USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 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 93 GLN : amide:sc= -5.32! K(o=-5.3!,f=-0.24) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 80 ASN : amide:sc= -4.36! K(o=-4.4!,f=-0.27) USER MOD Single : A 6 ASN : amide:sc= -8.3! C(o=-8.3!,f=-7.1!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.973 K(o=-0.97,f=0) USER MOD Single : A 13 ASN : amide:sc= -3.39 K(o=-3.4,f=-4.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= -0.0743 (180deg=-0.629) USER MOD Single : A 22 ASN : amide:sc= -7.51! C(o=-7.5!,f=-4.8!) USER MOD Single : A 25 GLN : amide:sc= -0.906! K(o=-0.91!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 52:sc= 0.389 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 144:sc= -0.119 (180deg=-1.63!) USER MOD Single : A 41 GLN : amide:sc= -4.66! C(o=-4.7!,f=-5.2!) USER MOD Single : A 42 LYS NZ :NH3+ -139:sc= 0.34 (180deg=-0.046) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0715) USER MOD Single : A 51 LYS NZ :NH3+ -135:sc=-0.00753 (180deg=-0.919) USER MOD Single : A 52 SER OG : rot 180:sc= -0.55 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.182) USER MOD Single : A 63 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-4.7!) USER MOD Single : A 71 GLN : amide:sc= -7.62! C(o=-7.6!,f=-10!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00592) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc=-0.00945 X(o=-0.0095,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 76:sc= 0.579 USER MOD Single : A 101 TYR OH : rot -169:sc= 0.838 USER MOD Single : A 102 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2!) USER MOD Single : A 103 GLN : amide:sc= -10.1! C(o=-10!,f=-5.5!) USER MOD Single : A 104 LYS NZ :NH3+ -120:sc= -0.853 (180deg=-2.98!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 12.120 6.090 10.338 1.00 0.00 N ATOM 14 CA ASP A 2 11.007 5.109 10.469 1.00 0.00 C ATOM 15 C ASP A 2 10.091 5.227 9.258 1.00 0.00 C ATOM 16 O ASP A 2 9.231 4.401 9.024 1.00 0.00 O ATOM 17 CB ASP A 2 10.190 5.465 11.711 1.00 0.00 C ATOM 18 CG ASP A 2 10.857 4.885 12.962 1.00 0.00 C ATOM 19 OD1 ASP A 2 12.029 4.558 12.888 1.00 0.00 O ATOM 20 OD2 ASP A 2 10.181 4.778 13.973 1.00 0.00 O ATOM 0 HA ASP A 2 11.412 4.100 10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.106 6.548 11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.177 5.074 11.614 1.00 0.00 H new ATOM 25 N LEU A 3 10.261 6.265 8.501 1.00 0.00 N ATOM 26 CA LEU A 3 9.393 6.473 7.310 1.00 0.00 C ATOM 27 C LEU A 3 9.998 5.751 6.110 1.00 0.00 C ATOM 28 O LEU A 3 9.351 4.961 5.456 1.00 0.00 O ATOM 29 CB LEU A 3 9.290 7.970 6.998 1.00 0.00 C ATOM 30 CG LEU A 3 8.779 8.735 8.227 1.00 0.00 C ATOM 31 CD1 LEU A 3 8.799 10.236 7.929 1.00 0.00 C ATOM 32 CD2 LEU A 3 7.342 8.298 8.560 1.00 0.00 C ATOM 0 H LEU A 3 10.967 6.985 8.653 1.00 0.00 H new ATOM 0 HA LEU A 3 8.399 6.077 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.266 8.355 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.616 8.128 6.156 1.00 0.00 H new ATOM 0 HG LEU A 3 9.423 8.518 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.437 10.784 8.799 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.818 10.548 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.156 10.446 7.074 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.988 8.846 9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.692 8.509 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.327 7.229 8.772 1.00 0.00 H new ATOM 44 N GLU A 4 11.246 6.004 5.830 1.00 0.00 N ATOM 45 CA GLU A 4 11.898 5.321 4.687 1.00 0.00 C ATOM 46 C GLU A 4 11.902 3.840 5.001 1.00 0.00 C ATOM 47 O GLU A 4 11.967 2.991 4.130 1.00 0.00 O ATOM 48 CB GLU A 4 13.339 5.812 4.546 1.00 0.00 C ATOM 49 CG GLU A 4 13.363 7.342 4.573 1.00 0.00 C ATOM 50 CD GLU A 4 12.543 7.887 3.401 1.00 0.00 C ATOM 51 OE1 GLU A 4 12.767 7.440 2.288 1.00 0.00 O ATOM 52 OE2 GLU A 4 11.705 8.741 3.637 1.00 0.00 O ATOM 0 H GLU A 4 11.839 6.654 6.345 1.00 0.00 H new ATOM 0 HA GLU A 4 11.368 5.527 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.951 5.414 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.769 5.448 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.955 7.706 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.390 7.701 4.510 1.00 0.00 H new ATOM 59 N ASP A 5 11.830 3.534 6.259 1.00 0.00 N ATOM 60 CA ASP A 5 11.832 2.117 6.670 1.00 0.00 C ATOM 61 C ASP A 5 10.479 1.491 6.305 1.00 0.00 C ATOM 62 O ASP A 5 10.410 0.462 5.665 1.00 0.00 O ATOM 63 CB ASP A 5 12.064 2.080 8.181 1.00 0.00 C ATOM 64 CG ASP A 5 11.542 0.773 8.789 1.00 0.00 C ATOM 65 OD1 ASP A 5 12.256 -0.215 8.722 1.00 0.00 O ATOM 66 OD2 ASP A 5 10.439 0.783 9.310 1.00 0.00 O ATOM 0 H ASP A 5 11.770 4.209 7.021 1.00 0.00 H new ATOM 0 HA ASP A 5 12.615 1.551 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.129 2.182 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.564 2.928 8.649 1.00 0.00 H new ATOM 71 N ASN A 6 9.401 2.111 6.711 1.00 0.00 N ATOM 72 CA ASN A 6 8.060 1.557 6.394 1.00 0.00 C ATOM 73 C ASN A 6 8.003 1.264 4.884 1.00 0.00 C ATOM 74 O ASN A 6 7.474 0.261 4.452 1.00 0.00 O ATOM 75 CB ASN A 6 6.982 2.582 6.825 1.00 0.00 C ATOM 76 CG ASN A 6 5.866 2.683 5.782 1.00 0.00 C ATOM 77 OD1 ASN A 6 4.741 2.309 6.035 1.00 0.00 O ATOM 78 ND2 ASN A 6 6.149 3.168 4.607 1.00 0.00 N ATOM 0 H ASN A 6 9.396 2.978 7.249 1.00 0.00 H new ATOM 0 HA ASN A 6 7.873 0.628 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.560 2.287 7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.442 3.560 6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.422 3.235 3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.097 3.481 4.399 1.00 0.00 H new ATOM 85 N TRP A 7 8.544 2.142 4.083 1.00 0.00 N ATOM 86 CA TRP A 7 8.520 1.919 2.610 1.00 0.00 C ATOM 87 C TRP A 7 9.070 0.529 2.313 1.00 0.00 C ATOM 88 O TRP A 7 8.446 -0.258 1.638 1.00 0.00 O ATOM 89 CB TRP A 7 9.388 2.985 1.911 1.00 0.00 C ATOM 90 CG TRP A 7 8.574 4.208 1.607 1.00 0.00 C ATOM 91 CD1 TRP A 7 7.938 4.973 2.525 1.00 0.00 C ATOM 92 CD2 TRP A 7 8.308 4.816 0.311 1.00 0.00 C ATOM 93 NE1 TRP A 7 7.296 6.011 1.872 1.00 0.00 N ATOM 94 CE2 TRP A 7 7.495 5.957 0.507 1.00 0.00 C ATOM 95 CE3 TRP A 7 8.689 4.490 -1.003 1.00 0.00 C ATOM 96 CZ2 TRP A 7 7.073 6.747 -0.565 1.00 0.00 C ATOM 97 CZ3 TRP A 7 8.268 5.282 -2.083 1.00 0.00 C ATOM 98 CH2 TRP A 7 7.463 6.408 -1.865 1.00 0.00 C ATOM 0 H TRP A 7 9.001 3.003 4.385 1.00 0.00 H new ATOM 0 HA TRP A 7 7.498 1.996 2.240 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.231 3.251 2.548 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.802 2.578 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 7 7.932 4.802 3.591 1.00 0.00 H new ATOM 0 HE1 TRP A 7 6.743 6.728 2.342 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.310 3.625 -1.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.451 7.612 -0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.566 5.022 -3.088 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.144 7.014 -2.700 1.00 0.00 H new ATOM 109 N GLU A 8 10.225 0.207 2.809 1.00 0.00 N ATOM 110 CA GLU A 8 10.770 -1.129 2.536 1.00 0.00 C ATOM 111 C GLU A 8 9.756 -2.181 2.991 1.00 0.00 C ATOM 112 O GLU A 8 9.693 -3.265 2.448 1.00 0.00 O ATOM 113 CB GLU A 8 12.069 -1.292 3.309 1.00 0.00 C ATOM 114 CG GLU A 8 12.757 -2.565 2.859 1.00 0.00 C ATOM 115 CD GLU A 8 14.148 -2.651 3.491 1.00 0.00 C ATOM 116 OE1 GLU A 8 14.224 -2.948 4.672 1.00 0.00 O ATOM 117 OE2 GLU A 8 15.113 -2.415 2.783 1.00 0.00 O ATOM 0 H GLU A 8 10.808 0.812 3.388 1.00 0.00 H new ATOM 0 HA GLU A 8 10.963 -1.253 1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.718 -0.433 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.867 -1.332 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.162 -3.432 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.839 -2.581 1.772 1.00 0.00 H new ATOM 124 N THR A 9 8.954 -1.870 3.979 1.00 0.00 N ATOM 125 CA THR A 9 7.946 -2.864 4.451 1.00 0.00 C ATOM 126 C THR A 9 6.858 -3.051 3.389 1.00 0.00 C ATOM 127 O THR A 9 6.720 -4.120 2.827 1.00 0.00 O ATOM 128 CB THR A 9 7.325 -2.408 5.776 1.00 0.00 C ATOM 129 OG1 THR A 9 8.356 -1.991 6.660 1.00 0.00 O ATOM 130 CG2 THR A 9 6.556 -3.572 6.401 1.00 0.00 C ATOM 0 H THR A 9 8.954 -0.978 4.474 1.00 0.00 H new ATOM 0 HA THR A 9 8.445 -3.819 4.616 1.00 0.00 H new ATOM 0 HB THR A 9 6.643 -1.577 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.961 -1.697 7.508 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.113 -3.251 7.344 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.768 -3.894 5.721 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.238 -4.402 6.585 1.00 0.00 H new ATOM 138 N LEU A 10 6.084 -2.037 3.094 1.00 0.00 N ATOM 139 CA LEU A 10 5.031 -2.221 2.055 1.00 0.00 C ATOM 140 C LEU A 10 5.718 -2.681 0.763 1.00 0.00 C ATOM 141 O LEU A 10 5.163 -3.422 -0.025 1.00 0.00 O ATOM 142 CB LEU A 10 4.239 -0.917 1.822 1.00 0.00 C ATOM 143 CG LEU A 10 5.183 0.259 1.470 1.00 0.00 C ATOM 144 CD1 LEU A 10 5.258 0.461 -0.051 1.00 0.00 C ATOM 145 CD2 LEU A 10 4.664 1.557 2.108 1.00 0.00 C ATOM 0 H LEU A 10 6.134 -1.110 3.518 1.00 0.00 H new ATOM 0 HA LEU A 10 4.312 -2.970 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.521 -1.064 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.667 -0.672 2.717 1.00 0.00 H new ATOM 0 HG LEU A 10 6.175 0.020 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.927 1.292 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.637 -0.447 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.263 0.681 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.333 2.379 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.665 1.774 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.625 1.440 3.191 1.00 0.00 H new ATOM 157 N ASN A 11 6.937 -2.263 0.547 1.00 0.00 N ATOM 158 CA ASN A 11 7.663 -2.717 -0.676 1.00 0.00 C ATOM 159 C ASN A 11 8.021 -4.202 -0.503 1.00 0.00 C ATOM 160 O ASN A 11 7.683 -5.046 -1.316 1.00 0.00 O ATOM 161 CB ASN A 11 8.938 -1.876 -0.872 1.00 0.00 C ATOM 162 CG ASN A 11 9.347 -1.874 -2.353 1.00 0.00 C ATOM 163 OD1 ASN A 11 9.971 -0.939 -2.817 1.00 0.00 O ATOM 164 ND2 ASN A 11 9.026 -2.882 -3.120 1.00 0.00 N ATOM 0 H ASN A 11 7.458 -1.633 1.157 1.00 0.00 H new ATOM 0 HA ASN A 11 7.034 -2.590 -1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.765 -0.855 -0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.747 -2.281 -0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.299 -2.882 -4.103 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.503 -3.669 -2.736 1.00 0.00 H new ATOM 171 N ASP A 12 8.706 -4.519 0.569 1.00 0.00 N ATOM 172 CA ASP A 12 9.104 -5.934 0.833 1.00 0.00 C ATOM 173 C ASP A 12 7.852 -6.814 0.904 1.00 0.00 C ATOM 174 O ASP A 12 7.923 -8.028 0.837 1.00 0.00 O ATOM 175 CB ASP A 12 9.860 -6.000 2.165 1.00 0.00 C ATOM 176 CG ASP A 12 10.099 -7.460 2.555 1.00 0.00 C ATOM 177 OD1 ASP A 12 11.028 -8.050 2.028 1.00 0.00 O ATOM 178 OD2 ASP A 12 9.349 -7.964 3.374 1.00 0.00 O ATOM 0 H ASP A 12 9.008 -3.850 1.278 1.00 0.00 H new ATOM 0 HA ASP A 12 9.747 -6.293 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.812 -5.477 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.288 -5.495 2.943 1.00 0.00 H new ATOM 183 N ASN A 13 6.705 -6.207 1.018 1.00 0.00 N ATOM 184 CA ASN A 13 5.448 -6.989 1.078 1.00 0.00 C ATOM 185 C ASN A 13 5.179 -7.527 -0.331 1.00 0.00 C ATOM 186 O ASN A 13 4.920 -8.690 -0.525 1.00 0.00 O ATOM 187 CB ASN A 13 4.297 -6.038 1.487 1.00 0.00 C ATOM 188 CG ASN A 13 3.765 -6.320 2.899 1.00 0.00 C ATOM 189 OD1 ASN A 13 3.623 -7.459 3.300 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.460 -5.298 3.675 1.00 0.00 N ATOM 0 H ASN A 13 6.587 -5.195 1.072 1.00 0.00 H new ATOM 0 HA ASN A 13 5.521 -7.805 1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.648 -5.007 1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.481 -6.134 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.103 -5.461 4.616 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.581 -4.344 3.334 1.00 0.00 H new ATOM 197 N LEU A 14 5.232 -6.663 -1.305 1.00 0.00 N ATOM 198 CA LEU A 14 4.960 -7.075 -2.712 1.00 0.00 C ATOM 199 C LEU A 14 5.895 -8.201 -3.145 1.00 0.00 C ATOM 200 O LEU A 14 5.543 -9.022 -3.976 1.00 0.00 O ATOM 201 CB LEU A 14 5.183 -5.863 -3.620 1.00 0.00 C ATOM 202 CG LEU A 14 4.019 -4.865 -3.453 1.00 0.00 C ATOM 203 CD1 LEU A 14 4.502 -3.442 -3.741 1.00 0.00 C ATOM 204 CD2 LEU A 14 2.893 -5.218 -4.426 1.00 0.00 C ATOM 0 H LEU A 14 5.455 -5.675 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 14 3.934 -7.435 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.128 -5.379 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.253 -6.184 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 14 3.652 -4.922 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.673 -2.745 -3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.300 -3.181 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.878 -3.385 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.072 -4.511 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.267 -5.168 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.536 -6.227 -4.219 1.00 0.00 H new ATOM 216 N LYS A 15 7.079 -8.257 -2.612 1.00 0.00 N ATOM 217 CA LYS A 15 8.000 -9.341 -3.041 1.00 0.00 C ATOM 218 C LYS A 15 7.484 -10.687 -2.534 1.00 0.00 C ATOM 219 O LYS A 15 7.361 -11.626 -3.292 1.00 0.00 O ATOM 220 CB LYS A 15 9.411 -9.092 -2.493 1.00 0.00 C ATOM 221 CG LYS A 15 10.365 -10.250 -2.925 1.00 0.00 C ATOM 222 CD LYS A 15 10.853 -11.049 -1.702 1.00 0.00 C ATOM 223 CE LYS A 15 11.982 -10.289 -0.999 1.00 0.00 C ATOM 224 NZ LYS A 15 12.127 -10.798 0.394 1.00 0.00 N ATOM 0 H LYS A 15 7.445 -7.613 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 15 8.042 -9.353 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.791 -8.140 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.380 -9.022 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.846 -10.915 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.221 -9.840 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.027 -11.212 -1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.205 -12.032 -2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.917 -10.418 -1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.764 -9.221 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.893 -10.284 0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.236 -10.653 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.353 -11.813 0.371 1.00 0.00 H new ATOM 238 N VAL A 16 7.187 -10.808 -1.268 1.00 0.00 N ATOM 239 CA VAL A 16 6.696 -12.133 -0.774 1.00 0.00 C ATOM 240 C VAL A 16 5.472 -12.573 -1.578 1.00 0.00 C ATOM 241 O VAL A 16 5.158 -13.737 -1.618 1.00 0.00 O ATOM 242 CB VAL A 16 6.339 -12.100 0.719 1.00 0.00 C ATOM 243 CG1 VAL A 16 7.613 -11.977 1.547 1.00 0.00 C ATOM 244 CG2 VAL A 16 5.395 -10.936 1.029 1.00 0.00 C ATOM 0 H VAL A 16 7.259 -10.070 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 16 7.509 -12.847 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 16 5.828 -13.028 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.358 -11.954 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.260 -12.831 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.134 -11.058 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.157 -10.934 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.878 -9.995 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.477 -11.048 0.452 1.00 0.00 H new ATOM 254 N ILE A 17 4.776 -11.676 -2.228 1.00 0.00 N ATOM 255 CA ILE A 17 3.592 -12.124 -3.028 1.00 0.00 C ATOM 256 C ILE A 17 4.085 -12.908 -4.251 1.00 0.00 C ATOM 257 O ILE A 17 3.989 -14.124 -4.315 1.00 0.00 O ATOM 258 CB ILE A 17 2.780 -10.913 -3.498 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.609 -9.955 -2.331 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.408 -11.378 -3.985 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.720 -8.780 -2.747 1.00 0.00 C ATOM 0 H ILE A 17 4.968 -10.674 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 17 2.957 -12.755 -2.406 1.00 0.00 H new ATOM 0 HB ILE A 17 3.299 -10.411 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.164 -10.476 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.582 -9.588 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.830 -10.517 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.533 -12.075 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.881 -11.874 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.602 -8.097 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.182 -8.251 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.742 -9.153 -3.051 1.00 0.00 H new ATOM 273 N GLU A 18 4.629 -12.218 -5.218 1.00 0.00 N ATOM 274 CA GLU A 18 5.143 -12.909 -6.438 1.00 0.00 C ATOM 275 C GLU A 18 5.982 -14.112 -6.012 1.00 0.00 C ATOM 276 O GLU A 18 6.076 -15.099 -6.716 1.00 0.00 O ATOM 277 CB GLU A 18 6.002 -11.922 -7.255 1.00 0.00 C ATOM 278 CG GLU A 18 5.537 -10.489 -6.967 1.00 0.00 C ATOM 279 CD GLU A 18 6.006 -9.551 -8.082 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.181 -9.223 -8.098 1.00 0.00 O ATOM 281 OE2 GLU A 18 5.183 -9.176 -8.900 1.00 0.00 O ATOM 0 H GLU A 18 4.740 -11.204 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 18 4.313 -13.252 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.054 -12.035 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.913 -12.139 -8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.450 -10.460 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.934 -10.155 -6.009 1.00 0.00 H new ATOM 288 N LYS A 19 6.584 -14.031 -4.855 1.00 0.00 N ATOM 289 CA LYS A 19 7.424 -15.163 -4.353 1.00 0.00 C ATOM 290 C LYS A 19 6.636 -15.952 -3.292 1.00 0.00 C ATOM 291 O LYS A 19 7.132 -16.909 -2.733 1.00 0.00 O ATOM 292 CB LYS A 19 8.734 -14.597 -3.744 1.00 0.00 C ATOM 293 CG LYS A 19 9.925 -14.890 -4.672 1.00 0.00 C ATOM 294 CD LYS A 19 9.782 -14.105 -6.008 1.00 0.00 C ATOM 295 CE LYS A 19 10.868 -13.026 -6.111 1.00 0.00 C ATOM 296 NZ LYS A 19 12.211 -13.674 -6.120 1.00 0.00 N ATOM 0 H LYS A 19 6.531 -13.226 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 19 7.676 -15.833 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.638 -13.522 -3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.909 -15.042 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.856 -14.611 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.980 -15.959 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.861 -14.791 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.796 -13.644 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.729 -12.440 -7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.791 -12.335 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.861 -13.118 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.581 -13.720 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.130 -14.636 -6.506 1.00 0.00 H new ATOM 310 N ALA A 20 5.415 -15.570 -3.017 1.00 0.00 N ATOM 311 CA ALA A 20 4.625 -16.326 -2.000 1.00 0.00 C ATOM 312 C ALA A 20 4.571 -17.777 -2.451 1.00 0.00 C ATOM 313 O ALA A 20 4.755 -18.699 -1.683 1.00 0.00 O ATOM 314 CB ALA A 20 3.193 -15.771 -1.909 1.00 0.00 C ATOM 0 H ALA A 20 4.936 -14.778 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 20 5.092 -16.233 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.631 -16.334 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.228 -14.720 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.704 -15.865 -2.879 1.00 0.00 H new ATOM 320 N ASP A 21 4.325 -17.971 -3.710 1.00 0.00 N ATOM 321 CA ASP A 21 4.261 -19.352 -4.267 1.00 0.00 C ATOM 322 C ASP A 21 3.030 -20.091 -3.702 1.00 0.00 C ATOM 323 O ASP A 21 2.619 -21.103 -4.234 1.00 0.00 O ATOM 324 CB ASP A 21 5.575 -20.107 -3.929 1.00 0.00 C ATOM 325 CG ASP A 21 6.176 -20.741 -5.194 1.00 0.00 C ATOM 326 OD1 ASP A 21 5.562 -21.650 -5.726 1.00 0.00 O ATOM 327 OD2 ASP A 21 7.240 -20.305 -5.604 1.00 0.00 O ATOM 0 H ASP A 21 4.163 -17.226 -4.388 1.00 0.00 H new ATOM 0 HA ASP A 21 4.158 -19.308 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.293 -19.417 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.376 -20.881 -3.188 1.00 0.00 H new ATOM 332 N ASN A 22 2.417 -19.589 -2.649 1.00 0.00 N ATOM 333 CA ASN A 22 1.195 -20.275 -2.100 1.00 0.00 C ATOM 334 C ASN A 22 0.243 -19.244 -1.494 1.00 0.00 C ATOM 335 O ASN A 22 0.660 -18.286 -0.881 1.00 0.00 O ATOM 336 CB ASN A 22 1.559 -21.311 -1.026 1.00 0.00 C ATOM 337 CG ASN A 22 2.931 -21.867 -1.322 1.00 0.00 C ATOM 338 OD1 ASN A 22 3.105 -23.054 -1.512 1.00 0.00 O ATOM 339 ND2 ASN A 22 3.920 -21.042 -1.370 1.00 0.00 N ATOM 0 H ASN A 22 2.705 -18.746 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 22 0.712 -20.792 -2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.545 -20.850 -0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.822 -22.114 -1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.860 -21.384 -1.569 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.763 -20.047 -1.209 1.00 0.00 H new ATOM 346 N ALA A 23 -1.031 -19.456 -1.659 1.00 0.00 N ATOM 347 CA ALA A 23 -2.051 -18.510 -1.113 1.00 0.00 C ATOM 348 C ALA A 23 -1.863 -18.290 0.387 1.00 0.00 C ATOM 349 O ALA A 23 -2.321 -17.306 0.926 1.00 0.00 O ATOM 350 CB ALA A 23 -3.444 -19.085 -1.367 1.00 0.00 C ATOM 0 H ALA A 23 -1.419 -20.257 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.933 -17.549 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.197 -18.403 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.595 -19.212 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.535 -20.051 -0.871 1.00 0.00 H new ATOM 356 N ALA A 24 -1.207 -19.181 1.071 1.00 0.00 N ATOM 357 CA ALA A 24 -1.025 -18.985 2.538 1.00 0.00 C ATOM 358 C ALA A 24 -0.153 -17.752 2.787 1.00 0.00 C ATOM 359 O ALA A 24 -0.507 -16.870 3.543 1.00 0.00 O ATOM 360 CB ALA A 24 -0.347 -20.218 3.139 1.00 0.00 C ATOM 0 H ALA A 24 -0.792 -20.029 0.686 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.999 -18.841 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.214 -20.074 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.969 -21.096 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.626 -20.363 2.669 1.00 0.00 H new ATOM 366 N GLN A 25 0.988 -17.689 2.161 1.00 0.00 N ATOM 367 CA GLN A 25 1.891 -16.526 2.357 1.00 0.00 C ATOM 368 C GLN A 25 1.290 -15.267 1.716 1.00 0.00 C ATOM 369 O GLN A 25 1.679 -14.159 2.030 1.00 0.00 O ATOM 370 CB GLN A 25 3.248 -16.840 1.719 1.00 0.00 C ATOM 371 CG GLN A 25 3.575 -18.330 1.897 1.00 0.00 C ATOM 372 CD GLN A 25 5.079 -18.552 1.721 1.00 0.00 C ATOM 373 OE1 GLN A 25 5.771 -18.891 2.659 1.00 0.00 O ATOM 374 NE2 GLN A 25 5.613 -18.371 0.545 1.00 0.00 N ATOM 0 H GLN A 25 1.335 -18.400 1.517 1.00 0.00 H new ATOM 0 HA GLN A 25 2.016 -16.341 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.229 -16.587 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.026 -16.230 2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.261 -18.666 2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.022 -18.923 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.030 -18.086 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.614 -18.514 0.412 1.00 0.00 H new ATOM 383 N VAL A 26 0.348 -15.420 0.824 1.00 0.00 N ATOM 384 CA VAL A 26 -0.260 -14.210 0.182 1.00 0.00 C ATOM 385 C VAL A 26 -1.096 -13.482 1.225 1.00 0.00 C ATOM 386 O VAL A 26 -0.962 -12.287 1.405 1.00 0.00 O ATOM 387 CB VAL A 26 -1.154 -14.597 -1.007 1.00 0.00 C ATOM 388 CG1 VAL A 26 -1.733 -13.337 -1.682 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.332 -15.361 -2.047 1.00 0.00 C ATOM 0 H VAL A 26 -0.025 -16.317 0.513 1.00 0.00 H new ATOM 0 HA VAL A 26 0.539 -13.570 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.966 -15.219 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.363 -13.631 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.328 -12.778 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.917 -12.710 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.971 -15.633 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.484 -14.731 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.077 -16.265 -1.595 1.00 0.00 H new ATOM 399 N LYS A 27 -1.950 -14.172 1.942 1.00 0.00 N ATOM 400 CA LYS A 27 -2.740 -13.456 2.974 1.00 0.00 C ATOM 401 C LYS A 27 -1.742 -12.779 3.890 1.00 0.00 C ATOM 402 O LYS A 27 -1.760 -11.586 4.110 1.00 0.00 O ATOM 403 CB LYS A 27 -3.530 -14.438 3.838 1.00 0.00 C ATOM 404 CG LYS A 27 -4.594 -15.212 3.018 1.00 0.00 C ATOM 405 CD LYS A 27 -4.396 -16.725 3.213 1.00 0.00 C ATOM 406 CE LYS A 27 -4.656 -17.112 4.676 1.00 0.00 C ATOM 407 NZ LYS A 27 -5.134 -18.521 4.736 1.00 0.00 N ATOM 0 H LYS A 27 -2.127 -15.173 1.857 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.428 -12.764 2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.843 -15.147 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.020 -13.896 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.595 -14.922 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.510 -14.957 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.073 -17.275 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.381 -17.005 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.743 -17.001 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.399 -16.445 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.311 -18.786 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.015 -18.612 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.411 -19.150 4.333 1.00 0.00 H new ATOM 421 N ASP A 28 -0.859 -13.573 4.411 1.00 0.00 N ATOM 422 CA ASP A 28 0.181 -13.061 5.326 1.00 0.00 C ATOM 423 C ASP A 28 0.877 -11.863 4.685 1.00 0.00 C ATOM 424 O ASP A 28 1.231 -10.908 5.348 1.00 0.00 O ATOM 425 CB ASP A 28 1.212 -14.167 5.559 1.00 0.00 C ATOM 426 CG ASP A 28 0.495 -15.453 5.974 1.00 0.00 C ATOM 427 OD1 ASP A 28 -0.638 -15.361 6.418 1.00 0.00 O ATOM 428 OD2 ASP A 28 1.093 -16.509 5.841 1.00 0.00 O ATOM 0 H ASP A 28 -0.815 -14.577 4.236 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.272 -12.758 6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.790 -14.337 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.917 -13.865 6.334 1.00 0.00 H new ATOM 433 N ALA A 29 1.083 -11.909 3.399 1.00 0.00 N ATOM 434 CA ALA A 29 1.762 -10.778 2.719 1.00 0.00 C ATOM 435 C ALA A 29 0.849 -9.553 2.702 1.00 0.00 C ATOM 436 O ALA A 29 1.113 -8.558 3.347 1.00 0.00 O ATOM 437 CB ALA A 29 2.092 -11.165 1.281 1.00 0.00 C ATOM 0 H ALA A 29 0.810 -12.682 2.792 1.00 0.00 H new ATOM 0 HA ALA A 29 2.678 -10.544 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.590 -10.332 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.750 -12.034 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.172 -11.406 0.749 1.00 0.00 H new ATOM 443 N LEU A 30 -0.219 -9.614 1.952 1.00 0.00 N ATOM 444 CA LEU A 30 -1.144 -8.449 1.876 1.00 0.00 C ATOM 445 C LEU A 30 -1.699 -8.139 3.269 1.00 0.00 C ATOM 446 O LEU A 30 -2.143 -7.041 3.538 1.00 0.00 O ATOM 447 CB LEU A 30 -2.299 -8.766 0.922 1.00 0.00 C ATOM 448 CG LEU A 30 -1.767 -8.998 -0.501 1.00 0.00 C ATOM 449 CD1 LEU A 30 -2.926 -9.447 -1.400 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.153 -7.700 -1.063 1.00 0.00 C ATOM 0 H LEU A 30 -0.490 -10.421 1.389 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.598 -7.582 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.832 -9.652 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.015 -7.944 0.921 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.995 -9.767 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.558 -9.614 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.351 -10.372 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.694 -8.674 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.781 -7.881 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.914 -6.920 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.330 -7.381 -0.424 1.00 0.00 H new ATOM 462 N THR A 31 -1.663 -9.089 4.163 1.00 0.00 N ATOM 463 CA THR A 31 -2.174 -8.835 5.540 1.00 0.00 C ATOM 464 C THR A 31 -1.326 -7.739 6.177 1.00 0.00 C ATOM 465 O THR A 31 -1.826 -6.820 6.794 1.00 0.00 O ATOM 466 CB THR A 31 -2.038 -10.116 6.374 1.00 0.00 C ATOM 467 OG1 THR A 31 -3.029 -11.053 5.969 1.00 0.00 O ATOM 468 CG2 THR A 31 -2.223 -9.809 7.866 1.00 0.00 C ATOM 0 H THR A 31 -1.302 -10.029 4.000 1.00 0.00 H new ATOM 0 HA THR A 31 -3.220 -8.531 5.500 1.00 0.00 H new ATOM 0 HB THR A 31 -1.042 -10.530 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.991 -11.169 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.123 -10.729 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.464 -9.096 8.187 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.213 -9.384 8.030 1.00 0.00 H new ATOM 476 N LYS A 32 -0.039 -7.850 6.039 1.00 0.00 N ATOM 477 CA LYS A 32 0.872 -6.844 6.639 1.00 0.00 C ATOM 478 C LYS A 32 0.789 -5.537 5.839 1.00 0.00 C ATOM 479 O LYS A 32 0.997 -4.467 6.374 1.00 0.00 O ATOM 480 CB LYS A 32 2.298 -7.416 6.612 1.00 0.00 C ATOM 481 CG LYS A 32 2.554 -8.285 7.856 1.00 0.00 C ATOM 482 CD LYS A 32 4.052 -8.563 7.994 1.00 0.00 C ATOM 483 CE LYS A 32 4.532 -9.424 6.824 1.00 0.00 C ATOM 484 NZ LYS A 32 5.876 -9.982 7.146 1.00 0.00 N ATOM 0 H LYS A 32 0.426 -8.603 5.531 1.00 0.00 H new ATOM 0 HA LYS A 32 0.588 -6.627 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.440 -8.011 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.022 -6.602 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.185 -7.778 8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.006 -9.224 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.604 -7.624 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.251 -9.072 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.825 -10.232 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.581 -8.827 5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.207 -10.568 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.547 -9.203 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.813 -10.565 8.005 1.00 0.00 H new ATOM 498 N MET A 33 0.458 -5.601 4.576 1.00 0.00 N ATOM 499 CA MET A 33 0.333 -4.340 3.788 1.00 0.00 C ATOM 500 C MET A 33 -0.807 -3.537 4.386 1.00 0.00 C ATOM 501 O MET A 33 -0.625 -2.489 4.973 1.00 0.00 O ATOM 502 CB MET A 33 -0.041 -4.659 2.338 1.00 0.00 C ATOM 503 CG MET A 33 1.173 -5.166 1.556 1.00 0.00 C ATOM 504 SD MET A 33 0.920 -4.836 -0.206 1.00 0.00 S ATOM 505 CE MET A 33 1.389 -3.082 -0.192 1.00 0.00 C ATOM 0 H MET A 33 0.271 -6.461 4.061 1.00 0.00 H new ATOM 0 HA MET A 33 1.278 -3.797 3.814 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.830 -5.411 2.319 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.441 -3.766 1.857 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.079 -4.671 1.905 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.309 -6.235 1.723 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.911 -2.838 -1.117 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.493 -2.467 -0.107 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.045 -2.887 0.657 1.00 0.00 H new ATOM 515 N ARG A 34 -1.992 -4.050 4.231 1.00 0.00 N ATOM 516 CA ARG A 34 -3.195 -3.362 4.776 1.00 0.00 C ATOM 517 C ARG A 34 -2.893 -2.952 6.213 1.00 0.00 C ATOM 518 O ARG A 34 -3.433 -1.996 6.731 1.00 0.00 O ATOM 519 CB ARG A 34 -4.393 -4.330 4.733 1.00 0.00 C ATOM 520 CG ARG A 34 -5.733 -3.578 4.971 1.00 0.00 C ATOM 521 CD ARG A 34 -6.857 -4.187 4.110 1.00 0.00 C ATOM 522 NE ARG A 34 -8.066 -3.324 4.177 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.847 -3.373 5.223 1.00 0.00 C ATOM 524 NH1 ARG A 34 -8.562 -4.176 6.212 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.913 -2.619 5.283 1.00 0.00 N ATOM 0 H ARG A 34 -2.182 -4.926 3.745 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.441 -2.479 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.422 -4.834 3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.267 -5.103 5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.005 -3.633 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.612 -2.522 4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.524 -4.283 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.095 -5.190 4.463 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.286 -2.693 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.730 -4.764 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.171 -4.215 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.137 -1.990 4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.521 -2.659 6.101 1.00 0.00 H new ATOM 539 N ALA A 35 -2.005 -3.668 6.849 1.00 0.00 N ATOM 540 CA ALA A 35 -1.632 -3.321 8.247 1.00 0.00 C ATOM 541 C ALA A 35 -0.717 -2.092 8.238 1.00 0.00 C ATOM 542 O ALA A 35 -1.012 -1.084 8.851 1.00 0.00 O ATOM 543 CB ALA A 35 -0.903 -4.500 8.899 1.00 0.00 C ATOM 0 H ALA A 35 -1.523 -4.478 6.459 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.534 -3.101 8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.633 -4.240 9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.557 -5.372 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.000 -4.728 8.332 1.00 0.00 H new ATOM 549 N ALA A 36 0.399 -2.167 7.555 1.00 0.00 N ATOM 550 CA ALA A 36 1.327 -0.999 7.523 1.00 0.00 C ATOM 551 C ALA A 36 0.645 0.195 6.855 1.00 0.00 C ATOM 552 O ALA A 36 0.795 1.321 7.285 1.00 0.00 O ATOM 553 CB ALA A 36 2.593 -1.369 6.747 1.00 0.00 C ATOM 0 H ALA A 36 0.704 -2.982 7.022 1.00 0.00 H new ATOM 0 HA ALA A 36 1.594 -0.729 8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.269 -0.514 6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.086 -2.210 7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.327 -1.647 5.727 1.00 0.00 H new ATOM 559 N ALA A 37 -0.100 -0.031 5.811 1.00 0.00 N ATOM 560 CA ALA A 37 -0.776 1.110 5.137 1.00 0.00 C ATOM 561 C ALA A 37 -1.629 1.856 6.163 1.00 0.00 C ATOM 562 O ALA A 37 -1.695 3.071 6.167 1.00 0.00 O ATOM 563 CB ALA A 37 -1.667 0.587 4.009 1.00 0.00 C ATOM 0 H ALA A 37 -0.269 -0.948 5.398 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.030 1.785 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.161 1.425 3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.057 0.049 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.419 -0.086 4.421 1.00 0.00 H new ATOM 569 N LEU A 38 -2.272 1.140 7.046 1.00 0.00 N ATOM 570 CA LEU A 38 -3.109 1.813 8.078 1.00 0.00 C ATOM 571 C LEU A 38 -2.200 2.620 9.005 1.00 0.00 C ATOM 572 O LEU A 38 -2.572 3.670 9.492 1.00 0.00 O ATOM 573 CB LEU A 38 -3.870 0.762 8.898 1.00 0.00 C ATOM 574 CG LEU A 38 -5.032 0.169 8.069 1.00 0.00 C ATOM 575 CD1 LEU A 38 -5.441 -1.196 8.639 1.00 0.00 C ATOM 576 CD2 LEU A 38 -6.254 1.101 8.114 1.00 0.00 C ATOM 0 H LEU A 38 -2.253 0.121 7.097 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.827 2.474 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.190 -0.033 9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.260 1.215 9.810 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.692 0.059 7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.260 -1.606 8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.590 -1.876 8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.764 -1.077 9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.063 0.669 7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.581 1.222 9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.985 2.074 7.702 1.00 0.00 H new ATOM 588 N ASP A 39 -1.006 2.144 9.255 1.00 0.00 N ATOM 589 CA ASP A 39 -0.077 2.894 10.149 1.00 0.00 C ATOM 590 C ASP A 39 0.699 3.927 9.330 1.00 0.00 C ATOM 591 O ASP A 39 0.900 5.047 9.752 1.00 0.00 O ATOM 592 CB ASP A 39 0.904 1.915 10.794 1.00 0.00 C ATOM 593 CG ASP A 39 1.712 2.638 11.873 1.00 0.00 C ATOM 594 OD1 ASP A 39 1.324 3.735 12.238 1.00 0.00 O ATOM 595 OD2 ASP A 39 2.702 2.082 12.315 1.00 0.00 O ATOM 0 H ASP A 39 -0.637 1.271 8.879 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.649 3.403 10.924 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.362 1.076 11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.573 1.503 10.038 1.00 0.00 H new ATOM 600 N ALA A 40 1.142 3.553 8.161 1.00 0.00 N ATOM 601 CA ALA A 40 1.914 4.511 7.313 1.00 0.00 C ATOM 602 C ALA A 40 1.061 5.752 7.025 1.00 0.00 C ATOM 603 O ALA A 40 1.556 6.765 6.579 1.00 0.00 O ATOM 604 CB ALA A 40 2.310 3.829 5.993 1.00 0.00 C ATOM 0 H ALA A 40 1.004 2.627 7.755 1.00 0.00 H new ATOM 0 HA ALA A 40 2.817 4.816 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.873 4.529 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.927 2.956 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.411 3.518 5.460 1.00 0.00 H new ATOM 610 N GLN A 41 -0.216 5.682 7.270 1.00 0.00 N ATOM 611 CA GLN A 41 -1.088 6.857 7.003 1.00 0.00 C ATOM 612 C GLN A 41 -0.459 8.114 7.608 1.00 0.00 C ATOM 613 O GLN A 41 -0.302 9.122 6.947 1.00 0.00 O ATOM 614 CB GLN A 41 -2.461 6.614 7.639 1.00 0.00 C ATOM 615 CG GLN A 41 -3.331 7.874 7.507 1.00 0.00 C ATOM 616 CD GLN A 41 -3.054 8.832 8.668 1.00 0.00 C ATOM 617 OE1 GLN A 41 -3.432 8.570 9.792 1.00 0.00 O ATOM 618 NE2 GLN A 41 -2.404 9.939 8.441 1.00 0.00 N ATOM 0 H GLN A 41 -0.694 4.862 7.644 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.198 6.995 5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.952 5.771 7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.343 6.352 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.123 8.370 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.385 7.597 7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.086 10.159 7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.213 10.585 9.207 1.00 0.00 H new ATOM 627 N LYS A 42 -0.102 8.062 8.859 1.00 0.00 N ATOM 628 CA LYS A 42 0.513 9.255 9.509 1.00 0.00 C ATOM 629 C LYS A 42 1.927 9.471 8.960 1.00 0.00 C ATOM 630 O LYS A 42 2.705 10.220 9.515 1.00 0.00 O ATOM 631 CB LYS A 42 0.594 9.053 11.029 1.00 0.00 C ATOM 632 CG LYS A 42 -0.814 9.065 11.673 1.00 0.00 C ATOM 633 CD LYS A 42 -1.378 7.636 11.779 1.00 0.00 C ATOM 634 CE LYS A 42 -0.862 6.960 13.055 1.00 0.00 C ATOM 635 NZ LYS A 42 -1.132 5.496 12.987 1.00 0.00 N ATOM 0 H LYS A 42 -0.209 7.246 9.461 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.107 10.125 9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.088 8.106 11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.205 9.840 11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.762 9.515 12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.486 9.683 11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.468 7.666 11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.083 7.055 10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.208 7.138 13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.350 7.390 13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.455 5.159 13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.869 5.312 12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.261 4.994 12.720 1.00 0.00 H new ATOM 649 N ALA A 43 2.271 8.831 7.874 1.00 0.00 N ATOM 650 CA ALA A 43 3.637 9.023 7.309 1.00 0.00 C ATOM 651 C ALA A 43 3.675 10.353 6.560 1.00 0.00 C ATOM 652 O ALA A 43 2.673 10.816 6.053 1.00 0.00 O ATOM 653 CB ALA A 43 3.971 7.881 6.345 1.00 0.00 C ATOM 0 H ALA A 43 1.670 8.189 7.358 1.00 0.00 H new ATOM 0 HA ALA A 43 4.370 9.027 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.971 8.030 5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.935 6.932 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.246 7.868 5.532 1.00 0.00 H new ATOM 659 N THR A 44 4.818 10.979 6.491 1.00 0.00 N ATOM 660 CA THR A 44 4.907 12.288 5.783 1.00 0.00 C ATOM 661 C THR A 44 6.327 12.481 5.237 1.00 0.00 C ATOM 662 O THR A 44 7.068 13.331 5.691 1.00 0.00 O ATOM 663 CB THR A 44 4.559 13.420 6.775 1.00 0.00 C ATOM 664 OG1 THR A 44 4.909 13.008 8.089 1.00 0.00 O ATOM 665 CG2 THR A 44 3.059 13.739 6.729 1.00 0.00 C ATOM 0 H THR A 44 5.693 10.642 6.893 1.00 0.00 H new ATOM 0 HA THR A 44 4.205 12.309 4.949 1.00 0.00 H new ATOM 0 HB THR A 44 5.115 14.315 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.693 13.722 8.724 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.835 14.539 7.435 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.785 14.056 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.489 12.849 6.997 1.00 0.00 H new ATOM 673 N PRO A 45 6.693 11.706 4.253 1.00 0.00 N ATOM 674 CA PRO A 45 8.036 11.801 3.613 1.00 0.00 C ATOM 675 C PRO A 45 8.439 13.242 3.212 1.00 0.00 C ATOM 676 O PRO A 45 9.586 13.613 3.357 1.00 0.00 O ATOM 677 CB PRO A 45 7.937 10.891 2.374 1.00 0.00 C ATOM 678 CG PRO A 45 6.803 9.943 2.654 1.00 0.00 C ATOM 679 CD PRO A 45 5.869 10.632 3.661 1.00 0.00 C ATOM 0 HA PRO A 45 8.814 11.497 4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.746 11.475 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.869 10.349 2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.268 9.703 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.179 9.003 3.059 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.984 11.036 3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.521 9.934 4.422 1.00 0.00 H new ATOM 687 N PRO A 46 7.533 14.051 2.691 1.00 0.00 N ATOM 688 CA PRO A 46 7.853 15.434 2.263 1.00 0.00 C ATOM 689 C PRO A 46 7.522 16.475 3.337 1.00 0.00 C ATOM 690 O PRO A 46 7.937 17.610 3.250 1.00 0.00 O ATOM 691 CB PRO A 46 6.949 15.605 1.043 1.00 0.00 C ATOM 692 CG PRO A 46 5.714 14.801 1.360 1.00 0.00 C ATOM 693 CD PRO A 46 6.108 13.772 2.444 1.00 0.00 C ATOM 0 HA PRO A 46 8.915 15.581 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.705 16.654 0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.435 15.242 0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.913 15.449 1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.343 14.297 0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.513 13.896 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.954 12.749 2.100 1.00 0.00 H new ATOM 701 N LYS A 47 6.757 16.089 4.328 1.00 0.00 N ATOM 702 CA LYS A 47 6.357 17.030 5.424 1.00 0.00 C ATOM 703 C LYS A 47 5.347 18.038 4.881 1.00 0.00 C ATOM 704 O LYS A 47 5.703 18.988 4.211 1.00 0.00 O ATOM 705 CB LYS A 47 7.570 17.776 6.004 1.00 0.00 C ATOM 706 CG LYS A 47 8.683 16.783 6.356 1.00 0.00 C ATOM 707 CD LYS A 47 9.972 17.552 6.661 1.00 0.00 C ATOM 708 CE LYS A 47 11.057 16.577 7.127 1.00 0.00 C ATOM 709 NZ LYS A 47 10.793 16.179 8.538 1.00 0.00 N ATOM 0 H LYS A 47 6.385 15.144 4.427 1.00 0.00 H new ATOM 0 HA LYS A 47 5.911 16.444 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.938 18.505 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.273 18.331 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.391 16.183 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.845 16.093 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.307 18.086 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.787 18.300 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.069 15.696 6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.039 17.043 7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.695 15.986 9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.296 16.950 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.203 15.323 8.553 1.00 0.00 H new ATOM 723 N LEU A 48 4.083 17.845 5.164 1.00 0.00 N ATOM 724 CA LEU A 48 3.056 18.801 4.663 1.00 0.00 C ATOM 725 C LEU A 48 2.967 19.981 5.632 1.00 0.00 C ATOM 726 O LEU A 48 1.982 20.691 5.676 1.00 0.00 O ATOM 727 CB LEU A 48 1.685 18.084 4.544 1.00 0.00 C ATOM 728 CG LEU A 48 1.463 17.545 3.104 1.00 0.00 C ATOM 729 CD1 LEU A 48 2.018 16.122 2.984 1.00 0.00 C ATOM 730 CD2 LEU A 48 -0.037 17.535 2.780 1.00 0.00 C ATOM 0 H LEU A 48 3.721 17.069 5.718 1.00 0.00 H new ATOM 0 HA LEU A 48 3.335 19.168 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.638 17.260 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.884 18.776 4.805 1.00 0.00 H new ATOM 0 HG LEU A 48 1.984 18.194 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.858 15.753 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.086 16.128 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.506 15.471 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.188 17.156 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.558 16.893 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.431 18.549 2.850 1.00 0.00 H new ATOM 742 N GLU A 49 4.015 20.209 6.381 1.00 0.00 N ATOM 743 CA GLU A 49 4.044 21.362 7.330 1.00 0.00 C ATOM 744 C GLU A 49 4.983 22.411 6.745 1.00 0.00 C ATOM 745 O GLU A 49 5.580 23.201 7.449 1.00 0.00 O ATOM 746 CB GLU A 49 4.569 20.902 8.693 1.00 0.00 C ATOM 747 CG GLU A 49 3.639 19.829 9.269 1.00 0.00 C ATOM 748 CD GLU A 49 3.894 19.677 10.771 1.00 0.00 C ATOM 749 OE1 GLU A 49 3.963 20.691 11.446 1.00 0.00 O ATOM 750 OE2 GLU A 49 4.017 18.550 11.221 1.00 0.00 O ATOM 0 H GLU A 49 4.861 19.639 6.375 1.00 0.00 H new ATOM 0 HA GLU A 49 3.043 21.771 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.579 20.504 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.629 21.750 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.599 20.103 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.808 18.878 8.764 1.00 0.00 H new ATOM 757 N ASP A 50 5.120 22.404 5.445 1.00 0.00 N ATOM 758 CA ASP A 50 6.026 23.374 4.765 1.00 0.00 C ATOM 759 C ASP A 50 5.405 23.780 3.429 1.00 0.00 C ATOM 760 O ASP A 50 5.128 24.939 3.187 1.00 0.00 O ATOM 761 CB ASP A 50 7.384 22.695 4.529 1.00 0.00 C ATOM 762 CG ASP A 50 8.486 23.752 4.400 1.00 0.00 C ATOM 763 OD1 ASP A 50 8.504 24.665 5.209 1.00 0.00 O ATOM 764 OD2 ASP A 50 9.293 23.629 3.493 1.00 0.00 O ATOM 0 H ASP A 50 4.637 21.760 4.819 1.00 0.00 H new ATOM 0 HA ASP A 50 6.166 24.263 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.611 22.021 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.344 22.088 3.624 1.00 0.00 H new ATOM 769 N LYS A 51 5.175 22.836 2.566 1.00 0.00 N ATOM 770 CA LYS A 51 4.564 23.167 1.254 1.00 0.00 C ATOM 771 C LYS A 51 3.134 23.669 1.485 1.00 0.00 C ATOM 772 O LYS A 51 2.769 24.033 2.585 1.00 0.00 O ATOM 773 CB LYS A 51 4.575 21.915 0.368 1.00 0.00 C ATOM 774 CG LYS A 51 3.601 20.856 0.911 1.00 0.00 C ATOM 775 CD LYS A 51 3.569 19.635 -0.031 1.00 0.00 C ATOM 776 CE LYS A 51 4.701 18.660 0.315 1.00 0.00 C ATOM 777 NZ LYS A 51 4.890 17.703 -0.812 1.00 0.00 N ATOM 0 H LYS A 51 5.384 21.848 2.712 1.00 0.00 H new ATOM 0 HA LYS A 51 5.130 23.951 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.298 22.183 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.583 21.502 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.908 20.547 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.602 21.282 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.607 19.129 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.668 19.964 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.625 19.208 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.463 18.119 1.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.986 16.738 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.067 17.747 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.749 17.955 -1.341 1.00 0.00 H new ATOM 791 N SER A 52 2.313 23.692 0.467 1.00 0.00 N ATOM 792 CA SER A 52 0.920 24.169 0.662 1.00 0.00 C ATOM 793 C SER A 52 0.113 23.078 1.389 1.00 0.00 C ATOM 794 O SER A 52 0.336 21.902 1.177 1.00 0.00 O ATOM 795 CB SER A 52 0.291 24.463 -0.704 1.00 0.00 C ATOM 796 OG SER A 52 -0.833 25.316 -0.536 1.00 0.00 O ATOM 0 H SER A 52 2.548 23.403 -0.482 1.00 0.00 H new ATOM 0 HA SER A 52 0.917 25.080 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.023 24.934 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.014 23.533 -1.183 1.00 0.00 H new ATOM 0 HG SER A 52 -1.234 25.505 -1.410 1.00 0.00 H new ATOM 802 N PRO A 53 -0.814 23.452 2.245 1.00 0.00 N ATOM 803 CA PRO A 53 -1.653 22.473 3.010 1.00 0.00 C ATOM 804 C PRO A 53 -2.815 21.930 2.178 1.00 0.00 C ATOM 805 O PRO A 53 -3.451 20.964 2.544 1.00 0.00 O ATOM 806 CB PRO A 53 -2.195 23.331 4.147 1.00 0.00 C ATOM 807 CG PRO A 53 -2.404 24.651 3.497 1.00 0.00 C ATOM 808 CD PRO A 53 -1.187 24.840 2.593 1.00 0.00 C ATOM 0 HA PRO A 53 -1.087 21.596 3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.124 22.928 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.490 23.396 4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.330 24.666 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.475 25.449 4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.429 25.427 1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.378 25.359 3.108 1.00 0.00 H new ATOM 816 N ASP A 54 -3.105 22.568 1.079 1.00 0.00 N ATOM 817 CA ASP A 54 -4.239 22.130 0.216 1.00 0.00 C ATOM 818 C ASP A 54 -5.558 22.570 0.868 1.00 0.00 C ATOM 819 O ASP A 54 -5.631 23.635 1.447 1.00 0.00 O ATOM 820 CB ASP A 54 -4.196 20.600 0.027 1.00 0.00 C ATOM 821 CG ASP A 54 -4.866 20.219 -1.298 1.00 0.00 C ATOM 822 OD1 ASP A 54 -5.710 20.974 -1.753 1.00 0.00 O ATOM 823 OD2 ASP A 54 -4.519 19.181 -1.837 1.00 0.00 O ATOM 0 H ASP A 54 -2.599 23.385 0.737 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.160 22.590 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.163 20.253 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.704 20.108 0.856 1.00 0.00 H new ATOM 828 N SER A 55 -6.611 21.792 0.774 1.00 0.00 N ATOM 829 CA SER A 55 -7.894 22.244 1.395 1.00 0.00 C ATOM 830 C SER A 55 -8.920 21.107 1.605 1.00 0.00 C ATOM 831 O SER A 55 -9.748 21.224 2.482 1.00 0.00 O ATOM 832 CB SER A 55 -8.521 23.320 0.511 1.00 0.00 C ATOM 833 OG SER A 55 -9.777 23.701 1.056 1.00 0.00 O ATOM 0 H SER A 55 -6.638 20.886 0.306 1.00 0.00 H new ATOM 0 HA SER A 55 -7.645 22.628 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.861 24.185 0.448 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.651 22.943 -0.504 1.00 0.00 H new ATOM 0 HG SER A 55 -10.182 24.393 0.492 1.00 0.00 H new ATOM 839 N PRO A 56 -8.906 20.034 0.834 1.00 0.00 N ATOM 840 CA PRO A 56 -9.888 18.911 1.015 1.00 0.00 C ATOM 841 C PRO A 56 -9.868 18.320 2.427 1.00 0.00 C ATOM 842 O PRO A 56 -9.927 17.119 2.592 1.00 0.00 O ATOM 843 CB PRO A 56 -9.424 17.858 -0.005 1.00 0.00 C ATOM 844 CG PRO A 56 -8.731 18.654 -1.054 1.00 0.00 C ATOM 845 CD PRO A 56 -7.997 19.755 -0.293 1.00 0.00 C ATOM 0 HA PRO A 56 -10.912 19.253 0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.754 17.129 0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.267 17.303 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.036 18.037 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.442 19.073 -1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.016 19.425 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.838 20.638 -0.912 1.00 0.00 H new ATOM 853 N GLU A 57 -9.764 19.136 3.445 1.00 0.00 N ATOM 854 CA GLU A 57 -9.712 18.584 4.827 1.00 0.00 C ATOM 855 C GLU A 57 -8.652 17.490 4.822 1.00 0.00 C ATOM 856 O GLU A 57 -8.705 16.546 5.581 1.00 0.00 O ATOM 857 CB GLU A 57 -11.081 17.998 5.201 1.00 0.00 C ATOM 858 CG GLU A 57 -11.188 17.863 6.723 1.00 0.00 C ATOM 859 CD GLU A 57 -11.437 19.239 7.345 1.00 0.00 C ATOM 860 OE1 GLU A 57 -12.481 19.809 7.076 1.00 0.00 O ATOM 861 OE2 GLU A 57 -10.578 19.699 8.081 1.00 0.00 O ATOM 0 H GLU A 57 -9.713 20.153 3.378 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.468 19.357 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.877 18.642 4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.211 17.024 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.000 17.184 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.271 17.432 7.125 1.00 0.00 H new ATOM 868 N MET A 58 -7.718 17.614 3.906 1.00 0.00 N ATOM 869 CA MET A 58 -6.650 16.606 3.744 1.00 0.00 C ATOM 870 C MET A 58 -7.283 15.286 3.324 1.00 0.00 C ATOM 871 O MET A 58 -6.603 14.328 3.013 1.00 0.00 O ATOM 872 CB MET A 58 -5.876 16.449 5.051 1.00 0.00 C ATOM 873 CG MET A 58 -5.318 17.819 5.509 1.00 0.00 C ATOM 874 SD MET A 58 -5.595 18.039 7.288 1.00 0.00 S ATOM 875 CE MET A 58 -4.046 17.292 7.856 1.00 0.00 C ATOM 0 H MET A 58 -7.661 18.396 3.254 1.00 0.00 H new ATOM 0 HA MET A 58 -5.946 16.926 2.976 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.528 16.038 5.821 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.058 15.742 4.915 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.252 17.879 5.289 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.804 18.622 4.955 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.005 17.322 8.945 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.996 16.257 7.519 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.202 17.848 7.446 1.00 0.00 H new ATOM 885 N LYS A 59 -8.589 15.242 3.286 1.00 0.00 N ATOM 886 CA LYS A 59 -9.302 14.002 2.874 1.00 0.00 C ATOM 887 C LYS A 59 -8.653 13.458 1.615 1.00 0.00 C ATOM 888 O LYS A 59 -8.303 12.300 1.528 1.00 0.00 O ATOM 889 CB LYS A 59 -10.758 14.365 2.558 1.00 0.00 C ATOM 890 CG LYS A 59 -11.617 13.088 2.340 1.00 0.00 C ATOM 891 CD LYS A 59 -11.829 12.829 0.841 1.00 0.00 C ATOM 892 CE LYS A 59 -12.343 11.402 0.633 1.00 0.00 C ATOM 893 NZ LYS A 59 -13.663 11.243 1.310 1.00 0.00 N ATOM 0 H LYS A 59 -9.198 16.024 3.527 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.257 13.257 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.175 14.953 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.795 14.989 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.125 12.230 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.581 13.203 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.543 13.546 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.893 12.971 0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.441 11.191 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.628 10.685 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.082 10.329 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.531 11.276 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.298 12.013 1.018 1.00 0.00 H new ATOM 907 N ASP A 60 -8.483 14.301 0.644 1.00 0.00 N ATOM 908 CA ASP A 60 -7.854 13.863 -0.616 1.00 0.00 C ATOM 909 C ASP A 60 -6.506 13.211 -0.290 1.00 0.00 C ATOM 910 O ASP A 60 -6.023 12.365 -1.017 1.00 0.00 O ATOM 911 CB ASP A 60 -7.678 15.090 -1.513 1.00 0.00 C ATOM 912 CG ASP A 60 -6.734 14.768 -2.674 1.00 0.00 C ATOM 913 OD1 ASP A 60 -6.922 13.735 -3.295 1.00 0.00 O ATOM 914 OD2 ASP A 60 -5.839 15.560 -2.921 1.00 0.00 O ATOM 0 H ASP A 60 -8.757 15.283 0.673 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.471 13.132 -1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.646 15.408 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.279 15.921 -0.931 1.00 0.00 H new ATOM 919 N PHE A 61 -5.915 13.566 0.821 1.00 0.00 N ATOM 920 CA PHE A 61 -4.632 12.934 1.217 1.00 0.00 C ATOM 921 C PHE A 61 -4.966 11.545 1.776 1.00 0.00 C ATOM 922 O PHE A 61 -4.463 10.532 1.330 1.00 0.00 O ATOM 923 CB PHE A 61 -3.954 13.817 2.287 1.00 0.00 C ATOM 924 CG PHE A 61 -2.444 13.683 2.217 1.00 0.00 C ATOM 925 CD1 PHE A 61 -1.759 14.037 1.046 1.00 0.00 C ATOM 926 CD2 PHE A 61 -1.732 13.205 3.324 1.00 0.00 C ATOM 927 CE1 PHE A 61 -0.365 13.911 0.985 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.339 13.078 3.261 1.00 0.00 C ATOM 929 CZ PHE A 61 0.343 13.431 2.093 1.00 0.00 C ATOM 0 H PHE A 61 -6.270 14.269 1.470 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.947 12.836 0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.239 14.859 2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.304 13.529 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.306 14.407 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.258 12.934 4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.163 14.184 0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.209 12.707 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.418 13.333 2.045 1.00 0.00 H new ATOM 939 N ARG A 62 -5.844 11.510 2.742 1.00 0.00 N ATOM 940 CA ARG A 62 -6.270 10.219 3.350 1.00 0.00 C ATOM 941 C ARG A 62 -6.952 9.354 2.286 1.00 0.00 C ATOM 942 O ARG A 62 -6.887 8.141 2.321 1.00 0.00 O ATOM 943 CB ARG A 62 -7.260 10.516 4.484 1.00 0.00 C ATOM 944 CG ARG A 62 -6.567 11.349 5.602 1.00 0.00 C ATOM 945 CD ARG A 62 -7.308 12.674 5.810 1.00 0.00 C ATOM 946 NE ARG A 62 -6.821 13.328 7.059 1.00 0.00 N ATOM 947 CZ ARG A 62 -7.305 12.967 8.218 1.00 0.00 C ATOM 948 NH1 ARG A 62 -8.224 12.042 8.284 1.00 0.00 N ATOM 949 NH2 ARG A 62 -6.873 13.533 9.313 1.00 0.00 N ATOM 0 H ARG A 62 -6.290 12.336 3.141 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.404 9.685 3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.118 11.063 4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.639 9.582 4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.553 10.782 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.529 11.543 5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.145 13.331 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.381 12.496 5.875 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.110 14.057 7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.565 11.600 7.430 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.601 11.761 9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.157 14.258 9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.252 13.250 10.217 1.00 0.00 H new ATOM 963 N HIS A 63 -7.604 9.970 1.334 1.00 0.00 N ATOM 964 CA HIS A 63 -8.285 9.184 0.265 1.00 0.00 C ATOM 965 C HIS A 63 -7.237 8.348 -0.453 1.00 0.00 C ATOM 966 O HIS A 63 -7.453 7.201 -0.757 1.00 0.00 O ATOM 967 CB HIS A 63 -8.974 10.155 -0.725 1.00 0.00 C ATOM 968 CG HIS A 63 -10.238 9.538 -1.263 1.00 0.00 C ATOM 969 ND1 HIS A 63 -11.038 8.719 -0.486 1.00 0.00 N ATOM 970 CD2 HIS A 63 -10.853 9.608 -2.488 1.00 0.00 C ATOM 971 CE1 HIS A 63 -12.074 8.328 -1.238 1.00 0.00 C ATOM 972 NE2 HIS A 63 -12.015 8.841 -2.471 1.00 0.00 N ATOM 0 H HIS A 63 -7.694 10.983 1.252 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.044 8.529 0.693 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.204 11.095 -0.223 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.297 10.390 -1.546 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -10.491 10.172 -3.335 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.862 7.677 -0.891 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -12.677 8.701 -3.234 1.00 0.00 H new ATOM 980 N GLY A 64 -6.090 8.896 -0.707 1.00 0.00 N ATOM 981 CA GLY A 64 -5.056 8.090 -1.395 1.00 0.00 C ATOM 982 C GLY A 64 -4.651 6.934 -0.485 1.00 0.00 C ATOM 983 O GLY A 64 -4.322 5.857 -0.943 1.00 0.00 O ATOM 0 H GLY A 64 -5.825 9.853 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.441 7.709 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.189 8.708 -1.629 1.00 0.00 H new ATOM 987 N PHE A 65 -4.700 7.131 0.806 1.00 0.00 N ATOM 988 CA PHE A 65 -4.348 6.021 1.738 1.00 0.00 C ATOM 989 C PHE A 65 -5.570 5.107 1.871 1.00 0.00 C ATOM 990 O PHE A 65 -5.455 3.898 1.865 1.00 0.00 O ATOM 991 CB PHE A 65 -3.965 6.597 3.112 1.00 0.00 C ATOM 992 CG PHE A 65 -2.486 6.914 3.140 1.00 0.00 C ATOM 993 CD1 PHE A 65 -1.556 5.886 3.337 1.00 0.00 C ATOM 994 CD2 PHE A 65 -2.048 8.230 2.964 1.00 0.00 C ATOM 995 CE1 PHE A 65 -0.187 6.176 3.359 1.00 0.00 C ATOM 996 CE2 PHE A 65 -0.680 8.519 2.985 1.00 0.00 C ATOM 997 CZ PHE A 65 0.250 7.493 3.183 1.00 0.00 C ATOM 0 H PHE A 65 -4.967 8.008 1.253 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.499 5.456 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.543 7.499 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.208 5.881 3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.895 4.870 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.766 9.023 2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.531 5.384 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.341 9.535 2.848 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.306 7.718 3.200 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.742 5.677 1.970 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.965 4.836 2.079 1.00 0.00 C ATOM 1009 C ASP A 66 -8.219 4.173 0.727 1.00 0.00 C ATOM 1010 O ASP A 66 -8.475 2.988 0.643 1.00 0.00 O ATOM 1011 CB ASP A 66 -9.166 5.710 2.454 1.00 0.00 C ATOM 1012 CG ASP A 66 -10.405 4.829 2.623 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -10.575 4.280 3.699 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -11.161 4.717 1.673 1.00 0.00 O ATOM 0 H ASP A 66 -6.903 6.684 1.980 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.826 4.078 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.962 6.250 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.341 6.458 1.680 1.00 0.00 H new ATOM 1019 N ILE A 67 -8.137 4.929 -0.337 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.358 4.339 -1.686 1.00 0.00 C ATOM 1021 C ILE A 67 -7.384 3.166 -1.871 1.00 0.00 C ATOM 1022 O ILE A 67 -7.745 2.103 -2.341 1.00 0.00 O ATOM 1023 CB ILE A 67 -8.091 5.401 -2.769 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -9.176 6.505 -2.714 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -8.080 4.737 -4.154 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -10.433 6.097 -3.500 1.00 0.00 C ATOM 0 H ILE A 67 -7.927 5.927 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.388 3.992 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.119 5.860 -2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.443 6.703 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.775 7.432 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.891 5.491 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.296 3.981 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.046 4.267 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.174 6.894 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.169 5.924 -4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.848 5.184 -3.074 1.00 0.00 H new ATOM 1038 N LEU A 68 -6.149 3.365 -1.499 1.00 0.00 N ATOM 1039 CA LEU A 68 -5.121 2.292 -1.636 1.00 0.00 C ATOM 1040 C LEU A 68 -5.564 1.047 -0.857 1.00 0.00 C ATOM 1041 O LEU A 68 -5.600 -0.049 -1.379 1.00 0.00 O ATOM 1042 CB LEU A 68 -3.788 2.839 -1.082 1.00 0.00 C ATOM 1043 CG LEU A 68 -2.814 1.711 -0.686 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.620 0.718 -1.851 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -1.465 2.339 -0.305 1.00 0.00 C ATOM 0 H LEU A 68 -5.803 4.238 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.997 2.007 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.319 3.475 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.988 3.466 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.226 1.161 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.929 -0.068 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.580 0.275 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.214 1.245 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.765 1.553 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.067 2.890 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.605 3.020 0.535 1.00 0.00 H new ATOM 1057 N VAL A 69 -5.887 1.211 0.392 1.00 0.00 N ATOM 1058 CA VAL A 69 -6.304 0.059 1.223 1.00 0.00 C ATOM 1059 C VAL A 69 -7.566 -0.593 0.650 1.00 0.00 C ATOM 1060 O VAL A 69 -7.916 -1.692 1.019 1.00 0.00 O ATOM 1061 CB VAL A 69 -6.592 0.563 2.642 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -7.307 -0.525 3.451 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -5.272 0.939 3.328 1.00 0.00 C ATOM 0 H VAL A 69 -5.879 2.108 0.877 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.507 -0.685 1.234 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.236 1.441 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.507 -0.158 4.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.248 -0.781 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.675 -1.411 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.476 1.298 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.625 0.063 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.776 1.724 2.757 1.00 0.00 H new ATOM 1073 N GLY A 70 -8.263 0.072 -0.225 1.00 0.00 N ATOM 1074 CA GLY A 70 -9.509 -0.532 -0.774 1.00 0.00 C ATOM 1075 C GLY A 70 -9.171 -1.572 -1.840 1.00 0.00 C ATOM 1076 O GLY A 70 -9.737 -2.647 -1.864 1.00 0.00 O ATOM 0 H GLY A 70 -8.029 0.998 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.080 -0.998 0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.140 0.247 -1.203 1.00 0.00 H new ATOM 1080 N GLN A 71 -8.254 -1.283 -2.721 1.00 0.00 N ATOM 1081 CA GLN A 71 -7.911 -2.294 -3.754 1.00 0.00 C ATOM 1082 C GLN A 71 -7.167 -3.427 -3.055 1.00 0.00 C ATOM 1083 O GLN A 71 -7.279 -4.581 -3.417 1.00 0.00 O ATOM 1084 CB GLN A 71 -7.091 -1.633 -4.890 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.575 -1.719 -4.638 1.00 0.00 C ATOM 1086 CD GLN A 71 -5.033 -3.044 -5.174 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -3.878 -3.136 -5.520 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -5.829 -4.073 -5.272 1.00 0.00 N ATOM 0 H GLN A 71 -7.736 -0.406 -2.770 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.801 -2.706 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.328 -2.118 -5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.383 -0.587 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.069 -0.885 -5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.370 -1.637 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.803 -3.994 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.477 -4.957 -5.641 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.453 -3.109 -2.016 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.756 -4.168 -1.252 1.00 0.00 C ATOM 1099 C ILE A 72 -6.803 -4.904 -0.417 1.00 0.00 C ATOM 1100 O ILE A 72 -6.674 -6.079 -0.137 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.677 -3.534 -0.358 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.491 -3.154 -1.250 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -4.214 -4.537 0.716 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.377 -2.500 -0.425 1.00 0.00 C ATOM 0 H ILE A 72 -6.323 -2.160 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.260 -4.873 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.079 -2.655 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.106 -4.043 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.822 -2.469 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.450 -4.074 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.064 -4.825 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.800 -5.422 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.545 -2.239 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.760 -1.598 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.033 -3.197 0.339 1.00 0.00 H new ATOM 1116 N ASP A 73 -7.845 -4.219 -0.019 1.00 0.00 N ATOM 1117 CA ASP A 73 -8.897 -4.891 0.792 1.00 0.00 C ATOM 1118 C ASP A 73 -9.484 -6.055 -0.016 1.00 0.00 C ATOM 1119 O ASP A 73 -9.535 -7.185 0.439 1.00 0.00 O ATOM 1120 CB ASP A 73 -10.000 -3.890 1.144 1.00 0.00 C ATOM 1121 CG ASP A 73 -11.121 -4.608 1.899 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -10.863 -5.070 3.000 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -12.215 -4.684 1.367 1.00 0.00 O ATOM 0 H ASP A 73 -8.010 -3.233 -0.220 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.461 -5.271 1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.593 -3.085 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.394 -3.433 0.236 1.00 0.00 H new ATOM 1128 N ASP A 74 -9.926 -5.791 -1.217 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.506 -6.883 -2.051 1.00 0.00 C ATOM 1130 C ASP A 74 -9.406 -7.890 -2.403 1.00 0.00 C ATOM 1131 O ASP A 74 -9.653 -9.067 -2.524 1.00 0.00 O ATOM 1132 CB ASP A 74 -11.140 -6.286 -3.328 1.00 0.00 C ATOM 1133 CG ASP A 74 -10.115 -6.186 -4.467 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -9.282 -5.300 -4.412 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -10.188 -6.999 -5.373 1.00 0.00 O ATOM 0 H ASP A 74 -9.911 -4.870 -1.655 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.287 -7.400 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.978 -6.907 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.541 -5.296 -3.109 1.00 0.00 H new ATOM 1140 N ALA A 75 -8.190 -7.445 -2.560 1.00 0.00 N ATOM 1141 CA ALA A 75 -7.113 -8.404 -2.889 1.00 0.00 C ATOM 1142 C ALA A 75 -6.853 -9.258 -1.655 1.00 0.00 C ATOM 1143 O ALA A 75 -6.454 -10.402 -1.750 1.00 0.00 O ATOM 1144 CB ALA A 75 -5.839 -7.654 -3.292 1.00 0.00 C ATOM 0 H ALA A 75 -7.903 -6.470 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.412 -9.033 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.055 -8.372 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.043 -7.034 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.512 -7.022 -2.466 1.00 0.00 H new ATOM 1150 N LEU A 76 -7.124 -8.725 -0.493 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.946 -9.513 0.739 1.00 0.00 C ATOM 1152 C LEU A 76 -7.811 -10.762 0.563 1.00 0.00 C ATOM 1153 O LEU A 76 -7.486 -11.847 1.001 1.00 0.00 O ATOM 1154 CB LEU A 76 -7.450 -8.653 1.928 1.00 0.00 C ATOM 1155 CG LEU A 76 -6.465 -8.719 3.111 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.333 -7.699 2.909 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -7.203 -8.405 4.421 1.00 0.00 C ATOM 0 H LEU A 76 -7.462 -7.773 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.910 -9.792 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.571 -7.618 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.431 -9.005 2.246 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.043 -9.723 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.641 -7.752 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.800 -7.925 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.754 -6.695 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.502 -8.453 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.633 -7.405 4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.999 -9.134 4.574 1.00 0.00 H new ATOM 1169 N LYS A 77 -8.917 -10.580 -0.106 1.00 0.00 N ATOM 1170 CA LYS A 77 -9.853 -11.688 -0.374 1.00 0.00 C ATOM 1171 C LYS A 77 -9.246 -12.676 -1.375 1.00 0.00 C ATOM 1172 O LYS A 77 -9.267 -13.874 -1.172 1.00 0.00 O ATOM 1173 CB LYS A 77 -11.125 -11.093 -0.981 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.264 -12.106 -0.860 1.00 0.00 C ATOM 1175 CD LYS A 77 -12.898 -12.027 0.553 1.00 0.00 C ATOM 1176 CE LYS A 77 -13.270 -13.429 1.050 1.00 0.00 C ATOM 1177 NZ LYS A 77 -13.938 -13.321 2.378 1.00 0.00 N ATOM 0 H LYS A 77 -9.211 -9.680 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.066 -12.217 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.389 -10.169 -0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.958 -10.839 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.021 -11.907 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.887 -13.112 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.198 -11.562 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.786 -11.396 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.933 -13.916 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.376 -14.048 1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.191 -14.271 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.290 -12.872 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.799 -12.745 2.288 1.00 0.00 H new ATOM 1191 N LEU A 78 -8.731 -12.179 -2.465 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.155 -13.086 -3.494 1.00 0.00 C ATOM 1193 C LEU A 78 -7.101 -13.968 -2.831 1.00 0.00 C ATOM 1194 O LEU A 78 -6.979 -15.140 -3.129 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.531 -12.236 -4.621 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.566 -11.996 -5.731 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.831 -11.357 -5.135 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.968 -11.062 -6.791 1.00 0.00 C ATOM 0 H LEU A 78 -8.685 -11.184 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.928 -13.722 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.187 -11.282 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.658 -12.744 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.830 -12.948 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.561 -11.189 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.256 -12.023 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.574 -10.405 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.701 -10.890 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.702 -10.111 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.076 -11.520 -7.218 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.362 -13.425 -1.912 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.343 -14.244 -1.208 1.00 0.00 C ATOM 1212 C ALA A 79 -6.049 -15.367 -0.448 1.00 0.00 C ATOM 1213 O ALA A 79 -5.686 -16.523 -0.540 1.00 0.00 O ATOM 1214 CB ALA A 79 -4.586 -13.359 -0.216 1.00 0.00 C ATOM 0 H ALA A 79 -6.418 -12.450 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.643 -14.668 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.836 -13.955 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.096 -12.547 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.286 -12.944 0.509 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.049 -15.025 0.318 1.00 0.00 N ATOM 1221 CA ASN A 80 -7.777 -16.052 1.110 1.00 0.00 C ATOM 1222 C ASN A 80 -8.669 -16.924 0.212 1.00 0.00 C ATOM 1223 O ASN A 80 -9.169 -17.944 0.641 1.00 0.00 O ATOM 1224 CB ASN A 80 -8.624 -15.354 2.190 1.00 0.00 C ATOM 1225 CG ASN A 80 -8.676 -16.241 3.429 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -9.734 -16.661 3.856 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -7.557 -16.542 4.025 1.00 0.00 N ATOM 0 H ASN A 80 -7.394 -14.071 0.429 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.047 -16.709 1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.193 -14.384 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.631 -15.168 1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.565 -17.134 4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.673 -16.186 3.661 1.00 0.00 H new ATOM 1234 N GLU A 81 -8.886 -16.541 -1.022 1.00 0.00 N ATOM 1235 CA GLU A 81 -9.760 -17.371 -1.915 1.00 0.00 C ATOM 1236 C GLU A 81 -8.892 -18.333 -2.733 1.00 0.00 C ATOM 1237 O GLU A 81 -9.390 -19.231 -3.382 1.00 0.00 O ATOM 1238 CB GLU A 81 -10.541 -16.454 -2.863 1.00 0.00 C ATOM 1239 CG GLU A 81 -11.734 -15.838 -2.125 1.00 0.00 C ATOM 1240 CD GLU A 81 -12.835 -16.888 -1.963 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -13.031 -17.660 -2.889 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -13.462 -16.905 -0.918 1.00 0.00 O ATOM 0 H GLU A 81 -8.501 -15.698 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.459 -17.944 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.889 -15.666 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.889 -17.021 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.420 -15.472 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.114 -14.980 -2.680 1.00 0.00 H new ATOM 1249 N GLY A 82 -7.595 -18.167 -2.692 1.00 0.00 N ATOM 1250 CA GLY A 82 -6.689 -19.087 -3.450 1.00 0.00 C ATOM 1251 C GLY A 82 -6.304 -18.475 -4.800 1.00 0.00 C ATOM 1252 O GLY A 82 -5.740 -19.140 -5.646 1.00 0.00 O ATOM 0 H GLY A 82 -7.122 -17.433 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.791 -19.285 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.184 -20.045 -3.607 1.00 0.00 H new ATOM 1256 N LYS A 83 -6.593 -17.214 -5.016 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.226 -16.574 -6.321 1.00 0.00 C ATOM 1258 C LYS A 83 -4.868 -15.887 -6.159 1.00 0.00 C ATOM 1259 O LYS A 83 -4.770 -14.704 -5.902 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.288 -15.548 -6.755 1.00 0.00 C ATOM 1261 CG LYS A 83 -8.687 -15.985 -6.316 1.00 0.00 C ATOM 1262 CD LYS A 83 -8.948 -17.464 -6.677 1.00 0.00 C ATOM 1263 CE LYS A 83 -10.445 -17.688 -6.927 1.00 0.00 C ATOM 1264 NZ LYS A 83 -10.791 -17.233 -8.303 1.00 0.00 N ATOM 0 H LYS A 83 -7.065 -16.602 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.173 -17.341 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.055 -14.574 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.263 -15.430 -7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.794 -15.846 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.435 -15.353 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.378 -17.736 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.605 -18.110 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.691 -18.743 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.034 -17.139 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.819 -17.094 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.306 -16.335 -8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.490 -17.951 -8.992 1.00 0.00 H new ATOM 1278 N VAL A 84 -3.826 -16.644 -6.296 1.00 0.00 N ATOM 1279 CA VAL A 84 -2.450 -16.089 -6.145 1.00 0.00 C ATOM 1280 C VAL A 84 -2.064 -15.326 -7.406 1.00 0.00 C ATOM 1281 O VAL A 84 -1.696 -14.170 -7.348 1.00 0.00 O ATOM 1282 CB VAL A 84 -1.455 -17.233 -5.898 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.046 -16.657 -5.728 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -1.862 -17.990 -4.630 1.00 0.00 C ATOM 0 H VAL A 84 -3.863 -17.641 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.426 -15.407 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.462 -17.917 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.660 -17.469 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.238 -16.118 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.032 -15.974 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.159 -18.803 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.853 -17.308 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.865 -18.399 -4.756 1.00 0.00 H new ATOM 1294 N LYS A 85 -2.155 -15.944 -8.550 1.00 0.00 N ATOM 1295 CA LYS A 85 -1.799 -15.218 -9.797 1.00 0.00 C ATOM 1296 C LYS A 85 -2.599 -13.917 -9.849 1.00 0.00 C ATOM 1297 O LYS A 85 -2.088 -12.878 -10.218 1.00 0.00 O ATOM 1298 CB LYS A 85 -2.116 -16.086 -11.026 1.00 0.00 C ATOM 1299 CG LYS A 85 -1.201 -17.343 -11.049 1.00 0.00 C ATOM 1300 CD LYS A 85 -1.909 -18.563 -10.400 1.00 0.00 C ATOM 1301 CE LYS A 85 -2.538 -19.446 -11.484 1.00 0.00 C ATOM 1302 NZ LYS A 85 -3.308 -20.551 -10.845 1.00 0.00 N ATOM 0 H LYS A 85 -2.457 -16.910 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.732 -14.996 -9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.163 -16.390 -11.005 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.971 -15.505 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.931 -17.581 -12.078 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.274 -17.131 -10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.192 -19.143 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.678 -18.221 -9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.195 -18.850 -12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.761 -19.856 -12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.734 -21.149 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.669 -21.126 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.059 -20.150 -10.247 1.00 0.00 H new ATOM 1316 N GLU A 86 -3.843 -13.953 -9.450 1.00 0.00 N ATOM 1317 CA GLU A 86 -4.647 -12.705 -9.446 1.00 0.00 C ATOM 1318 C GLU A 86 -4.064 -11.779 -8.389 1.00 0.00 C ATOM 1319 O GLU A 86 -3.922 -10.590 -8.591 1.00 0.00 O ATOM 1320 CB GLU A 86 -6.111 -12.998 -9.103 1.00 0.00 C ATOM 1321 CG GLU A 86 -6.702 -13.978 -10.124 1.00 0.00 C ATOM 1322 CD GLU A 86 -8.227 -13.996 -9.993 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -8.761 -13.106 -9.351 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -8.836 -14.902 -10.537 1.00 0.00 O ATOM 0 H GLU A 86 -4.331 -14.789 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.614 -12.248 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.181 -13.419 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.685 -12.072 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.417 -13.683 -11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.301 -14.978 -9.959 1.00 0.00 H new ATOM 1331 N ALA A 87 -3.722 -12.326 -7.251 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.146 -11.479 -6.174 1.00 0.00 C ATOM 1333 C ALA A 87 -1.776 -10.967 -6.619 1.00 0.00 C ATOM 1334 O ALA A 87 -1.498 -9.786 -6.587 1.00 0.00 O ATOM 1335 CB ALA A 87 -2.997 -12.305 -4.897 1.00 0.00 C ATOM 0 H ALA A 87 -3.817 -13.316 -7.025 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.806 -10.634 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.575 -11.683 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.975 -12.672 -4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.335 -13.150 -5.086 1.00 0.00 H new ATOM 1341 N GLN A 88 -0.926 -11.857 -7.044 1.00 0.00 N ATOM 1342 CA GLN A 88 0.424 -11.463 -7.506 1.00 0.00 C ATOM 1343 C GLN A 88 0.267 -10.495 -8.692 1.00 0.00 C ATOM 1344 O GLN A 88 0.872 -9.439 -8.734 1.00 0.00 O ATOM 1345 CB GLN A 88 1.182 -12.772 -7.873 1.00 0.00 C ATOM 1346 CG GLN A 88 1.620 -12.811 -9.341 1.00 0.00 C ATOM 1347 CD GLN A 88 2.542 -14.012 -9.568 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.631 -13.866 -10.084 1.00 0.00 O ATOM 1349 NE2 GLN A 88 2.149 -15.202 -9.201 1.00 0.00 N ATOM 0 H GLN A 88 -1.117 -12.858 -7.090 1.00 0.00 H new ATOM 0 HA GLN A 88 1.002 -10.939 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.059 -12.870 -7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.540 -13.628 -7.667 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.747 -12.882 -9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.137 -11.888 -9.602 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.234 -15.326 -8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.757 -16.008 -9.348 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.550 -10.839 -9.644 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.748 -9.929 -10.804 1.00 0.00 C ATOM 1360 C ALA A 89 -1.188 -8.567 -10.267 1.00 0.00 C ATOM 1361 O ALA A 89 -0.837 -7.531 -10.799 1.00 0.00 O ATOM 1362 CB ALA A 89 -1.830 -10.495 -11.726 1.00 0.00 C ATOM 0 H ALA A 89 -1.087 -11.706 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 89 0.178 -9.832 -11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.972 -9.825 -12.574 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.524 -11.477 -12.086 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.766 -10.586 -11.175 1.00 0.00 H new ATOM 1368 N ALA A 90 -1.927 -8.560 -9.190 1.00 0.00 N ATOM 1369 CA ALA A 90 -2.351 -7.265 -8.599 1.00 0.00 C ATOM 1370 C ALA A 90 -1.094 -6.576 -8.070 1.00 0.00 C ATOM 1371 O ALA A 90 -1.003 -5.369 -8.009 1.00 0.00 O ATOM 1372 CB ALA A 90 -3.341 -7.516 -7.455 1.00 0.00 C ATOM 0 H ALA A 90 -2.252 -9.392 -8.698 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.846 -6.639 -9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.649 -6.563 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.216 -8.040 -7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.863 -8.123 -6.687 1.00 0.00 H new ATOM 1378 N ALA A 91 -0.110 -7.348 -7.709 1.00 0.00 N ATOM 1379 CA ALA A 91 1.156 -6.753 -7.203 1.00 0.00 C ATOM 1380 C ALA A 91 1.648 -5.735 -8.230 1.00 0.00 C ATOM 1381 O ALA A 91 1.927 -4.599 -7.908 1.00 0.00 O ATOM 1382 CB ALA A 91 2.210 -7.853 -7.021 1.00 0.00 C ATOM 0 H ALA A 91 -0.128 -8.367 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 91 0.986 -6.268 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.135 -7.412 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.847 -8.590 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.398 -8.339 -7.978 1.00 0.00 H new ATOM 1388 N GLU A 92 1.732 -6.123 -9.471 1.00 0.00 N ATOM 1389 CA GLU A 92 2.176 -5.158 -10.509 1.00 0.00 C ATOM 1390 C GLU A 92 1.143 -4.032 -10.579 1.00 0.00 C ATOM 1391 O GLU A 92 1.453 -2.919 -10.953 1.00 0.00 O ATOM 1392 CB GLU A 92 2.298 -5.875 -11.867 1.00 0.00 C ATOM 1393 CG GLU A 92 3.722 -6.434 -12.037 1.00 0.00 C ATOM 1394 CD GLU A 92 3.713 -7.569 -13.066 1.00 0.00 C ATOM 1395 OE1 GLU A 92 3.413 -7.296 -14.216 1.00 0.00 O ATOM 1396 OE2 GLU A 92 4.006 -8.690 -12.684 1.00 0.00 O ATOM 0 H GLU A 92 1.514 -7.061 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 92 3.153 -4.744 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.570 -6.684 -11.928 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.071 -5.181 -12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.397 -5.642 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.096 -6.800 -11.081 1.00 0.00 H new ATOM 1403 N GLN A 93 -0.077 -4.299 -10.183 1.00 0.00 N ATOM 1404 CA GLN A 93 -1.097 -3.221 -10.190 1.00 0.00 C ATOM 1405 C GLN A 93 -0.787 -2.323 -8.999 1.00 0.00 C ATOM 1406 O GLN A 93 -0.920 -1.118 -9.056 1.00 0.00 O ATOM 1407 CB GLN A 93 -2.510 -3.827 -10.052 1.00 0.00 C ATOM 1408 CG GLN A 93 -3.608 -2.806 -10.462 1.00 0.00 C ATOM 1409 CD GLN A 93 -4.246 -2.156 -9.223 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -5.442 -1.945 -9.185 1.00 0.00 O ATOM 1411 NE2 GLN A 93 -3.499 -1.835 -8.199 1.00 0.00 N ATOM 0 H GLN A 93 -0.403 -5.210 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.071 -2.657 -11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.588 -4.717 -10.676 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.672 -4.144 -9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.173 -2.035 -11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.376 -3.309 -11.050 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.494 -2.010 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.921 -1.410 -7.373 1.00 0.00 H new ATOM 1420 N LEU A 94 -0.344 -2.916 -7.918 1.00 0.00 N ATOM 1421 CA LEU A 94 0.012 -2.109 -6.718 1.00 0.00 C ATOM 1422 C LEU A 94 1.203 -1.226 -7.097 1.00 0.00 C ATOM 1423 O LEU A 94 1.218 -0.034 -6.872 1.00 0.00 O ATOM 1424 CB LEU A 94 0.423 -3.039 -5.552 1.00 0.00 C ATOM 1425 CG LEU A 94 -0.782 -3.366 -4.634 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -1.603 -4.503 -5.254 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -0.293 -3.800 -3.233 1.00 0.00 C ATOM 0 H LEU A 94 -0.215 -3.923 -7.818 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.841 -1.509 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.838 -3.964 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.210 -2.564 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.397 -2.472 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.451 -4.733 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.966 -4.196 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.976 -5.389 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.152 -4.026 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.333 -4.688 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.286 -2.993 -2.783 1.00 0.00 H new ATOM 1439 N LYS A 95 2.201 -1.823 -7.681 1.00 0.00 N ATOM 1440 CA LYS A 95 3.402 -1.056 -8.095 1.00 0.00 C ATOM 1441 C LYS A 95 2.952 0.169 -8.898 1.00 0.00 C ATOM 1442 O LYS A 95 3.443 1.267 -8.709 1.00 0.00 O ATOM 1443 CB LYS A 95 4.291 -1.970 -8.949 1.00 0.00 C ATOM 1444 CG LYS A 95 4.802 -3.159 -8.093 1.00 0.00 C ATOM 1445 CD LYS A 95 6.245 -3.525 -8.479 1.00 0.00 C ATOM 1446 CE LYS A 95 7.218 -2.398 -8.068 1.00 0.00 C ATOM 1447 NZ LYS A 95 8.520 -2.999 -7.662 1.00 0.00 N ATOM 0 H LYS A 95 2.235 -2.821 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 95 3.969 -0.717 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.729 -2.342 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.136 -1.405 -9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.758 -2.898 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.152 -4.022 -8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.533 -4.457 -7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.308 -3.694 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.366 -1.708 -8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.798 -1.821 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.179 -2.244 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.370 -3.641 -6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.920 -3.532 -8.460 1.00 0.00 H new ATOM 1461 N THR A 96 2.005 -0.005 -9.780 1.00 0.00 N ATOM 1462 CA THR A 96 1.508 1.155 -10.578 1.00 0.00 C ATOM 1463 C THR A 96 0.698 2.080 -9.667 1.00 0.00 C ATOM 1464 O THR A 96 0.732 3.287 -9.808 1.00 0.00 O ATOM 1465 CB THR A 96 0.622 0.652 -11.721 1.00 0.00 C ATOM 1466 OG1 THR A 96 1.306 -0.367 -12.438 1.00 0.00 O ATOM 1467 CG2 THR A 96 0.293 1.812 -12.663 1.00 0.00 C ATOM 0 H THR A 96 1.554 -0.897 -9.983 1.00 0.00 H new ATOM 0 HA THR A 96 2.353 1.701 -10.996 1.00 0.00 H new ATOM 0 HB THR A 96 -0.304 0.247 -11.312 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.285 -1.200 -11.922 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.338 1.453 -13.476 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.234 2.590 -12.111 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.216 2.221 -13.073 1.00 0.00 H new ATOM 1475 N THR A 97 -0.021 1.530 -8.723 1.00 0.00 N ATOM 1476 CA THR A 97 -0.812 2.396 -7.806 1.00 0.00 C ATOM 1477 C THR A 97 0.167 3.308 -7.069 1.00 0.00 C ATOM 1478 O THR A 97 -0.047 4.497 -6.937 1.00 0.00 O ATOM 1479 CB THR A 97 -1.574 1.532 -6.792 1.00 0.00 C ATOM 1480 OG1 THR A 97 -2.743 1.006 -7.401 1.00 0.00 O ATOM 1481 CG2 THR A 97 -1.964 2.366 -5.569 1.00 0.00 C ATOM 0 H THR A 97 -0.093 0.527 -8.550 1.00 0.00 H new ATOM 0 HA THR A 97 -1.536 2.983 -8.371 1.00 0.00 H new ATOM 0 HB THR A 97 -0.929 0.715 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.228 0.453 -6.754 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.504 1.740 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.065 2.760 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.602 3.193 -5.881 1.00 0.00 H new ATOM 1489 N ILE A 98 1.248 2.752 -6.596 1.00 0.00 N ATOM 1490 CA ILE A 98 2.255 3.572 -5.877 1.00 0.00 C ATOM 1491 C ILE A 98 2.600 4.774 -6.742 1.00 0.00 C ATOM 1492 O ILE A 98 2.804 5.864 -6.253 1.00 0.00 O ATOM 1493 CB ILE A 98 3.515 2.740 -5.656 1.00 0.00 C ATOM 1494 CG1 ILE A 98 3.209 1.611 -4.661 1.00 0.00 C ATOM 1495 CG2 ILE A 98 4.637 3.633 -5.107 1.00 0.00 C ATOM 1496 CD1 ILE A 98 4.412 0.666 -4.532 1.00 0.00 C ATOM 0 H ILE A 98 1.475 1.761 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 98 1.859 3.897 -4.915 1.00 0.00 H new ATOM 0 HB ILE A 98 3.839 2.309 -6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 98 2.965 2.034 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.334 1.052 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.535 3.035 -4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.851 4.429 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.323 4.070 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.177 -0.128 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.637 0.229 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.278 1.225 -4.177 1.00 0.00 H new ATOM 1508 N ARG A 99 2.672 4.575 -8.030 1.00 0.00 N ATOM 1509 CA ARG A 99 3.018 5.702 -8.932 1.00 0.00 C ATOM 1510 C ARG A 99 2.028 6.854 -8.718 1.00 0.00 C ATOM 1511 O ARG A 99 2.401 7.981 -8.441 1.00 0.00 O ATOM 1512 CB ARG A 99 2.955 5.231 -10.391 1.00 0.00 C ATOM 1513 CG ARG A 99 3.653 6.264 -11.325 1.00 0.00 C ATOM 1514 CD ARG A 99 5.053 5.784 -11.756 1.00 0.00 C ATOM 1515 NE ARG A 99 6.038 6.045 -10.666 1.00 0.00 N ATOM 1516 CZ ARG A 99 7.236 5.526 -10.730 1.00 0.00 C ATOM 1517 NH1 ARG A 99 7.566 4.769 -11.741 1.00 0.00 N ATOM 1518 NH2 ARG A 99 8.104 5.771 -9.787 1.00 0.00 N ATOM 0 H ARG A 99 2.506 3.681 -8.493 1.00 0.00 H new ATOM 0 HA ARG A 99 4.027 6.048 -8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.439 4.259 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.916 5.101 -10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.037 6.431 -12.209 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.738 7.221 -10.810 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.027 4.719 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.360 6.300 -12.666 1.00 0.00 H new ATOM 0 HE ARG A 99 5.777 6.628 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.889 4.583 -12.481 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.501 4.364 -11.791 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.848 6.367 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.039 5.366 -9.837 1.00 0.00 H new ATOM 1532 N ALA A 100 0.760 6.589 -8.831 1.00 0.00 N ATOM 1533 CA ALA A 100 -0.226 7.677 -8.613 1.00 0.00 C ATOM 1534 C ALA A 100 -0.107 8.145 -7.163 1.00 0.00 C ATOM 1535 O ALA A 100 0.111 9.305 -6.877 1.00 0.00 O ATOM 1536 CB ALA A 100 -1.639 7.149 -8.870 1.00 0.00 C ATOM 0 H ALA A 100 0.367 5.677 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.031 8.506 -9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.361 7.949 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.713 6.794 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -1.850 6.327 -8.186 1.00 0.00 H new ATOM 1542 N TYR A 101 -0.206 7.242 -6.237 1.00 0.00 N ATOM 1543 CA TYR A 101 -0.084 7.638 -4.814 1.00 0.00 C ATOM 1544 C TYR A 101 1.225 8.413 -4.657 1.00 0.00 C ATOM 1545 O TYR A 101 1.380 9.219 -3.768 1.00 0.00 O ATOM 1546 CB TYR A 101 -0.104 6.358 -3.966 1.00 0.00 C ATOM 1547 CG TYR A 101 0.563 6.552 -2.628 1.00 0.00 C ATOM 1548 CD1 TYR A 101 1.957 6.595 -2.556 1.00 0.00 C ATOM 1549 CD2 TYR A 101 -0.204 6.659 -1.460 1.00 0.00 C ATOM 1550 CE1 TYR A 101 2.589 6.748 -1.325 1.00 0.00 C ATOM 1551 CE2 TYR A 101 0.430 6.818 -0.223 1.00 0.00 C ATOM 1552 CZ TYR A 101 1.828 6.861 -0.155 1.00 0.00 C ATOM 1553 OH TYR A 101 2.456 7.007 1.064 1.00 0.00 O ATOM 0 H TYR A 101 -0.366 6.248 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 101 -0.903 8.278 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.136 6.041 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 101 0.399 5.557 -4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.546 6.509 -3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -1.282 6.619 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.667 6.780 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.158 6.907 0.678 1.00 0.00 H new ATOM 0 HH TYR A 101 1.801 6.898 1.785 1.00 0.00 H new ATOM 1563 N ASN A 102 2.147 8.224 -5.559 1.00 0.00 N ATOM 1564 CA ASN A 102 3.407 9.015 -5.475 1.00 0.00 C ATOM 1565 C ASN A 102 3.042 10.486 -5.717 1.00 0.00 C ATOM 1566 O ASN A 102 3.692 11.379 -5.213 1.00 0.00 O ATOM 1567 CB ASN A 102 4.479 8.500 -6.486 1.00 0.00 C ATOM 1568 CG ASN A 102 4.844 9.564 -7.541 1.00 0.00 C ATOM 1569 OD1 ASN A 102 4.802 9.298 -8.725 1.00 0.00 O ATOM 1570 ND2 ASN A 102 5.202 10.764 -7.154 1.00 0.00 N ATOM 0 H ASN A 102 2.086 7.568 -6.338 1.00 0.00 H new ATOM 0 HA ASN A 102 3.860 8.903 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.377 8.207 -5.942 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.104 7.608 -6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.445 11.472 -7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.238 10.990 -6.160 1.00 0.00 H new ATOM 1577 N GLN A 103 1.994 10.760 -6.463 1.00 0.00 N ATOM 1578 CA GLN A 103 1.639 12.194 -6.665 1.00 0.00 C ATOM 1579 C GLN A 103 1.325 12.728 -5.283 1.00 0.00 C ATOM 1580 O GLN A 103 1.368 13.914 -5.018 1.00 0.00 O ATOM 1581 CB GLN A 103 0.432 12.359 -7.625 1.00 0.00 C ATOM 1582 CG GLN A 103 -0.911 12.050 -6.933 1.00 0.00 C ATOM 1583 CD GLN A 103 -1.326 13.196 -6.019 1.00 0.00 C ATOM 1584 OE1 GLN A 103 -1.692 14.265 -6.468 1.00 0.00 O ATOM 1585 NE2 GLN A 103 -1.276 12.995 -4.735 1.00 0.00 N ATOM 0 H GLN A 103 1.392 10.077 -6.923 1.00 0.00 H new ATOM 0 HA GLN A 103 2.456 12.743 -7.134 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.414 13.378 -8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.558 11.696 -8.481 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.682 11.881 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.824 11.131 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.967 12.093 -4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.546 13.739 -4.091 1.00 0.00 H new ATOM 1594 N LYS A 104 1.054 11.824 -4.383 1.00 0.00 N ATOM 1595 CA LYS A 104 0.784 12.222 -2.972 1.00 0.00 C ATOM 1596 C LYS A 104 2.132 12.481 -2.288 1.00 0.00 C ATOM 1597 O LYS A 104 2.239 13.283 -1.381 1.00 0.00 O ATOM 1598 CB LYS A 104 -0.054 11.098 -2.293 1.00 0.00 C ATOM 1599 CG LYS A 104 0.792 10.144 -1.402 1.00 0.00 C ATOM 1600 CD LYS A 104 0.707 10.540 0.087 1.00 0.00 C ATOM 1601 CE LYS A 104 2.029 10.229 0.806 1.00 0.00 C ATOM 1602 NZ LYS A 104 2.994 11.341 0.578 1.00 0.00 N ATOM 0 H LYS A 104 1.008 10.821 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 104 0.200 13.139 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.834 11.555 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.555 10.513 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.441 9.120 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.832 10.167 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.481 11.603 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.110 10.000 0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.853 10.100 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.444 9.292 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.840 10.973 0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.549 12.070 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.267 11.757 1.491 1.00 0.00 H new ATOM 1616 N TYR A 105 3.173 11.817 -2.748 1.00 0.00 N ATOM 1617 CA TYR A 105 4.534 12.024 -2.170 1.00 0.00 C ATOM 1618 C TYR A 105 5.318 12.926 -3.131 1.00 0.00 C ATOM 1619 O TYR A 105 6.483 13.206 -2.931 1.00 0.00 O ATOM 1620 CB TYR A 105 5.212 10.641 -1.956 1.00 0.00 C ATOM 1621 CG TYR A 105 6.584 10.579 -2.593 1.00 0.00 C ATOM 1622 CD1 TYR A 105 6.684 10.556 -3.980 1.00 0.00 C ATOM 1623 CD2 TYR A 105 7.740 10.544 -1.804 1.00 0.00 C ATOM 1624 CE1 TYR A 105 7.939 10.496 -4.596 1.00 0.00 C ATOM 1625 CE2 TYR A 105 9.000 10.485 -2.414 1.00 0.00 C ATOM 1626 CZ TYR A 105 9.099 10.461 -3.811 1.00 0.00 C ATOM 1627 OH TYR A 105 10.338 10.401 -4.415 1.00 0.00 O ATOM 0 H TYR A 105 3.131 11.136 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 105 4.494 12.513 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 105 5.298 10.441 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 105 4.581 9.858 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 105 5.789 10.585 -4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.661 10.562 -0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 105 8.013 10.477 -5.673 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.894 10.458 -1.808 1.00 0.00 H new ATOM 0 HH TYR A 105 11.036 10.384 -3.728 1.00 0.00 H new ATOM 1637 N GLY A 106 4.675 13.380 -4.171 1.00 0.00 N ATOM 1638 CA GLY A 106 5.364 14.267 -5.152 1.00 0.00 C ATOM 1639 C GLY A 106 5.313 15.711 -4.651 1.00 0.00 C ATOM 1640 O GLY A 106 5.110 15.898 -3.463 1.00 0.00 O ATOM 1641 OXT GLY A 106 5.477 16.606 -5.464 1.00 0.00 O ATOM 0 H GLY A 106 3.699 13.175 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.399 13.951 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.884 14.191 -6.128 1.00 0.00 H new