USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 39 THR OG1 : rot 100:sc= -0.311 USER MOD Set 2.2: A 43 THR OG1 : rot 97:sc= 0.349! USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 130:sc= -0.522 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.676 K(o=-0.68,f=-0.037) USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.254) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 36:sc= 0.129 USER MOD Single : A 60 THR OG1 : rot -55:sc= 0.644 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.025 (180deg=-0.258) USER MOD Single : A 66 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.16) USER MOD Single : A 67 ASN : amide:sc= -2.76! C(o=-2.8!,f=-8.3!) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -0.259 (180deg=-0.936) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.85 (180deg=-0.99) USER MOD Single : A 74 HIS : no HE2:sc= -7.92! C(o=-7.9!,f=-14!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -99:sc= 1.27 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 88 ASN : amide:sc= -8.98! C(o=-9!,f=-4.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0904 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -157:sc= -0.0321 (180deg=-0.304) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.462 -9.383 -14.471 1.00 0.00 N ATOM 2 CA LEU A 17 2.396 -8.578 -13.645 1.00 0.00 C ATOM 3 C LEU A 17 3.814 -9.116 -13.805 1.00 0.00 C ATOM 4 O LEU A 17 4.418 -9.607 -12.872 1.00 0.00 O ATOM 5 CB LEU A 17 1.971 -8.665 -12.153 1.00 0.00 C ATOM 6 CG LEU A 17 2.360 -7.379 -11.384 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.302 -7.107 -10.316 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.717 -7.577 -10.704 1.00 0.00 C ATOM 0 HA LEU A 17 2.367 -7.538 -13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.894 -8.819 -12.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.446 -9.528 -11.687 1.00 0.00 H new ATOM 0 HG LEU A 17 2.421 -6.540 -12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.564 -6.203 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.330 -6.974 -10.792 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.256 -7.950 -9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.989 -6.670 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.656 -8.412 -10.005 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.474 -7.790 -11.458 1.00 0.00 H new ATOM 22 N GLN A 18 4.312 -9.018 -14.996 1.00 0.00 N ATOM 23 CA GLN A 18 5.679 -9.508 -15.255 1.00 0.00 C ATOM 24 C GLN A 18 6.683 -8.585 -14.609 1.00 0.00 C ATOM 25 O GLN A 18 7.728 -9.004 -14.156 1.00 0.00 O ATOM 26 CB GLN A 18 5.907 -9.507 -16.773 1.00 0.00 C ATOM 27 CG GLN A 18 7.244 -10.175 -17.083 1.00 0.00 C ATOM 28 CD GLN A 18 7.506 -10.111 -18.589 1.00 0.00 C ATOM 29 OE1 GLN A 18 8.131 -9.193 -19.083 1.00 0.00 O ATOM 30 NE2 GLN A 18 7.047 -11.064 -19.353 1.00 0.00 N ATOM 0 H GLN A 18 3.830 -8.619 -15.801 1.00 0.00 H new ATOM 0 HA GLN A 18 5.799 -10.511 -14.846 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.097 -10.038 -17.274 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.901 -8.485 -17.152 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.047 -9.675 -16.541 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.231 -11.212 -16.749 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.522 -11.837 -18.944 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.213 -11.036 -20.359 1.00 0.00 H new ATOM 39 N ASP A 19 6.338 -7.340 -14.580 1.00 0.00 N ATOM 40 CA ASP A 19 7.232 -6.347 -13.976 1.00 0.00 C ATOM 41 C ASP A 19 6.456 -5.107 -13.574 1.00 0.00 C ATOM 42 O ASP A 19 6.890 -4.340 -12.738 1.00 0.00 O ATOM 43 CB ASP A 19 8.263 -5.952 -15.022 1.00 0.00 C ATOM 44 CG ASP A 19 9.667 -6.255 -14.495 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.057 -7.403 -14.624 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.271 -5.320 -13.995 1.00 0.00 O ATOM 0 H ASP A 19 5.465 -6.968 -14.954 1.00 0.00 H new ATOM 0 HA ASP A 19 7.703 -6.772 -13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.085 -6.499 -15.948 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.172 -4.891 -15.255 1.00 0.00 H new ATOM 51 N ALA A 20 5.312 -4.941 -14.173 1.00 0.00 N ATOM 52 CA ALA A 20 4.475 -3.754 -13.850 1.00 0.00 C ATOM 53 C ALA A 20 5.299 -2.468 -13.936 1.00 0.00 C ATOM 54 O ALA A 20 6.491 -2.511 -14.173 1.00 0.00 O ATOM 55 CB ALA A 20 3.947 -3.904 -12.415 1.00 0.00 C ATOM 0 H ALA A 20 4.921 -5.574 -14.871 1.00 0.00 H new ATOM 0 HA ALA A 20 3.655 -3.695 -14.565 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.331 -3.041 -12.162 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.348 -4.812 -12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.787 -3.966 -11.723 1.00 0.00 H new ATOM 61 N GLU A 21 4.639 -1.347 -13.748 1.00 0.00 N ATOM 62 CA GLU A 21 5.353 -0.040 -13.811 1.00 0.00 C ATOM 63 C GLU A 21 5.342 0.630 -12.448 1.00 0.00 C ATOM 64 O GLU A 21 6.375 0.852 -11.849 1.00 0.00 O ATOM 65 CB GLU A 21 4.615 0.865 -14.805 1.00 0.00 C ATOM 66 CG GLU A 21 4.546 0.164 -16.159 1.00 0.00 C ATOM 67 CD GLU A 21 5.961 0.006 -16.713 1.00 0.00 C ATOM 68 OE1 GLU A 21 6.801 0.779 -16.279 1.00 0.00 O ATOM 69 OE2 GLU A 21 6.126 -0.878 -17.536 1.00 0.00 O ATOM 0 H GLU A 21 3.639 -1.286 -13.554 1.00 0.00 H new ATOM 0 HA GLU A 21 6.385 -0.205 -14.122 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.610 1.082 -14.442 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.133 1.819 -14.901 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.072 -0.812 -16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.934 0.742 -16.851 1.00 0.00 H new ATOM 76 N TRP A 22 4.167 0.945 -11.987 1.00 0.00 N ATOM 77 CA TRP A 22 4.055 1.602 -10.662 1.00 0.00 C ATOM 78 C TRP A 22 4.879 0.859 -9.636 1.00 0.00 C ATOM 79 O TRP A 22 5.476 1.446 -8.755 1.00 0.00 O ATOM 80 CB TRP A 22 2.592 1.560 -10.224 1.00 0.00 C ATOM 81 CG TRP A 22 1.722 1.120 -11.414 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.247 1.951 -12.308 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.381 -0.120 -11.694 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.583 1.162 -13.168 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.622 -0.173 -12.848 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.674 -1.287 -11.027 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.165 -1.380 -13.321 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.215 -2.489 -11.500 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.463 -2.535 -12.646 1.00 0.00 C ATOM 0 H TRP A 22 3.284 0.776 -12.469 1.00 0.00 H new ATOM 0 HA TRP A 22 4.414 2.628 -10.739 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.469 0.867 -9.392 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.277 2.542 -9.871 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.363 3.024 -12.345 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.093 1.522 -13.987 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.269 -1.256 -10.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.428 -1.418 -14.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.446 -3.401 -10.969 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.105 -3.484 -13.017 1.00 0.00 H new ATOM 100 N TYR A 23 4.890 -0.425 -9.775 1.00 0.00 N ATOM 101 CA TYR A 23 5.657 -1.270 -8.836 1.00 0.00 C ATOM 102 C TYR A 23 7.035 -1.575 -9.389 1.00 0.00 C ATOM 103 O TYR A 23 7.174 -2.005 -10.518 1.00 0.00 O ATOM 104 CB TYR A 23 4.894 -2.604 -8.661 1.00 0.00 C ATOM 105 CG TYR A 23 3.434 -2.379 -8.157 1.00 0.00 C ATOM 106 CD1 TYR A 23 2.974 -1.137 -7.677 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.545 -3.435 -8.194 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.667 -0.995 -7.257 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.241 -3.278 -7.771 1.00 0.00 C ATOM 110 CZ TYR A 23 0.794 -2.060 -7.301 1.00 0.00 C ATOM 111 OH TYR A 23 -0.513 -1.909 -6.882 1.00 0.00 O ATOM 0 H TYR A 23 4.395 -0.933 -10.508 1.00 0.00 H new ATOM 0 HA TYR A 23 5.767 -0.744 -7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.872 -3.137 -9.612 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.429 -3.238 -7.953 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.647 -0.293 -7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.875 -4.397 -8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.325 -0.039 -6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.563 -4.118 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.119 -2.260 -7.568 1.00 0.00 H new ATOM 121 N TRP A 24 8.036 -1.355 -8.583 1.00 0.00 N ATOM 122 CA TRP A 24 9.408 -1.630 -9.051 1.00 0.00 C ATOM 123 C TRP A 24 9.752 -3.072 -8.734 1.00 0.00 C ATOM 124 O TRP A 24 10.722 -3.616 -9.228 1.00 0.00 O ATOM 125 CB TRP A 24 10.407 -0.730 -8.288 1.00 0.00 C ATOM 126 CG TRP A 24 9.982 0.756 -8.310 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.869 1.251 -8.861 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.659 1.699 -7.715 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.922 2.561 -8.544 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.035 2.921 -7.814 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.859 1.586 -7.052 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.608 4.033 -7.247 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.438 2.701 -6.482 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.812 3.925 -6.578 1.00 0.00 C ATOM 0 H TRP A 24 7.958 -1.000 -7.630 1.00 0.00 H new ATOM 0 HA TRP A 24 9.468 -1.438 -10.122 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.485 -1.069 -7.255 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.397 -0.830 -8.732 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.110 0.728 -9.424 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.201 3.228 -8.820 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.347 0.626 -6.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.117 4.992 -7.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.380 2.615 -5.961 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.262 4.799 -6.131 1.00 0.00 H new ATOM 145 N GLY A 25 8.931 -3.661 -7.906 1.00 0.00 N ATOM 146 CA GLY A 25 9.150 -5.078 -7.508 1.00 0.00 C ATOM 147 C GLY A 25 9.080 -5.199 -5.992 1.00 0.00 C ATOM 148 O GLY A 25 8.200 -5.838 -5.450 1.00 0.00 O ATOM 0 H GLY A 25 8.114 -3.217 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.396 -5.716 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.121 -5.421 -7.866 1.00 0.00 H new ATOM 152 N ASP A 26 10.014 -4.579 -5.346 1.00 0.00 N ATOM 153 CA ASP A 26 10.050 -4.624 -3.879 1.00 0.00 C ATOM 154 C ASP A 26 11.295 -3.914 -3.357 1.00 0.00 C ATOM 155 O ASP A 26 12.399 -4.353 -3.617 1.00 0.00 O ATOM 156 CB ASP A 26 10.117 -6.090 -3.464 1.00 0.00 C ATOM 157 CG ASP A 26 10.867 -6.890 -4.532 1.00 0.00 C ATOM 158 OD1 ASP A 26 12.030 -6.577 -4.726 1.00 0.00 O ATOM 159 OD2 ASP A 26 10.234 -7.769 -5.093 1.00 0.00 O ATOM 0 H ASP A 26 10.761 -4.038 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 26 9.166 -4.132 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.622 -6.184 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.111 -6.489 -3.336 1.00 0.00 H new ATOM 164 N ILE A 27 11.102 -2.823 -2.631 1.00 0.00 N ATOM 165 CA ILE A 27 12.297 -2.086 -2.094 1.00 0.00 C ATOM 166 C ILE A 27 12.158 -1.782 -0.600 1.00 0.00 C ATOM 167 O ILE A 27 11.848 -2.652 0.178 1.00 0.00 O ATOM 168 CB ILE A 27 12.487 -0.772 -2.871 1.00 0.00 C ATOM 169 CG1 ILE A 27 11.230 0.149 -2.771 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.795 -1.114 -4.346 1.00 0.00 C ATOM 171 CD1 ILE A 27 10.211 -0.132 -3.887 1.00 0.00 C ATOM 0 H ILE A 27 10.193 -2.424 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 27 13.168 -2.729 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 27 13.317 -0.219 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.753 0.005 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.542 1.192 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.933 -0.193 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.705 -1.712 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.965 -1.679 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.355 0.533 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.678 0.038 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.877 -1.167 -3.822 1.00 0.00 H new ATOM 183 N SER A 28 12.406 -0.552 -0.222 1.00 0.00 N ATOM 184 CA SER A 28 12.289 -0.203 1.212 1.00 0.00 C ATOM 185 C SER A 28 11.935 1.267 1.400 1.00 0.00 C ATOM 186 O SER A 28 12.026 2.056 0.480 1.00 0.00 O ATOM 187 CB SER A 28 13.646 -0.470 1.881 1.00 0.00 C ATOM 188 OG SER A 28 13.386 -1.533 2.785 1.00 0.00 O ATOM 0 H SER A 28 12.680 0.211 -0.841 1.00 0.00 H new ATOM 0 HA SER A 28 11.497 -0.806 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.404 -0.747 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.014 0.414 2.401 1.00 0.00 H new ATOM 0 HG SER A 28 14.211 -1.769 3.258 1.00 0.00 H new ATOM 194 N ARG A 29 11.537 1.604 2.597 1.00 0.00 N ATOM 195 CA ARG A 29 11.170 3.016 2.884 1.00 0.00 C ATOM 196 C ARG A 29 12.210 3.958 2.333 1.00 0.00 C ATOM 197 O ARG A 29 11.904 5.049 1.894 1.00 0.00 O ATOM 198 CB ARG A 29 11.106 3.204 4.397 1.00 0.00 C ATOM 199 CG ARG A 29 11.190 1.842 5.085 1.00 0.00 C ATOM 200 CD ARG A 29 10.980 2.030 6.575 1.00 0.00 C ATOM 201 NE ARG A 29 12.165 1.494 7.303 1.00 0.00 N ATOM 202 CZ ARG A 29 12.089 0.330 7.888 1.00 0.00 C ATOM 203 NH1 ARG A 29 11.762 -0.714 7.176 1.00 0.00 N ATOM 204 NH2 ARG A 29 12.340 0.250 9.165 1.00 0.00 N ATOM 0 H ARG A 29 11.451 0.963 3.385 1.00 0.00 H new ATOM 0 HA ARG A 29 10.208 3.233 2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.925 3.842 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.178 3.706 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.435 1.168 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.161 1.384 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.843 3.086 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.075 1.513 6.896 1.00 0.00 H new ATOM 0 HE ARG A 29 13.030 2.033 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.571 -0.612 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.698 -1.632 7.616 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.591 1.088 9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.286 -0.651 9.640 1.00 0.00 H new ATOM 218 N GLU A 30 13.425 3.518 2.364 1.00 0.00 N ATOM 219 CA GLU A 30 14.518 4.361 1.851 1.00 0.00 C ATOM 220 C GLU A 30 14.283 4.741 0.398 1.00 0.00 C ATOM 221 O GLU A 30 14.065 5.889 0.094 1.00 0.00 O ATOM 222 CB GLU A 30 15.825 3.569 1.960 1.00 0.00 C ATOM 223 CG GLU A 30 16.035 3.167 3.419 1.00 0.00 C ATOM 224 CD GLU A 30 17.519 2.889 3.662 1.00 0.00 C ATOM 225 OE1 GLU A 30 18.137 2.398 2.731 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.951 3.180 4.766 1.00 0.00 O ATOM 0 H GLU A 30 13.708 2.607 2.724 1.00 0.00 H new ATOM 0 HA GLU A 30 14.566 5.279 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.784 2.683 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.663 4.172 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.690 3.962 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.445 2.281 3.652 1.00 0.00 H new ATOM 233 N GLU A 31 14.313 3.773 -0.478 1.00 0.00 N ATOM 234 CA GLU A 31 14.090 4.101 -1.901 1.00 0.00 C ATOM 235 C GLU A 31 12.719 4.720 -2.071 1.00 0.00 C ATOM 236 O GLU A 31 12.580 5.792 -2.639 1.00 0.00 O ATOM 237 CB GLU A 31 14.162 2.806 -2.704 1.00 0.00 C ATOM 238 CG GLU A 31 15.616 2.353 -2.786 1.00 0.00 C ATOM 239 CD GLU A 31 16.328 3.128 -3.896 1.00 0.00 C ATOM 240 OE1 GLU A 31 16.115 2.757 -5.038 1.00 0.00 O ATOM 241 OE2 GLU A 31 17.043 4.051 -3.539 1.00 0.00 O ATOM 0 H GLU A 31 14.480 2.789 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 31 14.845 4.807 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.554 2.035 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.759 2.961 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.115 2.522 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.664 1.283 -2.986 1.00 0.00 H new ATOM 248 N VAL A 32 11.725 4.033 -1.572 1.00 0.00 N ATOM 249 CA VAL A 32 10.348 4.561 -1.687 1.00 0.00 C ATOM 250 C VAL A 32 10.354 6.044 -1.311 1.00 0.00 C ATOM 251 O VAL A 32 10.428 6.898 -2.161 1.00 0.00 O ATOM 252 CB VAL A 32 9.436 3.750 -0.702 1.00 0.00 C ATOM 253 CG1 VAL A 32 8.225 4.585 -0.222 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.905 2.507 -1.424 1.00 0.00 C ATOM 0 H VAL A 32 11.813 3.136 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 32 9.970 4.459 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 32 10.038 3.480 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.618 3.988 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.580 5.476 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.623 4.880 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.270 1.936 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.325 2.812 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.742 1.887 -1.745 1.00 0.00 H new ATOM 264 N ASN A 33 10.347 6.305 -0.038 1.00 0.00 N ATOM 265 CA ASN A 33 10.348 7.717 0.445 1.00 0.00 C ATOM 266 C ASN A 33 11.229 8.640 -0.401 1.00 0.00 C ATOM 267 O ASN A 33 10.733 9.516 -1.087 1.00 0.00 O ATOM 268 CB ASN A 33 10.895 7.715 1.879 1.00 0.00 C ATOM 269 CG ASN A 33 10.566 9.050 2.555 1.00 0.00 C ATOM 270 OD1 ASN A 33 9.685 9.137 3.386 1.00 0.00 O ATOM 271 ND2 ASN A 33 11.250 10.112 2.227 1.00 0.00 N ATOM 0 H ASN A 33 10.341 5.598 0.697 1.00 0.00 H new ATOM 0 HA ASN A 33 9.327 8.095 0.381 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.458 6.892 2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.973 7.557 1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.043 11.008 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.991 10.046 1.530 1.00 0.00 H new ATOM 278 N GLU A 34 12.514 8.433 -0.322 1.00 0.00 N ATOM 279 CA GLU A 34 13.463 9.284 -1.106 1.00 0.00 C ATOM 280 C GLU A 34 12.920 9.671 -2.476 1.00 0.00 C ATOM 281 O GLU A 34 13.298 10.690 -3.017 1.00 0.00 O ATOM 282 CB GLU A 34 14.776 8.508 -1.301 1.00 0.00 C ATOM 283 CG GLU A 34 15.636 8.613 -0.027 1.00 0.00 C ATOM 284 CD GLU A 34 14.734 8.638 1.216 1.00 0.00 C ATOM 285 OE1 GLU A 34 14.444 7.559 1.696 1.00 0.00 O ATOM 286 OE2 GLU A 34 14.394 9.740 1.618 1.00 0.00 O ATOM 0 H GLU A 34 12.952 7.712 0.251 1.00 0.00 H new ATOM 0 HA GLU A 34 13.616 10.204 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.562 7.462 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.323 8.909 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.322 7.768 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.245 9.516 -0.063 1.00 0.00 H new ATOM 293 N LYS A 35 12.050 8.870 -3.017 1.00 0.00 N ATOM 294 CA LYS A 35 11.498 9.218 -4.360 1.00 0.00 C ATOM 295 C LYS A 35 10.220 10.037 -4.278 1.00 0.00 C ATOM 296 O LYS A 35 10.086 11.041 -4.951 1.00 0.00 O ATOM 297 CB LYS A 35 11.199 7.931 -5.128 1.00 0.00 C ATOM 298 CG LYS A 35 12.016 7.924 -6.422 1.00 0.00 C ATOM 299 CD LYS A 35 11.515 9.038 -7.356 1.00 0.00 C ATOM 300 CE LYS A 35 12.720 9.781 -7.930 1.00 0.00 C ATOM 301 NZ LYS A 35 13.604 8.836 -8.669 1.00 0.00 N ATOM 0 H LYS A 35 11.700 8.006 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 35 12.249 9.823 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.450 7.062 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.135 7.866 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.072 8.072 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.927 6.956 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.915 8.614 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.872 9.728 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.383 10.573 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.279 10.259 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.163 9.361 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.244 8.364 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.022 8.123 -9.153 1.00 0.00 H new ATOM 315 N LEU A 36 9.305 9.612 -3.463 1.00 0.00 N ATOM 316 CA LEU A 36 8.035 10.382 -3.352 1.00 0.00 C ATOM 317 C LEU A 36 8.221 11.657 -2.535 1.00 0.00 C ATOM 318 O LEU A 36 7.266 12.349 -2.242 1.00 0.00 O ATOM 319 CB LEU A 36 6.965 9.515 -2.656 1.00 0.00 C ATOM 320 CG LEU A 36 6.790 8.170 -3.412 1.00 0.00 C ATOM 321 CD1 LEU A 36 7.887 7.181 -3.001 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.424 7.563 -3.065 1.00 0.00 C ATOM 0 H LEU A 36 9.374 8.780 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 36 7.724 10.651 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.256 9.325 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.016 10.050 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 36 6.858 8.360 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.751 6.243 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.864 7.600 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.827 6.996 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.300 6.619 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.367 7.386 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.634 8.252 -3.362 1.00 0.00 H new ATOM 334 N ARG A 37 9.440 11.950 -2.182 1.00 0.00 N ATOM 335 CA ARG A 37 9.683 13.177 -1.385 1.00 0.00 C ATOM 336 C ARG A 37 9.007 14.395 -2.003 1.00 0.00 C ATOM 337 O ARG A 37 8.816 15.397 -1.344 1.00 0.00 O ATOM 338 CB ARG A 37 11.201 13.420 -1.299 1.00 0.00 C ATOM 339 CG ARG A 37 11.767 13.661 -2.703 1.00 0.00 C ATOM 340 CD ARG A 37 12.304 15.091 -2.789 1.00 0.00 C ATOM 341 NE ARG A 37 12.646 15.396 -4.207 1.00 0.00 N ATOM 342 CZ ARG A 37 13.068 16.591 -4.523 1.00 0.00 C ATOM 343 NH1 ARG A 37 14.248 16.972 -4.115 1.00 0.00 N ATOM 344 NH2 ARG A 37 12.297 17.367 -5.237 1.00 0.00 N ATOM 0 H ARG A 37 10.268 11.399 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 37 9.259 13.032 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.406 14.280 -0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.691 12.561 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.563 12.947 -2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.991 13.505 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.558 15.796 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.185 15.201 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 37 12.551 14.678 -4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.824 16.340 -3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.594 17.902 -4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.380 17.037 -5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.612 18.303 -5.492 1.00 0.00 H new ATOM 358 N ASP A 38 8.655 14.296 -3.249 1.00 0.00 N ATOM 359 CA ASP A 38 7.989 15.452 -3.903 1.00 0.00 C ATOM 360 C ASP A 38 7.393 15.060 -5.241 1.00 0.00 C ATOM 361 O ASP A 38 7.879 15.467 -6.278 1.00 0.00 O ATOM 362 CB ASP A 38 9.033 16.548 -4.136 1.00 0.00 C ATOM 363 CG ASP A 38 8.325 17.845 -4.539 1.00 0.00 C ATOM 364 OD1 ASP A 38 7.837 18.498 -3.630 1.00 0.00 O ATOM 365 OD2 ASP A 38 8.313 18.109 -5.729 1.00 0.00 O ATOM 0 H ASP A 38 8.797 13.476 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 38 7.186 15.802 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.619 16.706 -3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.729 16.243 -4.917 1.00 0.00 H new ATOM 370 N THR A 39 6.345 14.272 -5.194 1.00 0.00 N ATOM 371 CA THR A 39 5.694 13.837 -6.464 1.00 0.00 C ATOM 372 C THR A 39 4.190 14.054 -6.429 1.00 0.00 C ATOM 373 O THR A 39 3.462 13.297 -5.818 1.00 0.00 O ATOM 374 CB THR A 39 5.965 12.357 -6.658 1.00 0.00 C ATOM 375 OG1 THR A 39 5.935 11.796 -5.362 1.00 0.00 O ATOM 376 CG2 THR A 39 7.399 12.145 -7.148 1.00 0.00 C ATOM 0 H THR A 39 5.918 13.916 -4.339 1.00 0.00 H new ATOM 0 HA THR A 39 6.104 14.430 -7.282 1.00 0.00 H new ATOM 0 HB THR A 39 5.250 11.930 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.068 11.365 -5.212 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.583 11.079 -7.284 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.539 12.662 -8.098 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.098 12.543 -6.412 1.00 0.00 H new ATOM 384 N ALA A 40 3.759 15.086 -7.098 1.00 0.00 N ATOM 385 CA ALA A 40 2.302 15.399 -7.138 1.00 0.00 C ATOM 386 C ALA A 40 1.643 15.192 -5.777 1.00 0.00 C ATOM 387 O ALA A 40 2.312 15.050 -4.773 1.00 0.00 O ATOM 388 CB ALA A 40 1.638 14.455 -8.155 1.00 0.00 C ATOM 0 H ALA A 40 4.354 15.729 -7.621 1.00 0.00 H new ATOM 0 HA ALA A 40 2.178 16.445 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.569 14.665 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.082 14.609 -9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.791 13.421 -7.846 1.00 0.00 H new ATOM 394 N ASP A 41 0.328 15.195 -5.779 1.00 0.00 N ATOM 395 CA ASP A 41 -0.424 15.001 -4.509 1.00 0.00 C ATOM 396 C ASP A 41 -1.206 13.699 -4.550 1.00 0.00 C ATOM 397 O ASP A 41 -2.386 13.668 -4.257 1.00 0.00 O ATOM 398 CB ASP A 41 -1.413 16.167 -4.345 1.00 0.00 C ATOM 399 CG ASP A 41 -1.959 16.170 -2.915 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.885 15.116 -2.304 1.00 0.00 O ATOM 401 OD2 ASP A 41 -2.419 17.227 -2.514 1.00 0.00 O ATOM 0 H ASP A 41 -0.251 15.324 -6.609 1.00 0.00 H new ATOM 0 HA ASP A 41 0.279 14.967 -3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.916 17.113 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.231 16.068 -5.059 1.00 0.00 H new ATOM 406 N GLY A 42 -0.533 12.643 -4.915 1.00 0.00 N ATOM 407 CA GLY A 42 -1.218 11.322 -4.984 1.00 0.00 C ATOM 408 C GLY A 42 -0.377 10.335 -5.795 1.00 0.00 C ATOM 409 O GLY A 42 -0.848 9.758 -6.755 1.00 0.00 O ATOM 0 H GLY A 42 0.455 12.637 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.379 10.934 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.200 11.437 -5.442 1.00 0.00 H new ATOM 413 N THR A 43 0.851 10.156 -5.390 1.00 0.00 N ATOM 414 CA THR A 43 1.731 9.209 -6.130 1.00 0.00 C ATOM 415 C THR A 43 1.538 7.798 -5.581 1.00 0.00 C ATOM 416 O THR A 43 0.931 7.640 -4.554 1.00 0.00 O ATOM 417 CB THR A 43 3.182 9.653 -5.917 1.00 0.00 C ATOM 418 OG1 THR A 43 3.223 10.998 -6.345 1.00 0.00 O ATOM 419 CG2 THR A 43 4.131 8.920 -6.869 1.00 0.00 C ATOM 0 H THR A 43 1.279 10.619 -4.588 1.00 0.00 H new ATOM 0 HA THR A 43 1.486 9.208 -7.192 1.00 0.00 H new ATOM 0 HB THR A 43 3.472 9.474 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.127 11.591 -5.571 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.153 9.256 -6.694 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.067 7.846 -6.692 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.850 9.135 -7.900 1.00 0.00 H new ATOM 427 N PHE A 44 2.045 6.780 -6.267 1.00 0.00 N ATOM 428 CA PHE A 44 1.846 5.404 -5.716 1.00 0.00 C ATOM 429 C PHE A 44 2.751 4.336 -6.337 1.00 0.00 C ATOM 430 O PHE A 44 2.929 4.272 -7.536 1.00 0.00 O ATOM 431 CB PHE A 44 0.392 5.002 -5.982 1.00 0.00 C ATOM 432 CG PHE A 44 0.166 4.874 -7.494 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.106 6.003 -8.296 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.008 3.628 -8.076 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.129 5.883 -9.655 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.242 3.514 -9.429 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.303 4.638 -10.216 1.00 0.00 C ATOM 0 H PHE A 44 2.563 6.846 -7.143 1.00 0.00 H new ATOM 0 HA PHE A 44 2.098 5.448 -4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.169 4.056 -5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.285 5.747 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.243 6.981 -7.859 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.040 2.739 -7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.176 6.766 -10.275 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.378 2.538 -9.872 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.488 4.545 -11.276 1.00 0.00 H new ATOM 447 N LEU A 45 3.309 3.515 -5.467 1.00 0.00 N ATOM 448 CA LEU A 45 4.209 2.421 -5.922 1.00 0.00 C ATOM 449 C LEU A 45 4.136 1.254 -4.923 1.00 0.00 C ATOM 450 O LEU A 45 3.351 1.300 -3.995 1.00 0.00 O ATOM 451 CB LEU A 45 5.661 2.927 -6.014 1.00 0.00 C ATOM 452 CG LEU A 45 5.946 3.975 -4.933 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.775 3.356 -3.539 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.391 4.444 -5.099 1.00 0.00 C ATOM 0 H LEU A 45 3.172 3.565 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 45 3.889 2.085 -6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.350 2.089 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.838 3.358 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 45 5.253 4.810 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.980 4.110 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.753 2.994 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.470 2.525 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.620 5.192 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.065 3.594 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.520 4.880 -6.089 1.00 0.00 H new ATOM 466 N VAL A 46 4.948 0.234 -5.118 1.00 0.00 N ATOM 467 CA VAL A 46 4.910 -0.927 -4.163 1.00 0.00 C ATOM 468 C VAL A 46 6.059 -0.851 -3.160 1.00 0.00 C ATOM 469 O VAL A 46 7.101 -0.298 -3.438 1.00 0.00 O ATOM 470 CB VAL A 46 5.008 -2.252 -4.985 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.967 -3.262 -4.314 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.619 -2.891 -5.058 1.00 0.00 C ATOM 0 H VAL A 46 5.621 0.156 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 46 3.976 -0.898 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 46 5.388 -2.010 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.012 -4.173 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.963 -2.825 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.603 -3.501 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.674 -3.817 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.265 -3.107 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.928 -2.204 -5.546 1.00 0.00 H new ATOM 482 N ARG A 47 5.828 -1.417 -2.010 1.00 0.00 N ATOM 483 CA ARG A 47 6.845 -1.421 -0.951 1.00 0.00 C ATOM 484 C ARG A 47 6.899 -2.816 -0.331 1.00 0.00 C ATOM 485 O ARG A 47 5.921 -3.288 0.213 1.00 0.00 O ATOM 486 CB ARG A 47 6.417 -0.367 0.103 1.00 0.00 C ATOM 487 CG ARG A 47 7.027 -0.663 1.498 1.00 0.00 C ATOM 488 CD ARG A 47 8.564 -0.722 1.413 1.00 0.00 C ATOM 489 NE ARG A 47 9.108 -1.149 2.738 1.00 0.00 N ATOM 490 CZ ARG A 47 8.485 -0.804 3.834 1.00 0.00 C ATOM 491 NH1 ARG A 47 8.230 0.459 4.042 1.00 0.00 N ATOM 492 NH2 ARG A 47 8.134 -1.732 4.682 1.00 0.00 N ATOM 0 H ARG A 47 4.955 -1.884 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 47 7.834 -1.176 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.729 0.624 -0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.330 -0.350 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.725 0.110 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.641 -1.609 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.872 -1.422 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.964 0.254 1.139 1.00 0.00 H new ATOM 0 HE ARG A 47 9.961 -1.707 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.516 1.157 3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.745 0.748 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.347 -2.710 4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.647 -1.479 5.542 1.00 0.00 H new ATOM 506 N ASP A 48 8.036 -3.452 -0.440 1.00 0.00 N ATOM 507 CA ASP A 48 8.191 -4.824 0.130 1.00 0.00 C ATOM 508 C ASP A 48 7.399 -5.017 1.421 1.00 0.00 C ATOM 509 O ASP A 48 7.401 -4.165 2.284 1.00 0.00 O ATOM 510 CB ASP A 48 9.664 -5.032 0.450 1.00 0.00 C ATOM 511 CG ASP A 48 9.795 -5.967 1.653 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.335 -7.088 1.521 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.349 -5.505 2.639 1.00 0.00 O ATOM 0 H ASP A 48 8.866 -3.080 -0.900 1.00 0.00 H new ATOM 0 HA ASP A 48 7.815 -5.537 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.178 -5.456 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.139 -4.075 0.666 1.00 0.00 H new ATOM 518 N ALA A 49 6.732 -6.143 1.529 1.00 0.00 N ATOM 519 CA ALA A 49 5.938 -6.404 2.763 1.00 0.00 C ATOM 520 C ALA A 49 6.797 -7.093 3.804 1.00 0.00 C ATOM 521 O ALA A 49 6.984 -6.593 4.895 1.00 0.00 O ATOM 522 CB ALA A 49 4.772 -7.345 2.422 1.00 0.00 C ATOM 0 H ALA A 49 6.705 -6.880 0.825 1.00 0.00 H new ATOM 0 HA ALA A 49 5.574 -5.452 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.187 -7.540 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.136 -6.879 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.165 -8.285 2.034 1.00 0.00 H new ATOM 616 N ASP A 56 2.566 -10.605 0.458 1.00 0.00 N ATOM 617 CA ASP A 56 2.975 -10.114 -0.873 1.00 0.00 C ATOM 618 C ASP A 56 3.750 -8.801 -0.728 1.00 0.00 C ATOM 619 O ASP A 56 4.952 -8.820 -0.572 1.00 0.00 O ATOM 620 CB ASP A 56 1.710 -9.910 -1.732 1.00 0.00 C ATOM 621 CG ASP A 56 1.694 -10.955 -2.851 1.00 0.00 C ATOM 622 OD1 ASP A 56 2.418 -10.734 -3.808 1.00 0.00 O ATOM 623 OD2 ASP A 56 0.961 -11.916 -2.684 1.00 0.00 O ATOM 0 HA ASP A 56 3.628 -10.840 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.816 -10.005 -1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.700 -8.905 -2.155 1.00 0.00 H new ATOM 628 N TYR A 57 3.055 -7.689 -0.763 1.00 0.00 N ATOM 629 CA TYR A 57 3.749 -6.394 -0.626 1.00 0.00 C ATOM 630 C TYR A 57 2.898 -5.392 0.148 1.00 0.00 C ATOM 631 O TYR A 57 2.020 -5.761 0.902 1.00 0.00 O ATOM 632 CB TYR A 57 4.020 -5.844 -2.028 1.00 0.00 C ATOM 633 CG TYR A 57 4.817 -6.881 -2.844 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.036 -7.350 -2.391 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.326 -7.360 -4.035 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.745 -8.273 -3.113 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.037 -8.288 -4.761 1.00 0.00 C ATOM 638 CZ TYR A 57 6.254 -8.755 -4.307 1.00 0.00 C ATOM 639 OH TYR A 57 6.966 -9.690 -5.036 1.00 0.00 O ATOM 0 H TYR A 57 2.043 -7.634 -0.880 1.00 0.00 H new ATOM 0 HA TYR A 57 4.679 -6.545 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.079 -5.617 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.579 -4.911 -1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.434 -6.984 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.375 -7.005 -4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.697 -8.626 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.639 -8.655 -5.696 1.00 0.00 H new ATOM 0 HH TYR A 57 6.469 -9.918 -5.850 1.00 0.00 H new ATOM 649 N THR A 58 3.181 -4.145 -0.060 1.00 0.00 N ATOM 650 CA THR A 58 2.425 -3.091 0.637 1.00 0.00 C ATOM 651 C THR A 58 2.325 -1.852 -0.240 1.00 0.00 C ATOM 652 O THR A 58 3.325 -1.282 -0.625 1.00 0.00 O ATOM 653 CB THR A 58 3.186 -2.752 1.911 1.00 0.00 C ATOM 654 OG1 THR A 58 2.545 -3.487 2.934 1.00 0.00 O ATOM 655 CG2 THR A 58 2.990 -1.285 2.309 1.00 0.00 C ATOM 0 H THR A 58 3.911 -3.811 -0.689 1.00 0.00 H new ATOM 0 HA THR A 58 1.415 -3.433 0.864 1.00 0.00 H new ATOM 0 HB THR A 58 4.246 -2.962 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.246 -4.350 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.547 -1.078 3.223 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.352 -0.639 1.509 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.931 -1.092 2.479 1.00 0.00 H new ATOM 663 N LEU A 59 1.123 -1.455 -0.541 1.00 0.00 N ATOM 664 CA LEU A 59 0.951 -0.255 -1.393 1.00 0.00 C ATOM 665 C LEU A 59 1.172 1.026 -0.602 1.00 0.00 C ATOM 666 O LEU A 59 0.628 1.198 0.464 1.00 0.00 O ATOM 667 CB LEU A 59 -0.491 -0.243 -1.932 1.00 0.00 C ATOM 668 CG LEU A 59 -0.492 -0.612 -3.426 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.027 -2.066 -3.593 1.00 0.00 C ATOM 670 CD2 LEU A 59 -1.921 -0.474 -3.985 1.00 0.00 C ATOM 0 H LEU A 59 0.261 -1.906 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 59 1.683 -0.298 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.104 -0.950 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.933 0.743 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 59 0.182 0.054 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.027 -2.329 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.981 -2.174 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.704 -2.729 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.924 -0.735 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.590 -1.144 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.261 0.554 -3.864 1.00 0.00 H new ATOM 682 N THR A 60 1.975 1.900 -1.153 1.00 0.00 N ATOM 683 CA THR A 60 2.259 3.191 -0.466 1.00 0.00 C ATOM 684 C THR A 60 1.975 4.342 -1.419 1.00 0.00 C ATOM 685 O THR A 60 2.384 4.307 -2.563 1.00 0.00 O ATOM 686 CB THR A 60 3.740 3.225 -0.051 1.00 0.00 C ATOM 687 OG1 THR A 60 3.743 2.963 1.338 1.00 0.00 O ATOM 688 CG2 THR A 60 4.329 4.655 -0.171 1.00 0.00 C ATOM 0 H THR A 60 2.445 1.773 -2.049 1.00 0.00 H new ATOM 0 HA THR A 60 1.627 3.286 0.417 1.00 0.00 H new ATOM 0 HB THR A 60 4.306 2.529 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.160 3.605 1.793 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.377 4.643 0.130 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.252 4.995 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.773 5.333 0.477 1.00 0.00 H new ATOM 696 N LEU A 61 1.274 5.343 -0.935 1.00 0.00 N ATOM 697 CA LEU A 61 0.955 6.510 -1.817 1.00 0.00 C ATOM 698 C LEU A 61 1.244 7.833 -1.128 1.00 0.00 C ATOM 699 O LEU A 61 1.073 7.972 0.060 1.00 0.00 O ATOM 700 CB LEU A 61 -0.547 6.493 -2.220 1.00 0.00 C ATOM 701 CG LEU A 61 -1.265 5.264 -1.666 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.770 5.435 -1.915 1.00 0.00 C ATOM 703 CD2 LEU A 61 -0.775 4.000 -2.391 1.00 0.00 C ATOM 0 H LEU A 61 0.915 5.401 0.018 1.00 0.00 H new ATOM 0 HA LEU A 61 1.589 6.420 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.033 7.396 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.633 6.506 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.060 5.164 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.304 4.568 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.123 6.334 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.954 5.525 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.291 3.128 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.984 4.088 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.299 3.887 -2.240 1.00 0.00 H new ATOM 715 N ARG A 62 1.672 8.794 -1.910 1.00 0.00 N ATOM 716 CA ARG A 62 1.985 10.121 -1.349 1.00 0.00 C ATOM 717 C ARG A 62 0.755 10.995 -1.291 1.00 0.00 C ATOM 718 O ARG A 62 0.228 11.390 -2.322 1.00 0.00 O ATOM 719 CB ARG A 62 2.992 10.790 -2.279 1.00 0.00 C ATOM 720 CG ARG A 62 3.564 12.046 -1.617 1.00 0.00 C ATOM 721 CD ARG A 62 4.406 11.662 -0.390 1.00 0.00 C ATOM 722 NE ARG A 62 5.494 12.667 -0.222 1.00 0.00 N ATOM 723 CZ ARG A 62 5.707 13.191 0.954 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.283 12.465 1.873 1.00 0.00 N ATOM 725 NH2 ARG A 62 5.336 14.424 1.174 1.00 0.00 N ATOM 0 H ARG A 62 1.815 8.704 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 62 2.374 9.996 -0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.798 10.095 -2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.510 11.053 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.178 12.595 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.753 12.710 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.781 11.630 0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.829 10.666 -0.519 1.00 0.00 H new ATOM 0 HE ARG A 62 6.067 12.943 -1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.559 11.505 1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.458 12.858 2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.887 14.962 0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.495 14.849 2.087 1.00 0.00 H new ATOM 739 N LYS A 63 0.315 11.284 -0.091 1.00 0.00 N ATOM 740 CA LYS A 63 -0.886 12.137 0.063 1.00 0.00 C ATOM 741 C LYS A 63 -0.524 13.601 -0.123 1.00 0.00 C ATOM 742 O LYS A 63 -1.209 14.485 0.351 1.00 0.00 O ATOM 743 CB LYS A 63 -1.443 11.941 1.472 1.00 0.00 C ATOM 744 CG LYS A 63 -2.934 11.590 1.395 1.00 0.00 C ATOM 745 CD LYS A 63 -3.094 10.110 1.026 1.00 0.00 C ATOM 746 CE LYS A 63 -4.578 9.744 1.074 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.333 10.500 0.036 1.00 0.00 N ATOM 0 H LYS A 63 0.739 10.964 0.780 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.625 11.857 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.898 11.146 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.303 12.849 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.415 11.791 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.428 12.216 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.692 9.925 0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.529 9.486 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.700 8.673 0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.982 9.967 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.276 10.079 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.432 11.492 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.819 10.458 -0.867 1.00 0.00 H new ATOM 761 N GLY A 64 0.547 13.822 -0.817 1.00 0.00 N ATOM 762 CA GLY A 64 1.000 15.223 -1.065 1.00 0.00 C ATOM 763 C GLY A 64 1.671 15.821 0.167 1.00 0.00 C ATOM 764 O GLY A 64 1.743 17.025 0.313 1.00 0.00 O ATOM 0 H GLY A 64 1.135 13.096 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.697 15.238 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.146 15.837 -1.349 1.00 0.00 H new ATOM 768 N GLY A 65 2.151 14.980 1.025 1.00 0.00 N ATOM 769 CA GLY A 65 2.819 15.501 2.250 1.00 0.00 C ATOM 770 C GLY A 65 3.346 14.361 3.103 1.00 0.00 C ATOM 771 O GLY A 65 4.447 14.425 3.619 1.00 0.00 O ATOM 0 H GLY A 65 2.114 13.964 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.640 16.161 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.114 16.098 2.828 1.00 0.00 H new ATOM 775 N ASN A 66 2.550 13.343 3.232 1.00 0.00 N ATOM 776 CA ASN A 66 2.969 12.176 4.048 1.00 0.00 C ATOM 777 C ASN A 66 2.738 10.863 3.312 1.00 0.00 C ATOM 778 O ASN A 66 1.666 10.612 2.794 1.00 0.00 O ATOM 779 CB ASN A 66 2.123 12.172 5.319 1.00 0.00 C ATOM 780 CG ASN A 66 2.823 11.334 6.390 1.00 0.00 C ATOM 781 OD1 ASN A 66 3.178 11.822 7.444 1.00 0.00 O ATOM 782 ND2 ASN A 66 3.041 10.067 6.157 1.00 0.00 N ATOM 0 H ASN A 66 1.626 13.268 2.807 1.00 0.00 H new ATOM 0 HA ASN A 66 4.034 12.261 4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.978 13.192 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.134 11.764 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.507 9.492 6.859 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.745 9.653 5.273 1.00 0.00 H new ATOM 789 N ASN A 67 3.756 10.050 3.282 1.00 0.00 N ATOM 790 CA ASN A 67 3.637 8.743 2.593 1.00 0.00 C ATOM 791 C ASN A 67 2.671 7.836 3.338 1.00 0.00 C ATOM 792 O ASN A 67 2.907 7.477 4.474 1.00 0.00 O ATOM 793 CB ASN A 67 5.022 8.081 2.599 1.00 0.00 C ATOM 794 CG ASN A 67 5.553 7.997 1.171 1.00 0.00 C ATOM 795 OD1 ASN A 67 4.956 7.384 0.312 1.00 0.00 O ATOM 796 ND2 ASN A 67 6.673 8.597 0.877 1.00 0.00 N ATOM 0 H ASN A 67 4.665 10.237 3.706 1.00 0.00 H new ATOM 0 HA ASN A 67 3.270 8.898 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.709 8.656 3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.958 7.083 3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.043 8.549 -0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.179 9.114 1.596 1.00 0.00 H new ATOM 803 N LYS A 68 1.598 7.476 2.693 1.00 0.00 N ATOM 804 CA LYS A 68 0.624 6.593 3.367 1.00 0.00 C ATOM 805 C LYS A 68 0.986 5.133 3.129 1.00 0.00 C ATOM 806 O LYS A 68 1.674 4.817 2.179 1.00 0.00 O ATOM 807 CB LYS A 68 -0.769 6.863 2.777 1.00 0.00 C ATOM 808 CG LYS A 68 -1.849 6.427 3.781 1.00 0.00 C ATOM 809 CD LYS A 68 -2.900 5.599 3.048 1.00 0.00 C ATOM 810 CE LYS A 68 -3.996 5.180 4.033 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.365 6.314 4.927 1.00 0.00 N ATOM 0 H LYS A 68 1.360 7.753 1.741 1.00 0.00 H new ATOM 0 HA LYS A 68 0.634 6.792 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.878 7.923 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.889 6.320 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.402 5.842 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.311 7.301 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.331 6.179 2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.439 4.717 2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.875 4.843 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.651 4.337 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.288 6.124 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.644 6.420 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.420 7.191 4.371 1.00 0.00 H new ATOM 825 N LEU A 69 0.510 4.271 3.998 1.00 0.00 N ATOM 826 CA LEU A 69 0.813 2.821 3.850 1.00 0.00 C ATOM 827 C LEU A 69 -0.463 1.985 3.722 1.00 0.00 C ATOM 828 O LEU A 69 -1.409 2.174 4.461 1.00 0.00 O ATOM 829 CB LEU A 69 1.567 2.385 5.119 1.00 0.00 C ATOM 830 CG LEU A 69 2.074 0.947 4.955 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.576 0.903 5.269 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.333 0.041 5.937 1.00 0.00 C ATOM 0 H LEU A 69 -0.073 4.513 4.799 1.00 0.00 H new ATOM 0 HA LEU A 69 1.402 2.665 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.405 3.057 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.908 2.451 5.985 1.00 0.00 H new ATOM 0 HG LEU A 69 1.900 0.609 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.942 -0.117 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.111 1.560 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.743 1.235 6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.688 -0.983 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.518 0.381 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.263 0.078 5.730 1.00 0.00 H new ATOM 844 N ILE A 70 -0.456 1.073 2.773 1.00 0.00 N ATOM 845 CA ILE A 70 -1.651 0.198 2.561 1.00 0.00 C ATOM 846 C ILE A 70 -1.208 -1.251 2.426 1.00 0.00 C ATOM 847 O ILE A 70 -0.290 -1.556 1.692 1.00 0.00 O ATOM 848 CB ILE A 70 -2.369 0.631 1.273 1.00 0.00 C ATOM 849 CG1 ILE A 70 -2.957 2.023 1.471 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.529 -0.359 0.985 1.00 0.00 C ATOM 851 CD1 ILE A 70 -2.397 2.957 0.402 1.00 0.00 C ATOM 0 H ILE A 70 0.325 0.900 2.140 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.326 0.291 3.412 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.662 0.638 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.044 1.985 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.711 2.398 2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.045 -0.060 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.127 -1.365 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.231 -0.349 1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.813 3.955 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.311 3.001 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.666 2.582 -0.586 1.00 0.00 H new ATOM 863 N LYS A 71 -1.870 -2.119 3.132 1.00 0.00 N ATOM 864 CA LYS A 71 -1.497 -3.554 3.058 1.00 0.00 C ATOM 865 C LYS A 71 -2.194 -4.279 1.899 1.00 0.00 C ATOM 866 O LYS A 71 -3.263 -3.898 1.466 1.00 0.00 O ATOM 867 CB LYS A 71 -1.912 -4.227 4.382 1.00 0.00 C ATOM 868 CG LYS A 71 -3.290 -3.703 4.814 1.00 0.00 C ATOM 869 CD LYS A 71 -3.113 -2.651 5.915 1.00 0.00 C ATOM 870 CE LYS A 71 -4.394 -1.821 6.026 1.00 0.00 C ATOM 871 NZ LYS A 71 -4.571 -0.972 4.815 1.00 0.00 N ATOM 0 H LYS A 71 -2.648 -1.899 3.753 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.422 -3.618 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.946 -5.309 4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.173 -4.018 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.810 -3.268 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.906 -4.525 5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.896 -3.136 6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.265 -2.005 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.253 -2.481 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.351 -1.192 6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.321 -0.273 4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.680 -0.479 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.835 -1.571 4.007 1.00 0.00 H new ATOM 885 N ILE A 72 -1.548 -5.318 1.423 1.00 0.00 N ATOM 886 CA ILE A 72 -2.114 -6.116 0.296 1.00 0.00 C ATOM 887 C ILE A 72 -2.659 -7.440 0.850 1.00 0.00 C ATOM 888 O ILE A 72 -2.009 -8.069 1.663 1.00 0.00 O ATOM 889 CB ILE A 72 -0.956 -6.399 -0.684 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.809 -5.243 -1.695 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.220 -7.723 -1.434 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.837 -5.365 -2.839 1.00 0.00 C ATOM 0 H ILE A 72 -0.647 -5.647 1.771 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.922 -5.583 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.029 -6.484 -0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.943 -4.290 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.200 -5.244 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.400 -7.919 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.293 -8.540 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.154 -7.646 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.708 -4.536 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.685 -6.307 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.845 -5.338 -2.426 1.00 0.00 H new ATOM 904 N PHE A 73 -3.843 -7.850 0.404 1.00 0.00 N ATOM 905 CA PHE A 73 -4.404 -9.131 0.928 1.00 0.00 C ATOM 906 C PHE A 73 -4.192 -10.283 -0.048 1.00 0.00 C ATOM 907 O PHE A 73 -4.821 -10.354 -1.086 1.00 0.00 O ATOM 908 CB PHE A 73 -5.920 -8.959 1.186 1.00 0.00 C ATOM 909 CG PHE A 73 -6.284 -7.465 1.281 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.486 -6.586 1.998 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.409 -6.973 0.636 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.805 -5.247 2.065 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.724 -5.628 0.707 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.919 -4.767 1.419 1.00 0.00 C ATOM 0 H PHE A 73 -4.420 -7.360 -0.280 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.882 -9.371 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.487 -9.427 0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.198 -9.467 2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.608 -6.954 2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.043 -7.644 0.075 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.177 -4.572 2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.603 -5.253 0.203 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.163 -3.716 1.470 1.00 0.00 H new ATOM 924 N HIS A 74 -3.295 -11.159 0.322 1.00 0.00 N ATOM 925 CA HIS A 74 -2.982 -12.338 -0.525 1.00 0.00 C ATOM 926 C HIS A 74 -3.298 -13.619 0.258 1.00 0.00 C ATOM 927 O HIS A 74 -3.555 -13.557 1.445 1.00 0.00 O ATOM 928 CB HIS A 74 -1.475 -12.293 -0.835 1.00 0.00 C ATOM 929 CG HIS A 74 -0.937 -13.714 -0.988 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.445 -14.397 -0.065 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.906 -14.519 -2.102 1.00 0.00 C ATOM 932 CE1 HIS A 74 -0.108 -15.549 -0.470 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.363 -15.724 -1.767 1.00 0.00 N ATOM 0 H HIS A 74 -2.760 -11.103 1.189 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.569 -12.326 -1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.299 -11.727 -1.750 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.945 -11.778 -0.034 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.329 -14.069 0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.256 -14.241 -3.085 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.335 -16.303 0.163 1.00 0.00 H new ATOM 941 N ARG A 75 -3.279 -14.754 -0.408 1.00 0.00 N ATOM 942 CA ARG A 75 -3.581 -16.022 0.318 1.00 0.00 C ATOM 943 C ARG A 75 -2.671 -17.164 -0.125 1.00 0.00 C ATOM 944 O ARG A 75 -2.021 -17.786 0.691 1.00 0.00 O ATOM 945 CB ARG A 75 -5.031 -16.413 0.027 1.00 0.00 C ATOM 946 CG ARG A 75 -5.687 -16.865 1.330 1.00 0.00 C ATOM 947 CD ARG A 75 -7.058 -17.459 1.023 1.00 0.00 C ATOM 948 NE ARG A 75 -7.785 -17.678 2.303 1.00 0.00 N ATOM 949 CZ ARG A 75 -8.437 -18.791 2.486 1.00 0.00 C ATOM 950 NH1 ARG A 75 -9.686 -18.856 2.119 1.00 0.00 N ATOM 951 NH2 ARG A 75 -7.817 -19.805 3.027 1.00 0.00 N ATOM 0 H ARG A 75 -3.071 -14.852 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.417 -15.852 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.573 -15.567 -0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.065 -17.214 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.061 -17.605 1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.788 -16.021 2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.624 -16.787 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.949 -18.401 0.485 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.773 -16.963 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.136 -18.044 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.213 -19.719 2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.838 -19.718 3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.312 -20.684 3.178 1.00 0.00 H new ATOM 965 N ASP A 76 -2.644 -17.417 -1.407 1.00 0.00 N ATOM 966 CA ASP A 76 -1.782 -18.518 -1.925 1.00 0.00 C ATOM 967 C ASP A 76 -0.961 -18.048 -3.111 1.00 0.00 C ATOM 968 O ASP A 76 0.177 -18.440 -3.280 1.00 0.00 O ATOM 969 CB ASP A 76 -2.692 -19.658 -2.384 1.00 0.00 C ATOM 970 CG ASP A 76 -2.327 -20.938 -1.629 1.00 0.00 C ATOM 971 OD1 ASP A 76 -1.370 -21.563 -2.055 1.00 0.00 O ATOM 972 OD2 ASP A 76 -3.028 -21.219 -0.671 1.00 0.00 O ATOM 0 H ASP A 76 -3.178 -16.912 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.103 -18.843 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.735 -19.401 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.585 -19.813 -3.458 1.00 0.00 H new ATOM 977 N GLY A 77 -1.556 -17.219 -3.912 1.00 0.00 N ATOM 978 CA GLY A 77 -0.835 -16.702 -5.100 1.00 0.00 C ATOM 979 C GLY A 77 -1.663 -15.612 -5.774 1.00 0.00 C ATOM 980 O GLY A 77 -1.229 -15.002 -6.731 1.00 0.00 O ATOM 0 H GLY A 77 -2.510 -16.877 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.135 -16.303 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.644 -17.513 -5.803 1.00 0.00 H new ATOM 984 N LYS A 78 -2.849 -15.392 -5.252 1.00 0.00 N ATOM 985 CA LYS A 78 -3.726 -14.355 -5.834 1.00 0.00 C ATOM 986 C LYS A 78 -3.660 -13.065 -5.025 1.00 0.00 C ATOM 987 O LYS A 78 -2.803 -12.906 -4.184 1.00 0.00 O ATOM 988 CB LYS A 78 -5.170 -14.892 -5.853 1.00 0.00 C ATOM 989 CG LYS A 78 -5.249 -16.192 -5.039 1.00 0.00 C ATOM 990 CD LYS A 78 -6.711 -16.665 -4.971 1.00 0.00 C ATOM 991 CE LYS A 78 -6.890 -17.894 -5.865 1.00 0.00 C ATOM 992 NZ LYS A 78 -8.335 -18.242 -5.982 1.00 0.00 N ATOM 0 H LYS A 78 -3.236 -15.890 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.393 -14.129 -6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.850 -14.149 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.487 -15.075 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.628 -16.960 -5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.861 -16.028 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.979 -16.908 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.379 -15.866 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.475 -17.697 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.338 -18.737 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.443 -19.078 -6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.720 -18.450 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.852 -17.441 -6.398 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.569 -12.158 -5.304 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.571 -10.867 -4.566 1.00 0.00 C ATOM 1008 C TYR A 79 -5.954 -10.479 -4.088 1.00 0.00 C ATOM 1009 O TYR A 79 -6.952 -10.976 -4.567 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.103 -9.780 -5.536 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.589 -9.817 -5.662 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.972 -10.837 -6.349 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.824 -8.812 -5.125 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.612 -10.856 -6.504 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.459 -8.825 -5.281 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.162 -9.847 -5.971 1.00 0.00 C ATOM 1017 OH TYR A 79 1.534 -9.854 -6.129 1.00 0.00 O ATOM 0 H TYR A 79 -5.301 -12.261 -6.006 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.923 -10.972 -3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.562 -9.930 -6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.423 -8.801 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.568 -11.633 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.296 -8.009 -4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.144 -11.664 -7.046 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.135 -8.027 -4.859 1.00 0.00 H new ATOM 0 HH TYR A 79 1.955 -10.202 -5.315 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.975 -9.573 -3.159 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.264 -9.106 -2.608 1.00 0.00 C ATOM 1029 C GLY A 80 -7.192 -7.615 -2.392 1.00 0.00 C ATOM 1030 O GLY A 80 -6.319 -7.130 -1.694 1.00 0.00 O ATOM 0 H GLY A 80 -5.147 -9.134 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.077 -9.349 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.478 -9.613 -1.667 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.090 -6.909 -3.011 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.089 -5.448 -2.853 1.00 0.00 C ATOM 1036 C PHE A 81 -9.500 -4.900 -2.878 1.00 0.00 C ATOM 1037 O PHE A 81 -9.788 -3.881 -2.280 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.298 -4.843 -4.009 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.289 -3.856 -3.436 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.221 -4.300 -2.673 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.466 -2.500 -3.614 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.360 -3.397 -2.096 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.602 -1.603 -3.036 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.551 -2.051 -2.275 1.00 0.00 C ATOM 0 H PHE A 81 -8.820 -7.286 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.638 -5.192 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.787 -5.626 -4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.969 -4.339 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.064 -5.359 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.290 -2.141 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.531 -3.749 -1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.750 -0.543 -3.180 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.875 -1.344 -1.818 1.00 0.00 H new ATOM 1054 N SER A 82 -10.358 -5.584 -3.566 1.00 0.00 N ATOM 1055 CA SER A 82 -11.766 -5.115 -3.643 1.00 0.00 C ATOM 1056 C SER A 82 -12.737 -6.268 -3.876 1.00 0.00 C ATOM 1057 O SER A 82 -13.936 -6.083 -3.810 1.00 0.00 O ATOM 1058 CB SER A 82 -11.885 -4.138 -4.812 1.00 0.00 C ATOM 1059 OG SER A 82 -12.348 -2.935 -4.216 1.00 0.00 O ATOM 0 H SER A 82 -10.152 -6.442 -4.077 1.00 0.00 H new ATOM 0 HA SER A 82 -12.021 -4.642 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.926 -3.993 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.582 -4.503 -5.566 1.00 0.00 H new ATOM 0 HG SER A 82 -12.152 -2.180 -4.809 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.200 -7.433 -4.147 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.075 -8.615 -4.390 1.00 0.00 C ATOM 1067 C ASP A 83 -12.641 -9.796 -3.496 1.00 0.00 C ATOM 1068 O ASP A 83 -11.616 -9.727 -2.847 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.911 -9.009 -5.870 1.00 0.00 C ATOM 1070 CG ASP A 83 -14.237 -8.784 -6.609 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.851 -7.769 -6.322 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.558 -9.640 -7.417 1.00 0.00 O ATOM 0 H ASP A 83 -11.198 -7.613 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.112 -8.372 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.121 -8.416 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.612 -10.054 -5.948 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.462 -10.857 -3.443 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.137 -12.033 -2.624 1.00 0.00 C ATOM 1079 C PRO A 84 -11.917 -12.805 -3.185 1.00 0.00 C ATOM 1080 O PRO A 84 -11.889 -14.020 -3.188 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.410 -12.924 -2.692 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.403 -12.246 -3.682 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.771 -10.922 -4.134 1.00 0.00 C ATOM 0 HA PRO A 84 -12.871 -11.747 -1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.157 -13.929 -3.030 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.861 -13.024 -1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.592 -12.893 -4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.364 -12.067 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.646 -10.895 -5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.400 -10.074 -3.865 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.931 -12.075 -3.645 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.718 -12.733 -4.202 1.00 0.00 C ATOM 1093 C LEU A 85 -10.094 -13.707 -5.308 1.00 0.00 C ATOM 1094 O LEU A 85 -10.268 -14.888 -5.077 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.979 -13.497 -3.058 1.00 0.00 C ATOM 1096 CG LEU A 85 -8.054 -12.522 -2.287 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -8.349 -12.586 -0.793 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.598 -12.914 -2.508 1.00 0.00 C ATOM 0 H LEU A 85 -10.917 -11.055 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.064 -11.970 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.705 -13.940 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.393 -14.316 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.233 -11.512 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.692 -11.896 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.388 -12.308 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.178 -13.600 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.950 -12.227 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.435 -13.929 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.366 -12.867 -3.572 1.00 0.00 H new ATOM 1110 N THR A 86 -10.211 -13.178 -6.500 1.00 0.00 N ATOM 1111 CA THR A 86 -10.573 -14.027 -7.658 1.00 0.00 C ATOM 1112 C THR A 86 -9.875 -13.532 -8.926 1.00 0.00 C ATOM 1113 O THR A 86 -9.658 -14.288 -9.853 1.00 0.00 O ATOM 1114 CB THR A 86 -12.089 -13.942 -7.863 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.651 -14.112 -6.575 1.00 0.00 O ATOM 1116 CG2 THR A 86 -12.601 -15.143 -8.670 1.00 0.00 C ATOM 0 H THR A 86 -10.069 -12.191 -6.714 1.00 0.00 H new ATOM 0 HA THR A 86 -10.262 -15.053 -7.463 1.00 0.00 H new ATOM 0 HB THR A 86 -12.341 -13.009 -8.367 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.628 -14.066 -6.636 1.00 0.00 H new ATOM 0 HG21 THR A 86 -13.680 -15.059 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.116 -15.159 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.371 -16.065 -8.136 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.536 -12.265 -8.943 1.00 0.00 N ATOM 1125 CA PHE A 87 -8.852 -11.707 -10.140 1.00 0.00 C ATOM 1126 C PHE A 87 -7.381 -12.081 -10.120 1.00 0.00 C ATOM 1127 O PHE A 87 -6.800 -12.398 -11.134 1.00 0.00 O ATOM 1128 CB PHE A 87 -8.994 -10.178 -10.116 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.607 -9.653 -8.735 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.517 -9.671 -7.693 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.345 -9.135 -8.514 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -9.165 -9.177 -6.455 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -7.000 -8.642 -7.278 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.905 -8.661 -6.251 1.00 0.00 C ATOM 0 H PHE A 87 -9.703 -11.603 -8.185 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.304 -12.113 -11.045 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.357 -9.731 -10.879 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.020 -9.893 -10.351 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.507 -10.074 -7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.624 -9.117 -9.318 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.878 -9.195 -5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.011 -8.238 -7.117 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.631 -8.272 -5.282 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.816 -12.014 -8.954 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.376 -12.358 -8.778 1.00 0.00 C ATOM 1146 C ASN A 88 -4.424 -11.324 -9.356 1.00 0.00 C ATOM 1147 O ASN A 88 -3.468 -10.953 -8.722 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.106 -13.714 -9.460 1.00 0.00 C ATOM 1149 CG ASN A 88 -6.324 -14.631 -9.286 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.480 -15.611 -9.987 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -7.206 -14.353 -8.362 1.00 0.00 N ATOM 0 H ASN A 88 -7.295 -11.731 -8.099 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.189 -12.394 -7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.900 -13.564 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.222 -14.181 -9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.018 -14.957 -8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.082 -13.532 -7.769 1.00 0.00 H new ATOM 1158 N SER A 89 -4.685 -10.868 -10.521 1.00 0.00 N ATOM 1159 CA SER A 89 -3.757 -9.857 -11.103 1.00 0.00 C ATOM 1160 C SER A 89 -4.091 -8.451 -10.671 1.00 0.00 C ATOM 1161 O SER A 89 -5.220 -7.993 -10.775 1.00 0.00 O ATOM 1162 CB SER A 89 -3.823 -9.920 -12.613 1.00 0.00 C ATOM 1163 OG SER A 89 -4.801 -10.914 -12.886 1.00 0.00 O ATOM 0 H SER A 89 -5.481 -11.134 -11.101 1.00 0.00 H new ATOM 0 HA SER A 89 -2.757 -10.096 -10.741 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.106 -8.957 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.857 -10.186 -13.042 1.00 0.00 H new ATOM 0 HG SER A 89 -4.904 -11.014 -13.855 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.087 -7.772 -10.237 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.295 -6.389 -9.788 1.00 0.00 C ATOM 1171 C VAL A 90 -3.329 -5.477 -10.981 1.00 0.00 C ATOM 1172 O VAL A 90 -4.046 -4.498 -11.004 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.137 -5.982 -8.866 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.565 -4.764 -8.045 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.816 -7.140 -7.917 1.00 0.00 C ATOM 0 H VAL A 90 -2.129 -8.116 -10.173 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.239 -6.314 -9.248 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.256 -5.741 -9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.750 -4.465 -7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.809 -3.941 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.441 -5.017 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.994 -6.855 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.696 -7.373 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.530 -8.017 -8.497 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.555 -5.820 -11.964 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.526 -4.988 -13.173 1.00 0.00 C ATOM 1187 C VAL A 91 -3.936 -4.843 -13.689 1.00 0.00 C ATOM 1188 O VAL A 91 -4.303 -3.832 -14.245 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.665 -5.701 -14.239 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.122 -4.679 -15.248 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.488 -6.412 -13.563 1.00 0.00 C ATOM 0 H VAL A 91 -1.946 -6.638 -11.977 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.108 -4.006 -12.953 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.285 -6.430 -14.760 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.516 -5.192 -15.995 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.954 -4.175 -15.739 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.509 -3.943 -14.727 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.117 -6.914 -14.319 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.124 -5.681 -13.035 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.866 -7.148 -12.854 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.702 -5.874 -13.489 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.098 -5.845 -13.946 1.00 0.00 C ATOM 1203 C GLU A 92 -6.882 -4.916 -13.048 1.00 0.00 C ATOM 1204 O GLU A 92 -7.588 -4.043 -13.511 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.669 -7.266 -13.828 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.086 -7.299 -14.398 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.038 -7.012 -15.900 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.843 -7.971 -16.628 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -8.201 -5.850 -16.235 1.00 0.00 O ATOM 0 H GLU A 92 -4.413 -6.735 -13.026 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.161 -5.498 -14.977 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.034 -7.970 -14.366 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.679 -7.579 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.540 -8.274 -14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.709 -6.559 -13.895 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.747 -5.126 -11.765 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.473 -4.261 -10.810 1.00 0.00 C ATOM 1218 C LEU A 93 -7.026 -2.820 -10.997 1.00 0.00 C ATOM 1219 O LEU A 93 -7.770 -1.989 -11.480 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.108 -4.718 -9.381 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.758 -3.781 -8.350 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.595 -4.607 -7.387 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.665 -3.058 -7.557 1.00 0.00 C ATOM 0 H LEU A 93 -6.169 -5.855 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.548 -4.332 -10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.447 -5.741 -9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.025 -4.717 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.385 -3.052 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.060 -3.949 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.370 -5.137 -7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.957 -5.328 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.125 -2.393 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.044 -3.791 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.046 -2.474 -8.239 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.816 -2.559 -10.596 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.266 -1.194 -10.725 1.00 0.00 C ATOM 1237 C ILE A 94 -5.679 -0.563 -12.053 1.00 0.00 C ATOM 1238 O ILE A 94 -5.975 0.607 -12.112 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.713 -1.307 -10.623 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.146 -0.350 -9.558 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -3.033 -0.993 -11.984 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.738 1.070 -9.696 1.00 0.00 C ATOM 0 H ILE A 94 -5.183 -3.242 -10.181 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.654 -0.551 -9.935 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.496 -2.336 -10.336 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.364 -0.741 -8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.061 -0.303 -9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.952 -1.080 -11.879 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.383 -1.699 -12.737 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.287 0.021 -12.292 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.314 1.717 -8.928 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.497 1.470 -10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.821 1.026 -9.577 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.708 -1.351 -13.093 1.00 0.00 N ATOM 1255 CA ASN A 95 -6.104 -0.790 -14.406 1.00 0.00 C ATOM 1256 C ASN A 95 -7.551 -0.324 -14.368 1.00 0.00 C ATOM 1257 O ASN A 95 -7.887 0.718 -14.904 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.961 -1.885 -15.475 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.617 -1.411 -16.770 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -6.192 -0.450 -17.378 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -7.653 -2.056 -17.226 1.00 0.00 N ATOM 0 H ASN A 95 -5.477 -2.345 -13.088 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.463 0.060 -14.640 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.908 -2.107 -15.647 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.429 -2.808 -15.133 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.103 -1.753 -18.090 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.014 -2.864 -16.719 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.388 -1.101 -13.728 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.815 -0.715 -13.645 1.00 0.00 C ATOM 1270 C HIS A 96 -9.975 0.562 -12.838 1.00 0.00 C ATOM 1271 O HIS A 96 -10.954 1.267 -12.981 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.587 -1.843 -12.940 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.694 -2.356 -13.864 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -11.509 -3.062 -14.874 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -13.062 -2.169 -13.792 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -12.601 -3.347 -15.452 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.656 -2.817 -14.833 1.00 0.00 N ATOM 0 H HIS A 96 -8.141 -1.976 -13.266 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.199 -0.550 -14.651 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.909 -2.656 -12.681 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.017 -1.477 -12.008 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -13.577 -1.600 -13.032 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -12.669 -3.951 -16.345 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.645 -2.880 -15.074 1.00 0.00 H new ATOM 1285 N TYR A 97 -9.001 0.839 -12.003 1.00 0.00 N ATOM 1286 CA TYR A 97 -9.074 2.066 -11.174 1.00 0.00 C ATOM 1287 C TYR A 97 -8.176 3.162 -11.728 1.00 0.00 C ATOM 1288 O TYR A 97 -8.362 4.326 -11.436 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.604 1.716 -9.759 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.785 1.159 -8.964 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.888 1.943 -8.720 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.763 -0.130 -8.486 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.957 1.452 -8.009 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.833 -0.627 -7.773 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.940 0.162 -7.527 1.00 0.00 C ATOM 1296 OH TYR A 97 -13.010 -0.334 -6.809 1.00 0.00 O ATOM 0 H TYR A 97 -8.167 0.268 -11.866 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.101 2.430 -11.175 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.799 0.982 -9.801 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.203 2.602 -9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.915 2.957 -9.091 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.903 -0.756 -8.670 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.815 2.082 -7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.806 -1.642 -7.404 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.827 -1.261 -6.548 1.00 0.00 H new ATOM 1306 N ARG A 98 -7.220 2.774 -12.520 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.307 3.779 -13.098 1.00 0.00 C ATOM 1308 C ARG A 98 -7.051 4.638 -14.105 1.00 0.00 C ATOM 1309 O ARG A 98 -6.795 5.819 -14.232 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.162 3.031 -13.805 1.00 0.00 C ATOM 1311 CG ARG A 98 -4.081 4.031 -14.242 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.738 3.296 -14.427 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.124 3.719 -15.718 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.213 2.964 -16.272 1.00 0.00 C ATOM 1315 NH1 ARG A 98 0.032 3.106 -15.905 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -1.576 2.092 -17.173 1.00 0.00 N ATOM 0 H ARG A 98 -7.036 1.807 -12.788 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.915 4.425 -12.313 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.733 2.287 -13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.546 2.494 -14.672 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.374 4.514 -15.174 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.976 4.818 -13.495 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.067 3.525 -13.599 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.896 2.217 -14.421 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.412 4.590 -16.164 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.279 3.797 -15.197 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.757 2.526 -16.326 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.558 2.008 -17.435 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.877 1.495 -17.615 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.966 4.025 -14.801 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.747 4.780 -15.805 1.00 0.00 C ATOM 1332 C ASN A 99 -9.967 5.416 -15.152 1.00 0.00 C ATOM 1333 O ASN A 99 -10.529 6.363 -15.665 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.221 3.800 -16.876 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.620 4.193 -18.229 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -7.418 4.271 -18.386 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.421 4.446 -19.227 1.00 0.00 N ATOM 0 H ASN A 99 -8.203 3.037 -14.715 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.125 5.563 -16.238 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.921 2.785 -16.614 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.309 3.806 -16.934 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.037 4.708 -20.135 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.431 4.382 -19.099 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.347 4.871 -14.023 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.528 5.409 -13.295 1.00 0.00 C ATOM 1346 C GLU A 100 -11.108 6.185 -12.047 1.00 0.00 C ATOM 1347 O GLU A 100 -10.732 7.336 -12.132 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.409 4.221 -12.875 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.917 3.508 -14.131 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.308 2.929 -13.859 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.498 2.480 -12.741 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -15.102 2.970 -14.786 1.00 0.00 O ATOM 0 H GLU A 100 -9.888 4.077 -13.577 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.068 6.092 -13.950 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.838 3.530 -12.255 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -13.249 4.569 -12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.959 4.206 -14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.229 2.712 -14.414 1.00 0.00 H new ATOM 1359 N SER A 101 -11.177 5.538 -10.916 1.00 0.00 N ATOM 1360 CA SER A 101 -10.790 6.217 -9.648 1.00 0.00 C ATOM 1361 C SER A 101 -11.235 5.388 -8.463 1.00 0.00 C ATOM 1362 O SER A 101 -12.305 4.811 -8.479 1.00 0.00 O ATOM 1363 CB SER A 101 -11.501 7.574 -9.576 1.00 0.00 C ATOM 1364 OG SER A 101 -11.637 7.818 -8.184 1.00 0.00 O ATOM 0 H SER A 101 -11.484 4.571 -10.815 1.00 0.00 H new ATOM 0 HA SER A 101 -9.708 6.344 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.918 8.356 -10.063 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.471 7.543 -10.072 1.00 0.00 H new ATOM 0 HG SER A 101 -12.086 8.678 -8.045 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.420 5.330 -7.457 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.803 4.534 -6.273 1.00 0.00 C ATOM 1372 C LEU A 102 -11.796 5.300 -5.420 1.00 0.00 C ATOM 1373 O LEU A 102 -11.506 5.683 -4.303 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.539 4.232 -5.448 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.568 3.409 -6.311 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.501 4.326 -6.874 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -7.891 2.340 -5.453 1.00 0.00 C ATOM 0 H LEU A 102 -9.514 5.795 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.270 3.604 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.066 5.161 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.801 3.681 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.123 2.934 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.810 3.747 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.970 5.097 -7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.955 4.794 -6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.204 1.760 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.338 2.819 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.648 1.678 -5.032 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.511 9.079 -6.601 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.084 8.667 -7.969 1.00 0.00 C ATOM 1536 C LYS A 112 -5.565 8.509 -8.006 1.00 0.00 C ATOM 1537 O LYS A 112 -4.854 9.327 -7.454 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.486 9.775 -8.962 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.097 10.952 -8.193 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.431 12.077 -9.176 1.00 0.00 C ATOM 1541 CE LYS A 112 -9.510 12.974 -8.562 1.00 0.00 C ATOM 1542 NZ LYS A 112 -10.835 12.292 -8.587 1.00 0.00 N ATOM 0 HA LYS A 112 -7.558 7.722 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.614 10.108 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.203 9.387 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.998 10.631 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.398 11.309 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.538 12.661 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.781 11.660 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.242 13.223 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.567 13.913 -9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.592 13.003 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.925 11.741 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.913 11.655 -7.768 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.091 7.463 -8.658 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.608 7.250 -8.731 1.00 0.00 C ATOM 1558 C LEU A 113 -3.106 7.225 -10.174 1.00 0.00 C ATOM 1559 O LEU A 113 -2.777 6.180 -10.704 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.253 5.901 -8.045 1.00 0.00 C ATOM 1561 CG LEU A 113 -4.437 4.941 -8.106 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -4.735 4.585 -9.566 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.080 3.665 -7.340 1.00 0.00 C ATOM 0 H LEU A 113 -5.659 6.762 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.124 8.083 -8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.389 5.453 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.974 6.077 -7.006 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.314 5.411 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.581 3.899 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.976 5.492 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.860 4.110 -10.010 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.920 2.971 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.205 3.200 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.860 3.913 -6.302 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.071 8.387 -10.784 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.597 8.476 -12.181 1.00 0.00 C ATOM 1577 C LEU A 114 -1.229 9.145 -12.230 1.00 0.00 C ATOM 1578 O LEU A 114 -0.874 9.778 -13.205 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.597 9.322 -12.979 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.927 8.564 -13.096 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -5.873 9.005 -11.976 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.557 8.896 -14.436 1.00 0.00 C ATOM 0 H LEU A 114 -3.353 9.273 -10.364 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.516 7.475 -12.604 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.754 10.281 -12.485 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.199 9.536 -13.971 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.748 7.492 -13.015 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.816 8.465 -12.062 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.418 8.789 -11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.059 10.076 -12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.504 8.365 -14.535 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.735 9.970 -14.498 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.885 8.593 -15.239 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.489 8.990 -11.163 1.00 0.00 N ATOM 1595 CA TYR A 115 0.868 9.600 -11.105 1.00 0.00 C ATOM 1596 C TYR A 115 1.849 8.642 -10.427 1.00 0.00 C ATOM 1597 O TYR A 115 2.298 8.886 -9.335 1.00 0.00 O ATOM 1598 CB TYR A 115 0.789 10.883 -10.264 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.400 11.720 -10.723 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -0.269 12.597 -11.778 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.617 11.614 -10.085 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.341 13.361 -12.190 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.690 12.377 -10.495 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.561 13.258 -11.551 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.633 14.024 -11.959 1.00 0.00 O ATOM 0 H TYR A 115 -0.767 8.468 -10.332 1.00 0.00 H new ATOM 0 HA TYR A 115 1.210 9.814 -12.118 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.685 10.633 -9.208 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.711 11.455 -10.367 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.680 12.687 -12.286 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.731 10.929 -9.258 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.225 14.045 -13.018 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.638 12.285 -9.987 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.411 13.822 -11.399 1.00 0.00 H new ATOM 1615 N PRO A 116 2.167 7.559 -11.109 1.00 0.00 N ATOM 1616 CA PRO A 116 3.090 6.557 -10.580 1.00 0.00 C ATOM 1617 C PRO A 116 4.539 7.009 -10.682 1.00 0.00 C ATOM 1618 O PRO A 116 4.824 8.093 -11.148 1.00 0.00 O ATOM 1619 CB PRO A 116 2.889 5.343 -11.493 1.00 0.00 C ATOM 1620 CG PRO A 116 2.092 5.836 -12.744 1.00 0.00 C ATOM 1621 CD PRO A 116 1.627 7.261 -12.443 1.00 0.00 C ATOM 0 HA PRO A 116 2.895 6.361 -9.526 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.849 4.921 -11.790 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.342 4.556 -10.973 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.720 5.815 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.240 5.185 -12.940 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.001 7.964 -13.187 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.539 7.333 -12.454 1.00 0.00 H new ATOM 1629 N VAL A 117 5.429 6.159 -10.237 1.00 0.00 N ATOM 1630 CA VAL A 117 6.867 6.505 -10.295 1.00 0.00 C ATOM 1631 C VAL A 117 7.681 5.277 -10.655 1.00 0.00 C ATOM 1632 O VAL A 117 7.537 4.242 -10.047 1.00 0.00 O ATOM 1633 CB VAL A 117 7.341 7.003 -8.923 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.415 8.527 -8.944 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.367 6.560 -7.825 1.00 0.00 C ATOM 0 H VAL A 117 5.216 5.245 -9.838 1.00 0.00 H new ATOM 0 HA VAL A 117 7.003 7.282 -11.047 1.00 0.00 H new ATOM 0 HB VAL A 117 8.324 6.580 -8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.751 8.888 -7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.118 8.847 -9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.428 8.936 -9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.719 6.922 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.378 6.971 -8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.311 5.472 -7.806 1.00 0.00 H new ATOM 1645 N SER A 118 8.513 5.403 -11.641 1.00 0.00 N ATOM 1646 CA SER A 118 9.322 4.261 -12.035 1.00 0.00 C ATOM 1647 C SER A 118 10.575 4.692 -12.786 1.00 0.00 C ATOM 1648 O SER A 118 10.822 5.869 -12.968 1.00 0.00 O ATOM 1649 CB SER A 118 8.473 3.428 -12.962 1.00 0.00 C ATOM 1650 OG SER A 118 7.510 4.344 -13.463 1.00 0.00 O ATOM 0 H SER A 118 8.658 6.254 -12.184 1.00 0.00 H new ATOM 0 HA SER A 118 9.637 3.713 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.068 2.995 -13.766 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.000 2.600 -12.434 1.00 0.00 H new ATOM 0 HG SER A 118 6.910 3.881 -14.084 1.00 0.00 H new