM 43 O GLN A 24 9.346 0.550 -7.843 1.00 0.00 O ATOM 44 CB GLN A 24 7.284 1.940 -9.746 1.00 0.00 C ATOM 45 CG GLN A 24 6.381 2.207 -10.948 1.00 0.00 C ATOM 46 CD GLN A 24 7.161 2.478 -12.211 1.00 0.00 C ATOM 47 OE1 GLN A 24 6.955 1.821 -13.240 1.00 0.00 O ATOM 48 NE2 GLN A 24 8.064 3.450 -12.155 1.00 0.00 N ATOM 0 H GLN A 24 6.899 -0.517 -9.228 1.00 0.00 H new ATOM 0 HA GLN A 24 8.710 0.934 -11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.666 1.670 -8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.808 2.859 -9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.729 1.348 -11.106 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.738 3.060 -10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.203 3.968 -11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.619 3.679 -12.980 1.00 0.00 H new ATOM 57 N ASN A 25 10.569 1.533 -9.464 1.00 0.00 N ATOM 58 CA ASN A 25 11.741 1.716 -8.607 1.00 0.00 C ATOM 59 C ASN A 25 11.641 3.017 -7.817 1.00 0.00 C ATOM 60 O ASN A 25 11.722 4.107 -8.392 1.00 0.00 O ATOM 61 CB ASN A 25 13.014 1.716 -9.455 1.00 0.00 C ATOM 62 CG ASN A 25 12.939 2.692 -10.620 1.00 0.00 C ATOM 63 OD1 ASN A 25 13.297 3.862 -10.477 1.00 0.00 O ATOM 64 ND2 ASN A 25 12.470 2.215 -11.768 1.00 0.00 N ATOM 0 H ASN A 25 10.681 1.875 -10.419 1.00 0.00 H new ATOM 0 HA ASN A 25 11.780 0.888 -7.899 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.866 1.972 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.191 0.711 -9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.394 2.826 -12.581 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.186 1.238 -11.836 1.00 0.00 H new ATOM 71 N ILE A 26 11.464 2.896 -6.505 1.00 0.00 N ATOM 72 CA ILE A 26 11.352 4.062 -5.638 1.00 0.00 C ATOM 73 C ILE A 26 12.324 3.971 -4.466 1.00 0.00 C ATOM 74 O ILE A 26 12.333 2.986 -3.736 1.00 0.00 O ATOM 75 CB ILE A 26 9.920 4.221 -5.091 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.903 4.137 -6.230 1.00 0.00 C ATOM 77 CG2 ILE A 26 9.781 5.540 -4.345 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.501 3.807 -5.766 1.00 0.00 C ATOM 0 H ILE A 26 11.395 2.002 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 26 11.599 4.932 -6.246 1.00 0.00 H new ATOM 0 HB ILE A 26 9.722 3.408 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.886 5.088 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.229 3.379 -6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.764 5.638 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.484 5.563 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.996 6.366 -5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.834 3.764 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.503 2.842 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.155 4.577 -5.077 1.00 0.00 H new ATOM 90 N THR A 27 13.143 5.006 -4.302 1.00 0.00 N ATOM 91 CA THR A 27 14.120 5.044 -3.221 1.00 0.00 C ATOM 92 C THR A 27 13.541 5.729 -1.987 1.00 0.00 C ATOM 93 O THR A 27 12.826 6.725 -2.095 1.00 0.00 O ATOM 94 CB THR A 27 15.386 5.771 -3.677 1.00 0.00 C ATOM 95 OG1 THR A 27 15.092 6.684 -4.719 1.00 0.00 O ATOM 96 CG2 THR A 27 16.466 4.836 -4.177 1.00 0.00 C ATOM 0 H THR A 27 13.149 5.829 -4.904 1.00 0.00 H new ATOM 0 HA THR A 27 14.374 4.017 -2.957 1.00 0.00 H new ATOM 0 HB THR A 27 15.757 6.288 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.914 7.140 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.336 5.416 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.751 4.150 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.090 4.267 -5.028 1.00 0.00 H new ATOM 104 N ALA A 28 13.855 5.187 -0.815 1.00 0.00 N ATOM 105 CA ALA A 28 13.367 5.743 0.426 1.00 0.00 C ATOM 106 C ALA A 28 14.408 5.601 1.531 1.00 0.00 C ATOM 107 O ALA A 28 15.344 4.810 1.419 1.00 0.00 O ATOM 108 CB ALA A 28 12.066 5.067 0.840 1.00 0.00 C ATOM 0 H ALA A 28 14.446 4.363 -0.706 1.00 0.00 H new ATOM 0 HA ALA A 28 13.175 6.804 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.714 5.499 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.315 5.219 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.238 3.999 0.975 1.00 0.00 H new ATOM 114 N ARG A 29 14.239 6.374 2.608 1.00 0.00 N ATOM 115 CA ARG A 29 15.164 6.336 3.727 1.00 0.00 C ATOM 116 C ARG A 29 14.496 5.737 4.962 1.00 0.00 C ATOM 117 O ARG A 29 13.339 6.033 5.268 1.00 0.00 O ATOM 118 CB ARG A 29 15.676 7.744 4.037 1.00 0.00 C ATOM 119 CG ARG A 29 16.629 7.800 5.228 1.00 0.00 C ATOM 120 CD ARG A 29 15.927 8.289 6.477 1.00 0.00 C ATOM 121 NE ARG A 29 16.741 8.082 7.673 1.00 0.00 N ATOM 122 CZ ARG A 29 17.748 8.876 8.030 1.00 0.00 C ATOM 123 NH1 ARG A 29 18.068 9.929 7.289 1.00 0.00 N ATOM 124 NH2 ARG A 29 18.439 8.615 9.140 1.00 0.00 N ATOM 0 H ARG A 29 13.467 7.031 2.721 1.00 0.00 H new ATOM 0 HA ARG A 29 16.008 5.704 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.184 8.139 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.825 8.396 4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 29 17.047 6.809 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.464 8.461 4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.697 9.349 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.977 7.766 6.589 1.00 0.00 H new ATOM 0 HE ARG A 29 16.525 7.283 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 29 17.541 10.134 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 29 18.841 10.533 7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.196 7.808 9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 29 19.211 9.222 9.415 1.00 0.00 H new ATOM 138 N ILE A 30 15.234 4.890 5.675 1.00 0.00 N ATOM 139 CA ILE A 30 14.713 4.245 6.879 1.00 0.00 C ATOM 140 C ILE A 30 14.317 5.273 7.935 1.00 0.00 C ATOM 141 O ILE A 30 15.085 6.181 8.260 1.00 0.00 O ATOM 142 CB ILE A 30 15.735 3.267 7.499 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.157 3.827 7.408 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.648 1.908 6.822 1.00 0.00 C ATOM 145 CD1 ILE A 30 17.970 3.642 8.662 1.00 0.00 C ATOM 0 H ILE A 30 16.193 4.634 5.441 1.00 0.00 H new ATOM 0 HA ILE A 30 13.832 3.685 6.566 1.00 0.00 H new ATOM 0 HB ILE A 30 15.491 3.144 8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.674 3.345 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.103 4.891 7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.375 1.231 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.645 1.501 6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.862 2.017 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.964 4.065 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.478 4.148 9.493 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.057 2.579 8.886 1.00 0.00 H new ATOM 157 N GLY A 31 13.116 5.114 8.485 1.00 0.00 N ATOM 158 CA GLY A 31 12.638 6.026 9.509 1.00 0.00 C ATOM 159 C GLY A 31 12.152 7.352 8.951 1.00 0.00 C ATOM 160 O GLY A 31 11.777 8.246 9.709 1.00 0.00 O ATOM 0 H GLY A 31 12.465 4.369 8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.825 5.551 10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.440 6.212 10.223 1.00 0.00 H new ATOM 164 N GLU A 32 12.156 7.487 7.636 1.00 0.00 N ATOM 165 CA GLU A 32 11.710 8.720 6.989 1.00 0.00 C ATOM 166 C GLU A 32 10.256 8.604 6.530 1.00 0.00 C ATOM 167 O GLU A 32 9.866 7.596 5.942 1.00 0.00 O ATOM 168 CB GLU A 32 12.607 9.053 5.795 1.00 0.00 C ATOM 169 CG GLU A 32 12.222 10.340 5.083 1.00 0.00 C ATOM 170 CD GLU A 32 12.964 11.548 5.628 1.00 0.00 C ATOM 171 OE1 GLU A 32 14.115 11.777 5.191 1.00 0.00 O ATOM 172 OE2 GLU A 32 12.395 12.266 6.476 1.00 0.00 O ATOM 0 H GLU A 32 12.463 6.760 6.990 1.00 0.00 H new ATOM 0 HA GLU A 32 11.778 9.525 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.639 9.132 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.570 8.229 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.431 10.239 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.149 10.501 5.184 1.00 0.00 H new ATOM 179 N PRO A 33 9.431 9.638 6.786 1.00 0.00 N ATOM 180 CA PRO A 33 8.020 9.637 6.386 1.00 0.00 C ATOM 181 C PRO A 33 7.858 9.641 4.869 1.00 0.00 C ATOM 182 O PRO A 33 8.613 10.305 4.158 1.00 0.00 O ATOM 183 CB PRO A 33 7.461 10.937 6.983 1.00 0.00 C ATOM 184 CG PRO A 33 8.478 11.388 7.977 1.00 0.00 C ATOM 185 CD PRO A 33 9.799 10.883 7.478 1.00 0.00 C ATOM 0 HA PRO A 33 7.503 8.744 6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.307 11.690 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.495 10.767 7.459 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.483 12.475 8.063 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.258 10.991 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.276 11.595 6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.497 10.701 8.295 1.00 0.00 H new ATOM 193 N LEU A 34 6.872 8.896 4.377 1.00 0.00 N ATOM 194 CA LEU A 34 6.620 8.819 2.942 1.00 0.00 C ATOM 195 C LEU A 34 5.122 8.814 2.649 1.00 0.00 C ATOM 196 O LEU A 34 4.346 8.155 3.341 1.00 0.00 O ATOM 197 CB LEU A 34 7.272 7.565 2.355 1.00 0.00 C ATOM 198 CG LEU A 34 8.678 7.773 1.790 1.00 0.00 C ATOM 199 CD1 LEU A 34 9.715 7.703 2.908 1.00 0.00 C ATOM 200 CD2 LEU A 34 8.975 6.742 0.720 1.00 0.00 C ATOM 0 H LEU A 34 6.237 8.339 4.949 1.00 0.00 H new ATOM 0 HA LEU A 34 7.058 9.701 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.318 6.800 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.632 7.178 1.563 1.00 0.00 H new ATOM 0 HG LEU A 34 8.728 8.763 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.711 7.853 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.509 8.480 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.666 6.726 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.979 6.903 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.910 5.742 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.250 6.837 -0.088 1.00 0.00 H new ATOM 212 N VAL A 35 4.725 9.552 1.617 1.00 0.00 N ATOM 213 CA VAL A 35 3.322 9.632 1.236 1.00 0.00 C ATOM 214 C VAL A 35 3.138 9.246 -0.228 1.00 0.00 C ATOM 215 O VAL A 35 3.910 9.662 -1.092 1.00 0.00 O ATOM 216 CB VAL A 35 2.756 11.048 1.450 1.00 0.00 C ATOM 217 CG1 VAL A 35 1.258 11.074 1.185 1.00 0.00 C ATOM 218 CG2 VAL A 35 3.063 11.533 2.859 1.00 0.00 C ATOM 0 H VAL A 35 5.354 10.101 1.032 1.00 0.00 H new ATOM 0 HA VAL A 35 2.780 8.934 1.874 1.00 0.00 H new ATOM 0 HB VAL A 35 3.236 11.723 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.878 12.084 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.065 10.770 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.756 10.387 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.657 12.535 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.610 10.856 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.142 11.556 3.009 1.00 0.00 H new ATOM 228 N LEU A 36 2.111 8.447 -0.493 1.00 0.00 N ATOM 229 CA LEU A 36 1.827 8.004 -1.853 1.00 0.00 C ATOM 230 C LEU A 36 0.323 7.914 -2.094 1.00 0.00 C ATOM 231 O LEU A 36 -0.453 7.694 -1.163 1.00 0.00 O ATOM 232 CB LEU A 36 2.483 6.646 -2.117 1.00 0.00 C ATOM 233 CG LEU A 36 3.655 6.675 -3.101 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.174 5.268 -3.353 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.237 7.332 -4.416 1.00 0.00 C ATOM 0 H LEU A 36 1.464 8.094 0.212 1.00 0.00 H new ATOM 0 HA LEU A 36 2.242 8.739 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.834 6.238 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.725 5.961 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 36 4.458 7.266 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.007 5.308 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.512 4.831 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.376 4.655 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.084 7.343 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.417 6.768 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.912 8.355 -4.225 1.00 0.00 H new ATOM 247 N LYS A 37 -0.082 8.083 -3.349 1.00 0.00 N ATOM 248 CA LYS A 37 -1.493 8.020 -3.713 1.00 0.00 C ATOM 249 C LYS A 37 -1.800 6.741 -4.485 1.00 0.00 C ATOM 250 O LYS A 37 -1.176 6.456 -5.507 1.00 0.00 O ATOM 251 CB LYS A 37 -1.880 9.240 -4.551 1.00 0.00 C ATOM 252 CG LYS A 37 -2.343 10.426 -3.722 1.00 0.00 C ATOM 253 CD LYS A 37 -1.169 11.280 -3.267 1.00 0.00 C ATOM 254 CE LYS A 37 -1.009 12.519 -4.135 1.00 0.00 C ATOM 255 NZ LYS A 37 -1.434 13.755 -3.421 1.00 0.00 N ATOM 0 H LYS A 37 0.547 8.265 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.079 8.018 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.024 9.542 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.674 8.958 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.031 11.035 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.894 10.070 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.316 11.579 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.253 10.690 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.033 12.616 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.599 12.404 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.310 14.577 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.435 13.673 -3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.854 13.879 -2.566 1.00 0.00 H new ATOM 269 N CYS A 38 -2.767 5.974 -3.989 1.00 0.00 N ATOM 270 CA CYS A 38 -3.159 4.725 -4.633 1.00 0.00 C ATOM 271 C CYS A 38 -4.632 4.758 -5.029 1.00 0.00 C ATOM 272 O CYS A 38 -5.485 4.205 -4.334 1.00 0.00 O ATOM 273 CB CYS A 38 -2.893 3.540 -3.701 1.00 0.00 C ATOM 274 SG CYS A 38 -2.242 2.062 -4.545 1.00 0.00 S ATOM 0 H CYS A 38 -3.293 6.196 -3.144 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.561 4.606 -5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.184 3.848 -2.932 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.820 3.276 -3.192 1.00 0.00 H new ATOM 279 N LYS A 39 -4.923 5.410 -6.150 1.00 0.00 N ATOM 280 CA LYS A 39 -6.292 5.516 -6.638 1.00 0.00 C ATOM 281 C LYS A 39 -6.839 4.148 -7.030 1.00 0.00 C ATOM 282 O LYS A 39 -6.174 3.127 -6.851 1.00 0.00 O ATOM 283 CB LYS A 39 -6.355 6.466 -7.844 1.00 0.00 C ATOM 284 CG LYS A 39 -5.485 6.030 -9.012 1.00 0.00 C ATOM 285 CD LYS A 39 -6.120 6.391 -10.337 1.00 0.00 C ATOM 286 CE LYS A 39 -6.854 5.206 -10.943 1.00 0.00 C ATOM 287 NZ LYS A 39 -7.211 5.444 -12.369 1.00 0.00 N ATOM 0 H LYS A 39 -4.229 5.873 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.907 5.917 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.389 6.543 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.049 7.463 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.506 6.503 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.323 4.953 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.816 7.218 -10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.351 6.737 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.230 4.316 -10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.760 5.009 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.710 4.613 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.828 6.279 -12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.345 5.607 -12.921 1.00 0.00 H new ATOM 301 N GLY A 40 -8.056 4.133 -7.565 1.00 0.00 N ATOM 302 CA GLY A 40 -8.673 2.885 -7.973 1.00 0.00 C ATOM 303 C GLY A 40 -10.182 2.911 -7.835 1.00 0.00 C ATOM 304 O GLY A 40 -10.900 2.415 -8.712 1.00 0.00 O ATOM 0 H GLY A 40 -8.626 4.964 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.410 2.675 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.270 2.071 -7.371 1.00 0.00 H new ATOM 308 N ALA A 41 -10.664 3.490 -6.741 1.00 0.00 N ATOM 309 CA ALA A 41 -12.097 3.580 -6.491 1.00 0.00 C ATOM 310 C ALA A 41 -12.791 4.417 -7.572 1.00 0.00 C ATOM 311 O ALA A 41 -12.530 5.613 -7.690 1.00 0.00 O ATOM 312 CB ALA A 41 -12.353 4.170 -5.113 1.00 0.00 C ATOM 0 H ALA A 41 -10.082 3.904 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.515 2.574 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.427 4.232 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.898 3.533 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.918 5.168 -5.058 1.00 0.00 H new ATOM 318 N PRO A 42 -13.690 3.802 -8.357 1.00 0.00 N ATOM 319 CA PRO A 42 -14.416 4.508 -9.419 1.00 0.00 C ATOM 320 C PRO A 42 -15.175 5.720 -8.891 1.00 0.00 C ATOM 321 O PRO A 42 -14.954 6.160 -7.762 1.00 0.00 O ATOM 322 CB PRO A 42 -15.394 3.455 -9.950 1.00 0.00 C ATOM 323 CG PRO A 42 -14.787 2.146 -9.581 1.00 0.00 C ATOM 324 CD PRO A 42 -14.067 2.379 -8.283 1.00 0.00 C ATOM 0 HA PRO A 42 -13.741 4.901 -10.180 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.381 3.572 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.520 3.542 -11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.552 1.377 -9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.099 1.803 -10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.708 2.177 -7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.193 1.735 -8.186 1.00 0.00 H new ATOM 332 N LYS A 43 -16.071 6.256 -9.713 1.00 0.00 N ATOM 333 CA LYS A 43 -16.864 7.419 -9.326 1.00 0.00 C ATOM 334 C LYS A 43 -17.965 7.031 -8.343 1.00 0.00 C ATOM 335 O LYS A 43 -18.459 7.867 -7.587 1.00 0.00 O ATOM 336 CB LYS A 43 -17.474 8.081 -10.563 1.00 0.00 C ATOM 337 CG LYS A 43 -17.383 9.598 -10.549 1.00 0.00 C ATOM 338 CD LYS A 43 -18.453 10.232 -11.426 1.00 0.00 C ATOM 339 CE LYS A 43 -19.473 10.998 -10.598 1.00 0.00 C ATOM 340 NZ LYS A 43 -20.848 10.871 -11.154 1.00 0.00 N ATOM 0 H LYS A 43 -16.267 5.905 -10.650 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.201 8.129 -8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.970 7.703 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.521 7.789 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.489 9.960 -9.526 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.397 9.907 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.984 10.907 -12.142 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.959 9.457 -12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.460 10.627 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.193 12.051 -10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.513 11.407 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.867 11.248 -12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.126 9.869 -11.167 1.00 0.00 H new ATOM 354 N LYS A 44 -18.344 5.759 -8.361 1.00 0.00 N ATOM 355 CA LYS A 44 -19.386 5.258 -7.480 1.00 0.00 C ATOM 356 C LYS A 44 -18.972 5.404 -6.009 1.00 0.00 C ATOM 357 O LYS A 44 -17.801 5.634 -5.707 1.00 0.00 O ATOM 358 CB LYS A 44 -19.686 3.791 -7.785 1.00 0.00 C ATOM 359 CG LYS A 44 -20.722 3.603 -8.888 1.00 0.00 C ATOM 360 CD LYS A 44 -20.784 2.158 -9.347 1.00 0.00 C ATOM 361 CE LYS A 44 -19.925 1.934 -10.581 1.00 0.00 C ATOM 362 NZ LYS A 44 -19.478 0.519 -10.698 1.00 0.00 N ATOM 0 H LYS A 44 -17.942 5.055 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 44 -20.285 5.850 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.762 3.291 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.040 3.303 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.702 3.914 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.476 4.245 -9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -20.447 1.504 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.817 1.888 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.490 2.211 -11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.054 2.588 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.895 0.409 -11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.917 0.262 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.309 -0.103 -10.763 1.00 0.00 H new ATOM 376 N PRO A 45 -19.933 5.270 -5.078 1.00 0.00 N ATOM 377 CA PRO A 45 -19.663 5.387 -3.641 1.00 0.00 C ATOM 378 C PRO A 45 -18.480 4.527 -3.203 1.00 0.00 C ATOM 379 O PRO A 45 -18.012 3.672 -3.955 1.00 0.00 O ATOM 380 CB PRO A 45 -20.958 4.888 -2.998 1.00 0.00 C ATOM 381 CG PRO A 45 -22.014 5.165 -4.011 1.00 0.00 C ATOM 382 CD PRO A 45 -21.357 4.994 -5.353 1.00 0.00 C ATOM 0 HA PRO A 45 -19.395 6.404 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.901 3.824 -2.766 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -21.161 5.408 -2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.853 4.479 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.410 6.174 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.502 3.988 -5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -21.765 5.686 -6.090 1.00 0.00 H new ATOM 390 N PRO A 46 -17.979 4.741 -1.973 1.00 0.00 N ATOM 391 CA PRO A 46 -16.846 3.980 -1.438 1.00 0.00 C ATOM 392 C PRO A 46 -17.093 2.476 -1.477 1.00 0.00 C ATOM 393 O PRO A 46 -17.862 1.941 -0.678 1.00 0.00 O ATOM 394 CB PRO A 46 -16.723 4.468 -0.002 1.00 0.00 C ATOM 395 CG PRO A 46 -18.002 5.181 0.287 1.00 0.00 C ATOM 396 CD PRO A 46 -18.473 5.734 -1.009 1.00 0.00 C ATOM 0 HA PRO A 46 -15.941 4.135 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.574 3.634 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.868 5.133 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.740 4.500 0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.848 5.976 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.559 5.826 -1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.063 6.726 -1.201 1.00 0.00 H new ATOM 404 N GLN A 47 -16.436 1.799 -2.414 1.00 0.00 N ATOM 405 CA GLN A 47 -16.584 0.356 -2.561 1.00 0.00 C ATOM 406 C GLN A 47 -15.562 -0.387 -1.706 1.00 0.00 C ATOM 407 O GLN A 47 -14.799 0.226 -0.968 1.00 0.00 O ATOM 408 CB GLN A 47 -16.427 -0.044 -4.029 1.00 0.00 C ATOM 409 CG GLN A 47 -17.740 -0.073 -4.804 1.00 0.00 C ATOM 410 CD GLN A 47 -17.751 0.886 -5.971 1.00 0.00 C ATOM 411 OE1 GLN A 47 -18.633 1.737 -6.092 1.00 0.00 O ATOM 412 NE2 GLN A 47 -16.769 0.751 -6.855 1.00 0.00 N ATOM 0 H GLN A 47 -15.796 2.227 -3.083 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.582 0.081 -2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -15.745 0.654 -4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -15.964 -1.030 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.919 -1.084 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.560 0.173 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.056 0.034 -6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.727 1.365 -7.669 1.00 0.00 H new ATOM 421 N ARG A 48 -15.555 -1.711 -1.828 1.00 0.00 N ATOM 422 CA ARG A 48 -14.628 -2.540 -1.059 1.00 0.00 C ATOM 423 C ARG A 48 -13.190 -2.308 -1.514 1.00 0.00 C ATOM 424 O ARG A 48 -12.949 -1.764 -2.591 1.00 0.00 O ATOM 425 CB ARG A 48 -14.996 -4.019 -1.209 1.00 0.00 C ATOM 426 CG ARG A 48 -15.485 -4.658 0.072 1.00 0.00 C ATOM 427 CD ARG A 48 -16.333 -5.890 -0.194 1.00 0.00 C ATOM 428 NE ARG A 48 -15.650 -7.122 0.184 1.00 0.00 N ATOM 429 CZ ARG A 48 -16.270 -8.284 0.367 1.00 0.00 C ATOM 430 NH1 ARG A 48 -17.585 -8.377 0.211 1.00 0.00 N ATOM 431 NH2 ARG A 48 -15.573 -9.358 0.715 1.00 0.00 N ATOM 0 H ARG A 48 -16.176 -2.232 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.706 -2.259 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.769 -4.116 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.124 -4.566 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.630 -4.933 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.068 -3.932 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.269 -5.811 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.591 -5.930 -1.252 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.639 -7.090 0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.127 -7.554 -0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.053 -9.272 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.563 -9.292 0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.047 -10.250 0.856 1.00 0.00 H new ATOM 445 N LEU A 49 -12.239 -2.726 -0.685 1.00 0.00 N ATOM 446 CA LEU A 49 -10.824 -2.565 -1.008 1.00 0.00 C ATOM 447 C LEU A 49 -9.975 -3.552 -0.206 1.00 0.00 C ATOM 448 O LEU A 49 -10.259 -3.835 0.942 1.00 0.00 O ATOM 449 CB LEU A 49 -10.373 -1.133 -0.706 1.00 0.00 C ATOM 450 CG LEU A 49 -8.883 -0.864 -0.930 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.672 0.521 -1.532 1.00 0.00 C ATOM 452 CD2 LEU A 49 -8.114 -1.008 0.368 1.00 0.00 C ATOM 0 H LEU A 49 -12.420 -3.177 0.212 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.690 -2.767 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.948 -0.448 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.617 -0.902 0.331 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.503 -1.603 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.606 0.693 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.190 0.584 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.069 1.277 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.057 -0.813 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.496 -0.294 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.236 -2.021 0.753 1.00 0.00 H new ATOM 464 N GLU A 50 -8.931 -4.074 -0.843 1.00 0.00 N ATOM 465 CA GLU A 50 -8.041 -5.030 -0.195 1.00 0.00 C ATOM 466 C GLU A 50 -6.580 -4.659 -0.436 1.00 0.00 C ATOM 467 O GLU A 50 -6.188 -4.308 -1.541 1.00 0.00 O ATOM 468 CB GLU A 50 -8.309 -6.443 -0.717 1.00 0.00 C ATOM 469 CG GLU A 50 -8.208 -6.562 -2.229 1.00 0.00 C ATOM 470 CD GLU A 50 -9.365 -7.334 -2.833 1.00 0.00 C ATOM 471 OE1 GLU A 50 -9.496 -8.539 -2.540 1.00 0.00 O ATOM 472 OE2 GLU A 50 -10.139 -6.734 -3.607 1.00 0.00 O ATOM 0 H GLU A 50 -8.681 -3.851 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.236 -5.002 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.599 -7.132 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.305 -6.755 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.174 -5.564 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.272 -7.056 -2.489 1.00 0.00 H new ATOM 479 N TRP A 51 -5.778 -4.739 0.613 1.00 0.00 N ATOM 480 CA TRP A 51 -4.360 -4.412 0.532 1.00 0.00 C ATOM 481 C TRP A 51 -3.513 -5.679 0.458 1.00 0.00 C ATOM 482 O TRP A 51 -3.698 -6.602 1.250 1.00 0.00 O ATOM 483 CB TRP A 51 -3.936 -3.561 1.732 1.00 0.00 C ATOM 484 CG TRP A 51 -3.097 -2.379 1.347 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.457 -1.344 0.533 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.755 -2.111 1.776 1.00 0.00 C ATOM 487 NE1 TRP A 51 -2.421 -0.448 0.423 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.365 -0.897 1.180 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.845 -2.779 2.593 1.00 0.00 C ATOM 490 CZ2 TRP A 51 -0.106 -0.338 1.375 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.405 -2.223 2.793 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.764 -1.013 2.187 1.00 0.00 C ATOM 0 H TRP A 51 -6.087 -5.030 1.540 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.198 -3.837 -0.380 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.826 -3.212 2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.378 -4.183 2.432 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.416 -1.244 0.046 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.433 0.409 -0.130 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.111 -3.715 3.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.174 0.593 0.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.116 -2.731 3.427 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.748 -0.604 2.364 1.00 0.00 H new ATOM 503 N LYS A 52 -2.584 -5.715 -0.484 1.00 0.00 N ATOM 504 CA LYS A 52 -1.708 -6.870 -0.652 1.00 0.00 C ATOM 505 C LYS A 52 -0.312 -6.434 -1.088 1.00 0.00 C ATOM 506 O LYS A 52 -0.161 -5.505 -1.874 1.00 0.00 O ATOM 507 CB LYS A 52 -2.300 -7.840 -1.669 1.00 0.00 C ATOM 508 CG LYS A 52 -2.979 -9.047 -1.042 1.00 0.00 C ATOM 509 CD LYS A 52 -3.517 -9.996 -2.101 1.00 0.00 C ATOM 510 CE LYS A 52 -4.569 -10.935 -1.529 1.00 0.00 C ATOM 511 NZ LYS A 52 -4.125 -12.355 -1.566 1.00 0.00 N ATOM 0 H LYS A 52 -2.415 -4.958 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.623 -7.376 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.024 -7.308 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.507 -8.185 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.269 -9.575 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.796 -8.714 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.949 -9.421 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.696 -10.579 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.789 -10.650 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.495 -10.829 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.870 -12.962 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.940 -12.635 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.255 -12.461 -1.006 1.00 0.00 H new ATOM 525 N LEU A 53 0.704 -7.111 -0.557 1.00 0.00 N ATOM 526 CA LEU A 53 2.087 -6.794 -0.900 1.00 0.00 C ATOM 527 C LEU A 53 2.952 -8.050 -0.892 1.00 0.00 C ATOM 528 O LEU A 53 2.752 -8.948 -0.065 1.00 0.00 O ATOM 529 CB LEU A 53 2.651 -5.767 0.084 1.00 0.00 C ATOM 530 CG LEU A 53 2.393 -6.079 1.553 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.693 -6.419 2.265 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.702 -4.907 2.244 1.00 0.00 C ATOM 0 H LEU A 53 0.596 -7.877 0.108 1.00 0.00 H new ATOM 0 HA LEU A 53 2.100 -6.373 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.727 -5.688 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.223 -4.791 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 53 1.733 -6.945 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.487 -6.639 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.149 -7.290 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.376 -5.572 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.528 -5.153 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.335 -4.022 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.748 -4.707 1.755 1.00 0.00 H new ATOM 544 N ASN A 54 3.911 -8.108 -1.802 1.00 0.00 N ATOM 545 CA ASN A 54 4.807 -9.255 -1.901 1.00 0.00 C ATOM 546 C ASN A 54 6.204 -8.899 -1.405 1.00 0.00 C ATOM 547 O ASN A 54 6.818 -7.944 -1.881 1.00 0.00 O ATOM 548 CB ASN A 54 4.877 -9.748 -3.356 1.00 0.00 C ATOM 549 CG ASN A 54 5.020 -11.255 -3.439 1.00 0.00 C ATOM 550 OD1 ASN A 54 4.095 -11.954 -3.855 1.00 0.00 O ATOM 551 ND2 ASN A 54 6.183 -11.764 -3.049 1.00 0.00 N ATOM 0 H ASN A 54 4.091 -7.373 -2.486 1.00 0.00 H new ATOM 0 HA ASN A 54 4.411 -10.052 -1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.976 -9.440 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.721 -9.276 -3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.337 -12.772 -3.087 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.922 -11.147 -2.711 1.00 0.00 H new ATOM 558 N THR A 55 6.702 -9.674 -0.447 1.00 0.00 N ATOM 559 CA THR A 55 8.028 -9.440 0.104 1.00 0.00 C ATOM 560 C THR A 55 8.670 -10.749 0.542 1.00 0.00 C ATOM 561 O THR A 55 8.055 -11.813 0.463 1.00 0.00 O ATOM 562 CB THR A 55 7.943 -8.473 1.278 1.00 0.00 C ATOM 563 OG1 THR A 55 6.770 -7.682 1.195 1.00 0.00 O ATOM 564 CG2 THR A 55 9.125 -7.532 1.376 1.00 0.00 C ATOM 0 H THR A 55 6.207 -10.467 -0.038 1.00 0.00 H new ATOM 0 HA THR A 55 8.652 -8.999 -0.673 1.00 0.00 H new ATOM 0 HB THR A 55 7.933 -9.106 2.166 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.734 -7.069 1.959 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.995 -6.873 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.041 -8.110 1.497 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.191 -6.934 0.467 1.00 0.00 H new ATOM 572 N GLY A 56 9.910 -10.663 1.020 1.00 0.00 N ATOM 573 CA GLY A 56 10.615 -11.848 1.472 1.00 0.00 C ATOM 574 C GLY A 56 9.906 -12.542 2.610 1.00 0.00 C ATOM 575 O GLY A 56 9.631 -13.740 2.543 1.00 0.00 O ATOM 0 H GLY A 56 10.437 -9.794 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.724 -12.542 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.620 -11.570 1.789 1.00 0.00 H new ATOM 579 N ARG A 57 9.609 -11.788 3.663 1.00 0.00 N ATOM 580 CA ARG A 57 8.926 -12.338 4.829 1.00 0.00 C ATOM 581 C ARG A 57 7.489 -11.832 4.906 1.00 0.00 C ATOM 582 O ARG A 57 6.597 -12.535 5.378 1.00 0.00 O ATOM 583 CB ARG A 57 9.679 -11.969 6.107 1.00 0.00 C ATOM 584 CG ARG A 57 10.698 -13.013 6.535 1.00 0.00 C ATOM 585 CD ARG A 57 11.675 -12.455 7.558 1.00 0.00 C ATOM 586 NE ARG A 57 11.426 -12.983 8.897 1.00 0.00 N ATOM 587 CZ ARG A 57 12.312 -12.936 9.889 1.00 0.00 C ATOM 588 NH1 ARG A 57 13.504 -12.387 9.698 1.00 0.00 N ATOM 589 NH2 ARG A 57 12.003 -13.441 11.084 1.00 0.00 N ATOM 0 H ARG A 57 9.830 -10.795 3.733 1.00 0.00 H new ATOM 0 HA ARG A 57 8.905 -13.423 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.188 -11.017 5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.960 -11.823 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.181 -13.875 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.247 -13.366 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.694 -12.698 7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.599 -11.368 7.577 1.00 0.00 H new ATOM 0 HE ARG A 57 10.520 -13.413 9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.746 -11.998 8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.179 -12.354 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.087 -13.863 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.682 -13.405 11.844 1.00 0.00 H new ATOM 603 N THR A 58 7.274 -10.607 4.437 1.00 0.00 N ATOM 604 CA THR A 58 5.947 -10.004 4.450 1.00 0.00 C ATOM 605 C THR A 58 5.428 -9.851 5.884 1.00 0.00 C ATOM 606 O THR A 58 5.013 -10.824 6.505 1.00 0.00 O ATOM 607 CB THR A 58 4.971 -10.847 3.636 1.00 0.00 C ATOM 608 OG1 THR A 58 5.568 -11.261 2.420 1.00 0.00 O ATOM 609 CG2 THR A 58 3.690 -10.117 3.287 1.00 0.00 C ATOM 0 H THR A 58 8.003 -10.012 4.043 1.00 0.00 H new ATOM 0 HA THR A 58 6.025 -9.014 4.001 1.00 0.00 H new ATOM 0 HB THR A 58 4.724 -11.697 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.930 -11.802 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.042 -10.775 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.180 -9.820 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.925 -9.230 2.698 1.00 0.00 H new ATOM 617 N GLU A 59 5.451 -8.621 6.378 1.00 0.00 N ATOM 618 CA GLU A 59 4.980 -8.336 7.729 1.00 0.00 C ATOM 619 C GLU A 59 4.215 -7.014 7.777 1.00 0.00 C ATOM 620 O GLU A 59 4.007 -6.447 8.850 1.00 0.00 O ATOM 621 CB GLU A 59 6.158 -8.290 8.703 1.00 0.00 C ATOM 622 CG GLU A 59 6.879 -9.620 8.849 1.00 0.00 C ATOM 623 CD GLU A 59 6.631 -10.274 10.194 1.00 0.00 C ATOM 624 OE1 GLU A 59 7.312 -9.898 11.180 1.00 0.00 O ATOM 625 OE2 GLU A 59 5.756 -11.162 10.270 1.00 0.00 O ATOM 0 H GLU A 59 5.789 -7.806 5.867 1.00 0.00 H new ATOM 0 HA GLU A 59 4.302 -9.137 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.869 -7.536 8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.798 -7.972 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.554 -10.294 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.950 -9.465 8.717 1.00 0.00 H new ATOM 632 N ALA A 60 3.802 -6.526 6.610 1.00 0.00 N ATOM 633 CA ALA A 60 3.065 -5.269 6.532 1.00 0.00 C ATOM 634 C ALA A 60 1.701 -5.458 5.872 1.00 0.00 C ATOM 635 O ALA A 60 0.832 -4.591 5.961 1.00 0.00 O ATOM 636 CB ALA A 60 3.880 -4.239 5.758 1.00 0.00 C ATOM 0 H ALA A 60 3.964 -6.979 5.711 1.00 0.00 H new ATOM 0 HA ALA A 60 2.897 -4.914 7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.325 -3.303 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.829 -4.069 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.070 -4.608 4.750 1.00 0.00 H new ATOM 642 N TRP A 61 1.517 -6.589 5.189 1.00 0.00 N ATOM 643 CA TRP A 61 0.258 -6.879 4.513 1.00 0.00 C ATOM 644 C TRP A 61 -0.911 -6.845 5.504 1.00 0.00 C ATOM 645 O TRP A 61 -0.986 -7.658 6.417 1.00 0.00 O ATOM 646 CB TRP A 61 0.339 -8.248 3.829 1.00 0.00 C ATOM 647 CG TRP A 61 -0.976 -8.739 3.301 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.053 -7.979 2.947 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.352 -10.102 3.071 1.00 0.00 C ATOM 650 NE1 TRP A 61 -3.076 -8.785 2.510 1.00 0.00 N ATOM 651 CE2 TRP A 61 -2.670 -10.092 2.584 1.00 0.00 C ATOM 652 CE3 TRP A 61 -0.703 -11.329 3.234 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -3.349 -11.262 2.252 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -1.378 -12.489 2.903 1.00 0.00 C ATOM 655 CH2 TRP A 61 -2.689 -12.448 2.413 1.00 0.00 C ATOM 0 H TRP A 61 2.225 -7.317 5.091 1.00 0.00 H new ATOM 0 HA TRP A 61 0.083 -6.113 3.757 1.00 0.00 H new ATOM 0 HB2 TRP A 61 1.052 -8.191 3.006 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.730 -8.976 4.540 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.095 -6.901 3.002 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.988 -8.464 2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.308 -11.370 3.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -4.363 -11.233 1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.886 -13.443 3.024 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.188 -13.371 2.157 1.00 0.00 H new ATOM 666 N LYS A 62 -1.820 -5.896 5.290 1.00 0.00 N ATOM 667 CA LYS A 62 -2.986 -5.751 6.160 1.00 0.00 C ATOM 668 C LYS A 62 -4.261 -5.610 5.326 1.00 0.00 C ATOM 669 O LYS A 62 -4.217 -5.204 4.165 1.00 0.00 O ATOM 670 CB LYS A 62 -2.815 -4.536 7.066 1.00 0.00 C ATOM 671 CG LYS A 62 -3.862 -4.444 8.172 1.00 0.00 C ATOM 672 CD LYS A 62 -4.935 -3.422 7.826 1.00 0.00 C ATOM 673 CE LYS A 62 -5.943 -3.277 8.955 1.00 0.00 C ATOM 674 NZ LYS A 62 -6.871 -2.135 8.727 1.00 0.00 N ATOM 0 H LYS A 62 -1.773 -5.220 4.527 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.072 -6.645 6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.824 -4.567 7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.860 -3.632 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.321 -5.421 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.381 -4.168 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.470 -2.457 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.449 -3.725 6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.518 -4.198 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.415 -3.133 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.726 -2.262 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.401 -1.247 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.135 -2.098 7.722 1.00 0.00 H new ATOM 688 N VAL A 63 -5.397 -5.943 5.931 1.00 0.00 N ATOM 689 CA VAL A 63 -6.681 -5.848 5.247 1.00 0.00 C ATOM 690 C VAL A 63 -7.357 -4.513 5.542 1.00 0.00 C ATOM 691 O VAL A 63 -7.744 -4.239 6.678 1.00 0.00 O ATOM 692 CB VAL A 63 -7.625 -6.993 5.668 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.878 -6.989 4.799 1.00 0.00 C ATOM 694 CG2 VAL A 63 -6.910 -8.332 5.569 1.00 0.00 C ATOM 0 H VAL A 63 -5.454 -6.280 6.892 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.482 -5.926 4.178 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.922 -6.838 6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.536 -7.802 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.398 -6.038 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.597 -7.125 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.589 -9.130 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.588 -8.497 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.040 -8.329 6.226 1.00 0.00 H new ATOM 704 N LEU A 64 -7.493 -3.684 4.520 1.00 0.00 N ATOM 705 CA LEU A 64 -8.118 -2.375 4.661 1.00 0.00 C ATOM 706 C LEU A 64 -9.612 -2.444 4.363 1.00 0.00 C ATOM 707 O LEU A 64 -10.034 -3.076 3.395 1.00 0.00 O ATOM 708 CB LEU A 64 -7.449 -1.358 3.734 1.00 0.00 C ATOM 709 CG LEU A 64 -6.187 -0.702 4.304 1.00 0.00 C ATOM 710 CD1 LEU A 64 -6.487 -0.014 5.619 1.00 0.00 C ATOM 711 CD2 LEU A 64 -5.078 -1.733 4.466 1.00 0.00 C ATOM 0 H LEU A 64 -7.176 -3.896 3.574 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.987 -2.054 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.192 -1.854 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.170 -0.577 3.493 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.845 0.057 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.577 0.445 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.243 0.755 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.857 -0.746 6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.189 -1.250 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.408 -2.518 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.843 -2.170 3.495 1.00 0.00 H new ATOM 723 N SER A 65 -10.407 -1.787 5.202 1.00 0.00 N ATOM 724 CA SER A 65 -11.854 -1.770 5.029 1.00 0.00 C ATOM 725 C SER A 65 -12.391 -0.342 5.112 1.00 0.00 C ATOM 726 O SER A 65 -11.831 0.504 5.808 1.00 0.00 O ATOM 727 CB SER A 65 -12.527 -2.638 6.095 1.00 0.00 C ATOM 728 OG SER A 65 -12.818 -3.930 5.600 1.00 0.00 O ATOM 0 H SER A 65 -10.073 -1.259 6.008 1.00 0.00 H new ATOM 0 HA SER A 65 -12.083 -2.174 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.876 -2.718 6.965 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.447 -2.159 6.429 1.00 0.00 H new ATOM 0 HG SER A 65 -13.246 -4.461 6.304 1.00 0.00 H new ATOM 734 N PRO A 66 -13.490 -0.056 4.392 1.00 0.00 N ATOM 735 CA PRO A 66 -14.101 1.278 4.374 1.00 0.00 C ATOM 736 C PRO A 66 -14.726 1.646 5.717 1.00 0.00 C ATOM 737 O PRO A 66 -15.088 2.800 5.946 1.00 0.00 O ATOM 738 CB PRO A 66 -15.180 1.169 3.294 1.00 0.00 C ATOM 739 CG PRO A 66 -15.503 -0.284 3.232 1.00 0.00 C ATOM 740 CD PRO A 66 -14.221 -1.007 3.527 1.00 0.00 C ATOM 0 HA PRO A 66 -13.365 2.057 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -16.059 1.760 3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.818 1.536 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.273 -0.544 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.887 -0.557 2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.401 -1.956 4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.666 -1.232 2.616 1.00 0.00 H new ATOM 748 N GLN A 67 -14.850 0.661 6.601 1.00 0.00 N ATOM 749 CA GLN A 67 -15.431 0.888 7.919 1.00 0.00 C ATOM 750 C GLN A 67 -14.767 -0.001 8.967 1.00 0.00 C ATOM 751 O GLN A 67 -15.345 -0.994 9.410 1.00 0.00 O ATOM 752 CB GLN A 67 -16.938 0.622 7.887 1.00 0.00 C ATOM 753 CG GLN A 67 -17.718 1.416 8.922 1.00 0.00 C ATOM 754 CD GLN A 67 -19.091 0.832 9.190 1.00 0.00 C ATOM 755 OE1 GLN A 67 -19.487 0.649 10.341 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.826 0.536 8.132 1.00 0.00 N ATOM 0 H GLN A 67 -14.556 -0.301 6.429 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.258 1.929 8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.320 0.861 6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.114 -0.441 8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.152 1.447 9.853 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.825 2.445 8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.461 0.703 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.758 0.141 8.253 1.00 0.00 H new ATOM 765 N GLY A 68 -13.550 0.363 9.368 1.00 0.00 N ATOM 766 CA GLY A 68 -12.829 -0.412 10.360 1.00 0.00 C ATOM 767 C GLY A 68 -11.325 -0.300 10.204 1.00 0.00 C ATOM 768 O GLY A 68 -10.833 0.141 9.157 1.00 0.00 O ATOM 0 H GLY A 68 -13.052 1.183 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.114 -0.075 11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.122 -1.459 10.282 1.00 0.00 H new ATOM 772 N GLY A 69 -10.592 -0.700 11.230 1.00 0.00 N ATOM 773 CA GLY A 69 -9.143 -0.635 11.183 1.00 0.00 C ATOM 774 C GLY A 69 -8.486 -1.817 11.869 1.00 0.00 C ATOM 775 O GLY A 69 -9.140 -2.560 12.601 1.00 0.00 O ATOM 0 H GLY A 69 -10.975 -1.071 12.100 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.818 -0.596 10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.808 0.288 11.657 1.00 0.00 H new ATOM 779 N GLY A 70 -7.190 -1.992 11.631 1.00 0.00 N ATOM 780 CA GLY A 70 -6.466 -3.094 12.238 1.00 0.00 C ATOM 781 C GLY A 70 -5.125 -2.667 12.806 1.00 0.00 C ATOM 782 O GLY A 70 -4.966 -1.523 13.231 1.00 0.00 O ATOM 0 H GLY A 70 -6.628 -1.390 11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.072 -3.528 13.033 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.310 -3.875 11.494 1.00 0.00 H new ATOM 786 N PRO A 71 -4.132 -3.574 12.836 1.00 0.00 N ATOM 787 CA PRO A 71 -2.797 -3.271 13.355 1.00 0.00 C ATOM 788 C PRO A 71 -2.025 -2.309 12.458 1.00 0.00 C ATOM 789 O PRO A 71 -1.439 -1.336 12.934 1.00 0.00 O ATOM 790 CB PRO A 71 -2.110 -4.637 13.400 1.00 0.00 C ATOM 791 CG PRO A 71 -2.809 -5.443 12.360 1.00 0.00 C ATOM 792 CD PRO A 71 -4.234 -4.964 12.352 1.00 0.00 C ATOM 0 HA PRO A 71 -2.843 -2.773 14.324 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.045 -4.552 13.186 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.202 -5.095 14.385 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.346 -5.305 11.383 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.756 -6.507 12.590 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.668 -5.011 11.353 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.865 -5.570 13.002 1.00 0.00 H new ATOM 800 N TRP A 72 -2.028 -2.586 11.158 1.00 0.00 N ATOM 801 CA TRP A 72 -1.326 -1.743 10.204 1.00 0.00 C ATOM 802 C TRP A 72 -1.849 -0.309 10.238 1.00 0.00 C ATOM 803 O TRP A 72 -1.163 0.623 9.817 1.00 0.00 O ATOM 804 CB TRP A 72 -1.472 -2.315 8.792 1.00 0.00 C ATOM 805 CG TRP A 72 -0.762 -1.510 7.738 1.00 0.00 C ATOM 806 CD1 TRP A 72 0.587 -1.361 7.595 1.00 0.00 C ATOM 807 CD2 TRP A 72 -1.364 -0.741 6.689 1.00 0.00 C ATOM 808 NE1 TRP A 72 0.861 -0.549 6.521 1.00 0.00 N ATOM 809 CE2 TRP A 72 -0.320 -0.155 5.949 1.00 0.00 C ATOM 810 CE3 TRP A 72 -2.685 -0.493 6.312 1.00 0.00 C ATOM 811 CZ2 TRP A 72 -0.556 0.663 4.847 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -2.918 0.320 5.210 1.00 0.00 C ATOM 813 CH2 TRP A 72 -1.858 0.889 4.500 1.00 0.00 C ATOM 0 H TRP A 72 -2.508 -3.386 10.745 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.273 -1.727 10.483 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -1.085 -3.334 8.780 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.531 -2.373 8.541 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.331 -1.815 8.233 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.792 -0.283 6.201 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.507 -0.923 6.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.258 1.101 4.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.933 0.515 4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.074 1.525 3.654 1.00 0.00 H new ATOM 824 N ASP A 73 -3.065 -0.135 10.760 1.00 0.00 N ATOM 825 CA ASP A 73 -3.672 1.188 10.849 1.00 0.00 C ATOM 826 C ASP A 73 -2.782 2.137 11.645 1.00 0.00 C ATOM 827 O ASP A 73 -2.723 3.334 11.362 1.00 0.00 O ATOM 828 CB ASP A 73 -5.050 1.093 11.506 1.00 0.00 C ATOM 829 CG ASP A 73 -5.852 2.370 11.353 1.00 0.00 C ATOM 830 OD1 ASP A 73 -6.468 2.560 10.283 1.00 0.00 O ATOM 831 OD2 ASP A 73 -5.866 3.180 12.312 1.00 0.00 O ATOM 0 H ASP A 73 -3.644 -0.892 11.125 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.784 1.582 9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.604 0.264 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.930 0.867 12.566 1.00 0.00 H new ATOM 836 N SER A 74 -2.090 1.594 12.641 1.00 0.00 N ATOM 837 CA SER A 74 -1.201 2.390 13.478 1.00 0.00 C ATOM 838 C SER A 74 0.136 2.630 12.792 1.00 0.00 C ATOM 839 O SER A 74 0.836 3.599 13.079 1.00 0.00 O ATOM 840 CB SER A 74 -0.975 1.696 14.823 1.00 0.00 C ATOM 841 OG SER A 74 -0.884 2.639 15.884 1.00 0.00 O ATOM 0 H SER A 74 -2.128 0.605 12.888 1.00 0.00 H new ATOM 0 HA SER A 74 -1.678 3.355 13.646 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.793 1.003 15.019 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.060 1.105 14.780 1.00 0.00 H new ATOM 0 HG SER A 74 -0.741 2.166 16.731 1.00 0.00 H new ATOM 847 N VAL A 75 0.482 1.742 11.868 1.00 0.00 N ATOM 848 CA VAL A 75 1.732 1.854 11.119 1.00 0.00 C ATOM 849 C VAL A 75 1.575 2.782 9.919 1.00 0.00 C ATOM 850 O VAL A 75 2.514 3.474 9.536 1.00 0.00 O ATOM 851 CB VAL A 75 2.219 0.478 10.630 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.618 0.583 10.043 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.183 -0.536 11.763 1.00 0.00 C ATOM 0 H VAL A 75 -0.086 0.933 11.617 1.00 0.00 H new ATOM 0 HA VAL A 75 2.472 2.271 11.802 1.00 0.00 H new ATOM 0 HB VAL A 75 1.546 0.134 9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.945 -0.400 9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.608 1.274 9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.306 0.950 10.805 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.531 -1.502 11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.830 -0.200 12.573 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.162 -0.634 12.132 1.00 0.00 H new ATOM 863 N ALA A 76 0.379 2.789 9.348 1.00 0.00 N ATOM 864 CA ALA A 76 0.091 3.631 8.185 1.00 0.00 C ATOM 865 C ALA A 76 -1.412 3.790 7.989 1.00 0.00 C ATOM 866 O ALA A 76 -2.179 2.853 8.220 1.00 0.00 O ATOM 867 CB ALA A 76 0.733 3.049 6.934 1.00 0.00 C ATOM 0 H ALA A 76 -0.409 2.225 9.666 1.00 0.00 H new ATOM 0 HA ALA A 76 0.516 4.618 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.509 3.687 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.813 2.993 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.338 2.049 6.754 1.00 0.00 H new ATOM 873 N ARG A 77 -1.830 4.981 7.573 1.00 0.00 N ATOM 874 CA ARG A 77 -3.246 5.257 7.360 1.00 0.00 C ATOM 875 C ARG A 77 -3.500 5.708 5.918 1.00 0.00 C ATOM 876 O ARG A 77 -2.572 6.066 5.193 1.00 0.00 O ATOM 877 CB ARG A 77 -3.737 6.326 8.330 1.00 0.00 C ATOM 878 CG ARG A 77 -3.838 5.837 9.768 1.00 0.00 C ATOM 879 CD ARG A 77 -5.277 5.528 10.132 1.00 0.00 C ATOM 880 NE ARG A 77 -6.140 6.700 9.989 1.00 0.00 N ATOM 881 CZ ARG A 77 -6.222 7.669 10.898 1.00 0.00 C ATOM 882 NH1 ARG A 77 -5.494 7.613 12.006 1.00 0.00 N ATOM 883 NH2 ARG A 77 -7.033 8.699 10.697 1.00 0.00 N ATOM 0 H ARG A 77 -1.211 5.768 7.377 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.798 4.335 7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.060 7.180 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.715 6.680 8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.226 4.944 9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.442 6.595 10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.648 4.724 9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.322 5.167 11.160 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.710 6.779 9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.867 6.824 12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.561 8.359 12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.594 8.748 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.096 9.442 11.393 1.00 0.00 H new ATOM 897 N VAL A 78 -4.767 5.689 5.517 1.00 0.00 N ATOM 898 CA VAL A 78 -5.151 6.096 4.170 1.00 0.00 C ATOM 899 C VAL A 78 -5.926 7.410 4.204 1.00 0.00 C ATOM 900 O VAL A 78 -6.906 7.549 4.936 1.00 0.00 O ATOM 901 CB VAL A 78 -6.011 5.018 3.482 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.273 5.386 2.029 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.340 3.657 3.581 1.00 0.00 C ATOM 0 H VAL A 78 -5.546 5.396 6.106 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.233 6.230 3.599 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.971 4.964 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.882 4.612 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.801 6.339 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.325 5.471 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.962 2.908 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.365 3.696 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.211 3.390 4.630 1.00 0.00 H new ATOM 913 N LEU A 79 -5.479 8.371 3.395 1.00 0.00 N ATOM 914 CA LEU A 79 -6.132 9.674 3.329 1.00 0.00 C ATOM 915 C LEU A 79 -7.477 9.573 2.614 1.00 0.00 C ATOM 916 O LEU A 79 -7.667 8.715 1.751 1.00 0.00 O ATOM 917 CB LEU A 79 -5.234 10.685 2.613 1.00 0.00 C ATOM 918 CG LEU A 79 -3.996 11.121 3.408 1.00 0.00 C ATOM 919 CD1 LEU A 79 -4.401 11.851 4.671 1.00 0.00 C ATOM 920 CD2 LEU A 79 -3.123 9.920 3.730 1.00 0.00 C ATOM 0 H LEU A 79 -4.671 8.271 2.780 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.308 10.016 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.908 10.254 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.825 11.569 2.374 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.415 11.810 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.508 12.151 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.981 12.736 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.005 11.192 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.249 10.246 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.692 9.205 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.800 9.446 2.803 1.00 0.00 H new ATOM 932 N PRO A 80 -8.433 10.452 2.966 1.00 0.00 N ATOM 933 CA PRO A 80 -9.767 10.459 2.364 1.00 0.00 C ATOM 934 C PRO A 80 -9.716 10.439 0.840 1.00 0.00 C ATOM 935 O PRO A 80 -10.656 9.988 0.177 1.00 0.00 O ATOM 936 CB PRO A 80 -10.375 11.771 2.860 1.00 0.00 C ATOM 937 CG PRO A 80 -9.684 12.042 4.143 1.00 0.00 C ATOM 938 CD PRO A 80 -8.287 11.507 3.996 1.00 0.00 C ATOM 0 HA PRO A 80 -10.342 9.576 2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.214 12.578 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.452 11.680 3.001 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.670 13.111 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.200 11.557 4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.590 12.283 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.910 11.103 4.935 1.00 0.00 H new ATOM 946 N ASN A 81 -8.615 10.929 0.271 1.00 0.00 N ATOM 947 CA ASN A 81 -8.448 10.964 -1.163 1.00 0.00 C ATOM 948 C ASN A 81 -7.898 9.640 -1.695 1.00 0.00 C ATOM 949 O ASN A 81 -7.594 9.521 -2.881 1.00 0.00 O ATOM 950 CB ASN A 81 -7.517 12.112 -1.568 1.00 0.00 C ATOM 951 CG ASN A 81 -6.113 11.932 -1.024 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.922 11.708 0.163 1.00 0.00 O ATOM 953 ND2 ASN A 81 -5.121 12.031 -1.894 1.00 0.00 N ATOM 0 H ASN A 81 -7.826 11.307 0.795 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.432 11.127 -1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.477 12.179 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.927 13.055 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.156 11.919 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.321 12.219 -2.876 1.00 0.00 H new ATOM 960 N GLY A 82 -7.771 8.648 -0.824 1.00 0.00 N ATOM 961 CA GLY A 82 -7.257 7.356 -1.229 1.00 0.00 C ATOM 962 C GLY A 82 -5.745 7.341 -1.318 1.00 0.00 C ATOM 963 O GLY A 82 -5.176 6.774 -2.251 1.00 0.00 O ATOM 0 H GLY A 82 -8.017 8.717 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.584 6.598 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.678 7.087 -2.198 1.00 0.00 H new ATOM 967 N SER A 83 -5.091 7.969 -0.345 1.00 0.00 N ATOM 968 CA SER A 83 -3.635 8.028 -0.318 1.00 0.00 C ATOM 969 C SER A 83 -3.075 7.140 0.780 1.00 0.00 C ATOM 970 O SER A 83 -3.805 6.368 1.400 1.00 0.00 O ATOM 971 CB SER A 83 -3.170 9.470 -0.117 1.00 0.00 C ATOM 972 OG SER A 83 -1.859 9.660 -0.622 1.00 0.00 O ATOM 0 H SER A 83 -5.547 8.444 0.434 1.00 0.00 H new ATOM 0 HA SER A 83 -3.262 7.663 -1.275 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.858 10.150 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.194 9.718 0.944 1.00 0.00 H new ATOM 0 HG SER A 83 -1.555 8.838 -1.060 1.00 0.00 H new ATOM 978 N LEU A 84 -1.773 7.255 1.015 1.00 0.00 N ATOM 979 CA LEU A 84 -1.116 6.463 2.047 1.00 0.00 C ATOM 980 C LEU A 84 0.084 7.207 2.623 1.00 0.00 C ATOM 981 O LEU A 84 0.973 7.634 1.887 1.00 0.00 O ATOM 982 CB LEU A 84 -0.673 5.112 1.477 1.00 0.00 C ATOM 983 CG LEU A 84 -1.064 3.897 2.322 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.586 2.775 1.437 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.120 3.420 3.149 1.00 0.00 C ATOM 0 H LEU A 84 -1.154 7.887 0.507 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.832 6.292 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.101 4.996 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.411 5.121 1.360 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.861 4.194 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.859 1.920 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.463 3.121 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.811 2.479 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.176 2.556 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.938 3.141 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.447 4.221 3.812 1.00 0.00 H new ATOM 997 N PHE A 85 0.101 7.360 3.943 1.00 0.00 N ATOM 998 CA PHE A 85 1.191 8.054 4.619 1.00 0.00 C ATOM 999 C PHE A 85 1.745 7.211 5.763 1.00 0.00 C ATOM 1000 O PHE A 85 0.990 6.647 6.564 1.00 0.00 O ATOM 1001 CB PHE A 85 0.708 9.408 5.156 1.00 0.00 C ATOM 1002 CG PHE A 85 1.739 10.147 5.964 1.00 0.00 C ATOM 1003 CD1 PHE A 85 3.061 10.193 5.543 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.383 10.796 7.136 1.00 0.00 C ATOM 1005 CE1 PHE A 85 4.009 10.872 6.285 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.328 11.476 7.873 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.642 11.514 7.451 1.00 0.00 C ATOM 0 H PHE A 85 -0.628 7.013 4.566 1.00 0.00 H new ATOM 0 HA PHE A 85 1.987 8.221 3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.403 10.033 4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.176 9.248 5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.351 9.695 4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.358 10.768 7.474 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.036 10.900 5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.040 11.981 8.783 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.382 12.045 8.032 1.00 0.00 H new ATOM 1017 N LEU A 86 3.070 7.132 5.843 1.00 0.00 N ATOM 1018 CA LEU A 86 3.730 6.361 6.890 1.00 0.00 C ATOM 1019 C LEU A 86 4.569 7.273 7.786 1.00 0.00 C ATOM 1020 O LEU A 86 5.392 8.046 7.304 1.00 0.00 O ATOM 1021 CB LEU A 86 4.614 5.276 6.269 1.00 0.00 C ATOM 1022 CG LEU A 86 4.204 3.839 6.601 1.00 0.00 C ATOM 1023 CD1 LEU A 86 4.310 2.953 5.369 1.00 0.00 C ATOM 1024 CD2 LEU A 86 5.061 3.287 7.731 1.00 0.00 C ATOM 0 H LEU A 86 3.708 7.593 5.194 1.00 0.00 H new ATOM 0 HA LEU A 86 2.963 5.887 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.607 5.399 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.641 5.431 6.601 1.00 0.00 H new ATOM 0 HG LEU A 86 3.165 3.846 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.014 1.936 5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.653 3.336 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.339 2.952 5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.755 2.265 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.109 3.295 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.934 3.905 8.620 1.00 0.00 H new ATOM 1036 N PRO A 87 4.375 7.198 9.124 1.00 0.00 N ATOM 1037 CA PRO A 87 5.124 8.025 10.076 1.00 0.00 C ATOM 1038 C PRO A 87 6.632 7.885 9.900 1.00 0.00 C ATOM 1039 O PRO A 87 7.381 8.845 10.074 1.00 0.00 O ATOM 1040 CB PRO A 87 4.694 7.483 11.434 1.00 0.00 C ATOM 1041 CG PRO A 87 3.366 6.855 11.194 1.00 0.00 C ATOM 1042 CD PRO A 87 3.416 6.307 9.804 1.00 0.00 C ATOM 0 HA PRO A 87 4.918 9.087 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.412 6.756 11.814 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.626 8.281 12.174 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.171 6.064 11.919 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.564 7.586 11.297 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.752 5.270 9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.436 6.330 9.327 1.00 0.00 H new ATOM 1050 N ALA A 88 7.070 6.682 9.544 1.00 0.00 N ATOM 1051 CA ALA A 88 8.488 6.414 9.335 1.00 0.00 C ATOM 1052 C ALA A 88 8.699 5.074 8.648 1.00 0.00 C ATOM 1053 O ALA A 88 8.553 4.016 9.260 1.00 0.00 O ATOM 1054 CB ALA A 88 9.223 6.445 10.676 1.00 0.00 C ATOM 0 H ALA A 88 6.463 5.876 9.394 1.00 0.00 H new ATOM 0 HA ALA A 88 8.892 7.189 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.282 6.244 10.515 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.105 7.428 11.133 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.806 5.685 11.337 1.00 0.00 H new ATOM 1060 N VAL A 89 9.044 5.126 7.357 1.00 0.00 N ATOM 1061 CA VAL A 89 9.276 3.916 6.578 1.00 0.00 C ATOM 1062 C VAL A 89 10.621 3.291 6.929 1.00 0.00 C ATOM 1063 O VAL A 89 11.670 3.897 6.724 1.00 0.00 O ATOM 1064 CB VAL A 89 9.235 4.206 5.066 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.307 2.913 4.269 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.983 4.993 4.716 1.00 0.00 C ATOM 0 H VAL A 89 9.167 5.994 6.835 1.00 0.00 H new ATOM 0 HA VAL A 89 8.477 3.218 6.827 1.00 0.00 H new ATOM 0 HB VAL A 89 10.104 4.809 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.277 3.140 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.236 2.393 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.460 2.278 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.966 5.192 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.101 4.415 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.983 5.937 5.260 1.00 0.00 H new ATOM 1076 N GLY A 90 10.584 2.077 7.469 1.00 0.00 N ATOM 1077 CA GLY A 90 11.810 1.393 7.841 1.00 0.00 C ATOM 1078 C GLY A 90 12.076 0.168 6.989 1.00 0.00 C ATOM 1079 O GLY A 90 11.535 0.038 5.890 1.00 0.00 O ATOM 0 H GLY A 90 9.728 1.555 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.649 2.083 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.753 1.097 8.888 1.00 0.00 H new ATOM 1083 N ILE A 91 12.911 -0.733 7.504 1.00 0.00 N ATOM 1084 CA ILE A 91 13.250 -1.955 6.775 1.00 0.00 C ATOM 1085 C ILE A 91 12.031 -2.856 6.618 1.00 0.00 C ATOM 1086 O ILE A 91 11.891 -3.559 5.618 1.00 0.00 O ATOM 1087 CB ILE A 91 14.367 -2.741 7.490 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.058 -2.873 8.992 1.00 0.00 C ATOM 1089 CG2 ILE A 91 15.711 -2.062 7.277 1.00 0.00 C ATOM 1090 CD1 ILE A 91 13.957 -4.308 9.454 1.00 0.00 C ATOM 0 H ILE A 91 13.362 -0.642 8.414 1.00 0.00 H new ATOM 0 HA ILE A 91 13.602 -1.650 5.790 1.00 0.00 H new ATOM 0 HB ILE A 91 14.415 -3.742 7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.838 -2.368 9.563 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.121 -2.361 9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.490 -2.628 7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.933 -2.020 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.675 -1.050 7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.738 -4.332 10.521 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.159 -4.811 8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.902 -4.818 9.266 1.00 0.00 H new ATOM 1102 N GLN A 92 11.149 -2.829 7.620 1.00 0.00 N ATOM 1103 CA GLN A 92 9.940 -3.642 7.581 1.00 0.00 C ATOM 1104 C GLN A 92 9.014 -3.193 6.464 1.00 0.00 C ATOM 1105 O GLN A 92 8.274 -3.996 5.889 1.00 0.00 O ATOM 1106 CB GLN A 92 9.210 -3.559 8.923 1.00 0.00 C ATOM 1107 CG GLN A 92 10.083 -3.924 10.113 1.00 0.00 C ATOM 1108 CD GLN A 92 10.527 -2.709 10.912 1.00 0.00 C ATOM 1109 OE1 GLN A 92 11.713 -2.382 10.956 1.00 0.00 O ATOM 1110 NE2 GLN A 92 9.575 -2.033 11.544 1.00 0.00 N ATOM 0 H GLN A 92 11.251 -2.258 8.459 1.00 0.00 H new ATOM 0 HA GLN A 92 10.233 -4.674 7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.830 -2.546 9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.346 -4.223 8.899 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.534 -4.602 10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.963 -4.463 9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.604 -2.339 11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.814 -1.207 12.093 1.00 0.00 H new ATOM 1119 N ASP A 93 9.064 -1.903 6.138 1.00 0.00 N ATOM 1120 CA ASP A 93 8.232 -1.344 5.079 1.00 0.00 C ATOM 1121 C ASP A 93 8.790 -1.689 3.708 1.00 0.00 C ATOM 1122 O ASP A 93 8.083 -1.594 2.704 1.00 0.00 O ATOM 1123 CB ASP A 93 8.127 0.174 5.234 1.00 0.00 C ATOM 1124 CG ASP A 93 6.966 0.587 6.124 1.00 0.00 C ATOM 1125 OD1 ASP A 93 5.838 0.108 5.875 1.00 0.00 O ATOM 1126 OD2 ASP A 93 7.184 1.388 7.049 1.00 0.00 O ATOM 0 H ASP A 93 9.674 -1.225 6.594 1.00 0.00 H new ATOM 0 HA ASP A 93 7.237 -1.781 5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.057 0.559 5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.007 0.629 4.251 1.00 0.00 H new ATOM 1131 N GLU A 94 10.060 -2.087 3.653 1.00 0.00 N ATOM 1132 CA GLU A 94 10.707 -2.443 2.393 1.00 0.00 C ATOM 1133 C GLU A 94 9.868 -3.447 1.606 1.00 0.00 C ATOM 1134 O GLU A 94 8.808 -3.879 2.068 1.00 0.00 O ATOM 1135 CB GLU A 94 12.097 -3.024 2.654 1.00 0.00 C ATOM 1136 CG GLU A 94 13.103 -1.996 3.145 1.00 0.00 C ATOM 1137 CD GLU A 94 14.444 -2.615 3.489 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.535 -3.291 4.544 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.402 -2.425 2.720 1.00 0.00 O ATOM 0 H GLU A 94 10.663 -2.171 4.471 1.00 0.00 H new ATOM 0 HA GLU A 94 10.803 -1.534 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.016 -3.822 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.471 -3.476 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.244 -1.235 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.703 -1.492 4.025 1.00 0.00 H new ATOM 1146 N GLY A 95 10.349 -3.810 0.423 1.00 0.00 N ATOM 1147 CA GLY A 95 9.632 -4.756 -0.395 1.00 0.00 C ATOM 1148 C GLY A 95 8.830 -4.072 -1.483 1.00 0.00 C ATOM 1149 O GLY A 95 9.181 -2.979 -1.936 1.00 0.00 O ATOM 0 H GLY A 95 11.220 -3.465 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.338 -5.452 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.963 -5.344 0.233 1.00 0.00 H new ATOM 1153 N ILE A 96 7.749 -4.713 -1.913 1.00 0.00 N ATOM 1154 CA ILE A 96 6.896 -4.156 -2.964 1.00 0.00 C ATOM 1155 C ILE A 96 5.443 -4.090 -2.499 1.00 0.00 C ATOM 1156 O ILE A 96 4.898 -5.066 -1.992 1.00 0.00 O ATOM 1157 CB ILE A 96 6.975 -4.983 -4.253 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.434 -5.278 -4.609 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.283 -4.249 -5.400 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.894 -6.654 -4.188 1.00 0.00 C ATOM 0 H ILE A 96 7.441 -5.616 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 96 7.260 -3.150 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 96 6.461 -5.930 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.564 -5.175 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.072 -4.531 -4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.348 -4.849 -6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.235 -4.085 -5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.771 -3.288 -5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.937 -6.792 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.797 -6.755 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.281 -7.409 -4.680 1.00 0.00 H new ATOM 1172 N PHE A 97 4.820 -2.932 -2.693 1.00 0.00 N ATOM 1173 CA PHE A 97 3.428 -2.739 -2.303 1.00 0.00 C ATOM 1174 C PHE A 97 2.507 -2.890 -3.516 1.00 0.00 C ATOM 1175 O PHE A 97 2.904 -2.622 -4.641 1.00 0.00 O ATOM 1176 CB PHE A 97 3.240 -1.358 -1.671 1.00 0.00 C ATOM 1177 CG PHE A 97 3.866 -1.230 -0.311 1.00 0.00 C ATOM 1178 CD1 PHE A 97 3.712 -2.231 0.618 1.00 0.00 C ATOM 1179 CD2 PHE A 97 4.607 -0.107 0.005 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.287 -2.115 1.870 1.00 0.00 C ATOM 1181 CE2 PHE A 97 5.184 0.014 1.255 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.023 -0.991 2.189 1.00 0.00 C ATOM 0 H PHE A 97 5.257 -2.114 -3.118 1.00 0.00 H new ATOM 0 HA PHE A 97 3.167 -3.501 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.668 -0.604 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.174 -1.145 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.139 -3.112 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.735 0.677 -0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.161 -2.903 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 97 5.760 0.894 1.501 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.472 -0.898 3.167 1.00 0.00 H new ATOM 1192 N ARG A 98 1.277 -3.327 -3.258 1.00 0.00 N ATOM 1193 CA ARG A 98 0.307 -3.517 -4.329 1.00 0.00 C ATOM 1194 C ARG A 98 -1.102 -3.157 -3.869 1.00 0.00 C ATOM 1195 O ARG A 98 -1.487 -3.435 -2.733 1.00 0.00 O ATOM 1196 CB ARG A 98 0.340 -4.965 -4.821 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.257 -5.151 -6.206 1.00 0.00 C ATOM 1198 CD ARG A 98 -0.724 -6.582 -6.423 1.00 0.00 C ATOM 1199 NE ARG A 98 -0.652 -6.973 -7.829 1.00 0.00 N ATOM 1200 CZ ARG A 98 -0.651 -8.237 -8.256 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -0.720 -9.233 -7.373 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -0.583 -8.505 -9.552 1.00 0.00 N ATOM 0 H ARG A 98 0.932 -3.554 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 98 0.578 -2.852 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.373 -5.313 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.202 -5.593 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.097 -4.469 -6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.485 -4.890 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.111 -7.258 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.750 -6.686 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.599 -6.233 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.773 -9.027 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.720 -10.201 -7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.531 -7.743 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.583 -9.473 -9.873 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.869 -2.542 -4.765 1.00 0.00 N ATOM 1217 CA CYS A 99 -3.239 -2.148 -4.468 1.00 0.00 C ATOM 1218 C CYS A 99 -4.230 -3.058 -5.177 1.00 0.00 C ATOM 1219 O CYS A 99 -3.915 -3.636 -6.217 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.475 -0.692 -4.867 1.00 0.00 C ATOM 1221 SG CYS A 99 -3.108 0.517 -3.554 1.00 0.00 S ATOM 0 H CYS A 99 -1.560 -2.305 -5.708 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.394 -2.245 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.861 -0.462 -5.738 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.515 -0.575 -5.171 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.428 -3.185 -4.624 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.458 -4.029 -5.216 1.00 0.00 C ATOM 1228 C GLN A 100 -7.846 -3.623 -4.725 1.00 0.00 C ATOM 1229 O GLN A 100 -8.009 -3.130 -3.616 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.198 -5.498 -4.869 1.00 0.00 C ATOM 1231 CG GLN A 100 -7.100 -6.464 -5.619 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.337 -7.627 -6.223 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -6.479 -8.770 -5.789 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -5.521 -7.340 -7.231 1.00 0.00 N ATOM 0 H GLN A 100 -5.712 -2.714 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.421 -3.900 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.158 -5.737 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.337 -5.641 -3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.860 -6.848 -4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.622 -5.927 -6.411 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.434 -6.378 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.981 -8.082 -7.677 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.844 -3.838 -5.575 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.222 -3.501 -5.242 1.00 0.00 C ATOM 1245 C ALA A 101 -11.162 -4.645 -5.603 1.00 0.00 C ATOM 1246 O ALA A 101 -10.821 -5.508 -6.420 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.642 -2.226 -5.958 1.00 0.00 C ATOM 0 H ALA A 101 -8.723 -4.245 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.283 -3.336 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.674 -1.987 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.992 -1.406 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.562 -2.370 -7.035 1.00 0.00 H new ATOM 1253 N MET A 102 -12.345 -4.650 -4.999 1.00 0.00 N ATOM 1254 CA MET A 102 -13.328 -5.693 -5.263 1.00 0.00 C ATOM 1255 C MET A 102 -14.705 -5.093 -5.527 1.00 0.00 C ATOM 1256 O MET A 102 -15.324 -4.519 -4.631 1.00 0.00 O ATOM 1257 CB MET A 102 -13.400 -6.664 -4.083 1.00 0.00 C ATOM 1258 CG MET A 102 -14.358 -7.822 -4.307 1.00 0.00 C ATOM 1259 SD MET A 102 -13.900 -9.293 -3.370 1.00 0.00 S ATOM 1260 CE MET A 102 -15.101 -10.472 -3.992 1.00 0.00 C ATOM 0 H MET A 102 -12.646 -3.946 -4.325 1.00 0.00 H new ATOM 0 HA MET A 102 -13.013 -6.236 -6.154 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.403 -7.060 -3.888 1.00 0.00 H new ATOM 0 HB3 MET A 102 -13.706 -6.117 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.365 -7.515 -4.025 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.385 -8.066 -5.369 1.00 0.00 H new ATOM 0 HE1 MET A 102 -14.949 -11.436 -3.507 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.108 -10.113 -3.778 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.977 -10.584 -5.069 1.00 0.00 H new ATOM 1270 N ASN A 103 -15.179 -5.233 -6.768 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.484 -4.707 -7.141 1.00 0.00 C ATOM 1272 C ASN A 103 -17.537 -5.811 -7.125 1.00 0.00 C ATOM 1273 O ASN A 103 -17.267 -6.933 -6.699 1.00 0.00 O ATOM 1274 CB ASN A 103 -16.415 -4.067 -8.529 1.00 0.00 C ATOM 1275 CG ASN A 103 -17.140 -2.736 -8.587 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -16.662 -1.732 -8.059 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -18.301 -2.723 -9.231 1.00 0.00 N ATOM 0 H ASN A 103 -14.679 -5.703 -7.523 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.770 -3.949 -6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -15.371 -3.922 -8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.849 -4.747 -9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -18.835 -1.857 -9.303 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -18.659 -3.579 -9.654 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.737 -5.484 -7.593 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.830 -6.449 -7.640 1.00 0.00 C ATOM 1286 C ARG A 104 -19.528 -7.573 -8.628 1.00 0.00 C ATOM 1287 O ARG A 104 -19.962 -8.709 -8.433 1.00 0.00 O ATOM 1288 CB ARG A 104 -21.140 -5.754 -8.011 1.00 0.00 C ATOM 1289 CG ARG A 104 -22.096 -5.584 -6.842 1.00 0.00 C ATOM 1290 CD ARG A 104 -23.470 -5.129 -7.307 1.00 0.00 C ATOM 1291 NE ARG A 104 -24.149 -4.320 -6.298 1.00 0.00 N ATOM 1292 CZ ARG A 104 -23.807 -3.069 -5.999 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -22.798 -2.480 -6.629 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -24.477 -2.404 -5.067 1.00 0.00 N ATOM 0 H ARG A 104 -18.978 -4.558 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.934 -6.888 -6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.914 -4.773 -8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.636 -6.328 -8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -22.187 -6.528 -6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -21.689 -4.856 -6.141 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -23.369 -4.552 -8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -24.080 -6.001 -7.543 1.00 0.00 H new ATOM 0 HE ARG A 104 -24.931 -4.738 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -22.280 -2.986 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -22.541 -1.521 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -25.254 -2.851 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -24.216 -1.445 -4.837 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.782 -7.247 -9.670 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.422 -8.230 -10.686 1.00 0.00 C ATOM 1310 C ASN A 105 -17.072 -8.871 -10.378 1.00 0.00 C ATOM 1311 O ASN A 105 -16.775 -9.970 -10.856 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.383 -7.574 -12.076 1.00 0.00 C ATOM 1313 CG ASN A 105 -19.721 -6.981 -12.465 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -20.740 -7.235 -11.823 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -19.723 -6.185 -13.536 1.00 0.00 N ATOM 0 H ASN A 105 -18.413 -6.311 -9.837 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.183 -9.010 -10.679 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.624 -6.792 -12.086 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.086 -8.315 -12.818 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -20.594 -5.759 -13.853 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.854 -6.003 -14.037 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.256 -8.180 -9.587 1.00 0.00 N ATOM 1323 CA GLY A 106 -14.949 -8.701 -9.234 1.00 0.00 C ATOM 1324 C GLY A 106 -13.824 -7.954 -9.923 1.00 0.00 C ATOM 1325 O GLY A 106 -12.885 -8.564 -10.434 1.00 0.00 O ATOM 0 H GLY A 106 -16.477 -7.269 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.815 -8.638 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.897 -9.757 -9.501 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.920 -6.628 -9.944 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.904 -5.794 -10.567 1.00 0.00 C ATOM 1331 C LYS A 107 -11.784 -5.464 -9.585 1.00 0.00 C ATOM 1332 O LYS A 107 -12.034 -4.963 -8.489 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.535 -4.504 -11.098 1.00 0.00 C ATOM 1334 CG LYS A 107 -12.523 -3.492 -11.611 1.00 0.00 C ATOM 1335 CD LYS A 107 -13.200 -2.355 -12.358 1.00 0.00 C ATOM 1336 CE LYS A 107 -12.196 -1.534 -13.151 1.00 0.00 C ATOM 1337 NZ LYS A 107 -12.857 -0.706 -14.198 1.00 0.00 N ATOM 0 H LYS A 107 -14.696 -6.108 -9.534 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.472 -6.351 -11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.226 -4.753 -11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.124 -4.045 -10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.953 -3.090 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.812 -3.989 -12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.954 -2.760 -13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.719 -1.711 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.641 -0.886 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.472 -2.200 -13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.138 -0.162 -14.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -13.366 -1.325 -14.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -13.530 -0.052 -13.750 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.549 -5.744 -9.989 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.388 -5.475 -9.156 1.00 0.00 C ATOM 1353 C GLU A 108 -8.367 -4.620 -9.900 1.00 0.00 C ATOM 1354 O GLU A 108 -8.246 -4.704 -11.114 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.741 -6.785 -8.704 1.00 0.00 C ATOM 1356 CG GLU A 108 -8.591 -7.806 -9.820 1.00 0.00 C ATOM 1357 CD GLU A 108 -8.181 -9.173 -9.308 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -7.051 -9.300 -8.785 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -8.992 -10.117 -9.414 1.00 0.00 O ATOM 0 H GLU A 108 -10.329 -6.160 -10.894 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.725 -4.923 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.758 -6.570 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.340 -7.219 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.535 -7.892 -10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.848 -7.452 -10.534 1.00 0.00 H new ATOM 1366 N THR A 109 -7.636 -3.796 -9.156 1.00 0.00 N ATOM 1367 CA THR A 109 -6.628 -2.925 -9.741 1.00 0.00 C ATOM 1368 C THR A 109 -5.235 -3.532 -9.603 1.00 0.00 C ATOM 1369 O THR A 109 -4.835 -3.954 -8.518 1.00 0.00 O ATOM 1370 CB THR A 109 -6.666 -1.546 -9.081 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.695 -0.689 -9.655 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.416 -1.588 -7.589 1.00 0.00 C ATOM 0 H THR A 109 -7.725 -3.715 -8.143 1.00 0.00 H new ATOM 0 HA THR A 109 -6.852 -2.816 -10.802 1.00 0.00 H new ATOM 0 HB THR A 109 -7.675 -1.172 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.736 0.189 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.457 -0.577 -7.185 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.179 -2.202 -7.109 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.432 -2.016 -7.397 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.501 -3.573 -10.711 1.00 0.00 N ATOM 1381 CA LYS A 110 -3.154 -4.130 -10.715 1.00 0.00 C ATOM 1382 C LYS A 110 -2.104 -3.023 -10.702 1.00 0.00 C ATOM 1383 O LYS A 110 -2.091 -2.155 -11.575 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.952 -5.025 -11.939 1.00 0.00 C ATOM 1385 CG LYS A 110 -1.876 -6.082 -11.750 1.00 0.00 C ATOM 1386 CD LYS A 110 -1.172 -6.400 -13.059 1.00 0.00 C ATOM 1387 CE LYS A 110 0.192 -7.029 -12.822 1.00 0.00 C ATOM 1388 NZ LYS A 110 1.233 -6.451 -13.717 1.00 0.00 N ATOM 0 H LYS A 110 -4.817 -3.227 -11.617 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.035 -4.728 -9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.895 -5.517 -12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.691 -4.402 -12.795 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.147 -5.734 -11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.323 -6.990 -11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.789 -7.078 -13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.056 -5.486 -13.642 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.484 -6.881 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.129 -8.105 -12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.148 -6.906 -13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.967 -6.614 -14.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.311 -5.429 -13.543 1.00 0.00 H new ATOM 1402 N SER A 111 -1.225 -3.062 -9.706 1.00 0.00 N ATOM 1403 CA SER A 111 -0.169 -2.065 -9.584 1.00 0.00 C ATOM 1404 C SER A 111 0.822 -2.468 -8.489 1.00 0.00 C ATOM 1405 O SER A 111 0.437 -2.712 -7.346 1.00 0.00 O ATOM 1406 CB SER A 111 -0.767 -0.694 -9.255 1.00 0.00 C ATOM 1407 OG SER A 111 -0.941 0.075 -10.433 1.00 0.00 O ATOM 0 H SER A 111 -1.223 -3.772 -8.973 1.00 0.00 H new ATOM 0 HA SER A 111 0.357 -2.006 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.726 -0.822 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.113 -0.164 -8.562 1.00 0.00 H new ATOM 0 HG SER A 111 -1.370 -0.474 -11.122 1.00 0.00 H new ATOM 1413 N ASN A 112 2.098 -2.540 -8.860 1.00 0.00 N ATOM 1414 CA ASN A 112 3.141 -2.918 -7.905 1.00 0.00 C ATOM 1415 C ASN A 112 4.231 -1.852 -7.835 1.00 0.00 C ATOM 1416 O ASN A 112 4.808 -1.472 -8.854 1.00 0.00 O ATOM 1417 CB ASN A 112 3.752 -4.264 -8.308 1.00 0.00 C ATOM 1418 CG ASN A 112 3.166 -5.418 -7.509 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.347 -5.387 -6.194 1.00 0.00 O flip ATOM 1420 ND2 ASN A 112 2.558 -6.327 -8.074 1.00 0.00 N flip ATOM 0 H ASN A 112 2.434 -2.345 -9.803 1.00 0.00 H new ATOM 0 HA ASN A 112 2.687 -3.007 -6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.582 -4.436 -9.371 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.831 -4.231 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 112 2.442 -6.310 -9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.170 -7.097 -7.529 1.00 0.00 H new ATOM 1427 N TYR A 113 4.509 -1.376 -6.625 1.00 0.00 N ATOM 1428 CA TYR A 113 5.531 -0.356 -6.419 1.00 0.00 C ATOM 1429 C TYR A 113 6.697 -0.911 -5.607 1.00 0.00 C ATOM 1430 O TYR A 113 6.509 -1.419 -4.501 1.00 0.00 O ATOM 1431 CB TYR A 113 4.936 0.861 -5.707 1.00 0.00 C ATOM 1432 CG TYR A 113 3.565 1.259 -6.211 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.228 1.122 -7.560 1.00 0.00 C ATOM 1434 CD2 TYR A 113 2.610 1.775 -5.352 1.00 0.00 C ATOM 1435 CE1 TYR A 113 1.977 1.487 -8.014 1.00 0.00 C ATOM 1436 CE2 TYR A 113 1.357 2.141 -5.798 1.00 0.00 C ATOM 1437 CZ TYR A 113 1.046 1.995 -7.133 1.00 0.00 C ATOM 1438 OH TYR A 113 -0.201 2.360 -7.589 1.00 0.00 O ATOM 0 H TYR A 113 4.040 -1.681 -5.772 1.00 0.00 H new ATOM 0 HA TYR A 113 5.902 -0.050 -7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.872 0.650 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.615 1.706 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 113 3.954 0.726 -8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.852 1.894 -4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.727 1.375 -9.059 1.00 0.00 H new ATOM 0 HE2 TYR A 113 0.627 2.538 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.848 2.302 -6.855 1.00 0.00 H new ATOM 1448 N ARG A 114 7.901 -0.809 -6.161 1.00 0.00 N ATOM 1449 CA ARG A 114 9.096 -1.299 -5.492 1.00 0.00 C ATOM 1450 C ARG A 114 9.662 -0.235 -4.556 1.00 0.00 C ATOM 1451 O ARG A 114 10.009 0.864 -4.988 1.00 0.00 O ATOM 1452 CB ARG A 114 10.154 -1.715 -6.516 1.00 0.00 C ATOM 1453 CG ARG A 114 10.720 -3.105 -6.266 1.00 0.00 C ATOM 1454 CD ARG A 114 11.895 -3.068 -5.303 1.00 0.00 C ATOM 1455 NE ARG A 114 12.263 -4.403 -4.844 1.00 0.00 N ATOM 1456 CZ ARG A 114 13.437 -4.697 -4.283 1.00 0.00 C ATOM 1457 NH1 ARG A 114 14.358 -3.755 -4.125 1.00 0.00 N ATOM 1458 NH2 ARG A 114 13.690 -5.937 -3.886 1.00 0.00 N ATOM 0 H ARG A 114 8.073 -0.390 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 114 8.820 -2.172 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.716 -1.683 -7.514 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.968 -0.991 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 114 9.939 -3.749 -5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.038 -3.544 -7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.751 -2.603 -5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.642 -2.446 -4.445 1.00 0.00 H new ATOM 0 HE ARG A 114 11.583 -5.155 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 114 14.170 -2.801 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 114 15.254 -3.985 -3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.987 -6.666 -4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.588 -6.162 -3.457 1.00 0.00 H new ATOM 1472 N VAL A 115 9.748 -0.567 -3.272 1.00 0.00 N ATOM 1473 CA VAL A 115 10.268 0.362 -2.276 1.00 0.00 C ATOM 1474 C VAL A 115 11.460 -0.233 -1.527 1.00 0.00 C ATOM 1475 O VAL A 115 11.425 -1.386 -1.097 1.00 0.00 O ATOM 1476 CB VAL A 115 9.186 0.750 -1.243 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.668 1.894 -0.365 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.889 1.118 -1.947 1.00 0.00 C ATOM 0 H VAL A 115 9.464 -1.472 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 115 10.585 1.251 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 115 8.996 -0.111 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.892 2.152 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.570 1.590 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.889 2.762 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.137 1.389 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.063 1.963 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.536 0.266 -2.528 1.00 0.00 H new ATOM 1488 N ARG A 116 12.514 0.563 -1.378 1.00 0.00 N ATOM 1489 CA ARG A 116 13.717 0.116 -0.685 1.00 0.00 C ATOM 1490 C ARG A 116 14.266 1.220 0.197 1.00 0.00 C ATOM 1491 O ARG A 116 14.183 2.403 -0.128 1.00 0.00 O ATOM 1492 CB ARG A 116 14.783 -0.314 -1.694 1.00 0.00 C ATOM 1493 CG ARG A 116 16.039 -0.878 -1.049 1.00 0.00 C ATOM 1494 CD ARG A 116 15.871 -2.345 -0.686 1.00 0.00 C ATOM 1495 NE ARG A 116 16.738 -3.208 -1.485 1.00 0.00 N ATOM 1496 CZ ARG A 116 16.560 -4.521 -1.615 1.00 0.00 C ATOM 1497 NH1 ARG A 116 15.550 -5.125 -1.001 1.00 0.00 N ATOM 1498 NH2 ARG A 116 17.395 -5.232 -2.361 1.00 0.00 N ATOM 0 H ARG A 116 12.559 1.520 -1.728 1.00 0.00 H new ATOM 0 HA ARG A 116 13.452 -0.736 -0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.359 -1.065 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.055 0.543 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.881 -0.766 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.277 -0.306 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.095 -2.485 0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.832 -2.638 -0.833 1.00 0.00 H new ATOM 0 HE ARG A 116 17.525 -2.780 -1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.905 -4.583 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 116 15.419 -6.131 -1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 116 18.173 -4.773 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 116 17.259 -6.238 -2.461 1.00 0.00 H new ATOM 1512 N VAL A 117 14.825 0.828 1.337 1.00 0.00 N ATOM 1513 CA VAL A 117 15.385 1.788 2.288 1.00 0.00 C ATOM 1514 C VAL A 117 16.887 1.958 2.076 1.00 0.00 C ATOM 1515 O VAL A 117 17.536 1.115 1.456 1.00 0.00 O ATOM 1516 CB VAL A 117 15.122 1.368 3.748 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.632 1.184 3.982 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.888 0.098 4.086 1.00 0.00 C ATOM 0 H VAL A 117 14.903 -0.147 1.627 1.00 0.00 H new ATOM 0 HA VAL A 117 14.884 2.739 2.104 1.00 0.00 H new ATOM 0 HB VAL A 117 15.477 2.159 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.460 0.887 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.114 2.122 3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.252 0.410 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.689 -0.182 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.568 -0.707 3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.956 0.272 3.956 1.00 0.00 H new ATOM 1528 N TYR A 118 17.432 3.056 2.592 1.00 0.00 N ATOM 1529 CA TYR A 118 18.858 3.341 2.451 1.00 0.00 C ATOM 1530 C TYR A 118 19.704 2.161 2.926 1.00 0.00 C ATOM 1531 O TYR A 118 20.223 1.393 2.124 1.00 0.00 O ATOM 1532 CB TYR A 118 19.222 4.599 3.252 1.00 0.00 C ATOM 1533 CG TYR A 118 19.227 5.862 2.420 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.267 6.075 1.430 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.191 6.842 2.610 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.268 7.228 0.676 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.198 7.998 1.853 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.236 8.186 0.892 1.00 0.00 C ATOM 1539 OH TYR A 118 19.240 9.336 0.136 1.00 0.00 O ATOM 0 H TYR A 118 16.910 3.762 3.111 1.00 0.00 H new ATOM 0 HA TYR A 118 19.068 3.509 1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.513 4.716 4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.207 4.464 3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.511 5.324 1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 118 20.951 6.698 3.364 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.513 7.381 -0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 118 20.956 8.750 2.017 1.00 0.00 H new ATOM 0 HH TYR A 118 19.986 9.908 0.414 1.00 0.00 H new ATOM 1549 N GLN A 119 19.842 2.025 4.241 1.00 0.00 N ATOM 1550 CA GLN A 119 20.627 0.940 4.818 1.00 0.00 C ATOM 1551 C GLN A 119 19.830 -0.360 4.842 1.00 0.00 C ATOM 1552 O GLN A 119 18.725 -0.412 5.383 1.00 0.00 O ATOM 1553 CB GLN A 119 21.075 1.304 6.235 1.00 0.00 C ATOM 1554 CG GLN A 119 22.354 2.123 6.277 1.00 0.00 C ATOM 1555 CD GLN A 119 23.568 1.332 5.830 1.00 0.00 C ATOM 1556 OE1 GLN A 119 23.836 1.344 4.529 1.00 0.00 O flip ATOM 1557 NE2 GLN A 119 24.256 0.716 6.643 1.00 0.00 N flip ATOM 0 H GLN A 119 19.421 2.652 4.926 1.00 0.00 H new ATOM 0 HA GLN A 119 21.507 0.792 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 119 20.279 1.863 6.726 1.00 0.00 H new ATOM 0 HB3 GLN A 119 21.221 0.388 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 119 22.241 2.999 5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.515 2.486 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 119 24.014 0.734 7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 119 25.069 0.187 6.326 1.00 0.00 H new ATOM 1566 N ILE A 120 20.400 -1.408 4.264 1.00 0.00 N ATOM 1567 CA ILE A 120 19.744 -2.712 4.220 1.00 0.00 C ATOM 1568 C ILE A 120 20.539 -3.751 4.999 1.00 0.00 C ATOM 1569 O ILE A 120 21.713 -3.544 5.306 1.00 0.00 O ATOM 1570 CB ILE A 120 19.552 -3.215 2.763 1.00 0.00 C ATOM 1571 CG1 ILE A 120 20.573 -2.564 1.836 1.00 0.00 C ATOM 1572 CG2 ILE A 120 18.133 -2.933 2.289 1.00 0.00 C ATOM 1573 CD1 ILE A 120 20.430 -2.987 0.381 1.00 0.00 C ATOM 0 H ILE A 120 21.317 -1.383 3.818 1.00 0.00 H new ATOM 0 HA ILE A 120 18.764 -2.581 4.678 1.00 0.00 H new ATOM 0 HB ILE A 120 19.712 -4.293 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 120 20.473 -1.481 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 120 21.576 -2.813 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 120 18.013 -3.291 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 120 17.424 -3.446 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 120 17.945 -1.860 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 120 21.188 -2.485 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 120 20.560 -4.066 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 120 19.439 -2.713 0.018 1.00 0.00 H new ATOM 1585 N PRO A 121 19.907 -4.888 5.344 1.00 0.00 N ATOM 1586 CA PRO A 121 20.562 -5.961 6.091 1.00 0.00 C ATOM 1587 C PRO A 121 21.628 -6.679 5.270 1.00 0.00 C ATOM 1588 O PRO A 121 21.864 -6.263 4.124 1.00 0.00 O ATOM 1589 CB PRO A 121 19.413 -6.914 6.427 1.00 0.00 C ATOM 1590 CG PRO A 121 18.400 -6.675 5.362 1.00 0.00 C ATOM 1591 CD PRO A 121 18.506 -5.217 5.009 1.00 0.00 C ATOM 1592 OXT PRO A 121 22.217 -7.651 5.787 1.00 0.00 O ATOM 0 HA PRO A 121 21.089 -5.581 6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 121 19.747 -7.952 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 121 19.004 -6.708 7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.593 -7.302 4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.398 -6.919 5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.293 -5.042 3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.803 -4.612 5.581 1.00 0.00 H new TER 1600 PRO A 121