USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 93 TYR OH : rot -140:sc= -11.8! USER MOD Set 1.2: A 94 HIS :FLIP no HE2:sc= -30.6! C(o=-48!,f=-42!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -177:sc= -2.47! (180deg=-2.69!) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 62 LYS NZ :NH3+ -151:sc= 1.65 (180deg=-0.0942) USER MOD Set 3.2: A 64 TYR OH : rot -164:sc= -1.48! USER MOD Set 4.1: A 39 SER OG : rot 170:sc= -0.104 USER MOD Set 4.2: A 44 THR OG1 : rot -158:sc= -2.98! USER MOD Set 4.3: A 46 THR OG1 : rot 64:sc= -3.45! USER MOD Set 4.4: A 65 HIS : no HE2:sc= -18.7! C(o=-25!,f=-37!) USER MOD Set 5.1: A 13 ASN :FLIP amide:sc= -14.1! C(o=-45!,f=-37!) USER MOD Set 5.2: A 35 MET CE :methyl -153:sc= -22.6! (180deg=-26.1!) USER MOD Set 6.1: A 30 LYS NZ :NH3+ 149:sc= -3.11! (180deg=-5.33!) USER MOD Set 6.2: A 107 TYR OH : rot -98:sc= 1.28 USER MOD Set 7.1: A 17 SER OG : rot 111:sc= 0.0106 USER MOD Set 7.2: A 20 LYS NZ :NH3+ -130:sc= -5.21! (180deg=-5.71!) USER MOD Set 8.1: A 5 ASN : amide:sc= -4.79! C(o=-4.2!,f=-6.9!) USER MOD Set 8.2: A 45 TYR OH : rot -140:sc= 0.634 USER MOD Single : A 4 ASN :FLIP amide:sc= -20.7! C(o=-22!,f=-21!) USER MOD Single : A 8 THR OG1 : rot -25:sc= 0.294 USER MOD Single : A 9 TYR OH : rot -5:sc= -5.14! USER MOD Single : A 12 TYR OH : rot 125:sc= -4.05! USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= -0.953 (180deg=-4.69!) USER MOD Single : A 15 SER OG : rot -37:sc= 0.261 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 120:sc= -5.41! USER MOD Single : A 41 THR OG1 : rot 180:sc= -6.46! USER MOD Single : A 48 SER OG : rot 163:sc= -0.724! USER MOD Single : A 51 THR OG1 : rot -125:sc= -10.1! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0628 USER MOD Single : A 58 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.1) USER MOD Single : A 60 CYS SG : rot 59:sc= -8.48! USER MOD Single : A 63 HIS : no HE2:sc= -28.8! C(o=-29!,f=-32!) USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= -3.71! (180deg=-5.97!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= 0.166 F(o=-2.1!,f=0.17) USER MOD Single : A 72 SER OG : rot -87:sc= 1.01 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -15:sc= -2.05! USER MOD Single : A 86 SER OG : rot 180:sc= -6.46! USER MOD Single : A 92 GLN : amide:sc= -11.1! C(o=-11!,f=-12!) USER MOD Single : A 95 GLN : amide:sc= -17! C(o=-17!,f=-23!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -18! C(o=-18!,f=-18!) USER MOD Single : A 103 THR OG1 : rot -48:sc= -4.41! USER MOD Single : A 110 CYS SG : rot -42:sc= 0.483 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -9.729 14.210 6.171 1.00 0.00 C HETATM 2 O ACE A 3 -9.706 14.998 5.226 1.00 0.00 O HETATM 3 CH3 ACE A 3 -9.928 14.702 7.583 1.00 0.00 C HETATM 0 H1 ACE A 3 -10.827 14.251 8.002 1.00 0.00 H new HETATM 0 H2 ACE A 3 -9.066 14.425 8.190 1.00 0.00 H new HETATM 0 H3 ACE A 3 -10.035 15.787 7.579 1.00 0.00 H new ATOM 7 N ASN A 4 -9.582 12.897 6.023 1.00 0.00 N ATOM 8 CA ASN A 4 -9.381 12.294 4.710 1.00 0.00 C ATOM 9 C ASN A 4 -9.654 10.799 4.750 1.00 0.00 C ATOM 10 O ASN A 4 -10.732 10.342 4.374 1.00 0.00 O ATOM 11 CB ASN A 4 -7.952 12.531 4.224 1.00 0.00 C ATOM 12 CG ASN A 4 -7.201 13.512 5.104 1.00 0.00 C ATOM 13 OD1 ASN A 4 -7.214 13.267 6.409 1.00 0.00 O flip ATOM 14 ND2 ASN A 4 -6.614 14.479 4.616 1.00 0.00 N flip ATOM 0 H ASN A 4 -9.598 12.231 6.795 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.082 12.764 4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.416 11.582 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.976 12.908 3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.630 14.629 3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.112 15.129 5.221 1.00 0.00 H new ATOM 21 N ASN A 5 -8.658 10.043 5.196 1.00 0.00 N ATOM 22 CA ASN A 5 -8.775 8.596 5.274 1.00 0.00 C ATOM 23 C ASN A 5 -7.441 7.966 5.648 1.00 0.00 C ATOM 24 O ASN A 5 -7.387 7.008 6.419 1.00 0.00 O ATOM 25 CB ASN A 5 -9.232 8.039 3.929 1.00 0.00 C ATOM 26 CG ASN A 5 -10.741 8.044 3.778 1.00 0.00 C ATOM 27 OD1 ASN A 5 -11.471 8.318 4.729 1.00 0.00 O ATOM 28 ND2 ASN A 5 -11.216 7.741 2.575 1.00 0.00 N ATOM 0 H ASN A 5 -7.760 10.411 5.509 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.509 8.355 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.788 8.628 3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.863 7.019 3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.223 7.729 2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.574 7.520 1.814 1.00 0.00 H new ATOM 35 N LEU A 6 -6.367 8.502 5.076 1.00 0.00 N ATOM 36 CA LEU A 6 -5.032 7.983 5.327 1.00 0.00 C ATOM 37 C LEU A 6 -4.181 8.972 6.100 1.00 0.00 C ATOM 38 O LEU A 6 -4.014 8.858 7.311 1.00 0.00 O ATOM 39 CB LEU A 6 -4.337 7.648 4.014 1.00 0.00 C ATOM 40 CG LEU A 6 -5.225 7.011 2.952 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.561 5.766 2.410 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.583 6.677 3.533 1.00 0.00 C ATOM 0 H LEU A 6 -6.398 9.296 4.436 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.146 7.080 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.908 8.563 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.507 6.973 4.223 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.367 7.719 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.200 5.314 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.601 6.029 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.403 5.055 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.206 6.223 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.463 5.979 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.059 7.589 3.894 1.00 0.00 H new ATOM 54 N GLU A 7 -3.628 9.926 5.373 1.00 0.00 N ATOM 55 CA GLU A 7 -2.764 10.940 5.952 1.00 0.00 C ATOM 56 C GLU A 7 -2.573 10.727 7.443 1.00 0.00 C ATOM 57 O GLU A 7 -3.165 11.423 8.268 1.00 0.00 O ATOM 58 CB GLU A 7 -3.315 12.339 5.681 1.00 0.00 C ATOM 59 CG GLU A 7 -4.809 12.357 5.417 1.00 0.00 C ATOM 60 CD GLU A 7 -5.137 12.440 3.939 1.00 0.00 C ATOM 61 OE1 GLU A 7 -5.076 13.554 3.379 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.455 11.390 3.342 1.00 0.00 O ATOM 0 H GLU A 7 -3.764 10.020 4.367 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.788 10.849 5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.097 12.979 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.797 12.766 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.259 11.457 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.256 13.207 5.933 1.00 0.00 H new ATOM 69 N THR A 8 -1.727 9.764 7.773 1.00 0.00 N ATOM 70 CA THR A 8 -1.424 9.443 9.162 1.00 0.00 C ATOM 71 C THR A 8 -0.881 8.024 9.301 1.00 0.00 C ATOM 72 O THR A 8 -0.341 7.661 10.347 1.00 0.00 O ATOM 73 CB THR A 8 -2.669 9.611 10.032 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.376 9.326 11.388 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.814 8.719 9.611 1.00 0.00 C ATOM 0 H THR A 8 -1.234 9.186 7.093 1.00 0.00 H new ATOM 0 HA THR A 8 -0.654 10.136 9.500 1.00 0.00 H new ATOM 0 HB THR A 8 -2.973 10.650 9.906 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.606 8.722 11.436 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.667 8.887 10.269 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.097 8.950 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.505 7.676 9.676 1.00 0.00 H new ATOM 83 N TYR A 9 -1.032 7.219 8.253 1.00 0.00 N ATOM 84 CA TYR A 9 -0.557 5.841 8.286 1.00 0.00 C ATOM 85 C TYR A 9 0.925 5.749 7.990 1.00 0.00 C ATOM 86 O TYR A 9 1.397 6.226 6.958 1.00 0.00 O ATOM 87 CB TYR A 9 -1.334 4.986 7.293 1.00 0.00 C ATOM 88 CG TYR A 9 -2.788 4.905 7.660 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.701 5.839 7.184 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.240 3.919 8.524 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.031 5.782 7.568 1.00 0.00 C ATOM 92 CE2 TYR A 9 -4.563 3.854 8.901 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.454 4.789 8.423 1.00 0.00 C ATOM 94 OH TYR A 9 -6.775 4.735 8.806 1.00 0.00 O ATOM 0 H TYR A 9 -1.476 7.495 7.377 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.723 5.466 9.296 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.233 5.405 6.292 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.908 3.983 7.263 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.371 6.615 6.510 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.542 3.189 8.908 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.734 6.514 7.198 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.900 3.074 9.568 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.251 5.514 8.449 1.00 0.00 H new ATOM 104 N GLU A 10 1.652 5.106 8.891 1.00 0.00 N ATOM 105 CA GLU A 10 3.076 4.924 8.706 1.00 0.00 C ATOM 106 C GLU A 10 3.343 4.562 7.258 1.00 0.00 C ATOM 107 O GLU A 10 4.451 4.728 6.750 1.00 0.00 O ATOM 108 CB GLU A 10 3.581 3.805 9.619 1.00 0.00 C ATOM 109 CG GLU A 10 4.672 2.954 8.995 1.00 0.00 C ATOM 110 CD GLU A 10 5.892 2.826 9.885 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.741 2.372 11.038 1.00 0.00 O ATOM 112 OE2 GLU A 10 7.000 3.179 9.428 1.00 0.00 O ATOM 0 H GLU A 10 1.279 4.705 9.751 1.00 0.00 H new ATOM 0 HA GLU A 10 3.598 5.847 8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.958 4.244 10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.743 3.163 9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.276 1.961 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.967 3.391 8.041 1.00 0.00 H new ATOM 119 N TRP A 11 2.308 4.042 6.608 1.00 0.00 N ATOM 120 CA TRP A 11 2.401 3.618 5.227 1.00 0.00 C ATOM 121 C TRP A 11 1.879 4.668 4.246 1.00 0.00 C ATOM 122 O TRP A 11 2.318 4.719 3.102 1.00 0.00 O ATOM 123 CB TRP A 11 1.602 2.336 5.060 1.00 0.00 C ATOM 124 CG TRP A 11 0.246 2.388 5.715 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.114 1.917 6.952 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.941 2.923 5.135 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.464 2.125 7.159 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.988 2.744 6.056 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.211 3.534 3.922 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.292 3.159 5.786 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.497 3.945 3.651 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.525 3.754 4.579 1.00 0.00 C ATOM 0 H TRP A 11 1.388 3.905 7.026 1.00 0.00 H new ATOM 0 HA TRP A 11 3.455 3.464 4.998 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.476 2.130 3.997 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.169 1.505 5.480 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.558 1.453 7.659 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.984 1.861 7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.424 3.686 3.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.086 3.015 6.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.715 4.422 2.707 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.524 4.084 4.336 1.00 0.00 H new ATOM 143 N TYR A 12 0.917 5.478 4.669 1.00 0.00 N ATOM 144 CA TYR A 12 0.334 6.478 3.776 1.00 0.00 C ATOM 145 C TYR A 12 1.285 7.623 3.443 1.00 0.00 C ATOM 146 O TYR A 12 1.953 8.179 4.316 1.00 0.00 O ATOM 147 CB TYR A 12 -0.947 7.062 4.362 1.00 0.00 C ATOM 148 CG TYR A 12 -1.653 7.976 3.390 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.361 7.455 2.318 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.598 9.358 3.531 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.000 8.280 1.415 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.233 10.192 2.630 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.934 9.647 1.574 1.00 0.00 C ATOM 154 OH TYR A 12 -3.569 10.472 0.674 1.00 0.00 O ATOM 0 H TYR A 12 0.526 5.466 5.611 1.00 0.00 H new ATOM 0 HA TYR A 12 0.117 5.943 2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.617 6.251 4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.710 7.615 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.413 6.384 2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.051 9.787 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.549 7.856 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.181 11.264 2.752 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.176 11.073 1.154 1.00 0.00 H new ATOM 164 N ASN A 13 1.299 7.987 2.162 1.00 0.00 N ATOM 165 CA ASN A 13 2.113 9.088 1.663 1.00 0.00 C ATOM 166 C ASN A 13 1.328 9.862 0.606 1.00 0.00 C ATOM 167 O ASN A 13 1.279 9.468 -0.559 1.00 0.00 O ATOM 168 CB ASN A 13 3.417 8.563 1.070 1.00 0.00 C ATOM 169 CG ASN A 13 4.432 8.226 2.135 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.129 7.202 2.909 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.471 8.876 2.257 1.00 0.00 N flip ATOM 0 H ASN A 13 0.744 7.524 1.442 1.00 0.00 H new ATOM 0 HA ASN A 13 2.357 9.753 2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.211 7.675 0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.835 9.311 0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.658 9.660 1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.144 8.630 2.983 1.00 0.00 H new ATOM 178 N LYS A 14 0.693 10.949 1.030 1.00 0.00 N ATOM 179 CA LYS A 14 -0.118 11.768 0.137 1.00 0.00 C ATOM 180 C LYS A 14 0.656 12.221 -1.102 1.00 0.00 C ATOM 181 O LYS A 14 0.686 11.524 -2.117 1.00 0.00 O ATOM 182 CB LYS A 14 -0.657 12.983 0.891 1.00 0.00 C ATOM 183 CG LYS A 14 -2.165 12.962 1.074 1.00 0.00 C ATOM 184 CD LYS A 14 -2.806 14.240 0.558 1.00 0.00 C ATOM 185 CE LYS A 14 -3.835 14.782 1.538 1.00 0.00 C ATOM 186 NZ LYS A 14 -3.289 14.878 2.920 1.00 0.00 N ATOM 0 H LYS A 14 0.725 11.285 1.993 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.947 11.150 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.181 13.034 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.377 13.888 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.585 12.105 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.403 12.835 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.035 14.991 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.283 14.047 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.166 15.767 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.712 14.135 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.866 14.298 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.308 14.534 2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.311 15.869 3.234 1.00 0.00 H new ATOM 200 N SER A 15 1.260 13.403 -1.017 1.00 0.00 N ATOM 201 CA SER A 15 2.015 13.974 -2.132 1.00 0.00 C ATOM 202 C SER A 15 2.972 12.961 -2.764 1.00 0.00 C ATOM 203 O SER A 15 3.584 13.240 -3.795 1.00 0.00 O ATOM 204 CB SER A 15 2.800 15.200 -1.663 1.00 0.00 C ATOM 205 OG SER A 15 3.337 15.914 -2.762 1.00 0.00 O ATOM 0 H SER A 15 1.242 13.989 -0.182 1.00 0.00 H new ATOM 0 HA SER A 15 1.292 14.265 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.147 15.854 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.606 14.887 -1.000 1.00 0.00 H new ATOM 0 HG SER A 15 3.628 15.282 -3.452 1.00 0.00 H new ATOM 211 N ILE A 16 3.115 11.800 -2.138 1.00 0.00 N ATOM 212 CA ILE A 16 4.013 10.773 -2.636 1.00 0.00 C ATOM 213 C ILE A 16 3.643 10.272 -4.021 1.00 0.00 C ATOM 214 O ILE A 16 2.489 10.341 -4.447 1.00 0.00 O ATOM 215 CB ILE A 16 4.023 9.560 -1.704 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.396 9.383 -1.093 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.627 8.305 -2.465 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.814 7.933 -1.018 1.00 0.00 C ATOM 0 H ILE A 16 2.619 11.548 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 16 4.993 11.249 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 16 3.300 9.729 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.126 9.938 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.402 9.812 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.639 7.450 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.625 8.429 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.333 8.134 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.806 7.863 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.101 7.380 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.837 7.508 -2.022 1.00 0.00 H new ATOM 230 N SER A 17 4.647 9.733 -4.696 1.00 0.00 N ATOM 231 CA SER A 17 4.486 9.161 -6.019 1.00 0.00 C ATOM 232 C SER A 17 5.018 7.732 -6.023 1.00 0.00 C ATOM 233 O SER A 17 5.450 7.225 -4.989 1.00 0.00 O ATOM 234 CB SER A 17 5.228 10.007 -7.048 1.00 0.00 C ATOM 235 OG SER A 17 4.371 10.393 -8.108 1.00 0.00 O ATOM 0 H SER A 17 5.600 9.681 -4.337 1.00 0.00 H new ATOM 0 HA SER A 17 3.428 9.148 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.637 10.895 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.072 9.443 -7.446 1.00 0.00 H new ATOM 0 HG SER A 17 4.208 11.358 -8.062 1.00 0.00 H new ATOM 241 N ARG A 18 4.997 7.089 -7.180 1.00 0.00 N ATOM 242 CA ARG A 18 5.494 5.724 -7.291 1.00 0.00 C ATOM 243 C ARG A 18 7.021 5.693 -7.249 1.00 0.00 C ATOM 244 O ARG A 18 7.622 4.757 -6.720 1.00 0.00 O ATOM 245 CB ARG A 18 4.995 5.081 -8.587 1.00 0.00 C ATOM 246 CG ARG A 18 5.984 5.187 -9.737 1.00 0.00 C ATOM 247 CD ARG A 18 7.196 4.298 -9.514 1.00 0.00 C ATOM 248 NE ARG A 18 7.253 3.198 -10.472 1.00 0.00 N ATOM 249 CZ ARG A 18 7.983 3.227 -11.582 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.713 4.295 -11.871 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.984 2.186 -12.404 1.00 0.00 N ATOM 0 H ARG A 18 4.644 7.486 -8.051 1.00 0.00 H new ATOM 0 HA ARG A 18 5.114 5.156 -6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.778 4.029 -8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.057 5.553 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.492 4.906 -10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.306 6.222 -9.847 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.104 4.896 -9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.169 3.895 -8.501 1.00 0.00 H new ATOM 0 HE ARG A 18 6.702 2.361 -10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.715 5.097 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.273 4.315 -12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.424 1.362 -12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.545 2.209 -13.256 1.00 0.00 H new ATOM 265 N ASP A 19 7.640 6.717 -7.829 1.00 0.00 N ATOM 266 CA ASP A 19 9.097 6.812 -7.886 1.00 0.00 C ATOM 267 C ASP A 19 9.724 7.173 -6.538 1.00 0.00 C ATOM 268 O ASP A 19 10.801 6.681 -6.202 1.00 0.00 O ATOM 269 CB ASP A 19 9.508 7.849 -8.931 1.00 0.00 C ATOM 270 CG ASP A 19 9.499 7.288 -10.339 1.00 0.00 C ATOM 271 OD1 ASP A 19 8.409 7.219 -10.944 1.00 0.00 O ATOM 272 OD2 ASP A 19 10.583 6.918 -10.838 1.00 0.00 O ATOM 0 H ASP A 19 7.153 7.498 -8.269 1.00 0.00 H new ATOM 0 HA ASP A 19 9.467 5.824 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.831 8.701 -8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.506 8.220 -8.697 1.00 0.00 H new ATOM 277 N LYS A 20 9.070 8.047 -5.778 1.00 0.00 N ATOM 278 CA LYS A 20 9.605 8.477 -4.487 1.00 0.00 C ATOM 279 C LYS A 20 9.420 7.412 -3.416 1.00 0.00 C ATOM 280 O LYS A 20 10.360 7.084 -2.681 1.00 0.00 O ATOM 281 CB LYS A 20 8.934 9.777 -4.042 1.00 0.00 C ATOM 282 CG LYS A 20 8.960 10.862 -5.102 1.00 0.00 C ATOM 283 CD LYS A 20 8.024 10.530 -6.250 1.00 0.00 C ATOM 284 CE LYS A 20 7.494 11.788 -6.918 1.00 0.00 C ATOM 285 NZ LYS A 20 6.928 11.506 -8.266 1.00 0.00 N ATOM 0 H LYS A 20 8.176 8.469 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 20 10.675 8.643 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.899 9.569 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.431 10.145 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.672 11.815 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.975 10.981 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.550 9.920 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.190 9.934 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.726 12.237 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.299 12.518 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.330 12.171 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.164 10.532 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.894 11.618 -8.239 1.00 0.00 H new ATOM 299 N ALA A 21 8.208 6.880 -3.319 1.00 0.00 N ATOM 300 CA ALA A 21 7.915 5.863 -2.322 1.00 0.00 C ATOM 301 C ALA A 21 8.960 4.758 -2.363 1.00 0.00 C ATOM 302 O ALA A 21 9.535 4.394 -1.341 1.00 0.00 O ATOM 303 CB ALA A 21 6.519 5.297 -2.508 1.00 0.00 C ATOM 0 H ALA A 21 7.419 7.134 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 21 7.952 6.333 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.329 4.539 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.786 6.098 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.438 4.847 -3.497 1.00 0.00 H new ATOM 309 N GLU A 22 9.226 4.238 -3.548 1.00 0.00 N ATOM 310 CA GLU A 22 10.223 3.195 -3.689 1.00 0.00 C ATOM 311 C GLU A 22 11.561 3.690 -3.157 1.00 0.00 C ATOM 312 O GLU A 22 12.232 3.004 -2.380 1.00 0.00 O ATOM 313 CB GLU A 22 10.356 2.777 -5.153 1.00 0.00 C ATOM 314 CG GLU A 22 9.058 2.274 -5.763 1.00 0.00 C ATOM 315 CD GLU A 22 8.069 1.793 -4.719 1.00 0.00 C ATOM 316 OE1 GLU A 22 7.679 2.605 -3.853 1.00 0.00 O ATOM 317 OE2 GLU A 22 7.685 0.606 -4.768 1.00 0.00 O ATOM 0 H GLU A 22 8.771 4.518 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 22 9.909 2.325 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.715 3.627 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.111 1.995 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.603 3.073 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.277 1.459 -6.453 1.00 0.00 H new ATOM 324 N LYS A 23 11.930 4.902 -3.564 1.00 0.00 N ATOM 325 CA LYS A 23 13.172 5.511 -3.116 1.00 0.00 C ATOM 326 C LYS A 23 13.175 5.621 -1.599 1.00 0.00 C ATOM 327 O LYS A 23 14.143 5.246 -0.939 1.00 0.00 O ATOM 328 CB LYS A 23 13.347 6.895 -3.743 1.00 0.00 C ATOM 329 CG LYS A 23 13.078 8.037 -2.776 1.00 0.00 C ATOM 330 CD LYS A 23 13.191 9.388 -3.466 1.00 0.00 C ATOM 331 CE LYS A 23 12.308 10.430 -2.798 1.00 0.00 C ATOM 332 NZ LYS A 23 12.369 11.741 -3.499 1.00 0.00 N ATOM 0 H LYS A 23 11.384 5.479 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 23 14.004 4.881 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.363 6.986 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.675 6.986 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.081 7.927 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.786 7.989 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.228 9.722 -3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.908 9.287 -4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.277 10.075 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.619 10.558 -1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.753 12.424 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.348 12.092 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.048 11.625 -4.481 1.00 0.00 H new ATOM 346 N LEU A 24 12.074 6.128 -1.052 1.00 0.00 N ATOM 347 CA LEU A 24 11.946 6.272 0.394 1.00 0.00 C ATOM 348 C LEU A 24 11.861 4.905 1.062 1.00 0.00 C ATOM 349 O LEU A 24 12.424 4.692 2.136 1.00 0.00 O ATOM 350 CB LEU A 24 10.709 7.098 0.744 1.00 0.00 C ATOM 351 CG LEU A 24 9.466 6.779 -0.085 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.750 5.555 0.466 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.534 7.980 -0.122 1.00 0.00 C ATOM 0 H LEU A 24 11.263 6.444 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 24 12.831 6.790 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.474 6.945 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.949 8.154 0.621 1.00 0.00 H new ATOM 0 HG LEU A 24 9.779 6.554 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.868 5.346 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.422 4.697 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.447 5.744 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.653 7.738 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.229 8.235 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.052 8.829 -0.569 1.00 0.00 H new ATOM 365 N LEU A 25 11.160 3.977 0.415 1.00 0.00 N ATOM 366 CA LEU A 25 11.013 2.627 0.948 1.00 0.00 C ATOM 367 C LEU A 25 12.352 1.904 0.920 1.00 0.00 C ATOM 368 O LEU A 25 12.763 1.297 1.907 1.00 0.00 O ATOM 369 CB LEU A 25 9.980 1.836 0.140 1.00 0.00 C ATOM 370 CG LEU A 25 8.532 1.964 0.624 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.658 2.562 -0.468 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.993 0.608 1.056 1.00 0.00 C ATOM 0 H LEU A 25 10.687 4.135 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 25 10.667 2.702 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.029 2.162 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.259 0.783 0.157 1.00 0.00 H new ATOM 0 HG LEU A 25 8.513 2.632 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.633 2.646 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.032 3.551 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.682 1.918 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.963 0.717 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.025 -0.082 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.604 0.216 1.869 1.00 0.00 H new ATOM 384 N LEU A 26 13.031 1.979 -0.221 1.00 0.00 N ATOM 385 CA LEU A 26 14.329 1.337 -0.378 1.00 0.00 C ATOM 386 C LEU A 26 15.327 1.879 0.637 1.00 0.00 C ATOM 387 O LEU A 26 16.148 1.138 1.176 1.00 0.00 O ATOM 388 CB LEU A 26 14.858 1.557 -1.792 1.00 0.00 C ATOM 389 CG LEU A 26 14.784 0.334 -2.703 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.112 0.687 -4.019 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.175 -0.230 -2.946 1.00 0.00 C ATOM 0 H LEU A 26 12.703 2.477 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 26 14.203 0.268 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.296 2.370 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.896 1.883 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 26 14.184 -0.429 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.069 -0.198 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.101 1.045 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.684 1.467 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.106 -1.101 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.798 0.529 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.620 -0.522 -1.995 1.00 0.00 H new ATOM 403 N ASP A 27 15.249 3.180 0.890 1.00 0.00 N ATOM 404 CA ASP A 27 16.144 3.832 1.837 1.00 0.00 C ATOM 405 C ASP A 27 15.811 3.435 3.272 1.00 0.00 C ATOM 406 O ASP A 27 16.690 3.392 4.132 1.00 0.00 O ATOM 407 CB ASP A 27 16.063 5.352 1.684 1.00 0.00 C ATOM 408 CG ASP A 27 16.668 5.835 0.381 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.426 5.191 -0.661 1.00 0.00 O ATOM 410 OD2 ASP A 27 17.384 6.858 0.403 1.00 0.00 O ATOM 0 H ASP A 27 14.573 3.805 0.451 1.00 0.00 H new ATOM 0 HA ASP A 27 17.160 3.504 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.020 5.664 1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.579 5.826 2.519 1.00 0.00 H new ATOM 415 N THR A 28 14.537 3.151 3.528 1.00 0.00 N ATOM 416 CA THR A 28 14.100 2.764 4.864 1.00 0.00 C ATOM 417 C THR A 28 14.625 1.380 5.233 1.00 0.00 C ATOM 418 O THR A 28 15.281 1.211 6.262 1.00 0.00 O ATOM 419 CB THR A 28 12.575 2.794 4.946 1.00 0.00 C ATOM 420 OG1 THR A 28 12.153 3.285 6.205 1.00 0.00 O ATOM 421 CG2 THR A 28 11.932 1.442 4.736 1.00 0.00 C ATOM 0 H THR A 28 13.793 3.182 2.831 1.00 0.00 H new ATOM 0 HA THR A 28 14.508 3.480 5.578 1.00 0.00 H new ATOM 0 HB THR A 28 12.256 3.452 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.615 4.094 6.077 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.849 1.539 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.198 1.062 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.285 0.749 5.499 1.00 0.00 H new ATOM 429 N GLY A 29 14.350 0.395 4.385 1.00 0.00 N ATOM 430 CA GLY A 29 14.820 -0.956 4.639 1.00 0.00 C ATOM 431 C GLY A 29 13.963 -1.715 5.635 1.00 0.00 C ATOM 432 O GLY A 29 14.336 -1.861 6.799 1.00 0.00 O ATOM 0 H GLY A 29 13.810 0.507 3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.845 -1.507 3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.844 -0.913 5.011 1.00 0.00 H new ATOM 436 N LYS A 30 12.817 -2.211 5.175 1.00 0.00 N ATOM 437 CA LYS A 30 11.915 -2.972 6.037 1.00 0.00 C ATOM 438 C LYS A 30 11.396 -4.211 5.329 1.00 0.00 C ATOM 439 O LYS A 30 11.127 -4.180 4.128 1.00 0.00 O ATOM 440 CB LYS A 30 10.722 -2.123 6.462 1.00 0.00 C ATOM 441 CG LYS A 30 11.110 -0.746 6.933 1.00 0.00 C ATOM 442 CD LYS A 30 10.111 0.299 6.470 1.00 0.00 C ATOM 443 CE LYS A 30 10.432 1.675 7.030 1.00 0.00 C ATOM 444 NZ LYS A 30 9.315 2.217 7.854 1.00 0.00 N ATOM 0 H LYS A 30 12.492 -2.101 4.215 1.00 0.00 H new ATOM 0 HA LYS A 30 12.488 -3.268 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.032 -2.032 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.186 -2.635 7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.172 -0.736 8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.102 -0.496 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.108 0.342 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.108 0.005 6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.336 1.618 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.643 2.360 6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.700 2.826 8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.676 2.773 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.788 1.431 8.284 1.00 0.00 H new ATOM 458 N GLU A 31 11.218 -5.291 6.078 1.00 0.00 N ATOM 459 CA GLU A 31 10.687 -6.509 5.496 1.00 0.00 C ATOM 460 C GLU A 31 9.237 -6.265 5.106 1.00 0.00 C ATOM 461 O GLU A 31 8.366 -6.141 5.967 1.00 0.00 O ATOM 462 CB GLU A 31 10.783 -7.670 6.488 1.00 0.00 C ATOM 463 CG GLU A 31 10.283 -8.992 5.929 1.00 0.00 C ATOM 464 CD GLU A 31 11.158 -10.163 6.328 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.230 -9.927 6.926 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.773 -11.317 6.044 1.00 0.00 O ATOM 0 H GLU A 31 11.431 -5.346 7.074 1.00 0.00 H new ATOM 0 HA GLU A 31 11.270 -6.777 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.821 -7.786 6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.209 -7.422 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.266 -9.168 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.240 -8.929 4.842 1.00 0.00 H new ATOM 473 N GLY A 32 8.987 -6.171 3.809 1.00 0.00 N ATOM 474 CA GLY A 32 7.645 -5.911 3.339 1.00 0.00 C ATOM 475 C GLY A 32 7.169 -4.521 3.717 1.00 0.00 C ATOM 476 O GLY A 32 5.999 -4.332 4.047 1.00 0.00 O ATOM 0 H GLY A 32 9.689 -6.270 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.613 -6.023 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.965 -6.653 3.757 1.00 0.00 H new ATOM 480 N ALA A 33 8.072 -3.538 3.662 1.00 0.00 N ATOM 481 CA ALA A 33 7.709 -2.171 3.997 1.00 0.00 C ATOM 482 C ALA A 33 6.512 -1.753 3.170 1.00 0.00 C ATOM 483 O ALA A 33 6.463 -1.998 1.963 1.00 0.00 O ATOM 484 CB ALA A 33 8.872 -1.225 3.777 1.00 0.00 C ATOM 0 H ALA A 33 9.047 -3.667 3.391 1.00 0.00 H new ATOM 0 HA ALA A 33 7.449 -2.125 5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.570 -0.210 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.710 -1.526 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.174 -1.257 2.730 1.00 0.00 H new ATOM 490 N PHE A 34 5.532 -1.161 3.828 1.00 0.00 N ATOM 491 CA PHE A 34 4.317 -0.758 3.156 1.00 0.00 C ATOM 492 C PHE A 34 4.039 0.728 3.255 1.00 0.00 C ATOM 493 O PHE A 34 4.274 1.354 4.279 1.00 0.00 O ATOM 494 CB PHE A 34 3.146 -1.492 3.759 1.00 0.00 C ATOM 495 CG PHE A 34 1.867 -0.746 3.562 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.360 -0.568 2.289 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.158 -0.238 4.632 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.177 0.108 2.088 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.016 0.425 4.433 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.512 0.608 3.165 1.00 0.00 C ATOM 0 H PHE A 34 5.556 -0.950 4.826 1.00 0.00 H new ATOM 0 HA PHE A 34 4.453 -1.002 2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.064 -2.481 3.307 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.320 -1.642 4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.898 -0.964 1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.537 -0.367 5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.207 0.244 1.088 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.562 0.811 5.281 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.439 1.142 3.016 1.00 0.00 H new ATOM 510 N MET A 35 3.491 1.271 2.185 1.00 0.00 N ATOM 511 CA MET A 35 3.127 2.672 2.145 1.00 0.00 C ATOM 512 C MET A 35 1.934 2.865 1.225 1.00 0.00 C ATOM 513 O MET A 35 1.529 1.940 0.523 1.00 0.00 O ATOM 514 CB MET A 35 4.306 3.521 1.682 1.00 0.00 C ATOM 515 CG MET A 35 4.042 5.008 1.734 1.00 0.00 C ATOM 516 SD MET A 35 5.222 5.943 0.767 1.00 0.00 S ATOM 517 CE MET A 35 6.624 5.791 1.852 1.00 0.00 C ATOM 0 H MET A 35 3.288 0.758 1.327 1.00 0.00 H new ATOM 0 HA MET A 35 2.855 2.995 3.150 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.172 3.293 2.303 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.564 3.242 0.660 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.035 5.209 1.367 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.077 5.345 2.770 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.286 6.645 1.712 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.282 5.762 2.887 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.164 4.872 1.623 1.00 0.00 H new ATOM 527 N VAL A 36 1.371 4.060 1.229 1.00 0.00 N ATOM 528 CA VAL A 36 0.219 4.351 0.384 1.00 0.00 C ATOM 529 C VAL A 36 0.281 5.762 -0.169 1.00 0.00 C ATOM 530 O VAL A 36 0.848 6.660 0.447 1.00 0.00 O ATOM 531 CB VAL A 36 -1.110 4.153 1.129 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.284 4.591 0.266 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.256 2.700 1.540 1.00 0.00 C ATOM 0 H VAL A 36 1.687 4.842 1.802 1.00 0.00 H new ATOM 0 HA VAL A 36 0.259 3.641 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.107 4.774 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.214 4.442 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.177 5.646 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.303 4.000 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.200 2.564 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.243 2.068 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.430 2.423 2.195 1.00 0.00 H new ATOM 543 N ARG A 37 -0.297 5.944 -1.346 1.00 0.00 N ATOM 544 CA ARG A 37 -0.298 7.243 -1.991 1.00 0.00 C ATOM 545 C ARG A 37 -1.573 7.452 -2.799 1.00 0.00 C ATOM 546 O ARG A 37 -1.930 6.637 -3.648 1.00 0.00 O ATOM 547 CB ARG A 37 0.945 7.371 -2.870 1.00 0.00 C ATOM 548 CG ARG A 37 0.701 7.138 -4.346 1.00 0.00 C ATOM 549 CD ARG A 37 1.688 6.122 -4.893 1.00 0.00 C ATOM 550 NE ARG A 37 1.999 6.345 -6.303 1.00 0.00 N ATOM 551 CZ ARG A 37 1.082 6.551 -7.245 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.207 6.546 -6.937 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.456 6.757 -8.500 1.00 0.00 N ATOM 0 H ARG A 37 -0.770 5.209 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.272 8.021 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.366 8.368 -2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.694 6.660 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.318 6.784 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.798 8.078 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.608 6.165 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.278 5.120 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 37 2.980 6.343 -6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.501 6.384 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.905 6.705 -7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.447 6.758 -8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.753 6.915 -9.222 1.00 0.00 H new ATOM 567 N ASP A 38 -2.268 8.547 -2.506 1.00 0.00 N ATOM 568 CA ASP A 38 -3.518 8.869 -3.182 1.00 0.00 C ATOM 569 C ASP A 38 -3.328 8.964 -4.691 1.00 0.00 C ATOM 570 O ASP A 38 -2.264 9.352 -5.174 1.00 0.00 O ATOM 571 CB ASP A 38 -4.091 10.181 -2.644 1.00 0.00 C ATOM 572 CG ASP A 38 -5.535 10.393 -3.056 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.385 9.555 -2.689 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.815 11.397 -3.743 1.00 0.00 O ATOM 0 H ASP A 38 -1.984 9.228 -1.802 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.221 8.061 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.022 10.185 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.487 11.013 -3.005 1.00 0.00 H new ATOM 579 N SER A 39 -4.372 8.602 -5.428 1.00 0.00 N ATOM 580 CA SER A 39 -4.336 8.639 -6.882 1.00 0.00 C ATOM 581 C SER A 39 -5.667 9.133 -7.445 1.00 0.00 C ATOM 582 O SER A 39 -6.727 8.854 -6.888 1.00 0.00 O ATOM 583 CB SER A 39 -4.025 7.248 -7.434 1.00 0.00 C ATOM 584 OG SER A 39 -4.320 7.168 -8.817 1.00 0.00 O ATOM 0 H SER A 39 -5.257 8.278 -5.038 1.00 0.00 H new ATOM 0 HA SER A 39 -3.552 9.332 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.973 7.016 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.605 6.501 -6.892 1.00 0.00 H new ATOM 0 HG SER A 39 -3.965 6.329 -9.179 1.00 0.00 H new ATOM 590 N ARG A 40 -5.603 9.863 -8.554 1.00 0.00 N ATOM 591 CA ARG A 40 -6.806 10.386 -9.192 1.00 0.00 C ATOM 592 C ARG A 40 -7.694 9.247 -9.681 1.00 0.00 C ATOM 593 O ARG A 40 -8.789 9.473 -10.197 1.00 0.00 O ATOM 594 CB ARG A 40 -6.434 11.299 -10.362 1.00 0.00 C ATOM 595 CG ARG A 40 -6.992 12.707 -10.238 1.00 0.00 C ATOM 596 CD ARG A 40 -7.473 13.236 -11.579 1.00 0.00 C ATOM 597 NE ARG A 40 -7.263 14.675 -11.706 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.078 15.261 -11.568 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.004 14.532 -11.297 1.00 0.00 N ATOM 600 NH2 ARG A 40 -5.967 16.576 -11.699 1.00 0.00 N ATOM 0 H ARG A 40 -4.733 10.105 -9.029 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.359 10.966 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.348 11.353 -10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.797 10.854 -11.289 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.818 12.711 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.224 13.370 -9.838 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.946 12.720 -12.382 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.533 13.012 -11.698 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.070 15.263 -11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.087 13.521 -11.194 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.095 14.983 -11.191 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.792 17.139 -11.906 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.057 17.024 -11.593 1.00 0.00 H new ATOM 614 N THR A 41 -7.208 8.022 -9.514 1.00 0.00 N ATOM 615 CA THR A 41 -7.944 6.835 -9.933 1.00 0.00 C ATOM 616 C THR A 41 -9.410 6.918 -9.508 1.00 0.00 C ATOM 617 O THR A 41 -9.883 7.969 -9.075 1.00 0.00 O ATOM 618 CB THR A 41 -7.289 5.585 -9.342 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.318 4.515 -10.268 1.00 0.00 O ATOM 620 CG2 THR A 41 -7.945 5.108 -8.064 1.00 0.00 C ATOM 0 H THR A 41 -6.302 7.825 -9.089 1.00 0.00 H new ATOM 0 HA THR A 41 -7.914 6.776 -11.021 1.00 0.00 H new ATOM 0 HB THR A 41 -6.265 5.880 -9.114 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.893 3.727 -9.870 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.430 4.219 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.888 5.894 -7.311 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.990 4.868 -8.259 1.00 0.00 H new ATOM 628 N PRO A 42 -10.152 5.805 -9.640 1.00 0.00 N ATOM 629 CA PRO A 42 -11.576 5.745 -9.281 1.00 0.00 C ATOM 630 C PRO A 42 -11.885 6.304 -7.890 1.00 0.00 C ATOM 631 O PRO A 42 -13.029 6.258 -7.441 1.00 0.00 O ATOM 632 CB PRO A 42 -11.884 4.249 -9.332 1.00 0.00 C ATOM 633 CG PRO A 42 -10.921 3.706 -10.327 1.00 0.00 C ATOM 634 CD PRO A 42 -9.664 4.515 -10.163 1.00 0.00 C ATOM 0 HA PRO A 42 -12.179 6.355 -9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.752 3.783 -8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -12.915 4.066 -9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.731 2.647 -10.150 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.314 3.794 -11.340 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.968 4.039 -9.473 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.139 4.638 -11.110 1.00 0.00 H new ATOM 642 N GLY A 43 -10.871 6.834 -7.210 1.00 0.00 N ATOM 643 CA GLY A 43 -11.089 7.387 -5.886 1.00 0.00 C ATOM 644 C GLY A 43 -10.408 6.592 -4.791 1.00 0.00 C ATOM 645 O GLY A 43 -10.742 6.736 -3.614 1.00 0.00 O ATOM 0 H GLY A 43 -9.911 6.890 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.723 8.414 -5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.160 7.426 -5.687 1.00 0.00 H new ATOM 649 N THR A 44 -9.457 5.749 -5.172 1.00 0.00 N ATOM 650 CA THR A 44 -8.740 4.931 -4.204 1.00 0.00 C ATOM 651 C THR A 44 -7.403 5.551 -3.823 1.00 0.00 C ATOM 652 O THR A 44 -7.174 6.745 -4.014 1.00 0.00 O ATOM 653 CB THR A 44 -8.496 3.524 -4.751 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.123 3.188 -4.651 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.894 3.343 -6.198 1.00 0.00 C ATOM 0 H THR A 44 -9.166 5.614 -6.140 1.00 0.00 H new ATOM 0 HA THR A 44 -9.368 4.875 -3.315 1.00 0.00 H new ATOM 0 HB THR A 44 -9.125 2.875 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.912 2.480 -5.295 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.688 2.318 -6.506 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.958 3.549 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.323 4.031 -6.821 1.00 0.00 H new ATOM 663 N TYR A 45 -6.524 4.713 -3.287 1.00 0.00 N ATOM 664 CA TYR A 45 -5.197 5.136 -2.874 1.00 0.00 C ATOM 665 C TYR A 45 -4.150 4.127 -3.334 1.00 0.00 C ATOM 666 O TYR A 45 -4.470 2.972 -3.617 1.00 0.00 O ATOM 667 CB TYR A 45 -5.141 5.298 -1.355 1.00 0.00 C ATOM 668 CG TYR A 45 -6.289 6.100 -0.793 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.579 5.593 -0.814 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.086 7.359 -0.246 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.639 6.316 -0.305 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.140 8.092 0.267 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.415 7.565 0.234 1.00 0.00 C ATOM 674 OH TYR A 45 -9.468 8.290 0.743 1.00 0.00 O ATOM 0 H TYR A 45 -6.713 3.723 -3.128 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.981 6.099 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.137 4.311 -0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.203 5.782 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.758 4.615 -1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.089 7.773 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.638 5.906 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.967 9.070 0.691 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.363 9.234 0.501 1.00 0.00 H new ATOM 684 N THR A 46 -2.900 4.563 -3.410 1.00 0.00 N ATOM 685 CA THR A 46 -1.813 3.688 -3.835 1.00 0.00 C ATOM 686 C THR A 46 -1.092 3.109 -2.620 1.00 0.00 C ATOM 687 O THR A 46 -1.098 3.714 -1.551 1.00 0.00 O ATOM 688 CB THR A 46 -0.830 4.459 -4.710 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.522 5.233 -5.674 1.00 0.00 O ATOM 690 CG2 THR A 46 0.133 3.557 -5.449 1.00 0.00 C ATOM 0 H THR A 46 -2.613 5.515 -3.184 1.00 0.00 H new ATOM 0 HA THR A 46 -2.233 2.867 -4.416 1.00 0.00 H new ATOM 0 HB THR A 46 -0.263 5.094 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.067 5.910 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.807 4.163 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.713 2.977 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.426 2.880 -6.095 1.00 0.00 H new ATOM 698 N VAL A 47 -0.478 1.936 -2.781 1.00 0.00 N ATOM 699 CA VAL A 47 0.231 1.293 -1.679 1.00 0.00 C ATOM 700 C VAL A 47 1.672 0.959 -2.044 1.00 0.00 C ATOM 701 O VAL A 47 1.928 0.104 -2.891 1.00 0.00 O ATOM 702 CB VAL A 47 -0.465 -0.007 -1.228 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.472 -0.835 -0.358 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.757 0.302 -0.487 1.00 0.00 C ATOM 0 H VAL A 47 -0.458 1.416 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 47 0.221 2.016 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.716 -0.589 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.033 -1.750 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.366 -1.090 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.754 -0.259 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.231 -0.630 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.536 0.906 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.431 0.852 -1.144 1.00 0.00 H new ATOM 714 N SER A 48 2.609 1.618 -1.375 1.00 0.00 N ATOM 715 CA SER A 48 4.025 1.371 -1.601 1.00 0.00 C ATOM 716 C SER A 48 4.480 0.215 -0.714 1.00 0.00 C ATOM 717 O SER A 48 4.546 0.352 0.508 1.00 0.00 O ATOM 718 CB SER A 48 4.846 2.624 -1.284 1.00 0.00 C ATOM 719 OG SER A 48 4.009 3.757 -1.127 1.00 0.00 O ATOM 0 H SER A 48 2.412 2.329 -0.670 1.00 0.00 H new ATOM 0 HA SER A 48 4.179 1.115 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.422 2.464 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.562 2.805 -2.085 1.00 0.00 H new ATOM 0 HG SER A 48 4.501 4.465 -0.660 1.00 0.00 H new ATOM 725 N VAL A 49 4.773 -0.924 -1.325 1.00 0.00 N ATOM 726 CA VAL A 49 5.202 -2.100 -0.577 1.00 0.00 C ATOM 727 C VAL A 49 6.555 -2.600 -1.072 1.00 0.00 C ATOM 728 O VAL A 49 6.726 -2.875 -2.260 1.00 0.00 O ATOM 729 CB VAL A 49 4.167 -3.235 -0.688 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.775 -2.667 -0.912 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.544 -4.188 -1.811 1.00 0.00 C ATOM 0 H VAL A 49 4.722 -1.060 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 49 5.293 -1.803 0.468 1.00 0.00 H new ATOM 0 HB VAL A 49 4.162 -3.792 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.057 -3.483 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.506 -2.023 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.763 -2.086 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.803 -4.984 -1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.576 -3.644 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.524 -4.620 -1.608 1.00 0.00 H new ATOM 741 N PHE A 50 7.520 -2.710 -0.160 1.00 0.00 N ATOM 742 CA PHE A 50 8.855 -3.171 -0.528 1.00 0.00 C ATOM 743 C PHE A 50 9.466 -4.067 0.551 1.00 0.00 C ATOM 744 O PHE A 50 9.274 -3.845 1.754 1.00 0.00 O ATOM 745 CB PHE A 50 9.756 -1.968 -0.823 1.00 0.00 C ATOM 746 CG PHE A 50 10.837 -1.726 0.185 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.524 -1.421 1.497 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.169 -1.773 -0.190 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.521 -1.166 2.419 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.171 -1.524 0.725 1.00 0.00 C ATOM 751 CZ PHE A 50 12.846 -1.218 2.032 1.00 0.00 C ATOM 0 H PHE A 50 7.403 -2.488 0.829 1.00 0.00 H new ATOM 0 HA PHE A 50 8.769 -3.778 -1.429 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.216 -2.109 -1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.135 -1.075 -0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.489 -1.382 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.427 -2.008 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.265 -0.926 3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.206 -1.568 0.420 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.627 -1.020 2.751 1.00 0.00 H new ATOM 761 N THR A 51 10.193 -5.092 0.102 1.00 0.00 N ATOM 762 CA THR A 51 10.831 -6.043 1.007 1.00 0.00 C ATOM 763 C THR A 51 12.257 -6.344 0.581 1.00 0.00 C ATOM 764 O THR A 51 12.481 -7.125 -0.344 1.00 0.00 O ATOM 765 CB THR A 51 10.048 -7.353 1.025 1.00 0.00 C ATOM 766 OG1 THR A 51 8.899 -7.252 1.843 1.00 0.00 O ATOM 767 CG2 THR A 51 10.866 -8.527 1.516 1.00 0.00 C ATOM 0 H THR A 51 10.353 -5.283 -0.887 1.00 0.00 H new ATOM 0 HA THR A 51 10.843 -5.591 1.999 1.00 0.00 H new ATOM 0 HB THR A 51 9.767 -7.532 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.912 -7.966 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.253 -9.428 1.505 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.729 -8.667 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.207 -8.333 2.533 1.00 0.00 H new ATOM 775 N LYS A 52 13.223 -5.746 1.261 1.00 0.00 N ATOM 776 CA LYS A 52 14.612 -5.992 0.937 1.00 0.00 C ATOM 777 C LYS A 52 14.779 -7.399 0.366 1.00 0.00 C ATOM 778 O LYS A 52 14.706 -8.394 1.084 1.00 0.00 O ATOM 779 CB LYS A 52 15.489 -5.822 2.178 1.00 0.00 C ATOM 780 CG LYS A 52 14.838 -6.324 3.457 1.00 0.00 C ATOM 781 CD LYS A 52 14.615 -7.827 3.416 1.00 0.00 C ATOM 782 CE LYS A 52 14.350 -8.388 4.803 1.00 0.00 C ATOM 783 NZ LYS A 52 15.510 -9.168 5.318 1.00 0.00 N ATOM 0 H LYS A 52 13.070 -5.095 2.031 1.00 0.00 H new ATOM 0 HA LYS A 52 14.926 -5.266 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.428 -6.354 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.736 -4.767 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.468 -6.072 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.884 -5.817 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.772 -8.053 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.490 -8.314 2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.129 -7.570 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.467 -9.027 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.289 -9.533 6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.705 -9.963 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.347 -8.552 5.371 1.00 0.00 H new ATOM 797 N ALA A 53 15.011 -7.452 -0.941 1.00 0.00 N ATOM 798 CA ALA A 53 15.202 -8.713 -1.640 1.00 0.00 C ATOM 799 C ALA A 53 15.455 -8.487 -3.126 1.00 0.00 C ATOM 800 O ALA A 53 15.076 -7.457 -3.681 1.00 0.00 O ATOM 801 CB ALA A 53 13.993 -9.611 -1.437 1.00 0.00 C ATOM 0 H ALA A 53 15.071 -6.628 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 53 16.082 -9.204 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.146 -10.552 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.861 -9.808 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.103 -9.117 -1.828 1.00 0.00 H new ATOM 807 N ILE A 54 16.096 -9.461 -3.765 1.00 0.00 N ATOM 808 CA ILE A 54 16.398 -9.370 -5.188 1.00 0.00 C ATOM 809 C ILE A 54 17.706 -8.624 -5.425 1.00 0.00 C ATOM 810 O ILE A 54 17.706 -7.481 -5.880 1.00 0.00 O ATOM 811 CB ILE A 54 15.268 -8.661 -5.956 1.00 0.00 C ATOM 812 CG1 ILE A 54 13.927 -9.342 -5.678 1.00 0.00 C ATOM 813 CG2 ILE A 54 15.566 -8.652 -7.448 1.00 0.00 C ATOM 814 CD1 ILE A 54 12.988 -8.505 -4.838 1.00 0.00 C ATOM 0 H ILE A 54 16.416 -10.321 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 54 16.494 -10.391 -5.558 1.00 0.00 H new ATOM 0 HB ILE A 54 15.207 -7.629 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.443 -9.575 -6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.108 -10.290 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 54 14.758 -8.147 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 54 16.503 -8.125 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 54 15.651 -9.677 -7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.057 -9.050 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.452 -8.294 -3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.777 -7.568 -5.353 1.00 0.00 H new ATOM 826 N ILE A 55 18.820 -9.279 -5.115 1.00 0.00 N ATOM 827 CA ILE A 55 20.135 -8.677 -5.295 1.00 0.00 C ATOM 828 C ILE A 55 20.216 -7.912 -6.612 1.00 0.00 C ATOM 829 O ILE A 55 20.916 -6.904 -6.713 1.00 0.00 O ATOM 830 CB ILE A 55 21.250 -9.741 -5.265 1.00 0.00 C ATOM 831 CG1 ILE A 55 21.205 -10.519 -3.948 1.00 0.00 C ATOM 832 CG2 ILE A 55 22.611 -9.090 -5.457 1.00 0.00 C ATOM 833 CD1 ILE A 55 21.107 -9.633 -2.725 1.00 0.00 C ATOM 0 H ILE A 55 18.838 -10.227 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 55 20.280 -7.985 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 55 21.087 -10.440 -6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 55 20.352 -11.197 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.100 -11.136 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.387 -9.855 -5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.637 -8.577 -6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.786 -8.371 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.079 -10.252 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.973 -8.973 -2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.197 -9.035 -2.781 1.00 0.00 H new ATOM 845 N SER A 56 19.499 -8.398 -7.619 1.00 0.00 N ATOM 846 CA SER A 56 19.490 -7.759 -8.930 1.00 0.00 C ATOM 847 C SER A 56 18.804 -6.399 -8.869 1.00 0.00 C ATOM 848 O SER A 56 18.796 -5.653 -9.848 1.00 0.00 O ATOM 849 CB SER A 56 18.786 -8.654 -9.951 1.00 0.00 C ATOM 850 OG SER A 56 18.809 -10.011 -9.544 1.00 0.00 O ATOM 0 H SER A 56 18.916 -9.233 -7.553 1.00 0.00 H new ATOM 0 HA SER A 56 20.524 -7.609 -9.240 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.754 -8.326 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.271 -8.554 -10.922 1.00 0.00 H new ATOM 0 HG SER A 56 18.351 -10.561 -10.213 1.00 0.00 H new ATOM 856 N GLU A 57 18.228 -6.082 -7.714 1.00 0.00 N ATOM 857 CA GLU A 57 17.539 -4.811 -7.527 1.00 0.00 C ATOM 858 C GLU A 57 16.990 -4.693 -6.107 1.00 0.00 C ATOM 859 O GLU A 57 15.981 -4.030 -5.870 1.00 0.00 O ATOM 860 CB GLU A 57 16.409 -4.669 -8.549 1.00 0.00 C ATOM 861 CG GLU A 57 15.041 -4.450 -7.925 1.00 0.00 C ATOM 862 CD GLU A 57 13.915 -4.557 -8.934 1.00 0.00 C ATOM 863 OE1 GLU A 57 14.194 -4.900 -10.102 1.00 0.00 O ATOM 864 OE2 GLU A 57 12.753 -4.300 -8.556 1.00 0.00 O ATOM 0 H GLU A 57 18.225 -6.688 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 57 18.257 -4.005 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.634 -3.833 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.376 -5.566 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.885 -5.183 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.013 -3.466 -7.458 1.00 0.00 H new ATOM 871 N ASN A 58 17.666 -5.340 -5.165 1.00 0.00 N ATOM 872 CA ASN A 58 17.251 -5.309 -3.768 1.00 0.00 C ATOM 873 C ASN A 58 17.730 -4.030 -3.086 1.00 0.00 C ATOM 874 O ASN A 58 18.780 -3.490 -3.431 1.00 0.00 O ATOM 875 CB ASN A 58 17.796 -6.530 -3.025 1.00 0.00 C ATOM 876 CG ASN A 58 18.826 -6.158 -1.976 1.00 0.00 C ATOM 877 OD1 ASN A 58 19.904 -5.661 -2.298 1.00 0.00 O ATOM 878 ND2 ASN A 58 18.497 -6.396 -0.712 1.00 0.00 N ATOM 0 H ASN A 58 18.504 -5.893 -5.343 1.00 0.00 H new ATOM 0 HA ASN A 58 16.162 -5.330 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.971 -7.059 -2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 58 18.244 -7.218 -3.742 1.00 0.00 H new ATOM 0 HD21 ASN A 58 19.150 -6.165 0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 58 17.592 -6.810 -0.490 1.00 0.00 H new ATOM 885 N PRO A 59 16.961 -3.528 -2.107 1.00 0.00 N ATOM 886 CA PRO A 59 15.704 -4.154 -1.678 1.00 0.00 C ATOM 887 C PRO A 59 14.662 -4.202 -2.794 1.00 0.00 C ATOM 888 O PRO A 59 14.948 -3.849 -3.938 1.00 0.00 O ATOM 889 CB PRO A 59 15.223 -3.260 -0.529 1.00 0.00 C ATOM 890 CG PRO A 59 15.942 -1.968 -0.713 1.00 0.00 C ATOM 891 CD PRO A 59 17.261 -2.310 -1.342 1.00 0.00 C ATOM 0 HA PRO A 59 15.853 -5.194 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.143 -3.118 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.453 -3.705 0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.371 -1.292 -1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.085 -1.463 0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.620 -1.508 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.032 -2.485 -0.592 1.00 0.00 H new ATOM 899 N CYS A 60 13.457 -4.655 -2.456 1.00 0.00 N ATOM 900 CA CYS A 60 12.377 -4.766 -3.433 1.00 0.00 C ATOM 901 C CYS A 60 11.192 -3.880 -3.067 1.00 0.00 C ATOM 902 O CYS A 60 10.748 -3.868 -1.920 1.00 0.00 O ATOM 903 CB CYS A 60 11.911 -6.219 -3.534 1.00 0.00 C ATOM 904 SG CYS A 60 10.998 -6.597 -5.049 1.00 0.00 S ATOM 0 H CYS A 60 13.204 -4.951 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 60 12.768 -4.432 -4.394 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.781 -6.873 -3.474 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.280 -6.448 -2.675 1.00 0.00 H new ATOM 0 HG CYS A 60 11.746 -6.343 -6.081 1.00 0.00 H new ATOM 910 N ILE A 61 10.670 -3.154 -4.055 1.00 0.00 N ATOM 911 CA ILE A 61 9.521 -2.282 -3.837 1.00 0.00 C ATOM 912 C ILE A 61 8.412 -2.565 -4.837 1.00 0.00 C ATOM 913 O ILE A 61 8.667 -2.948 -5.980 1.00 0.00 O ATOM 914 CB ILE A 61 9.885 -0.787 -3.934 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.395 -0.596 -4.058 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.348 -0.038 -2.724 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.109 -0.595 -2.727 1.00 0.00 C ATOM 0 H ILE A 61 11.025 -3.154 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 61 9.179 -2.498 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 61 9.423 -0.380 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.805 -1.391 -4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.594 0.345 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.611 1.017 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.263 -0.140 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.784 -0.454 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.178 -0.455 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.726 0.217 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.939 -1.546 -2.222 1.00 0.00 H new ATOM 929 N LYS A 62 7.181 -2.355 -4.397 1.00 0.00 N ATOM 930 CA LYS A 62 6.014 -2.564 -5.239 1.00 0.00 C ATOM 931 C LYS A 62 4.928 -1.568 -4.877 1.00 0.00 C ATOM 932 O LYS A 62 4.732 -1.251 -3.704 1.00 0.00 O ATOM 933 CB LYS A 62 5.474 -3.982 -5.078 1.00 0.00 C ATOM 934 CG LYS A 62 4.766 -4.508 -6.315 1.00 0.00 C ATOM 935 CD LYS A 62 4.922 -6.013 -6.450 1.00 0.00 C ATOM 936 CE LYS A 62 4.182 -6.543 -7.668 1.00 0.00 C ATOM 937 NZ LYS A 62 2.705 -6.449 -7.506 1.00 0.00 N ATOM 0 H LYS A 62 6.964 -2.037 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 62 6.314 -2.419 -6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.299 -4.650 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.782 -4.005 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.707 -4.254 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.169 -4.019 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.980 -6.265 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.543 -6.501 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.487 -5.981 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.463 -7.582 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.247 -7.205 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.459 -6.551 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.376 -5.525 -7.851 1.00 0.00 H new ATOM 951 N HIS A 63 4.221 -1.077 -5.880 1.00 0.00 N ATOM 952 CA HIS A 63 3.157 -0.124 -5.644 1.00 0.00 C ATOM 953 C HIS A 63 1.800 -0.772 -5.857 1.00 0.00 C ATOM 954 O HIS A 63 1.403 -1.058 -6.987 1.00 0.00 O ATOM 955 CB HIS A 63 3.311 1.075 -6.577 1.00 0.00 C ATOM 956 CG HIS A 63 4.566 1.856 -6.353 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.745 2.745 -5.317 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.723 1.870 -7.062 1.00 0.00 C ATOM 959 CE1 HIS A 63 5.977 3.261 -5.427 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.611 2.763 -6.470 1.00 0.00 N ATOM 0 H HIS A 63 4.365 -1.322 -6.860 1.00 0.00 H new ATOM 0 HA HIS A 63 3.222 0.215 -4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.291 0.725 -7.609 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.454 1.737 -6.448 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.062 2.971 -4.594 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.923 1.282 -7.945 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.396 3.990 -4.749 1.00 0.00 H new ATOM 968 N TYR A 64 1.088 -0.993 -4.763 1.00 0.00 N ATOM 969 CA TYR A 64 -0.230 -1.597 -4.819 1.00 0.00 C ATOM 970 C TYR A 64 -1.308 -0.541 -4.696 1.00 0.00 C ATOM 971 O TYR A 64 -1.379 0.173 -3.696 1.00 0.00 O ATOM 972 CB TYR A 64 -0.387 -2.623 -3.709 1.00 0.00 C ATOM 973 CG TYR A 64 0.433 -3.853 -3.960 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.814 -3.797 -3.905 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.168 -5.062 -4.272 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.577 -4.913 -4.151 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.589 -6.187 -4.518 1.00 0.00 C ATOM 978 CZ TYR A 64 1.963 -6.109 -4.457 1.00 0.00 C ATOM 979 OH TYR A 64 2.726 -7.227 -4.702 1.00 0.00 O ATOM 0 H TYR A 64 1.405 -0.761 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.336 -2.094 -5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.091 -2.178 -2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.437 -2.900 -3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.300 -2.863 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.245 -5.124 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.654 -4.853 -4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.108 -7.124 -4.757 1.00 0.00 H new ATOM 0 HH TYR A 64 2.176 -7.908 -5.144 1.00 0.00 H new ATOM 989 N HIS A 65 -2.154 -0.441 -5.706 1.00 0.00 N ATOM 990 CA HIS A 65 -3.227 0.530 -5.671 1.00 0.00 C ATOM 991 C HIS A 65 -4.466 -0.089 -5.070 1.00 0.00 C ATOM 992 O HIS A 65 -4.750 -1.267 -5.279 1.00 0.00 O ATOM 993 CB HIS A 65 -3.544 1.076 -7.055 1.00 0.00 C ATOM 994 CG HIS A 65 -3.872 2.522 -7.020 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.886 3.261 -5.867 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.198 3.371 -8.017 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.212 4.512 -6.189 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.413 4.636 -7.487 1.00 0.00 N ATOM 0 H HIS A 65 -2.118 -1.013 -6.549 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.895 1.364 -5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.690 0.914 -7.713 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.383 0.524 -7.479 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.683 2.915 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.279 3.108 -9.061 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.300 5.321 -5.479 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.207 0.708 -4.325 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.420 0.214 -3.704 1.00 0.00 C ATOM 1008 C ILE A 66 -7.580 0.305 -4.682 1.00 0.00 C ATOM 1009 O ILE A 66 -8.099 1.382 -4.949 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.769 0.992 -2.416 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.513 1.606 -1.797 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.448 0.078 -1.410 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.243 0.853 -2.126 1.00 0.00 C ATOM 0 H ILE A 66 -4.994 1.688 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.245 -0.826 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.455 1.796 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.414 2.635 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.633 1.643 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.687 0.643 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.366 -0.321 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.779 -0.744 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.394 1.347 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.320 -0.170 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.098 0.838 -3.206 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.985 -0.834 -5.215 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.084 -0.873 -6.159 1.00 0.00 C ATOM 1027 C LYS A 67 -10.391 -0.579 -5.437 1.00 0.00 C ATOM 1028 O LYS A 67 -10.564 -0.974 -4.282 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.148 -2.234 -6.853 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.052 -2.253 -8.074 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.642 -1.196 -9.087 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.133 -1.007 -9.114 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.411 -2.308 -9.081 1.00 0.00 N ATOM 0 H LYS A 67 -7.569 -1.742 -5.010 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.922 -0.112 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.142 -2.528 -7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.499 -2.980 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.016 -3.238 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.084 -2.083 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.992 -1.485 -10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.124 -0.250 -8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.852 -0.458 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.828 -0.400 -8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.895 -2.396 -8.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.095 -3.087 -9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.737 -2.351 -9.872 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.295 0.123 -6.121 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.589 0.495 -5.551 1.00 0.00 C ATOM 1049 C GLU A 68 -13.727 -0.187 -6.307 1.00 0.00 C ATOM 1050 O GLU A 68 -13.715 -0.241 -7.536 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.772 2.016 -5.625 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.150 2.776 -4.464 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.092 3.809 -3.879 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.322 3.619 -3.983 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.600 4.810 -3.317 1.00 0.00 O ATOM 0 H GLU A 68 -11.152 0.447 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.612 0.171 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.337 2.378 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.838 2.241 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.860 2.071 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.239 3.269 -4.803 1.00 0.00 H new ATOM 1062 N THR A 69 -14.712 -0.707 -5.573 1.00 0.00 N ATOM 1063 CA THR A 69 -15.844 -1.378 -6.202 1.00 0.00 C ATOM 1064 C THR A 69 -17.125 -1.157 -5.405 1.00 0.00 C ATOM 1065 O THR A 69 -17.290 -1.710 -4.318 1.00 0.00 O ATOM 1066 CB THR A 69 -15.566 -2.876 -6.334 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.749 -3.626 -6.126 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.526 -3.379 -5.358 1.00 0.00 C ATOM 0 H THR A 69 -14.747 -0.676 -4.554 1.00 0.00 H new ATOM 0 HA THR A 69 -15.979 -0.949 -7.195 1.00 0.00 H new ATOM 0 HB THR A 69 -15.186 -3.011 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.551 -4.581 -6.216 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.376 -4.449 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.585 -2.855 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.866 -3.197 -4.338 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.031 -0.350 -5.954 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.298 -0.069 -5.288 1.00 0.00 C ATOM 1078 C ASN A 70 -19.616 -1.162 -4.277 1.00 0.00 C ATOM 1079 O ASN A 70 -20.359 -2.098 -4.571 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.427 0.041 -6.314 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.005 0.796 -7.560 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.181 0.162 -8.385 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -20.416 1.936 -7.776 1.00 0.00 N flip ATOM 0 H ASN A 70 -17.911 0.117 -6.853 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.209 0.882 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.759 -0.959 -6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.280 0.544 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.049 2.384 -7.113 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -20.124 2.432 -8.618 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.031 -1.044 -3.089 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.230 -2.027 -2.034 1.00 0.00 C ATOM 1092 C ASP A 71 -20.027 -3.217 -2.543 1.00 0.00 C ATOM 1093 O ASP A 71 -21.218 -3.108 -2.839 1.00 0.00 O ATOM 1094 CB ASP A 71 -19.929 -1.403 -0.830 1.00 0.00 C ATOM 1095 CG ASP A 71 -21.435 -1.561 -0.888 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -22.054 -1.010 -1.822 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -21.996 -2.235 0.002 1.00 0.00 O ATOM 0 H ASP A 71 -18.413 -0.273 -2.834 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.247 -2.377 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.553 -1.864 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.680 -0.343 -0.778 1.00 0.00 H new ATOM 1102 N SER A 72 -19.353 -4.351 -2.644 1.00 0.00 N ATOM 1103 CA SER A 72 -19.973 -5.580 -3.120 1.00 0.00 C ATOM 1104 C SER A 72 -18.916 -6.652 -3.351 1.00 0.00 C ATOM 1105 O SER A 72 -18.588 -6.982 -4.491 1.00 0.00 O ATOM 1106 CB SER A 72 -20.748 -5.319 -4.413 1.00 0.00 C ATOM 1107 OG SER A 72 -19.919 -4.720 -5.394 1.00 0.00 O ATOM 0 H SER A 72 -18.367 -4.447 -2.401 1.00 0.00 H new ATOM 0 HA SER A 72 -20.669 -5.933 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.149 -6.257 -4.796 1.00 0.00 H new ATOM 0 HB3 SER A 72 -21.599 -4.670 -4.206 1.00 0.00 H new ATOM 0 HG SER A 72 -19.930 -3.747 -5.282 1.00 0.00 H new ATOM 1113 N PRO A 73 -18.365 -7.204 -2.262 1.00 0.00 N ATOM 1114 CA PRO A 73 -18.748 -6.819 -0.900 1.00 0.00 C ATOM 1115 C PRO A 73 -18.359 -5.383 -0.557 1.00 0.00 C ATOM 1116 O PRO A 73 -19.220 -4.546 -0.289 1.00 0.00 O ATOM 1117 CB PRO A 73 -17.975 -7.806 -0.018 1.00 0.00 C ATOM 1118 CG PRO A 73 -16.832 -8.258 -0.858 1.00 0.00 C ATOM 1119 CD PRO A 73 -17.331 -8.252 -2.275 1.00 0.00 C ATOM 0 HA PRO A 73 -19.829 -6.855 -0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.627 -7.328 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.603 -8.646 0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.976 -7.593 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.502 -9.255 -0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -16.534 -8.022 -2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.742 -9.220 -2.561 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.057 -5.106 -0.553 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.558 -3.775 -0.225 1.00 0.00 C ATOM 1129 C LYS A 74 -16.174 -2.978 -1.467 1.00 0.00 C ATOM 1130 O LYS A 74 -16.477 -3.370 -2.594 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.370 -3.889 0.727 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.705 -4.635 2.008 1.00 0.00 C ATOM 1133 CD LYS A 74 -15.768 -6.138 1.788 1.00 0.00 C ATOM 1134 CE LYS A 74 -14.389 -6.773 1.862 1.00 0.00 C ATOM 1135 NZ LYS A 74 -14.463 -8.260 1.894 1.00 0.00 N ATOM 0 H LYS A 74 -16.330 -5.786 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.366 -3.230 0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.552 -4.400 0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.015 -2.889 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.955 -4.410 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.662 -4.284 2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.418 -6.589 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.213 -6.345 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.798 -6.457 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.872 -6.416 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.502 -8.654 1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.006 -8.563 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.933 -8.603 1.032 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.535 -1.832 -1.242 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.137 -0.941 -2.326 1.00 0.00 C ATOM 1151 C ARG A 75 -13.665 -1.073 -2.692 1.00 0.00 C ATOM 1152 O ARG A 75 -13.327 -1.412 -3.826 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.416 0.510 -1.935 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.836 0.964 -2.228 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.019 2.444 -1.934 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.397 2.832 -0.671 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.937 3.700 0.179 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.103 4.266 -0.099 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.311 4.001 1.308 1.00 0.00 N ATOM 0 H ARG A 75 -15.281 -1.498 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.724 -1.230 -3.197 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.218 0.634 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.720 1.159 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.074 0.767 -3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.536 0.383 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.588 3.031 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.083 2.678 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.499 2.414 -0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.588 4.036 -0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.515 4.932 0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.414 3.567 1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.726 4.667 1.959 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.795 -0.746 -1.746 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.361 -0.766 -1.997 1.00 0.00 C ATOM 1175 C TYR A 76 -10.757 -2.155 -1.845 1.00 0.00 C ATOM 1176 O TYR A 76 -11.192 -2.945 -1.011 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.666 0.220 -1.068 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.462 1.483 -0.892 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.593 1.707 -1.660 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.094 2.441 0.036 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.340 2.849 -1.512 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.838 3.595 0.195 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.962 3.796 -0.582 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.706 4.943 -0.429 1.00 0.00 O ATOM 0 H TYR A 76 -13.056 -0.465 -0.801 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.206 -0.471 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.507 -0.247 -0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.682 0.464 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.893 0.969 -2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.215 2.285 0.644 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.219 3.006 -2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.542 4.336 0.923 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.304 5.503 0.267 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.739 -2.425 -2.661 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.035 -3.715 -2.643 1.00 0.00 C ATOM 1196 C TYR A 77 -7.792 -3.681 -3.535 1.00 0.00 C ATOM 1197 O TYR A 77 -7.555 -2.708 -4.241 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.959 -4.851 -3.101 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.337 -4.781 -4.560 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.152 -3.760 -5.032 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.882 -5.735 -5.467 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.506 -3.686 -6.364 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.234 -5.662 -6.804 1.00 0.00 C ATOM 1204 CZ TYR A 77 -11.044 -4.638 -7.246 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.395 -4.567 -8.574 1.00 0.00 O ATOM 0 H TYR A 77 -9.378 -1.764 -3.349 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.725 -3.899 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.469 -5.805 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.868 -4.832 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.515 -3.011 -4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.248 -6.540 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.142 -2.886 -6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.875 -6.406 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.147 -3.948 -8.681 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.005 -4.756 -3.504 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.795 -4.843 -4.324 1.00 0.00 C ATOM 1217 C VAL A 78 -5.582 -6.259 -4.830 1.00 0.00 C ATOM 1218 O VAL A 78 -4.541 -6.865 -4.578 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.534 -4.438 -3.548 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.555 -2.958 -3.198 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.388 -5.301 -2.305 1.00 0.00 C ATOM 0 H VAL A 78 -7.181 -5.576 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.948 -4.153 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.665 -4.604 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.649 -2.701 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.604 -2.368 -4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.427 -2.742 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.491 -5.006 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.260 -5.168 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.308 -6.348 -2.596 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.567 -6.784 -5.533 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.474 -8.133 -6.060 1.00 0.00 C ATOM 1233 C ALA A 79 -7.860 -8.734 -6.228 1.00 0.00 C ATOM 1234 O ALA A 79 -8.048 -9.932 -6.023 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.640 -9.005 -5.126 1.00 0.00 C ATOM 0 H ALA A 79 -7.438 -6.300 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.990 -8.091 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.577 -10.015 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.638 -8.587 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.109 -9.037 -4.143 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.839 -7.900 -6.571 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.200 -8.394 -6.713 1.00 0.00 C ATOM 1243 C GLU A 80 -10.361 -9.531 -5.728 1.00 0.00 C ATOM 1244 O GLU A 80 -11.011 -10.541 -6.000 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.462 -8.876 -8.142 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.817 -8.004 -9.207 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.680 -8.715 -10.538 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.055 -9.797 -10.572 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -10.196 -8.191 -11.547 1.00 0.00 O ATOM 0 H GLU A 80 -8.718 -6.903 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.919 -7.600 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.091 -9.896 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.538 -8.909 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.412 -7.101 -9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.831 -7.688 -8.865 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.689 -9.360 -4.597 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.656 -10.360 -3.552 1.00 0.00 C ATOM 1258 C LYS A 81 -10.114 -9.798 -2.202 1.00 0.00 C ATOM 1259 O LYS A 81 -11.057 -10.313 -1.601 1.00 0.00 O ATOM 1260 CB LYS A 81 -8.229 -10.896 -3.488 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.525 -10.692 -2.164 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.023 -10.568 -2.358 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.367 -11.935 -2.427 1.00 0.00 C ATOM 1264 NZ LYS A 81 -6.355 -13.037 -2.256 1.00 0.00 N ATOM 0 H LYS A 81 -9.152 -8.520 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.355 -11.165 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.248 -11.963 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.642 -10.417 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.908 -9.794 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.741 -11.529 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.816 -10.015 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.593 -9.996 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.862 -12.047 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.603 -12.010 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.859 -13.951 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.856 -12.917 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.041 -13.013 -3.038 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.460 -8.735 -1.731 1.00 0.00 N ATOM 1279 CA TYR A 82 -9.831 -8.115 -0.458 1.00 0.00 C ATOM 1280 C TYR A 82 -10.304 -6.686 -0.670 1.00 0.00 C ATOM 1281 O TYR A 82 -9.508 -5.804 -0.987 1.00 0.00 O ATOM 1282 CB TYR A 82 -8.657 -8.088 0.523 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.027 -9.431 0.789 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.496 -10.259 1.798 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -6.956 -9.863 0.031 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.909 -11.485 2.041 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -6.362 -11.084 0.259 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.840 -11.895 1.268 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.252 -13.117 1.503 1.00 0.00 O ATOM 0 H TYR A 82 -8.677 -8.288 -2.208 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.635 -8.721 -0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.893 -7.414 0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.001 -7.670 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.332 -9.940 2.402 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.577 -9.230 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.283 -12.120 2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.528 -11.405 -0.347 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.515 -13.252 0.871 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.593 -6.452 -0.473 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.138 -5.115 -0.630 1.00 0.00 C ATOM 1301 C VAL A 83 -12.467 -4.507 0.718 1.00 0.00 C ATOM 1302 O VAL A 83 -12.641 -5.216 1.710 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.403 -5.098 -1.503 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.043 -5.215 -2.975 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.353 -6.204 -1.082 1.00 0.00 C ATOM 0 H VAL A 83 -12.274 -7.163 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.368 -4.526 -1.128 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.910 -4.144 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.953 -5.201 -3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.407 -4.378 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.510 -6.151 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.243 -6.178 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.859 -7.169 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.640 -6.060 -0.040 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.551 -3.190 0.752 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.866 -2.494 1.985 1.00 0.00 C ATOM 1317 C PHE A 84 -13.405 -1.098 1.698 1.00 0.00 C ATOM 1318 O PHE A 84 -13.643 -0.738 0.543 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.628 -2.417 2.881 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.909 -3.730 3.012 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.976 -4.122 2.066 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.171 -4.576 4.078 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.318 -5.334 2.179 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.515 -5.788 4.198 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.588 -6.167 3.246 1.00 0.00 C ATOM 0 H PHE A 84 -12.406 -2.584 -0.055 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.641 -3.055 2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.941 -1.673 2.478 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.925 -2.073 3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.760 -3.474 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.896 -4.286 4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.594 -5.628 1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.727 -6.437 5.035 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.076 -7.113 3.337 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.602 -0.321 2.754 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.122 1.031 2.617 1.00 0.00 C ATOM 1337 C ASP A 85 -13.022 2.068 2.809 1.00 0.00 C ATOM 1338 O ASP A 85 -13.294 3.267 2.864 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.246 1.272 3.627 1.00 0.00 C ATOM 1340 CG ASP A 85 -14.722 1.485 5.034 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -13.835 2.346 5.214 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.199 0.792 5.957 1.00 0.00 O ATOM 0 H ASP A 85 -13.409 -0.604 3.715 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.518 1.136 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.825 2.144 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.926 0.420 3.620 1.00 0.00 H new ATOM 1347 N SER A 86 -11.780 1.606 2.909 1.00 0.00 N ATOM 1348 CA SER A 86 -10.657 2.514 3.093 1.00 0.00 C ATOM 1349 C SER A 86 -9.320 1.775 3.111 1.00 0.00 C ATOM 1350 O SER A 86 -9.217 0.614 3.546 1.00 0.00 O ATOM 1351 CB SER A 86 -10.831 3.317 4.386 1.00 0.00 C ATOM 1352 OG SER A 86 -10.288 2.628 5.499 1.00 0.00 O ATOM 0 H SER A 86 -11.528 0.618 2.866 1.00 0.00 H new ATOM 0 HA SER A 86 -10.646 3.195 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.343 4.286 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.890 3.510 4.557 1.00 0.00 H new ATOM 0 HG SER A 86 -10.412 3.165 6.309 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.289 2.467 2.643 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.955 1.904 2.603 1.00 0.00 C ATOM 1360 C ILE A 87 -6.555 1.390 3.979 1.00 0.00 C ATOM 1361 O ILE A 87 -6.014 0.299 4.104 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.911 2.939 2.151 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.067 3.287 0.669 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.511 2.414 2.419 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.313 2.723 0.027 1.00 0.00 C ATOM 0 H ILE A 87 -8.356 3.420 2.286 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.978 1.086 1.883 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.073 3.851 2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.076 4.372 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.195 2.920 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.777 3.153 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.391 2.226 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.359 1.486 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.346 3.016 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.299 1.636 0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.194 3.110 0.540 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.818 2.174 5.040 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.468 1.777 6.404 1.00 0.00 C ATOM 1379 C PRO A 88 -6.999 0.397 6.744 1.00 0.00 C ATOM 1380 O PRO A 88 -6.250 -0.461 7.213 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.128 2.839 7.275 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.272 4.030 6.386 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.463 3.496 4.991 1.00 0.00 C ATOM 0 HA PRO A 88 -5.389 1.715 6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.097 2.502 7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.517 3.069 8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.123 4.640 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.388 4.666 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.519 3.418 4.732 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.998 4.142 4.246 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.275 0.153 6.463 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.831 -1.165 6.708 1.00 0.00 C ATOM 1393 C LEU A 89 -8.216 -2.099 5.688 1.00 0.00 C ATOM 1394 O LEU A 89 -7.752 -3.196 6.018 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.361 -1.196 6.602 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.056 0.157 6.472 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.433 0.414 5.024 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.290 0.205 7.359 1.00 0.00 C ATOM 0 H LEU A 89 -8.927 0.835 6.075 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.598 -1.468 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.632 -1.805 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.755 -1.700 7.484 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.368 0.937 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.928 1.382 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.534 0.414 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.109 -0.369 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.775 1.176 7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.984 -0.581 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.997 0.055 8.398 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.172 -1.624 4.441 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.565 -2.392 3.370 1.00 0.00 C ATOM 1412 C LEU A 90 -6.120 -2.716 3.743 1.00 0.00 C ATOM 1413 O LEU A 90 -5.620 -3.805 3.463 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.626 -1.609 2.059 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.219 -2.402 0.815 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.244 -2.220 -0.294 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.837 -1.978 0.342 1.00 0.00 C ATOM 0 H LEU A 90 -8.548 -0.719 4.157 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.113 -3.324 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.642 -1.240 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.979 -0.736 2.144 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.183 -3.459 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.937 -2.791 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.217 -2.574 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.314 -1.164 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.563 -2.552 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.846 -0.916 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.110 -2.162 1.133 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.465 -1.765 4.410 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.092 -1.949 4.862 1.00 0.00 C ATOM 1431 C ILE A 91 -4.083 -2.784 6.129 1.00 0.00 C ATOM 1432 O ILE A 91 -3.371 -3.783 6.227 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.383 -0.610 5.151 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.493 0.325 3.951 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.920 -0.852 5.495 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.918 -0.261 2.687 1.00 0.00 C ATOM 0 H ILE A 91 -5.867 -0.858 4.648 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.554 -2.451 4.058 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.872 -0.138 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.542 0.571 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.978 1.259 4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.431 0.101 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.854 -1.488 6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.426 -1.343 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.028 0.454 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.861 -0.482 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.449 -1.180 2.438 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.901 -2.374 7.095 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.005 -3.095 8.350 1.00 0.00 C ATOM 1450 C GLN A 92 -5.269 -4.560 8.059 1.00 0.00 C ATOM 1451 O GLN A 92 -4.683 -5.445 8.682 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.121 -2.511 9.218 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.731 -1.215 9.911 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.654 -0.454 9.162 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.919 0.585 8.556 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.428 -0.965 9.201 1.00 0.00 N ATOM 0 H GLN A 92 -5.497 -1.549 7.029 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.069 -2.997 8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.999 -2.332 8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.408 -3.245 9.971 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.613 -0.583 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.379 -1.438 10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.251 -1.828 9.715 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.664 -0.494 8.717 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.133 -4.813 7.079 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.436 -6.178 6.686 1.00 0.00 C ATOM 1467 C TYR A 93 -5.204 -6.806 6.046 1.00 0.00 C ATOM 1468 O TYR A 93 -4.874 -7.960 6.315 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.609 -6.220 5.708 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.211 -6.665 4.321 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -7.005 -8.008 4.029 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -7.031 -5.739 3.306 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.630 -8.411 2.762 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.659 -6.134 2.037 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.459 -7.471 1.771 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.085 -7.866 0.509 1.00 0.00 O ATOM 0 H TYR A 93 -6.629 -4.096 6.550 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.717 -6.742 7.576 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.372 -6.896 6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.060 -5.230 5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.140 -8.748 4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.184 -4.690 3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.472 -9.458 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.525 -5.399 1.257 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.436 -7.228 0.145 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.508 -6.028 5.213 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.300 -6.512 4.561 1.00 0.00 C ATOM 1488 C HIS A 94 -2.196 -6.702 5.592 1.00 0.00 C ATOM 1489 O HIS A 94 -1.506 -7.721 5.607 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.823 -5.512 3.512 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.610 -5.510 2.240 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.296 -4.516 1.631 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.733 -6.612 1.424 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -4.814 -5.028 0.469 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -4.459 -6.296 0.368 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.762 -5.068 4.979 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.529 -7.463 4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.855 -4.512 3.944 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.780 -5.724 3.277 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.407 -3.562 1.973 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.303 -7.583 1.618 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.414 -4.484 -0.246 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.036 -5.696 6.444 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.017 -5.713 7.482 1.00 0.00 C ATOM 1506 C GLN A 95 -1.043 -7.023 8.265 1.00 0.00 C ATOM 1507 O GLN A 95 -0.067 -7.378 8.927 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.224 -4.538 8.441 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.093 -3.177 7.778 1.00 0.00 C ATOM 1510 CD GLN A 95 0.311 -2.617 7.880 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.519 -1.519 8.397 1.00 0.00 O ATOM 1512 NE2 GLN A 95 1.283 -3.373 7.385 1.00 0.00 N ATOM 0 H GLN A 95 -2.607 -4.851 6.434 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.045 -5.623 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.213 -4.619 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.498 -4.609 9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.373 -3.259 6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.793 -2.482 8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.063 -4.276 6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.250 -3.051 7.424 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.166 -7.732 8.199 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.315 -8.990 8.918 1.00 0.00 C ATOM 1523 C TYR A 96 -2.410 -10.176 7.964 1.00 0.00 C ATOM 1524 O TYR A 96 -1.406 -10.817 7.651 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.556 -8.941 9.810 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.377 -8.095 11.050 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.291 -6.711 10.962 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.297 -8.679 12.307 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -3.127 -5.933 12.092 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.134 -7.907 13.443 1.00 0.00 C ATOM 1531 CZ TYR A 96 -3.049 -6.536 13.330 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.887 -5.764 14.458 1.00 0.00 O ATOM 0 H TYR A 96 -2.984 -7.456 7.656 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.427 -9.126 9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.394 -8.551 9.232 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.820 -9.956 10.108 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.353 -6.235 9.994 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.363 -9.753 12.399 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -3.060 -4.858 12.006 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.074 -8.376 14.414 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.852 -6.343 15.248 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.626 -10.471 7.516 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.858 -11.590 6.608 1.00 0.00 C ATOM 1544 C ASN A 97 -2.811 -11.630 5.500 1.00 0.00 C ATOM 1545 O ASN A 97 -2.030 -10.694 5.335 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.259 -11.504 6.000 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.694 -10.075 5.750 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -5.274 -9.448 4.778 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.538 -9.550 6.631 1.00 0.00 N ATOM 0 H ASN A 97 -4.467 -9.951 7.767 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.777 -12.510 7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.279 -12.056 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.972 -11.986 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.864 -8.590 6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.861 -10.107 7.423 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.802 -12.725 4.747 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.848 -12.877 3.665 1.00 0.00 C ATOM 1558 C GLY A 98 -1.923 -11.747 2.657 1.00 0.00 C ATOM 1559 O GLY A 98 -0.963 -11.492 1.931 1.00 0.00 O ATOM 0 H GLY A 98 -3.440 -13.511 4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.840 -12.924 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.029 -13.824 3.157 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.064 -11.068 2.612 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.232 -9.968 1.680 1.00 0.00 C ATOM 1565 C GLY A 99 -2.273 -10.058 0.508 1.00 0.00 C ATOM 1566 O GLY A 99 -1.650 -9.067 0.132 1.00 0.00 O ATOM 0 H GLY A 99 -3.874 -11.259 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.257 -9.962 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.077 -9.024 2.203 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.156 -11.251 -0.066 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.264 -11.446 -1.194 1.00 0.00 C ATOM 1572 C GLY A 100 -0.090 -10.487 -1.177 1.00 0.00 C ATOM 1573 O GLY A 100 0.734 -10.521 -0.262 1.00 0.00 O ATOM 0 H GLY A 100 -2.663 -12.086 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.892 -12.471 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.822 -11.316 -2.121 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.015 -9.629 -2.188 1.00 0.00 N ATOM 1578 CA LEU A 101 1.064 -8.654 -2.284 1.00 0.00 C ATOM 1579 C LEU A 101 2.410 -9.296 -1.953 1.00 0.00 C ATOM 1580 O LEU A 101 2.522 -10.519 -1.877 1.00 0.00 O ATOM 1581 CB LEU A 101 0.794 -7.482 -1.342 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.468 -6.675 -1.657 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.534 -7.564 -2.285 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.998 -6.006 -0.398 1.00 0.00 C ATOM 0 H LEU A 101 -0.689 -9.589 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 101 1.105 -8.287 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.718 -7.864 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.652 -6.810 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.209 -5.898 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.422 -6.970 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.151 -7.993 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.793 -8.366 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.895 -5.436 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.240 -6.767 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.239 -5.335 0.004 1.00 0.00 H new ATOM 1596 N VAL A 102 3.431 -8.464 -1.761 1.00 0.00 N ATOM 1597 CA VAL A 102 4.767 -8.957 -1.444 1.00 0.00 C ATOM 1598 C VAL A 102 4.807 -9.596 -0.059 1.00 0.00 C ATOM 1599 O VAL A 102 5.508 -10.585 0.158 1.00 0.00 O ATOM 1600 CB VAL A 102 5.819 -7.832 -1.506 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.749 -7.105 -2.840 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.637 -6.861 -0.349 1.00 0.00 C ATOM 0 H VAL A 102 3.358 -7.448 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 102 5.007 -9.708 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 102 6.808 -8.282 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.499 -6.315 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.939 -7.810 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.758 -6.668 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.390 -6.075 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.643 -6.417 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.748 -7.395 0.595 1.00 0.00 H new ATOM 1612 N THR A 103 4.053 -9.027 0.875 1.00 0.00 N ATOM 1613 CA THR A 103 4.008 -9.545 2.238 1.00 0.00 C ATOM 1614 C THR A 103 2.878 -8.897 3.033 1.00 0.00 C ATOM 1615 O THR A 103 3.116 -8.224 4.036 1.00 0.00 O ATOM 1616 CB THR A 103 5.346 -9.310 2.941 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.156 -9.133 4.333 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.093 -8.099 2.421 1.00 0.00 C ATOM 0 H THR A 103 3.466 -8.209 0.714 1.00 0.00 H new ATOM 0 HA THR A 103 3.818 -10.617 2.185 1.00 0.00 H new ATOM 0 HB THR A 103 5.941 -10.199 2.733 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.440 -8.482 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.033 -7.991 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.299 -8.227 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.485 -7.206 2.567 1.00 0.00 H new ATOM 1626 N ARG A 104 1.647 -9.110 2.579 1.00 0.00 N ATOM 1627 CA ARG A 104 0.475 -8.552 3.245 1.00 0.00 C ATOM 1628 C ARG A 104 0.863 -7.415 4.185 1.00 0.00 C ATOM 1629 O ARG A 104 0.967 -7.608 5.396 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.256 -9.645 4.026 1.00 0.00 C ATOM 1631 CG ARG A 104 0.557 -10.918 4.197 1.00 0.00 C ATOM 1632 CD ARG A 104 0.438 -11.470 5.608 1.00 0.00 C ATOM 1633 NE ARG A 104 1.738 -11.828 6.167 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.466 -11.010 6.919 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.021 -9.793 7.201 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.640 -11.407 7.391 1.00 0.00 N ATOM 0 H ARG A 104 1.435 -9.666 1.751 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.188 -8.150 2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.523 -9.260 5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.188 -9.885 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.216 -11.667 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.604 -10.715 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.040 -10.729 6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.208 -12.348 5.600 1.00 0.00 H new ATOM 0 HE ARG A 104 2.108 -12.758 5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.118 -9.484 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.581 -9.166 7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.986 -12.342 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.197 -10.777 7.968 1.00 0.00 H new ATOM 1650 N LEU A 105 1.077 -6.232 3.619 1.00 0.00 N ATOM 1651 CA LEU A 105 1.454 -5.066 4.410 1.00 0.00 C ATOM 1652 C LEU A 105 2.275 -5.488 5.624 1.00 0.00 C ATOM 1653 O LEU A 105 1.791 -5.483 6.754 1.00 0.00 O ATOM 1654 CB LEU A 105 0.209 -4.282 4.840 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.574 -3.660 3.696 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -0.015 -2.298 3.412 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.507 -4.518 2.446 1.00 0.00 C ATOM 0 H LEU A 105 0.996 -6.055 2.618 1.00 0.00 H new ATOM 0 HA LEU A 105 2.070 -4.413 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.451 -4.950 5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.513 -3.492 5.527 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.621 -3.585 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.569 -1.841 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.104 -1.675 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.036 -2.386 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.078 -4.043 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.532 -4.626 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.927 -5.502 2.657 1.00 0.00 H new ATOM 1669 N ARG A 106 3.522 -5.867 5.367 1.00 0.00 N ATOM 1670 CA ARG A 106 4.429 -6.312 6.417 1.00 0.00 C ATOM 1671 C ARG A 106 4.770 -5.188 7.388 1.00 0.00 C ATOM 1672 O ARG A 106 4.879 -5.414 8.593 1.00 0.00 O ATOM 1673 CB ARG A 106 5.715 -6.858 5.799 1.00 0.00 C ATOM 1674 CG ARG A 106 6.405 -7.909 6.653 1.00 0.00 C ATOM 1675 CD ARG A 106 5.604 -8.222 7.906 1.00 0.00 C ATOM 1676 NE ARG A 106 6.453 -8.712 8.989 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.134 -7.918 9.808 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.066 -6.601 9.666 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.884 -8.438 10.769 1.00 0.00 N ATOM 0 H ARG A 106 3.930 -5.874 4.432 1.00 0.00 H new ATOM 0 HA ARG A 106 3.921 -7.098 6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.485 -7.288 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.405 -6.032 5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.542 -8.820 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.398 -7.557 6.933 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.079 -7.325 8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.845 -8.969 7.674 1.00 0.00 H new ATOM 0 HE ARG A 106 6.527 -9.720 9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.490 -6.197 8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.589 -5.992 10.295 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.939 -9.450 10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.406 -7.826 11.396 1.00 0.00 H new ATOM 1693 N TYR A 107 4.957 -3.981 6.865 1.00 0.00 N ATOM 1694 CA TYR A 107 5.307 -2.844 7.709 1.00 0.00 C ATOM 1695 C TYR A 107 5.206 -1.528 6.950 1.00 0.00 C ATOM 1696 O TYR A 107 6.032 -1.230 6.088 1.00 0.00 O ATOM 1697 CB TYR A 107 6.726 -3.010 8.245 1.00 0.00 C ATOM 1698 CG TYR A 107 7.245 -1.768 8.919 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.574 -1.219 10.000 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.395 -1.138 8.469 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.034 -0.075 10.617 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.865 0.007 9.080 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.180 0.535 10.155 1.00 0.00 C ATOM 1704 OH TYR A 107 8.643 1.677 10.768 1.00 0.00 O ATOM 0 H TYR A 107 4.873 -3.766 5.872 1.00 0.00 H new ATOM 0 HA TYR A 107 4.597 -2.817 8.536 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.747 -3.838 8.954 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.391 -3.277 7.423 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.676 -1.695 10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.932 -1.550 7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.499 0.341 11.458 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.763 0.486 8.719 1.00 0.00 H new ATOM 0 HH TYR A 107 8.355 2.462 10.257 1.00 0.00 H new ATOM 1714 N PRO A 108 4.187 -0.719 7.269 1.00 0.00 N ATOM 1715 CA PRO A 108 3.974 0.574 6.622 1.00 0.00 C ATOM 1716 C PRO A 108 5.217 1.465 6.670 1.00 0.00 C ATOM 1717 O PRO A 108 5.866 1.592 7.707 1.00 0.00 O ATOM 1718 CB PRO A 108 2.823 1.208 7.420 1.00 0.00 C ATOM 1719 CG PRO A 108 2.635 0.356 8.630 1.00 0.00 C ATOM 1720 CD PRO A 108 3.163 -1.005 8.280 1.00 0.00 C ATOM 0 HA PRO A 108 3.750 0.457 5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.063 2.234 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.911 1.245 6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.170 0.772 9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.582 0.304 8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.586 -1.509 9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.379 -1.652 7.887 1.00 0.00 H new ATOM 1728 N VAL A 109 5.544 2.071 5.531 1.00 0.00 N ATOM 1729 CA VAL A 109 6.688 2.941 5.409 1.00 0.00 C ATOM 1730 C VAL A 109 6.251 4.386 5.232 1.00 0.00 C ATOM 1731 O VAL A 109 5.164 4.657 4.722 1.00 0.00 O ATOM 1732 CB VAL A 109 7.530 2.538 4.195 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.285 3.732 3.647 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.460 1.405 4.565 1.00 0.00 C ATOM 0 H VAL A 109 5.013 1.965 4.667 1.00 0.00 H new ATOM 0 HA VAL A 109 7.276 2.848 6.322 1.00 0.00 H new ATOM 0 HB VAL A 109 6.870 2.184 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.877 3.424 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.576 4.503 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.946 4.130 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.055 1.124 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.122 1.725 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 109 7.875 0.547 4.896 1.00 0.00 H new ATOM 1744 N CYS A 110 7.103 5.313 5.640 1.00 0.00 N ATOM 1745 CA CYS A 110 6.797 6.726 5.507 1.00 0.00 C ATOM 1746 C CYS A 110 8.047 7.515 5.146 1.00 0.00 C ATOM 1747 O CYS A 110 8.752 8.025 6.018 1.00 0.00 O ATOM 1748 CB CYS A 110 6.177 7.261 6.796 1.00 0.00 C ATOM 1749 SG CYS A 110 6.734 8.918 7.257 1.00 0.00 S ATOM 0 H CYS A 110 8.009 5.112 6.064 1.00 0.00 H new ATOM 0 HA CYS A 110 6.074 6.847 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.093 7.272 6.686 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.408 6.573 7.609 1.00 0.00 H new ATOM 0 HG CYS A 110 8.017 9.012 7.071 1.00 0.00 H new ATOM 1755 N GLY A 111 8.313 7.603 3.851 1.00 0.00 N ATOM 1756 CA GLY A 111 9.478 8.328 3.377 1.00 0.00 C ATOM 1757 C GLY A 111 9.473 9.782 3.808 1.00 0.00 C ATOM 1758 O GLY A 111 8.563 10.223 4.510 1.00 0.00 O ATOM 0 H GLY A 111 7.742 7.185 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.380 7.844 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.517 8.275 2.289 1.00 0.00 H new HETATM 1762 N NH2 A 112 10.487 10.533 3.396 1.00 0.00 N TER 1765 NH2 A 112