USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 117 ASN : amide:sc= -0.173 X(o=-0.17,f=0.068) USER MOD Set 2.1: A 8 MET CE :methyl -157:sc= -2.44 (180deg=-3.84!) USER MOD Set 2.2: A 73 TYR OH : rot 147:sc= 0.4 USER MOD Set 3.1: A 6 ASN : amide:sc= -5.4! C(o=-5.4!,f=-8.9!) USER MOD Set 3.2: A 10 LYS NZ :NH3+ 180:sc= 0.0442 (180deg=0) USER MOD Set 4.1: A 1 ALA N :NH3+ -154:sc= -0.532 (180deg=-0.189) USER MOD Set 4.2: A 4 GLN : amide:sc= -1.66 K(o=-3.8,f=-4.6!) USER MOD Set 4.3: A 72 ASN :FLIP amide:sc= -1.63 F(o=-4.5,f=-3.8) USER MOD Single : A 12 LYS NZ :NH3+ -136:sc= 0.926 (180deg=-0.165) USER MOD Single : A 15 SER OG : rot 180:sc= 0.029 USER MOD Single : A 16 SER OG : rot -95:sc= 0.353 USER MOD Single : A 23 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.8!) USER MOD Single : A 24 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.4!) USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 47 THR OG1 : rot 86:sc= 0.799 USER MOD Single : A 48 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-2.5) USER MOD Single : A 50 ASN : amide:sc= 0.822 K(o=0.82,f=-0.79) USER MOD Single : A 52 TYR OH : rot 67:sc= 1.09 USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -0.0173 (180deg=-0.08) USER MOD Single : A 54 GLN : amide:sc= -0.353 K(o=-0.35,f=-2.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -147:sc= -0.475 (180deg=-2.75!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.116 USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= 0.312 (180deg=0.0234) USER MOD Single : A 67 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.63 K(o=-1.6,f=-6.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 122:sc= 0.613 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 73:sc= 0.307 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.18 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.698 X(o=-0.7,f=-1.2) USER MOD Single : A 89 ASN : amide:sc= -5.19! C(o=-5.2!,f=-28!) USER MOD Single : A 97 ASN : amide:sc= -0.0773 K(o=-0.077,f=-2.1!) USER MOD Single : A 101 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.4!) USER MOD Single : A 107 SER OG : rot 7:sc= 0.783 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.011) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2.3) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.325) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.0783 F(o=-0.87,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 86.575 -9.037 -4.651 1.00 0.00 N ATOM 2 CA ALA A 1 86.698 -8.040 -5.753 1.00 0.00 C ATOM 3 C ALA A 1 86.420 -6.631 -5.224 1.00 0.00 C ATOM 4 O ALA A 1 86.857 -5.648 -5.788 1.00 0.00 O ATOM 5 CB ALA A 1 85.637 -8.448 -6.775 1.00 0.00 C ATOM 0 H1 ALA A 1 87.161 -9.868 -4.868 1.00 0.00 H new ATOM 0 H2 ALA A 1 86.897 -8.610 -3.759 1.00 0.00 H new ATOM 0 H3 ALA A 1 85.581 -9.329 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 1 87.698 -8.024 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 1 85.663 -7.761 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 1 85.839 -9.461 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 1 84.652 -8.414 -6.310 1.00 0.00 H new ATOM 13 N LEU A 2 85.694 -6.526 -4.145 1.00 0.00 N ATOM 14 CA LEU A 2 85.387 -5.180 -3.581 1.00 0.00 C ATOM 15 C LEU A 2 84.853 -5.316 -2.151 1.00 0.00 C ATOM 16 O LEU A 2 85.415 -4.781 -1.216 1.00 0.00 O ATOM 17 CB LEU A 2 84.311 -4.603 -4.502 1.00 0.00 C ATOM 18 CG LEU A 2 84.869 -3.385 -5.239 1.00 0.00 C ATOM 19 CD1 LEU A 2 84.017 -3.106 -6.478 1.00 0.00 C ATOM 20 CD2 LEU A 2 84.832 -2.168 -4.312 1.00 0.00 C ATOM 0 H LEU A 2 85.300 -7.313 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 2 86.268 -4.540 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.988 -5.358 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.434 -4.319 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 2 85.898 -3.582 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.414 -2.238 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.040 -3.973 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 2 82.989 -2.908 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 2 85.230 -1.299 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 2 83.803 -1.971 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 2 85.437 -2.366 -3.427 1.00 0.00 H new ATOM 32 N TRP A 3 83.772 -6.025 -1.977 1.00 0.00 N ATOM 33 CA TRP A 3 83.202 -6.194 -0.609 1.00 0.00 C ATOM 34 C TRP A 3 84.267 -6.736 0.349 1.00 0.00 C ATOM 35 O TRP A 3 84.192 -6.549 1.549 1.00 0.00 O ATOM 36 CB TRP A 3 82.062 -7.200 -0.778 1.00 0.00 C ATOM 37 CG TRP A 3 82.626 -8.564 -1.022 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.105 -9.007 -2.208 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.776 -9.667 -0.083 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.539 -10.312 -2.054 1.00 0.00 N ATOM 41 CE2 TRP A 3 83.358 -10.763 -0.763 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.468 -9.823 1.280 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.624 -11.969 -0.116 1.00 0.00 C ATOM 44 CZ3 TRP A 3 82.735 -11.036 1.935 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.311 -12.107 1.238 1.00 0.00 C ATOM 0 H TRP A 3 83.258 -6.495 -2.722 1.00 0.00 H new ATOM 0 HA TRP A 3 82.853 -5.251 -0.187 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.436 -7.209 0.115 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.424 -6.905 -1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 3 83.142 -8.436 -3.124 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.944 -10.872 -2.804 1.00 0.00 H new ATOM 0 HE3 TRP A 3 82.023 -9.005 1.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 84.069 -12.790 -0.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 82.495 -11.144 2.982 1.00 0.00 H new ATOM 0 HH2 TRP A 3 83.513 -13.038 1.747 1.00 0.00 H new ATOM 56 N GLN A 4 85.262 -7.404 -0.169 1.00 0.00 N ATOM 57 CA GLN A 4 86.331 -7.953 0.714 1.00 0.00 C ATOM 58 C GLN A 4 87.078 -6.811 1.406 1.00 0.00 C ATOM 59 O GLN A 4 87.354 -6.861 2.589 1.00 0.00 O ATOM 60 CB GLN A 4 87.268 -8.716 -0.225 1.00 0.00 C ATOM 61 CG GLN A 4 86.483 -9.809 -0.952 1.00 0.00 C ATOM 62 CD GLN A 4 87.374 -10.457 -2.013 1.00 0.00 C ATOM 63 OE1 GLN A 4 88.395 -9.912 -2.382 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.029 -11.608 -2.523 1.00 0.00 N ATOM 0 H GLN A 4 85.381 -7.593 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 4 85.931 -8.595 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.713 -8.031 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.087 -9.158 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 4 86.141 -10.561 -0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 4 85.594 -9.384 -1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 4 86.172 -12.066 -2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.617 -12.049 -3.231 1.00 0.00 H new ATOM 73 N PHE A 5 87.403 -5.778 0.677 1.00 0.00 N ATOM 74 CA PHE A 5 88.128 -4.630 1.293 1.00 0.00 C ATOM 75 C PHE A 5 87.325 -4.077 2.474 1.00 0.00 C ATOM 76 O PHE A 5 87.872 -3.731 3.501 1.00 0.00 O ATOM 77 CB PHE A 5 88.240 -3.588 0.178 1.00 0.00 C ATOM 78 CG PHE A 5 88.860 -2.323 0.725 1.00 0.00 C ATOM 79 CD1 PHE A 5 89.709 -2.381 1.837 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.587 -1.091 0.116 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.282 -1.209 2.341 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.162 0.081 0.620 1.00 0.00 C ATOM 83 CZ PHE A 5 90.009 0.022 1.734 1.00 0.00 C ATOM 0 H PHE A 5 87.198 -5.679 -0.317 1.00 0.00 H new ATOM 0 HA PHE A 5 89.107 -4.914 1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.847 -3.979 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.254 -3.373 -0.233 1.00 0.00 H new ATOM 0 HD1 PHE A 5 89.921 -3.331 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.933 -1.046 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 5 90.936 -1.254 3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 5 88.953 1.031 0.150 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.451 0.927 2.125 1.00 0.00 H new ATOM 93 N ASN A 6 86.030 -3.998 2.336 1.00 0.00 N ATOM 94 CA ASN A 6 85.192 -3.474 3.453 1.00 0.00 C ATOM 95 C ASN A 6 85.479 -4.257 4.736 1.00 0.00 C ATOM 96 O ASN A 6 85.848 -3.698 5.749 1.00 0.00 O ATOM 97 CB ASN A 6 83.749 -3.702 3.004 1.00 0.00 C ATOM 98 CG ASN A 6 82.790 -3.225 4.096 1.00 0.00 C ATOM 99 OD1 ASN A 6 82.966 -3.542 5.256 1.00 0.00 O ATOM 100 ND2 ASN A 6 81.775 -2.471 3.774 1.00 0.00 N ATOM 0 H ASN A 6 85.516 -4.273 1.499 1.00 0.00 H new ATOM 0 HA ASN A 6 85.394 -2.424 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.557 -3.163 2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.584 -4.760 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 6 81.130 -2.148 4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.626 -2.204 2.801 1.00 0.00 H new ATOM 107 N GLY A 7 85.309 -5.548 4.695 1.00 0.00 N ATOM 108 CA GLY A 7 85.568 -6.374 5.908 1.00 0.00 C ATOM 109 C GLY A 7 86.900 -5.965 6.538 1.00 0.00 C ATOM 110 O GLY A 7 87.047 -5.953 7.744 1.00 0.00 O ATOM 0 H GLY A 7 85.002 -6.068 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.760 -6.244 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.590 -7.431 5.642 1.00 0.00 H new ATOM 114 N MET A 8 87.875 -5.631 5.736 1.00 0.00 N ATOM 115 CA MET A 8 89.196 -5.228 6.301 1.00 0.00 C ATOM 116 C MET A 8 89.041 -3.983 7.181 1.00 0.00 C ATOM 117 O MET A 8 89.521 -3.936 8.295 1.00 0.00 O ATOM 118 CB MET A 8 90.074 -4.919 5.088 1.00 0.00 C ATOM 119 CG MET A 8 90.144 -6.148 4.180 1.00 0.00 C ATOM 120 SD MET A 8 91.447 -7.259 4.768 1.00 0.00 S ATOM 121 CE MET A 8 91.581 -8.262 3.268 1.00 0.00 C ATOM 0 H MET A 8 87.815 -5.620 4.718 1.00 0.00 H new ATOM 0 HA MET A 8 89.628 -6.008 6.928 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.667 -4.071 4.538 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.075 -4.637 5.413 1.00 0.00 H new ATOM 0 HG2 MET A 8 89.185 -6.665 4.176 1.00 0.00 H new ATOM 0 HG3 MET A 8 90.347 -5.844 3.153 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.006 -9.234 3.517 1.00 0.00 H new ATOM 0 HE2 MET A 8 90.591 -8.400 2.833 1.00 0.00 H new ATOM 0 HE3 MET A 8 92.226 -7.757 2.549 1.00 0.00 H new ATOM 131 N ILE A 9 88.376 -2.973 6.689 1.00 0.00 N ATOM 132 CA ILE A 9 88.196 -1.735 7.500 1.00 0.00 C ATOM 133 C ILE A 9 87.329 -2.026 8.728 1.00 0.00 C ATOM 134 O ILE A 9 87.292 -1.259 9.669 1.00 0.00 O ATOM 135 CB ILE A 9 87.491 -0.747 6.569 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.358 -0.509 5.329 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.276 0.580 7.301 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.555 0.270 4.286 1.00 0.00 C ATOM 0 H ILE A 9 87.950 -2.951 5.762 1.00 0.00 H new ATOM 0 HA ILE A 9 89.145 -1.343 7.867 1.00 0.00 H new ATOM 0 HB ILE A 9 86.527 -1.156 6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.256 0.046 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.686 -1.462 4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 9 86.774 1.284 6.638 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.661 0.412 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.240 0.990 7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.172 0.439 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.671 -0.302 4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.249 1.229 4.704 1.00 0.00 H new ATOM 150 N LYS A 10 86.632 -3.129 8.726 1.00 0.00 N ATOM 151 CA LYS A 10 85.768 -3.467 9.893 1.00 0.00 C ATOM 152 C LYS A 10 86.579 -4.214 10.955 1.00 0.00 C ATOM 153 O LYS A 10 86.402 -4.012 12.141 1.00 0.00 O ATOM 154 CB LYS A 10 84.669 -4.366 9.325 1.00 0.00 C ATOM 155 CG LYS A 10 83.596 -3.502 8.660 1.00 0.00 C ATOM 156 CD LYS A 10 82.239 -4.205 8.754 1.00 0.00 C ATOM 157 CE LYS A 10 82.387 -5.665 8.322 1.00 0.00 C ATOM 158 NZ LYS A 10 81.493 -5.807 7.140 1.00 0.00 N ATOM 0 H LYS A 10 86.623 -3.811 7.967 1.00 0.00 H new ATOM 0 HA LYS A 10 85.359 -2.579 10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 10 85.092 -5.061 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.227 -4.965 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.547 -2.528 9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.853 -3.324 7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 10 81.861 -4.154 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.511 -3.699 8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 10 83.420 -5.898 8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 10 82.095 -6.345 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 81.539 -6.783 6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.515 -5.585 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 81.799 -5.152 6.392 1.00 0.00 H new ATOM 172 N CYS A 11 87.467 -5.076 10.541 1.00 0.00 N ATOM 173 CA CYS A 11 88.285 -5.833 11.523 1.00 0.00 C ATOM 174 C CYS A 11 89.164 -4.875 12.325 1.00 0.00 C ATOM 175 O CYS A 11 89.207 -4.919 13.538 1.00 0.00 O ATOM 176 CB CYS A 11 89.151 -6.764 10.675 1.00 0.00 C ATOM 177 SG CYS A 11 90.109 -7.851 11.760 1.00 0.00 S ATOM 0 H CYS A 11 87.660 -5.287 9.562 1.00 0.00 H new ATOM 0 HA CYS A 11 87.672 -6.380 12.239 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.523 -7.357 10.010 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.821 -6.180 10.044 1.00 0.00 H new ATOM 182 N LYS A 12 89.865 -4.011 11.649 1.00 0.00 N ATOM 183 CA LYS A 12 90.750 -3.042 12.360 1.00 0.00 C ATOM 184 C LYS A 12 89.911 -1.987 13.086 1.00 0.00 C ATOM 185 O LYS A 12 90.234 -1.568 14.179 1.00 0.00 O ATOM 186 CB LYS A 12 91.590 -2.390 11.261 1.00 0.00 C ATOM 187 CG LYS A 12 92.747 -3.317 10.881 1.00 0.00 C ATOM 188 CD LYS A 12 94.068 -2.548 10.971 1.00 0.00 C ATOM 189 CE LYS A 12 95.040 -3.304 11.879 1.00 0.00 C ATOM 190 NZ LYS A 12 94.752 -2.806 13.253 1.00 0.00 N ATOM 0 H LYS A 12 89.865 -3.932 10.632 1.00 0.00 H new ATOM 0 HA LYS A 12 91.369 -3.529 13.114 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.970 -2.188 10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.977 -1.431 11.606 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.770 -4.179 11.547 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.604 -3.699 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.500 -2.429 9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.892 -1.547 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 12 94.888 -4.381 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 12 96.075 -3.110 11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.647 -2.620 13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 94.199 -1.927 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 94.209 -3.523 13.775 1.00 0.00 H new ATOM 204 N ILE A 13 88.840 -1.551 12.482 1.00 0.00 N ATOM 205 CA ILE A 13 87.987 -0.518 13.137 1.00 0.00 C ATOM 206 C ILE A 13 86.535 -0.999 13.216 1.00 0.00 C ATOM 207 O ILE A 13 85.715 -0.644 12.391 1.00 0.00 O ATOM 208 CB ILE A 13 88.100 0.711 12.235 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.513 1.289 12.341 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.084 1.764 12.676 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.825 2.114 11.090 1.00 0.00 C ATOM 0 H ILE A 13 88.519 -1.864 11.566 1.00 0.00 H new ATOM 0 HA ILE A 13 88.303 -0.306 14.159 1.00 0.00 H new ATOM 0 HB ILE A 13 87.899 0.425 11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.596 1.913 13.231 1.00 0.00 H new ATOM 0 HG13 ILE A 13 90.239 0.483 12.448 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.165 2.640 12.032 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.078 1.352 12.603 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.284 2.052 13.708 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.832 2.525 11.167 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.760 1.477 10.208 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.106 2.929 11.003 1.00 0.00 H new ATOM 223 N PRO A 14 86.269 -1.797 14.214 1.00 0.00 N ATOM 224 CA PRO A 14 84.905 -2.342 14.417 1.00 0.00 C ATOM 225 C PRO A 14 83.974 -1.260 14.973 1.00 0.00 C ATOM 226 O PRO A 14 82.779 -1.282 14.753 1.00 0.00 O ATOM 227 CB PRO A 14 85.114 -3.456 15.437 1.00 0.00 C ATOM 228 CG PRO A 14 86.360 -3.081 16.177 1.00 0.00 C ATOM 229 CD PRO A 14 87.210 -2.262 15.238 1.00 0.00 C ATOM 0 HA PRO A 14 84.442 -2.695 13.495 1.00 0.00 H new ATOM 0 HB2 PRO A 14 84.263 -3.535 16.113 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.223 -4.423 14.947 1.00 0.00 H new ATOM 0 HG2 PRO A 14 86.118 -2.510 17.073 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.897 -3.972 16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.682 -1.426 15.754 1.00 0.00 H new ATOM 0 HD3 PRO A 14 88.010 -2.860 14.802 1.00 0.00 H new ATOM 237 N SER A 15 84.512 -0.312 15.691 1.00 0.00 N ATOM 238 CA SER A 15 83.658 0.770 16.260 1.00 0.00 C ATOM 239 C SER A 15 83.108 1.653 15.135 1.00 0.00 C ATOM 240 O SER A 15 82.013 2.172 15.221 1.00 0.00 O ATOM 241 CB SER A 15 84.589 1.573 17.167 1.00 0.00 C ATOM 242 OG SER A 15 85.793 1.860 16.465 1.00 0.00 O ATOM 0 H SER A 15 85.506 -0.240 15.908 1.00 0.00 H new ATOM 0 HA SER A 15 82.799 0.377 16.805 1.00 0.00 H new ATOM 0 HB2 SER A 15 84.105 2.499 17.477 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.808 1.009 18.074 1.00 0.00 H new ATOM 0 HG SER A 15 86.393 2.377 17.042 1.00 0.00 H new ATOM 248 N SER A 16 83.859 1.827 14.082 1.00 0.00 N ATOM 249 CA SER A 16 83.380 2.678 12.955 1.00 0.00 C ATOM 250 C SER A 16 83.132 1.821 11.710 1.00 0.00 C ATOM 251 O SER A 16 83.898 0.934 11.392 1.00 0.00 O ATOM 252 CB SER A 16 84.510 3.673 12.703 1.00 0.00 C ATOM 253 OG SER A 16 84.072 4.980 13.048 1.00 0.00 O ATOM 0 H SER A 16 84.784 1.417 13.953 1.00 0.00 H new ATOM 0 HA SER A 16 82.440 3.178 13.187 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.386 3.403 13.293 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.810 3.642 11.655 1.00 0.00 H new ATOM 0 HG SER A 16 83.749 5.439 12.245 1.00 0.00 H new ATOM 259 N GLU A 17 82.067 2.082 11.001 1.00 0.00 N ATOM 260 CA GLU A 17 81.773 1.284 9.777 1.00 0.00 C ATOM 261 C GLU A 17 82.384 1.958 8.547 1.00 0.00 C ATOM 262 O GLU A 17 82.534 3.163 8.510 1.00 0.00 O ATOM 263 CB GLU A 17 80.247 1.259 9.675 1.00 0.00 C ATOM 264 CG GLU A 17 79.663 0.647 10.949 1.00 0.00 C ATOM 265 CD GLU A 17 78.306 0.013 10.636 1.00 0.00 C ATOM 266 OE1 GLU A 17 77.852 0.157 9.512 1.00 0.00 O ATOM 267 OE2 GLU A 17 77.744 -0.604 11.526 1.00 0.00 O ATOM 0 H GLU A 17 81.389 2.813 11.217 1.00 0.00 H new ATOM 0 HA GLU A 17 82.193 0.279 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.864 2.270 9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.939 0.679 8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 17 80.344 -0.105 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 17 79.550 1.414 11.715 1.00 0.00 H new ATOM 274 N PRO A 18 82.717 1.152 7.577 1.00 0.00 N ATOM 275 CA PRO A 18 83.319 1.673 6.327 1.00 0.00 C ATOM 276 C PRO A 18 82.263 2.391 5.485 1.00 0.00 C ATOM 277 O PRO A 18 82.577 3.156 4.595 1.00 0.00 O ATOM 278 CB PRO A 18 83.822 0.416 5.622 1.00 0.00 C ATOM 279 CG PRO A 18 82.975 -0.695 6.157 1.00 0.00 C ATOM 280 CD PRO A 18 82.564 -0.307 7.554 1.00 0.00 C ATOM 0 HA PRO A 18 84.111 2.401 6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.721 0.503 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.878 0.243 5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.099 -0.849 5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.530 -1.633 6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.537 -0.604 7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.194 -0.786 8.303 1.00 0.00 H new ATOM 288 N LEU A 19 81.010 2.154 5.764 1.00 0.00 N ATOM 289 CA LEU A 19 79.932 2.828 4.983 1.00 0.00 C ATOM 290 C LEU A 19 79.526 4.134 5.672 1.00 0.00 C ATOM 291 O LEU A 19 78.821 4.950 5.111 1.00 0.00 O ATOM 292 CB LEU A 19 78.766 1.838 4.979 1.00 0.00 C ATOM 293 CG LEU A 19 78.894 0.901 3.777 1.00 0.00 C ATOM 294 CD1 LEU A 19 80.164 0.060 3.916 1.00 0.00 C ATOM 295 CD2 LEU A 19 77.676 -0.024 3.721 1.00 0.00 C ATOM 0 H LEU A 19 80.686 1.524 6.498 1.00 0.00 H new ATOM 0 HA LEU A 19 80.250 3.084 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.762 1.261 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.819 2.376 4.935 1.00 0.00 H new ATOM 0 HG LEU A 19 78.948 1.491 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 19 80.254 -0.607 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 19 81.033 0.717 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 19 80.111 -0.530 4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.766 -0.692 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.624 -0.613 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 19 76.770 0.573 3.621 1.00 0.00 H new ATOM 307 N LEU A 20 79.967 4.336 6.883 1.00 0.00 N ATOM 308 CA LEU A 20 79.608 5.588 7.610 1.00 0.00 C ATOM 309 C LEU A 20 80.876 6.321 8.060 1.00 0.00 C ATOM 310 O LEU A 20 80.923 6.896 9.130 1.00 0.00 O ATOM 311 CB LEU A 20 78.801 5.123 8.825 1.00 0.00 C ATOM 312 CG LEU A 20 77.623 4.266 8.360 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.344 3.174 9.395 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.382 5.150 8.206 1.00 0.00 C ATOM 0 H LEU A 20 80.561 3.688 7.401 1.00 0.00 H new ATOM 0 HA LEU A 20 79.044 6.281 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.437 4.550 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 20 78.438 5.985 9.385 1.00 0.00 H new ATOM 0 HG LEU A 20 77.865 3.805 7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.504 2.564 9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 78.227 2.545 9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 77.101 3.634 10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.541 4.541 7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.142 5.610 9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.579 5.929 7.469 1.00 0.00 H new ATOM 326 N ASP A 21 81.904 6.307 7.256 1.00 0.00 N ATOM 327 CA ASP A 21 83.163 7.005 7.650 1.00 0.00 C ATOM 328 C ASP A 21 84.093 7.162 6.442 1.00 0.00 C ATOM 329 O ASP A 21 84.536 8.249 6.127 1.00 0.00 O ATOM 330 CB ASP A 21 83.805 6.100 8.701 1.00 0.00 C ATOM 331 CG ASP A 21 83.935 6.864 10.020 1.00 0.00 C ATOM 332 OD1 ASP A 21 84.938 7.534 10.197 1.00 0.00 O ATOM 333 OD2 ASP A 21 83.029 6.765 10.831 1.00 0.00 O ATOM 0 H ASP A 21 81.928 5.845 6.347 1.00 0.00 H new ATOM 0 HA ASP A 21 82.971 8.008 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 21 83.200 5.205 8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 21 84.787 5.770 8.361 1.00 0.00 H new ATOM 338 N PHE A 22 84.399 6.085 5.771 1.00 0.00 N ATOM 339 CA PHE A 22 85.308 6.175 4.591 1.00 0.00 C ATOM 340 C PHE A 22 84.504 6.138 3.289 1.00 0.00 C ATOM 341 O PHE A 22 84.700 5.279 2.453 1.00 0.00 O ATOM 342 CB PHE A 22 86.215 4.949 4.697 1.00 0.00 C ATOM 343 CG PHE A 22 86.818 4.886 6.080 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.518 5.988 6.589 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.678 3.728 6.854 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.076 5.930 7.872 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.236 3.670 8.137 1.00 0.00 C ATOM 348 CZ PHE A 22 87.935 4.771 8.645 1.00 0.00 C ATOM 0 H PHE A 22 84.060 5.148 5.988 1.00 0.00 H new ATOM 0 HA PHE A 22 85.876 7.105 4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.644 4.043 4.496 1.00 0.00 H new ATOM 0 HB3 PHE A 22 87.004 5.001 3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 22 87.627 6.881 5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 22 86.139 2.878 6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 22 88.615 6.779 8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 22 87.127 2.777 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.366 4.727 9.634 1.00 0.00 H new ATOM 358 N ASN A 23 83.606 7.066 3.107 1.00 0.00 N ATOM 359 CA ASN A 23 82.797 7.086 1.855 1.00 0.00 C ATOM 360 C ASN A 23 82.816 8.487 1.238 1.00 0.00 C ATOM 361 O ASN A 23 82.481 9.462 1.879 1.00 0.00 O ATOM 362 CB ASN A 23 81.380 6.710 2.289 1.00 0.00 C ATOM 363 CG ASN A 23 80.710 5.892 1.183 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.284 5.687 0.131 1.00 0.00 O ATOM 365 ND2 ASN A 23 79.513 5.410 1.377 1.00 0.00 N ATOM 0 H ASN A 23 83.397 7.812 3.771 1.00 0.00 H new ATOM 0 HA ASN A 23 83.186 6.401 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.412 6.134 3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.800 7.610 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.059 4.862 0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 23 79.031 5.582 2.259 1.00 0.00 H new ATOM 372 N ASN A 24 83.206 8.593 -0.002 1.00 0.00 N ATOM 373 CA ASN A 24 83.248 9.932 -0.659 1.00 0.00 C ATOM 374 C ASN A 24 83.930 10.951 0.258 1.00 0.00 C ATOM 375 O ASN A 24 83.389 11.999 0.550 1.00 0.00 O ATOM 376 CB ASN A 24 81.784 10.308 -0.889 1.00 0.00 C ATOM 377 CG ASN A 24 81.709 11.543 -1.789 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.715 12.008 -2.288 1.00 0.00 O ATOM 379 ND2 ASN A 24 80.551 12.098 -2.019 1.00 0.00 N ATOM 0 H ASN A 24 83.497 7.812 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 24 83.814 9.917 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.252 9.476 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.295 10.509 0.064 1.00 0.00 H new ATOM 0 HD21 ASN A 24 80.490 12.922 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 24 79.706 11.708 -1.600 1.00 0.00 H new ATOM 386 N TYR A 25 85.117 10.653 0.710 1.00 0.00 N ATOM 387 CA TYR A 25 85.841 11.602 1.602 1.00 0.00 C ATOM 388 C TYR A 25 87.178 11.983 0.963 1.00 0.00 C ATOM 389 O TYR A 25 87.685 11.282 0.110 1.00 0.00 O ATOM 390 CB TYR A 25 86.059 10.831 2.904 1.00 0.00 C ATOM 391 CG TYR A 25 87.092 11.540 3.748 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.455 11.309 3.527 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.685 12.426 4.753 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.412 11.964 4.312 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.642 13.080 5.538 1.00 0.00 C ATOM 396 CZ TYR A 25 89.005 12.850 5.317 1.00 0.00 C ATOM 397 OH TYR A 25 89.948 13.495 6.090 1.00 0.00 O ATOM 0 H TYR A 25 85.618 9.790 0.499 1.00 0.00 H new ATOM 0 HA TYR A 25 85.291 12.527 1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.120 10.751 3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.388 9.815 2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.768 10.626 2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.633 12.605 4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.464 11.786 4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.329 13.762 6.314 1.00 0.00 H new ATOM 0 HH TYR A 25 90.766 13.627 5.566 1.00 0.00 H new ATOM 407 N GLY A 26 87.753 13.084 1.356 1.00 0.00 N ATOM 408 CA GLY A 26 89.053 13.487 0.748 1.00 0.00 C ATOM 409 C GLY A 26 88.963 13.337 -0.770 1.00 0.00 C ATOM 410 O GLY A 26 87.894 13.186 -1.326 1.00 0.00 O ATOM 0 H GLY A 26 87.384 13.718 2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.287 14.519 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 26 89.860 12.867 1.140 1.00 0.00 H new ATOM 414 N CYS A 27 90.074 13.378 -1.445 1.00 0.00 N ATOM 415 CA CYS A 27 90.043 13.239 -2.930 1.00 0.00 C ATOM 416 C CYS A 27 90.290 11.783 -3.339 1.00 0.00 C ATOM 417 O CYS A 27 90.030 11.396 -4.461 1.00 0.00 O ATOM 418 CB CYS A 27 91.171 14.138 -3.439 1.00 0.00 C ATOM 419 SG CYS A 27 90.589 15.077 -4.873 1.00 0.00 S ATOM 0 H CYS A 27 91.001 13.501 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 27 89.076 13.522 -3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.493 14.819 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.037 13.535 -3.712 1.00 0.00 H new ATOM 424 N TYR A 28 90.791 10.971 -2.446 1.00 0.00 N ATOM 425 CA TYR A 28 91.052 9.547 -2.804 1.00 0.00 C ATOM 426 C TYR A 28 89.996 8.629 -2.175 1.00 0.00 C ATOM 427 O TYR A 28 89.476 7.741 -2.820 1.00 0.00 O ATOM 428 CB TYR A 28 92.437 9.245 -2.235 1.00 0.00 C ATOM 429 CG TYR A 28 93.491 9.858 -3.127 1.00 0.00 C ATOM 430 CD1 TYR A 28 93.840 9.231 -4.330 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.117 11.052 -2.753 1.00 0.00 C ATOM 432 CE1 TYR A 28 94.816 9.800 -5.158 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.093 11.620 -3.581 1.00 0.00 C ATOM 434 CZ TYR A 28 95.442 10.994 -4.782 1.00 0.00 C ATOM 435 OH TYR A 28 96.404 11.554 -5.598 1.00 0.00 O ATOM 0 H TYR A 28 91.030 11.231 -1.489 1.00 0.00 H new ATOM 0 HA TYR A 28 91.006 9.380 -3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.522 9.645 -1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.586 8.168 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.357 8.309 -4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.847 11.536 -1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.085 9.318 -6.086 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.576 12.542 -3.292 1.00 0.00 H new ATOM 0 HH TYR A 28 96.737 12.381 -5.191 1.00 0.00 H new ATOM 445 N CYS A 29 89.679 8.829 -0.925 1.00 0.00 N ATOM 446 CA CYS A 29 88.659 7.955 -0.272 1.00 0.00 C ATOM 447 C CYS A 29 87.323 8.046 -1.015 1.00 0.00 C ATOM 448 O CYS A 29 86.451 8.809 -0.646 1.00 0.00 O ATOM 449 CB CYS A 29 88.512 8.495 1.151 1.00 0.00 C ATOM 450 SG CYS A 29 90.108 8.410 1.998 1.00 0.00 S ATOM 0 H CYS A 29 90.078 9.554 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 29 88.959 6.907 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.157 9.525 1.125 1.00 0.00 H new ATOM 0 HB3 CYS A 29 87.768 7.915 1.696 1.00 0.00 H new ATOM 455 N GLY A 30 87.149 7.275 -2.056 1.00 0.00 N ATOM 456 CA GLY A 30 85.862 7.326 -2.808 1.00 0.00 C ATOM 457 C GLY A 30 86.014 6.600 -4.147 1.00 0.00 C ATOM 458 O GLY A 30 86.633 5.557 -4.232 1.00 0.00 O ATOM 0 H GLY A 30 87.839 6.616 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.069 6.863 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.570 8.362 -2.977 1.00 0.00 H new ATOM 462 N LEU A 31 85.450 7.143 -5.190 1.00 0.00 N ATOM 463 CA LEU A 31 85.556 6.486 -6.525 1.00 0.00 C ATOM 464 C LEU A 31 86.986 6.599 -7.059 1.00 0.00 C ATOM 465 O LEU A 31 87.338 5.996 -8.053 1.00 0.00 O ATOM 466 CB LEU A 31 84.586 7.256 -7.422 1.00 0.00 C ATOM 467 CG LEU A 31 83.186 7.220 -6.809 1.00 0.00 C ATOM 468 CD1 LEU A 31 82.596 8.630 -6.793 1.00 0.00 C ATOM 469 CD2 LEU A 31 82.287 6.301 -7.641 1.00 0.00 C ATOM 0 H LEU A 31 84.920 8.014 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 31 85.317 5.423 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 31 84.919 8.288 -7.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 84.569 6.816 -8.419 1.00 0.00 H new ATOM 0 HG LEU A 31 83.249 6.842 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 31 81.598 8.602 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 31 83.234 9.285 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 31 82.535 9.010 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 31 81.289 6.275 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 31 82.226 6.678 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 31 82.705 5.294 -7.650 1.00 0.00 H new ATOM 481 N GLY A 32 87.813 7.366 -6.404 1.00 0.00 N ATOM 482 CA GLY A 32 89.220 7.517 -6.872 1.00 0.00 C ATOM 483 C GLY A 32 89.392 8.882 -7.538 1.00 0.00 C ATOM 484 O GLY A 32 89.409 8.996 -8.748 1.00 0.00 O ATOM 0 H GLY A 32 87.576 7.895 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 32 89.906 7.422 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 32 89.467 6.723 -7.577 1.00 0.00 H new ATOM 488 N GLY A 33 89.521 9.922 -6.758 1.00 0.00 N ATOM 489 CA GLY A 33 89.693 11.279 -7.348 1.00 0.00 C ATOM 490 C GLY A 33 91.121 11.431 -7.871 1.00 0.00 C ATOM 491 O GLY A 33 91.624 10.586 -8.584 1.00 0.00 O ATOM 0 H GLY A 33 89.515 9.889 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 33 88.980 11.428 -8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 33 89.486 12.042 -6.598 1.00 0.00 H new ATOM 495 N SER A 34 91.781 12.501 -7.522 1.00 0.00 N ATOM 496 CA SER A 34 93.180 12.703 -8.002 1.00 0.00 C ATOM 497 C SER A 34 93.670 14.107 -7.633 1.00 0.00 C ATOM 498 O SER A 34 92.996 15.090 -7.868 1.00 0.00 O ATOM 499 CB SER A 34 93.105 12.542 -9.519 1.00 0.00 C ATOM 500 OG SER A 34 94.130 13.320 -10.125 1.00 0.00 O ATOM 0 H SER A 34 91.414 13.243 -6.927 1.00 0.00 H new ATOM 0 HA SER A 34 93.877 11.996 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 34 93.220 11.493 -9.791 1.00 0.00 H new ATOM 0 HB3 SER A 34 92.128 12.860 -9.882 1.00 0.00 H new ATOM 0 HG SER A 34 94.086 13.218 -11.099 1.00 0.00 H new ATOM 506 N GLY A 35 94.836 14.207 -7.057 1.00 0.00 N ATOM 507 CA GLY A 35 95.367 15.545 -6.673 1.00 0.00 C ATOM 508 C GLY A 35 95.799 15.520 -5.206 1.00 0.00 C ATOM 509 O GLY A 35 95.560 14.564 -4.495 1.00 0.00 O ATOM 0 H GLY A 35 95.445 13.419 -6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 96.213 15.808 -7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 35 94.604 16.308 -6.826 1.00 0.00 H new ATOM 513 N THR A 36 96.435 16.562 -4.746 1.00 0.00 N ATOM 514 CA THR A 36 96.881 16.595 -3.323 1.00 0.00 C ATOM 515 C THR A 36 95.749 16.127 -2.403 1.00 0.00 C ATOM 516 O THR A 36 94.597 16.441 -2.627 1.00 0.00 O ATOM 517 CB THR A 36 97.223 18.060 -3.048 1.00 0.00 C ATOM 518 OG1 THR A 36 98.123 18.528 -4.044 1.00 0.00 O ATOM 519 CG2 THR A 36 97.874 18.184 -1.670 1.00 0.00 C ATOM 0 H THR A 36 96.665 17.392 -5.293 1.00 0.00 H new ATOM 0 HA THR A 36 97.731 15.937 -3.142 1.00 0.00 H new ATOM 0 HB THR A 36 96.312 18.658 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.343 19.467 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.117 19.228 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 36 97.183 17.824 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.786 17.588 -1.644 1.00 0.00 H new ATOM 527 N PRO A 37 96.120 15.388 -1.394 1.00 0.00 N ATOM 528 CA PRO A 37 95.127 14.869 -0.421 1.00 0.00 C ATOM 529 C PRO A 37 94.623 15.999 0.483 1.00 0.00 C ATOM 530 O PRO A 37 94.912 17.158 0.261 1.00 0.00 O ATOM 531 CB PRO A 37 95.918 13.840 0.382 1.00 0.00 C ATOM 532 CG PRO A 37 97.344 14.270 0.262 1.00 0.00 C ATOM 533 CD PRO A 37 97.487 14.970 -1.066 1.00 0.00 C ATOM 0 HA PRO A 37 94.243 14.444 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.598 13.821 1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.774 12.835 -0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.615 14.937 1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.011 13.410 0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.160 15.824 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.894 14.304 -1.827 1.00 0.00 H new ATOM 541 N VAL A 38 93.874 15.672 1.501 1.00 0.00 N ATOM 542 CA VAL A 38 93.356 16.732 2.416 1.00 0.00 C ATOM 543 C VAL A 38 93.862 16.501 3.843 1.00 0.00 C ATOM 544 O VAL A 38 94.058 17.432 4.598 1.00 0.00 O ATOM 545 CB VAL A 38 91.833 16.597 2.365 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.309 17.155 1.041 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.448 15.120 2.484 1.00 0.00 C ATOM 0 H VAL A 38 93.598 14.719 1.739 1.00 0.00 H new ATOM 0 HA VAL A 38 93.689 17.726 2.117 1.00 0.00 H new ATOM 0 HB VAL A 38 91.394 17.157 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.224 17.057 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.581 18.207 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.748 16.599 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.363 15.023 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.890 14.561 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.816 14.723 3.430 1.00 0.00 H new ATOM 557 N ASP A 39 94.073 15.269 4.219 1.00 0.00 N ATOM 558 CA ASP A 39 94.563 14.987 5.598 1.00 0.00 C ATOM 559 C ASP A 39 95.272 13.632 5.648 1.00 0.00 C ATOM 560 O ASP A 39 95.593 13.048 4.633 1.00 0.00 O ATOM 561 CB ASP A 39 93.306 14.966 6.467 1.00 0.00 C ATOM 562 CG ASP A 39 93.452 15.987 7.598 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.883 17.093 7.318 1.00 0.00 O ATOM 564 OD2 ASP A 39 93.130 15.644 8.723 1.00 0.00 O ATOM 0 H ASP A 39 93.928 14.447 3.632 1.00 0.00 H new ATOM 0 HA ASP A 39 95.284 15.731 5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.429 15.199 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 39 93.153 13.969 6.880 1.00 0.00 H new ATOM 569 N ASP A 40 95.522 13.133 6.826 1.00 0.00 N ATOM 570 CA ASP A 40 96.217 11.821 6.953 1.00 0.00 C ATOM 571 C ASP A 40 95.309 10.681 6.479 1.00 0.00 C ATOM 572 O ASP A 40 95.742 9.776 5.794 1.00 0.00 O ATOM 573 CB ASP A 40 96.522 11.679 8.444 1.00 0.00 C ATOM 574 CG ASP A 40 97.550 12.731 8.857 1.00 0.00 C ATOM 575 OD1 ASP A 40 97.452 13.848 8.376 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.418 12.405 9.650 1.00 0.00 O ATOM 0 H ASP A 40 95.274 13.578 7.710 1.00 0.00 H new ATOM 0 HA ASP A 40 97.119 11.775 6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 40 95.608 11.800 9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.904 10.680 8.654 1.00 0.00 H new ATOM 581 N LEU A 41 94.053 10.710 6.836 1.00 0.00 N ATOM 582 CA LEU A 41 93.139 9.619 6.396 1.00 0.00 C ATOM 583 C LEU A 41 93.060 9.587 4.867 1.00 0.00 C ATOM 584 O LEU A 41 93.269 8.564 4.246 1.00 0.00 O ATOM 585 CB LEU A 41 91.774 9.962 6.994 1.00 0.00 C ATOM 586 CG LEU A 41 90.859 8.741 6.898 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.571 7.522 7.483 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.575 8.999 7.685 1.00 0.00 C ATOM 0 H LEU A 41 93.624 11.436 7.409 1.00 0.00 H new ATOM 0 HA LEU A 41 93.485 8.639 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.886 10.266 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.332 10.804 6.462 1.00 0.00 H new ATOM 0 HG LEU A 41 90.615 8.556 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.918 6.652 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.488 7.333 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.816 7.710 8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 41 88.924 8.127 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.820 9.186 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.063 9.868 7.271 1.00 0.00 H new ATOM 600 N ASP A 42 92.770 10.703 4.255 1.00 0.00 N ATOM 601 CA ASP A 42 92.693 10.732 2.768 1.00 0.00 C ATOM 602 C ASP A 42 94.008 10.216 2.191 1.00 0.00 C ATOM 603 O ASP A 42 94.031 9.491 1.216 1.00 0.00 O ATOM 604 CB ASP A 42 92.481 12.202 2.408 1.00 0.00 C ATOM 605 CG ASP A 42 92.670 12.392 0.902 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.397 11.456 0.169 1.00 0.00 O ATOM 607 OD2 ASP A 42 93.083 13.470 0.508 1.00 0.00 O ATOM 0 H ASP A 42 92.584 11.592 4.719 1.00 0.00 H new ATOM 0 HA ASP A 42 91.893 10.108 2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 42 91.480 12.519 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.187 12.827 2.955 1.00 0.00 H new ATOM 612 N ARG A 43 95.103 10.576 2.800 1.00 0.00 N ATOM 613 CA ARG A 43 96.422 10.098 2.307 1.00 0.00 C ATOM 614 C ARG A 43 96.424 8.573 2.259 1.00 0.00 C ATOM 615 O ARG A 43 96.978 7.966 1.364 1.00 0.00 O ATOM 616 CB ARG A 43 97.427 10.600 3.339 1.00 0.00 C ATOM 617 CG ARG A 43 97.832 12.030 2.992 1.00 0.00 C ATOM 618 CD ARG A 43 99.322 12.072 2.660 1.00 0.00 C ATOM 619 NE ARG A 43 99.563 10.912 1.768 1.00 0.00 N ATOM 620 CZ ARG A 43 100.756 10.690 1.289 1.00 0.00 C ATOM 621 NH1 ARG A 43 101.688 11.598 1.411 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.020 9.563 0.687 1.00 0.00 N ATOM 0 H ARG A 43 95.140 11.182 3.620 1.00 0.00 H new ATOM 0 HA ARG A 43 96.655 10.456 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 43 96.990 10.565 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.305 9.954 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.249 12.388 2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 43 97.616 12.694 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.588 13.007 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 43 99.927 12.004 3.564 1.00 0.00 H new ATOM 0 HE ARG A 43 98.794 10.286 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 43 101.483 12.480 1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 43 102.621 11.425 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.293 8.854 0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 43 101.953 9.391 0.313 1.00 0.00 H new ATOM 636 N CYS A 44 95.799 7.951 3.219 1.00 0.00 N ATOM 637 CA CYS A 44 95.752 6.471 3.238 1.00 0.00 C ATOM 638 C CYS A 44 95.096 5.967 1.954 1.00 0.00 C ATOM 639 O CYS A 44 95.562 5.036 1.328 1.00 0.00 O ATOM 640 CB CYS A 44 94.896 6.116 4.454 1.00 0.00 C ATOM 641 SG CYS A 44 95.606 6.875 5.935 1.00 0.00 S ATOM 0 H CYS A 44 95.318 8.410 3.993 1.00 0.00 H new ATOM 0 HA CYS A 44 96.742 6.019 3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 44 93.874 6.466 4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 44 94.848 5.034 4.575 1.00 0.00 H new ATOM 646 N CYS A 45 94.021 6.590 1.555 1.00 0.00 N ATOM 647 CA CYS A 45 93.336 6.163 0.303 1.00 0.00 C ATOM 648 C CYS A 45 94.286 6.346 -0.879 1.00 0.00 C ATOM 649 O CYS A 45 94.463 5.462 -1.693 1.00 0.00 O ATOM 650 CB CYS A 45 92.128 7.090 0.173 1.00 0.00 C ATOM 651 SG CYS A 45 90.887 6.641 1.412 1.00 0.00 S ATOM 0 H CYS A 45 93.588 7.375 2.041 1.00 0.00 H new ATOM 0 HA CYS A 45 93.035 5.116 0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.435 8.127 0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.703 7.013 -0.828 1.00 0.00 H new ATOM 656 N GLN A 46 94.916 7.486 -0.965 1.00 0.00 N ATOM 657 CA GLN A 46 95.873 7.721 -2.080 1.00 0.00 C ATOM 658 C GLN A 46 96.891 6.584 -2.109 1.00 0.00 C ATOM 659 O GLN A 46 97.243 6.072 -3.152 1.00 0.00 O ATOM 660 CB GLN A 46 96.560 9.042 -1.741 1.00 0.00 C ATOM 661 CG GLN A 46 97.639 9.336 -2.783 1.00 0.00 C ATOM 662 CD GLN A 46 98.402 10.594 -2.387 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.147 11.178 -1.353 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.336 11.039 -3.176 1.00 0.00 N ATOM 0 H GLN A 46 94.809 8.262 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 46 95.388 7.760 -3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 46 95.829 9.850 -1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.004 8.989 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.324 8.492 -2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.184 9.468 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.548 10.547 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.856 11.880 -2.927 1.00 0.00 H new ATOM 673 N THR A 47 97.357 6.186 -0.958 1.00 0.00 N ATOM 674 CA THR A 47 98.347 5.081 -0.894 1.00 0.00 C ATOM 675 C THR A 47 97.702 3.773 -1.354 1.00 0.00 C ATOM 676 O THR A 47 98.343 2.929 -1.950 1.00 0.00 O ATOM 677 CB THR A 47 98.750 4.993 0.579 1.00 0.00 C ATOM 678 OG1 THR A 47 98.831 6.303 1.125 1.00 0.00 O ATOM 679 CG2 THR A 47 100.110 4.303 0.698 1.00 0.00 C ATOM 0 H THR A 47 97.092 6.582 -0.056 1.00 0.00 H new ATOM 0 HA THR A 47 99.207 5.257 -1.540 1.00 0.00 H new ATOM 0 HB THR A 47 98.004 4.416 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 47 97.943 6.586 1.429 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.396 4.241 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 47 100.046 3.299 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.858 4.877 0.152 1.00 0.00 H new ATOM 687 N HIS A 48 96.434 3.600 -1.091 1.00 0.00 N ATOM 688 CA HIS A 48 95.751 2.350 -1.524 1.00 0.00 C ATOM 689 C HIS A 48 95.702 2.301 -3.047 1.00 0.00 C ATOM 690 O HIS A 48 96.121 1.341 -3.663 1.00 0.00 O ATOM 691 CB HIS A 48 94.339 2.439 -0.945 1.00 0.00 C ATOM 692 CG HIS A 48 93.629 1.133 -1.168 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.249 1.049 -1.275 1.00 0.00 N ATOM 694 CD2 HIS A 48 94.094 -0.151 -1.310 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.936 -0.245 -1.473 1.00 0.00 C ATOM 696 NE2 HIS A 48 93.024 -1.019 -1.502 1.00 0.00 N ATOM 0 H HIS A 48 95.844 4.269 -0.596 1.00 0.00 H new ATOM 0 HA HIS A 48 96.266 1.452 -1.182 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.384 2.665 0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.789 3.251 -1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 48 95.133 -0.443 -1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.928 -0.613 -1.594 1.00 0.00 H new ATOM 0 HE2 HIS A 48 93.062 -2.029 -1.636 1.00 0.00 H new ATOM 704 N ASP A 49 95.206 3.338 -3.660 1.00 0.00 N ATOM 705 CA ASP A 49 95.143 3.361 -5.142 1.00 0.00 C ATOM 706 C ASP A 49 96.546 3.133 -5.703 1.00 0.00 C ATOM 707 O ASP A 49 96.736 2.435 -6.678 1.00 0.00 O ATOM 708 CB ASP A 49 94.639 4.760 -5.499 1.00 0.00 C ATOM 709 CG ASP A 49 93.109 4.776 -5.464 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.513 3.932 -6.112 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.560 5.632 -4.790 1.00 0.00 O ATOM 0 H ASP A 49 94.842 4.170 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 49 94.493 2.588 -5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.037 5.492 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 49 94.994 5.044 -6.490 1.00 0.00 H new ATOM 716 N ASN A 50 97.531 3.718 -5.077 1.00 0.00 N ATOM 717 CA ASN A 50 98.929 3.546 -5.544 1.00 0.00 C ATOM 718 C ASN A 50 99.329 2.071 -5.472 1.00 0.00 C ATOM 719 O ASN A 50 100.144 1.598 -6.239 1.00 0.00 O ATOM 720 CB ASN A 50 99.768 4.381 -4.575 1.00 0.00 C ATOM 721 CG ASN A 50 99.906 5.804 -5.117 1.00 0.00 C ATOM 722 OD1 ASN A 50 100.893 6.135 -5.744 1.00 0.00 O ATOM 723 ND2 ASN A 50 98.950 6.666 -4.902 1.00 0.00 N ATOM 0 H ASN A 50 97.422 4.312 -4.255 1.00 0.00 H new ATOM 0 HA ASN A 50 99.066 3.860 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.298 4.399 -3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.753 3.931 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 50 99.031 7.618 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 50 98.122 6.388 -4.376 1.00 0.00 H new ATOM 730 N CYS A 51 98.755 1.338 -4.556 1.00 0.00 N ATOM 731 CA CYS A 51 99.097 -0.107 -4.435 1.00 0.00 C ATOM 732 C CYS A 51 98.479 -0.889 -5.597 1.00 0.00 C ATOM 733 O CYS A 51 99.060 -1.828 -6.104 1.00 0.00 O ATOM 734 CB CYS A 51 98.485 -0.546 -3.105 1.00 0.00 C ATOM 735 SG CYS A 51 99.298 -2.060 -2.535 1.00 0.00 S ATOM 0 H CYS A 51 98.064 1.678 -3.887 1.00 0.00 H new ATOM 0 HA CYS A 51 100.172 -0.286 -4.466 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.600 0.243 -2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.415 -0.718 -3.224 1.00 0.00 H new ATOM 740 N TYR A 52 97.308 -0.504 -6.027 1.00 0.00 N ATOM 741 CA TYR A 52 96.657 -1.221 -7.160 1.00 0.00 C ATOM 742 C TYR A 52 97.452 -0.989 -8.446 1.00 0.00 C ATOM 743 O TYR A 52 97.444 -1.803 -9.347 1.00 0.00 O ATOM 744 CB TYR A 52 95.259 -0.612 -7.267 1.00 0.00 C ATOM 745 CG TYR A 52 94.304 -1.394 -6.398 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.340 -2.794 -6.401 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.384 -0.719 -5.587 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.458 -3.519 -5.591 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.501 -1.444 -4.778 1.00 0.00 C ATOM 750 CZ TYR A 52 92.538 -2.844 -4.780 1.00 0.00 C ATOM 751 OH TYR A 52 91.668 -3.559 -3.982 1.00 0.00 O ATOM 0 H TYR A 52 96.774 0.276 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 52 96.613 -2.299 -7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.280 0.432 -6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 52 94.922 -0.628 -8.303 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.048 -3.314 -7.028 1.00 0.00 H new ATOM 0 HD2 TYR A 52 93.355 0.361 -5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 52 93.487 -4.599 -5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.791 -0.924 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 52 92.173 -4.027 -3.285 1.00 0.00 H new ATOM 761 N LYS A 53 98.154 0.108 -8.529 1.00 0.00 N ATOM 762 CA LYS A 53 98.968 0.380 -9.749 1.00 0.00 C ATOM 763 C LYS A 53 100.186 -0.524 -9.708 1.00 0.00 C ATOM 764 O LYS A 53 100.483 -1.253 -10.634 1.00 0.00 O ATOM 765 CB LYS A 53 99.412 1.845 -9.655 1.00 0.00 C ATOM 766 CG LYS A 53 98.302 2.705 -9.057 1.00 0.00 C ATOM 767 CD LYS A 53 97.863 3.757 -10.079 1.00 0.00 C ATOM 768 CE LYS A 53 97.446 3.067 -11.380 1.00 0.00 C ATOM 769 NZ LYS A 53 98.295 3.686 -12.437 1.00 0.00 N ATOM 0 H LYS A 53 98.200 0.827 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 53 98.413 0.200 -10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.309 1.920 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.673 2.216 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.454 2.080 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.654 3.191 -8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.032 4.340 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.678 4.455 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 53 97.608 1.990 -11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 53 96.387 3.220 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 98.270 3.095 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 97.933 4.635 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 99.275 3.761 -12.096 1.00 0.00 H new ATOM 783 N GLN A 54 100.882 -0.480 -8.613 1.00 0.00 N ATOM 784 CA GLN A 54 102.084 -1.336 -8.454 1.00 0.00 C ATOM 785 C GLN A 54 101.711 -2.787 -8.745 1.00 0.00 C ATOM 786 O GLN A 54 102.468 -3.533 -9.333 1.00 0.00 O ATOM 787 CB GLN A 54 102.496 -1.177 -6.990 1.00 0.00 C ATOM 788 CG GLN A 54 103.460 0.004 -6.853 1.00 0.00 C ATOM 789 CD GLN A 54 104.807 -0.496 -6.326 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.098 -1.674 -6.391 1.00 0.00 O ATOM 791 NE2 GLN A 54 105.645 0.355 -5.804 1.00 0.00 N ATOM 0 H GLN A 54 100.669 0.117 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 54 102.891 -1.058 -9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.615 -1.014 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 54 102.972 -2.091 -6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.594 0.492 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 54 103.045 0.749 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 54 105.400 1.344 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 54 106.545 0.032 -5.450 1.00 0.00 H new ATOM 800 N ALA A 55 100.537 -3.183 -8.340 1.00 0.00 N ATOM 801 CA ALA A 55 100.091 -4.583 -8.590 1.00 0.00 C ATOM 802 C ALA A 55 99.889 -4.802 -10.091 1.00 0.00 C ATOM 803 O ALA A 55 100.103 -5.881 -10.605 1.00 0.00 O ATOM 804 CB ALA A 55 98.765 -4.718 -7.842 1.00 0.00 C ATOM 0 H ALA A 55 99.865 -2.596 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 55 100.820 -5.320 -8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.371 -5.725 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 55 98.926 -4.532 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.051 -3.993 -8.234 1.00 0.00 H new ATOM 810 N LYS A 56 99.484 -3.783 -10.799 1.00 0.00 N ATOM 811 CA LYS A 56 99.280 -3.933 -12.266 1.00 0.00 C ATOM 812 C LYS A 56 100.632 -4.126 -12.955 1.00 0.00 C ATOM 813 O LYS A 56 100.820 -5.042 -13.731 1.00 0.00 O ATOM 814 CB LYS A 56 98.627 -2.625 -12.716 1.00 0.00 C ATOM 815 CG LYS A 56 97.105 -2.744 -12.605 1.00 0.00 C ATOM 816 CD LYS A 56 96.484 -1.346 -12.566 1.00 0.00 C ATOM 817 CE LYS A 56 95.128 -1.368 -13.274 1.00 0.00 C ATOM 818 NZ LYS A 56 95.213 -0.291 -14.299 1.00 0.00 N ATOM 0 H LYS A 56 99.286 -2.855 -10.425 1.00 0.00 H new ATOM 0 HA LYS A 56 98.662 -4.796 -12.516 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.983 -1.799 -12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.910 -2.401 -13.744 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.711 -3.305 -13.453 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.838 -3.297 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.361 -1.020 -11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 56 97.147 -0.629 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 56 94.939 -2.338 -13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 56 94.314 -1.183 -12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.319 -0.243 -14.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 95.387 0.621 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 95.993 -0.497 -14.956 1.00 0.00 H new ATOM 832 N LYS A 57 101.576 -3.270 -12.673 1.00 0.00 N ATOM 833 CA LYS A 57 102.914 -3.399 -13.304 1.00 0.00 C ATOM 834 C LYS A 57 103.547 -4.741 -12.926 1.00 0.00 C ATOM 835 O LYS A 57 104.304 -5.318 -13.682 1.00 0.00 O ATOM 836 CB LYS A 57 103.734 -2.244 -12.730 1.00 0.00 C ATOM 837 CG LYS A 57 104.199 -1.333 -13.866 1.00 0.00 C ATOM 838 CD LYS A 57 105.248 -2.062 -14.709 1.00 0.00 C ATOM 839 CE LYS A 57 106.615 -1.957 -14.030 1.00 0.00 C ATOM 840 NZ LYS A 57 106.822 -0.499 -13.805 1.00 0.00 N ATOM 0 H LYS A 57 101.475 -2.485 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 57 102.863 -3.364 -14.392 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.134 -1.677 -12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.595 -2.631 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 57 103.351 -1.048 -14.488 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.619 -0.413 -13.460 1.00 0.00 H new ATOM 0 HD2 LYS A 57 104.970 -3.109 -14.829 1.00 0.00 H new ATOM 0 HD3 LYS A 57 105.292 -1.628 -15.708 1.00 0.00 H new ATOM 0 HE2 LYS A 57 106.632 -2.508 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 57 107.401 -2.375 -14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 107.834 -0.276 -13.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 106.290 0.041 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 106.486 -0.243 -12.854 1.00 0.00 H new ATOM 854 N LEU A 58 103.245 -5.237 -11.757 1.00 0.00 N ATOM 855 CA LEU A 58 103.829 -6.535 -11.322 1.00 0.00 C ATOM 856 C LEU A 58 103.728 -7.569 -12.445 1.00 0.00 C ATOM 857 O LEU A 58 102.654 -7.891 -12.910 1.00 0.00 O ATOM 858 CB LEU A 58 102.985 -6.965 -10.121 1.00 0.00 C ATOM 859 CG LEU A 58 103.765 -6.713 -8.830 1.00 0.00 C ATOM 860 CD1 LEU A 58 102.788 -6.504 -7.672 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.655 -7.922 -8.531 1.00 0.00 C ATOM 0 H LEU A 58 102.617 -4.797 -11.084 1.00 0.00 H new ATOM 0 HA LEU A 58 104.886 -6.446 -11.070 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.047 -6.410 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.729 -8.021 -10.203 1.00 0.00 H new ATOM 0 HG LEU A 58 104.383 -5.823 -8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.346 -6.325 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.151 -5.645 -7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.169 -7.393 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.212 -7.745 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.035 -8.811 -8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.353 -8.073 -9.355 1.00 0.00 H new ATOM 873 N ASP A 59 104.839 -8.097 -12.882 1.00 0.00 N ATOM 874 CA ASP A 59 104.797 -9.114 -13.971 1.00 0.00 C ATOM 875 C ASP A 59 103.782 -10.204 -13.623 1.00 0.00 C ATOM 876 O ASP A 59 102.864 -10.474 -14.371 1.00 0.00 O ATOM 877 CB ASP A 59 106.212 -9.693 -14.029 1.00 0.00 C ATOM 878 CG ASP A 59 106.203 -10.978 -14.861 1.00 0.00 C ATOM 879 OD1 ASP A 59 105.977 -10.884 -16.055 1.00 0.00 O ATOM 880 OD2 ASP A 59 106.423 -12.033 -14.288 1.00 0.00 O ATOM 0 H ASP A 59 105.770 -7.869 -12.534 1.00 0.00 H new ATOM 0 HA ASP A 59 104.496 -8.689 -14.928 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.896 -8.967 -14.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.573 -9.902 -13.022 1.00 0.00 H new ATOM 885 N SER A 60 103.938 -10.830 -12.488 1.00 0.00 N ATOM 886 CA SER A 60 102.983 -11.897 -12.087 1.00 0.00 C ATOM 887 C SER A 60 101.546 -11.434 -12.335 1.00 0.00 C ATOM 888 O SER A 60 100.698 -12.198 -12.753 1.00 0.00 O ATOM 889 CB SER A 60 103.227 -12.106 -10.594 1.00 0.00 C ATOM 890 OG SER A 60 103.854 -10.949 -10.054 1.00 0.00 O ATOM 0 H SER A 60 104.688 -10.647 -11.821 1.00 0.00 H new ATOM 0 HA SER A 60 103.126 -12.816 -12.655 1.00 0.00 H new ATOM 0 HB2 SER A 60 102.283 -12.295 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 60 103.856 -12.982 -10.436 1.00 0.00 H new ATOM 0 HG SER A 60 104.011 -11.079 -9.095 1.00 0.00 H new ATOM 896 N CYS A 61 101.268 -10.185 -12.081 1.00 0.00 N ATOM 897 CA CYS A 61 99.888 -9.663 -12.299 1.00 0.00 C ATOM 898 C CYS A 61 99.715 -9.223 -13.755 1.00 0.00 C ATOM 899 O CYS A 61 98.653 -9.354 -14.332 1.00 0.00 O ATOM 900 CB CYS A 61 99.770 -8.465 -11.357 1.00 0.00 C ATOM 901 SG CYS A 61 99.923 -9.029 -9.642 1.00 0.00 S ATOM 0 H CYS A 61 101.939 -9.501 -11.731 1.00 0.00 H new ATOM 0 HA CYS A 61 99.123 -10.414 -12.103 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.547 -7.734 -11.582 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.812 -7.967 -11.503 1.00 0.00 H new ATOM 906 N LYS A 62 100.751 -8.701 -14.355 1.00 0.00 N ATOM 907 CA LYS A 62 100.646 -8.252 -15.774 1.00 0.00 C ATOM 908 C LYS A 62 100.693 -9.458 -16.716 1.00 0.00 C ATOM 909 O LYS A 62 100.674 -9.317 -17.922 1.00 0.00 O ATOM 910 CB LYS A 62 101.861 -7.351 -15.995 1.00 0.00 C ATOM 911 CG LYS A 62 101.981 -7.012 -17.482 1.00 0.00 C ATOM 912 CD LYS A 62 103.057 -7.892 -18.122 1.00 0.00 C ATOM 913 CE LYS A 62 104.434 -7.481 -17.596 1.00 0.00 C ATOM 914 NZ LYS A 62 105.354 -8.566 -18.039 1.00 0.00 N ATOM 0 H LYS A 62 101.666 -8.566 -13.924 1.00 0.00 H new ATOM 0 HA LYS A 62 99.710 -7.730 -15.974 1.00 0.00 H new ATOM 0 HB2 LYS A 62 101.761 -6.437 -15.410 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.766 -7.852 -15.651 1.00 0.00 H new ATOM 0 HG2 LYS A 62 101.024 -7.169 -17.980 1.00 0.00 H new ATOM 0 HG3 LYS A 62 102.236 -5.960 -17.606 1.00 0.00 H new ATOM 0 HD2 LYS A 62 102.867 -8.941 -17.893 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.026 -7.791 -19.207 1.00 0.00 H new ATOM 0 HE2 LYS A 62 104.739 -6.515 -18.000 1.00 0.00 H new ATOM 0 HE3 LYS A 62 104.430 -7.386 -16.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 106.288 -8.163 -18.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 105.448 -9.272 -17.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 104.969 -9.022 -18.891 1.00 0.00 H new ATOM 928 N VAL A 63 100.755 -10.643 -16.174 1.00 0.00 N ATOM 929 CA VAL A 63 100.803 -11.856 -17.040 1.00 0.00 C ATOM 930 C VAL A 63 99.606 -12.763 -16.743 1.00 0.00 C ATOM 931 O VAL A 63 99.564 -13.907 -17.151 1.00 0.00 O ATOM 932 CB VAL A 63 102.110 -12.557 -16.670 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.018 -13.090 -15.240 1.00 0.00 C ATOM 934 CG2 VAL A 63 102.355 -13.721 -17.633 1.00 0.00 C ATOM 0 H VAL A 63 100.775 -10.824 -15.170 1.00 0.00 H new ATOM 0 HA VAL A 63 100.760 -11.608 -18.101 1.00 0.00 H new ATOM 0 HB VAL A 63 102.934 -11.847 -16.740 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.950 -13.590 -14.977 1.00 0.00 H new ATOM 0 HG12 VAL A 63 101.844 -12.261 -14.553 1.00 0.00 H new ATOM 0 HG13 VAL A 63 101.194 -13.799 -15.168 1.00 0.00 H new ATOM 0 HG21 VAL A 63 103.287 -14.221 -17.370 1.00 0.00 H new ATOM 0 HG22 VAL A 63 101.530 -14.430 -17.564 1.00 0.00 H new ATOM 0 HG23 VAL A 63 102.423 -13.342 -18.653 1.00 0.00 H new ATOM 944 N LEU A 64 98.632 -12.262 -16.032 1.00 0.00 N ATOM 945 CA LEU A 64 97.441 -13.096 -15.708 1.00 0.00 C ATOM 946 C LEU A 64 96.222 -12.618 -16.502 1.00 0.00 C ATOM 947 O LEU A 64 95.785 -13.265 -17.432 1.00 0.00 O ATOM 948 CB LEU A 64 97.219 -12.900 -14.206 1.00 0.00 C ATOM 949 CG LEU A 64 98.197 -13.783 -13.427 1.00 0.00 C ATOM 950 CD1 LEU A 64 98.371 -13.230 -12.010 1.00 0.00 C ATOM 951 CD2 LEU A 64 97.645 -15.209 -13.353 1.00 0.00 C ATOM 0 H LEU A 64 98.610 -11.312 -15.662 1.00 0.00 H new ATOM 0 HA LEU A 64 97.589 -14.145 -15.965 1.00 0.00 H new ATOM 0 HB2 LEU A 64 97.365 -11.853 -13.939 1.00 0.00 H new ATOM 0 HB3 LEU A 64 96.193 -13.155 -13.943 1.00 0.00 H new ATOM 0 HG LEU A 64 99.162 -13.790 -13.934 1.00 0.00 H new ATOM 0 HD11 LEU A 64 99.068 -13.860 -11.457 1.00 0.00 H new ATOM 0 HD12 LEU A 64 98.763 -12.214 -12.061 1.00 0.00 H new ATOM 0 HD13 LEU A 64 97.407 -13.222 -11.502 1.00 0.00 H new ATOM 0 HD21 LEU A 64 98.340 -15.840 -12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 64 96.680 -15.200 -12.846 1.00 0.00 H new ATOM 0 HD23 LEU A 64 97.522 -15.604 -14.361 1.00 0.00 H new ATOM 963 N VAL A 65 95.669 -11.492 -16.142 1.00 0.00 N ATOM 964 CA VAL A 65 94.485 -10.980 -16.872 1.00 0.00 C ATOM 965 C VAL A 65 94.388 -9.470 -16.721 1.00 0.00 C ATOM 966 O VAL A 65 93.338 -8.874 -16.861 1.00 0.00 O ATOM 967 CB VAL A 65 93.301 -11.657 -16.207 1.00 0.00 C ATOM 968 CG1 VAL A 65 91.999 -11.120 -16.802 1.00 0.00 C ATOM 969 CG2 VAL A 65 93.382 -13.170 -16.426 1.00 0.00 C ATOM 0 H VAL A 65 95.990 -10.906 -15.371 1.00 0.00 H new ATOM 0 HA VAL A 65 94.532 -11.189 -17.941 1.00 0.00 H new ATOM 0 HB VAL A 65 93.321 -11.447 -15.138 1.00 0.00 H new ATOM 0 HG11 VAL A 65 91.151 -11.608 -16.322 1.00 0.00 H new ATOM 0 HG12 VAL A 65 91.940 -10.044 -16.636 1.00 0.00 H new ATOM 0 HG13 VAL A 65 91.977 -11.324 -17.873 1.00 0.00 H new ATOM 0 HG21 VAL A 65 92.530 -13.653 -15.947 1.00 0.00 H new ATOM 0 HG22 VAL A 65 93.367 -13.384 -17.495 1.00 0.00 H new ATOM 0 HG23 VAL A 65 94.306 -13.551 -15.992 1.00 0.00 H new ATOM 979 N ASP A 66 95.487 -8.866 -16.437 1.00 0.00 N ATOM 980 CA ASP A 66 95.525 -7.384 -16.265 1.00 0.00 C ATOM 981 C ASP A 66 94.277 -6.901 -15.517 1.00 0.00 C ATOM 982 O ASP A 66 93.506 -6.111 -16.023 1.00 0.00 O ATOM 983 CB ASP A 66 95.552 -6.819 -17.685 1.00 0.00 C ATOM 984 CG ASP A 66 96.933 -7.054 -18.301 1.00 0.00 C ATOM 985 OD1 ASP A 66 97.896 -6.527 -17.767 1.00 0.00 O ATOM 986 OD2 ASP A 66 97.006 -7.757 -19.296 1.00 0.00 O ATOM 0 H ASP A 66 96.385 -9.334 -16.312 1.00 0.00 H new ATOM 0 HA ASP A 66 96.387 -7.061 -15.681 1.00 0.00 H new ATOM 0 HB2 ASP A 66 94.784 -7.298 -18.293 1.00 0.00 H new ATOM 0 HB3 ASP A 66 95.326 -5.753 -17.668 1.00 0.00 H new ATOM 991 N ASN A 67 94.076 -7.370 -14.316 1.00 0.00 N ATOM 992 CA ASN A 67 92.882 -6.939 -13.534 1.00 0.00 C ATOM 993 C ASN A 67 92.928 -7.547 -12.129 1.00 0.00 C ATOM 994 O ASN A 67 92.434 -8.635 -11.907 1.00 0.00 O ATOM 995 CB ASN A 67 91.679 -7.476 -14.312 1.00 0.00 C ATOM 996 CG ASN A 67 90.441 -6.643 -13.977 1.00 0.00 C ATOM 997 OD1 ASN A 67 90.471 -5.822 -13.082 1.00 0.00 O ATOM 998 ND2 ASN A 67 89.344 -6.819 -14.664 1.00 0.00 N ATOM 0 H ASN A 67 94.688 -8.034 -13.842 1.00 0.00 H new ATOM 0 HA ASN A 67 92.835 -5.857 -13.413 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.878 -7.436 -15.383 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.506 -8.522 -14.058 1.00 0.00 H new ATOM 0 HD21 ASN A 67 88.513 -6.267 -14.449 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.318 -7.508 -15.416 1.00 0.00 H new ATOM 1005 N PRO A 68 93.526 -6.819 -11.225 1.00 0.00 N ATOM 1006 CA PRO A 68 93.647 -7.291 -9.824 1.00 0.00 C ATOM 1007 C PRO A 68 92.300 -7.193 -9.102 1.00 0.00 C ATOM 1008 O PRO A 68 92.095 -7.794 -8.067 1.00 0.00 O ATOM 1009 CB PRO A 68 94.663 -6.332 -9.210 1.00 0.00 C ATOM 1010 CG PRO A 68 94.575 -5.088 -10.037 1.00 0.00 C ATOM 1011 CD PRO A 68 94.142 -5.501 -11.421 1.00 0.00 C ATOM 0 HA PRO A 68 93.952 -8.335 -9.751 1.00 0.00 H new ATOM 0 HB2 PRO A 68 94.431 -6.128 -8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 68 95.668 -6.753 -9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 68 93.861 -4.388 -9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 68 95.539 -4.580 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 68 93.434 -4.789 -11.846 1.00 0.00 H new ATOM 0 HD3 PRO A 68 94.989 -5.555 -12.104 1.00 0.00 H new ATOM 1019 N TYR A 69 91.380 -6.438 -9.639 1.00 0.00 N ATOM 1020 CA TYR A 69 90.049 -6.304 -8.979 1.00 0.00 C ATOM 1021 C TYR A 69 89.315 -7.647 -8.982 1.00 0.00 C ATOM 1022 O TYR A 69 88.957 -8.172 -7.947 1.00 0.00 O ATOM 1023 CB TYR A 69 89.290 -5.276 -9.818 1.00 0.00 C ATOM 1024 CG TYR A 69 89.341 -3.920 -9.124 1.00 0.00 C ATOM 1025 CD1 TYR A 69 88.477 -3.646 -8.057 1.00 0.00 C ATOM 1026 CD2 TYR A 69 90.255 -2.949 -9.552 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.526 -2.402 -7.418 1.00 0.00 C ATOM 1028 CE2 TYR A 69 90.304 -1.705 -8.914 1.00 0.00 C ATOM 1029 CZ TYR A 69 89.439 -1.430 -7.847 1.00 0.00 C ATOM 1030 OH TYR A 69 89.487 -0.204 -7.217 1.00 0.00 O ATOM 0 H TYR A 69 91.492 -5.909 -10.504 1.00 0.00 H new ATOM 0 HA TYR A 69 90.137 -5.995 -7.937 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.731 -5.205 -10.812 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.255 -5.591 -9.950 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.772 -4.395 -7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 69 90.922 -3.161 -10.375 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.860 -2.191 -6.594 1.00 0.00 H new ATOM 0 HE2 TYR A 69 91.009 -0.956 -9.244 1.00 0.00 H new ATOM 0 HH TYR A 69 90.176 0.353 -7.637 1.00 0.00 H new ATOM 1040 N THR A 70 89.087 -8.207 -10.138 1.00 0.00 N ATOM 1041 CA THR A 70 88.377 -9.511 -10.210 1.00 0.00 C ATOM 1042 C THR A 70 89.075 -10.539 -9.318 1.00 0.00 C ATOM 1043 O THR A 70 88.484 -11.509 -8.887 1.00 0.00 O ATOM 1044 CB THR A 70 88.463 -9.929 -11.678 1.00 0.00 C ATOM 1045 OG1 THR A 70 87.693 -11.105 -11.880 1.00 0.00 O ATOM 1046 CG2 THR A 70 89.922 -10.203 -12.046 1.00 0.00 C ATOM 0 H THR A 70 89.364 -7.815 -11.038 1.00 0.00 H new ATOM 0 HA THR A 70 87.345 -9.440 -9.867 1.00 0.00 H new ATOM 0 HB THR A 70 88.075 -9.128 -12.308 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.746 -11.373 -12.821 1.00 0.00 H new ATOM 0 HG21 THR A 70 89.983 -10.501 -13.093 1.00 0.00 H new ATOM 0 HG22 THR A 70 90.512 -9.300 -11.891 1.00 0.00 H new ATOM 0 HG23 THR A 70 90.312 -11.004 -11.417 1.00 0.00 H new ATOM 1054 N ASN A 71 90.332 -10.333 -9.043 1.00 0.00 N ATOM 1055 CA ASN A 71 91.077 -11.296 -8.182 1.00 0.00 C ATOM 1056 C ASN A 71 90.428 -11.381 -6.798 1.00 0.00 C ATOM 1057 O ASN A 71 90.785 -10.659 -5.889 1.00 0.00 O ATOM 1058 CB ASN A 71 92.490 -10.720 -8.078 1.00 0.00 C ATOM 1059 CG ASN A 71 93.398 -11.720 -7.360 1.00 0.00 C ATOM 1060 OD1 ASN A 71 94.090 -12.493 -7.993 1.00 0.00 O ATOM 1061 ND2 ASN A 71 93.426 -11.737 -6.056 1.00 0.00 N ATOM 0 H ASN A 71 90.878 -9.539 -9.377 1.00 0.00 H new ATOM 0 HA ASN A 71 91.077 -12.305 -8.594 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.881 -10.507 -9.073 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.470 -9.776 -7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 71 94.029 -12.399 -5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 71 92.845 -11.088 -5.525 1.00 0.00 H new ATOM 1068 N ASN A 72 89.478 -12.260 -6.630 1.00 0.00 N ATOM 1069 CA ASN A 72 88.809 -12.389 -5.302 1.00 0.00 C ATOM 1070 C ASN A 72 89.757 -13.040 -4.293 1.00 0.00 C ATOM 1071 O ASN A 72 89.687 -14.226 -4.037 1.00 0.00 O ATOM 1072 CB ASN A 72 87.597 -13.287 -5.553 1.00 0.00 C ATOM 1073 CG ASN A 72 86.797 -12.747 -6.740 1.00 0.00 C ATOM 1074 OD1 ASN A 72 86.953 -13.292 -7.915 1.00 0.00 O flip ATOM 1075 ND2 ASN A 72 86.025 -11.821 -6.597 1.00 0.00 N flip ATOM 0 H ASN A 72 89.136 -12.894 -7.352 1.00 0.00 H new ATOM 0 HA ASN A 72 88.522 -11.422 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 72 87.923 -14.307 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 72 86.968 -13.323 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 72 85.904 -11.395 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 72 85.498 -11.469 -7.396 1.00 0.00 H new ATOM 1082 N TYR A 73 90.642 -12.275 -3.715 1.00 0.00 N ATOM 1083 CA TYR A 73 91.591 -12.853 -2.720 1.00 0.00 C ATOM 1084 C TYR A 73 90.839 -13.238 -1.443 1.00 0.00 C ATOM 1085 O TYR A 73 89.750 -12.765 -1.188 1.00 0.00 O ATOM 1086 CB TYR A 73 92.601 -11.740 -2.439 1.00 0.00 C ATOM 1087 CG TYR A 73 91.910 -10.590 -1.746 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.623 -10.667 -0.378 1.00 0.00 C ATOM 1089 CD2 TYR A 73 91.560 -9.444 -2.470 1.00 0.00 C ATOM 1090 CE1 TYR A 73 90.985 -9.599 0.264 1.00 0.00 C ATOM 1091 CE2 TYR A 73 90.923 -8.376 -1.828 1.00 0.00 C ATOM 1092 CZ TYR A 73 90.635 -8.453 -0.460 1.00 0.00 C ATOM 1093 OH TYR A 73 90.008 -7.400 0.174 1.00 0.00 O ATOM 0 H TYR A 73 90.749 -11.276 -3.888 1.00 0.00 H new ATOM 0 HA TYR A 73 92.079 -13.756 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.411 -12.119 -1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 73 93.050 -11.399 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.894 -11.550 0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 73 91.782 -9.384 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.763 -9.659 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 73 90.654 -7.493 -2.388 1.00 0.00 H new ATOM 0 HH TYR A 73 90.288 -6.556 -0.238 1.00 0.00 H new ATOM 1103 N SER A 74 91.409 -14.096 -0.642 1.00 0.00 N ATOM 1104 CA SER A 74 90.721 -14.512 0.613 1.00 0.00 C ATOM 1105 C SER A 74 91.464 -13.970 1.837 1.00 0.00 C ATOM 1106 O SER A 74 92.601 -13.551 1.751 1.00 0.00 O ATOM 1107 CB SER A 74 90.760 -16.039 0.597 1.00 0.00 C ATOM 1108 OG SER A 74 89.431 -16.542 0.592 1.00 0.00 O ATOM 0 H SER A 74 92.320 -14.526 -0.802 1.00 0.00 H new ATOM 0 HA SER A 74 89.702 -14.128 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 74 91.298 -16.391 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.298 -16.410 1.469 1.00 0.00 H new ATOM 0 HG SER A 74 89.452 -17.522 0.580 1.00 0.00 H new ATOM 1114 N TYR A 75 90.827 -13.978 2.976 1.00 0.00 N ATOM 1115 CA TYR A 75 91.492 -13.467 4.209 1.00 0.00 C ATOM 1116 C TYR A 75 90.563 -13.633 5.415 1.00 0.00 C ATOM 1117 O TYR A 75 89.402 -13.961 5.276 1.00 0.00 O ATOM 1118 CB TYR A 75 91.757 -11.985 3.932 1.00 0.00 C ATOM 1119 CG TYR A 75 90.456 -11.199 4.053 1.00 0.00 C ATOM 1120 CD1 TYR A 75 90.048 -10.705 5.298 1.00 0.00 C ATOM 1121 CD2 TYR A 75 89.666 -10.973 2.918 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.854 -9.985 5.410 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.471 -10.253 3.030 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.065 -9.759 4.275 1.00 0.00 C ATOM 1125 OH TYR A 75 86.887 -9.049 4.384 1.00 0.00 O ATOM 0 H TYR A 75 89.874 -14.317 3.106 1.00 0.00 H new ATOM 0 HA TYR A 75 92.410 -14.007 4.439 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.493 -11.599 4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.177 -11.861 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 75 90.656 -10.880 6.173 1.00 0.00 H new ATOM 0 HD2 TYR A 75 89.979 -11.354 1.957 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.541 -9.604 6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 75 87.862 -10.079 2.155 1.00 0.00 H new ATOM 0 HH TYR A 75 86.920 -8.268 3.793 1.00 0.00 H new ATOM 1135 N SER A 76 91.066 -13.405 6.596 1.00 0.00 N ATOM 1136 CA SER A 76 90.214 -13.545 7.811 1.00 0.00 C ATOM 1137 C SER A 76 90.494 -12.391 8.776 1.00 0.00 C ATOM 1138 O SER A 76 91.288 -11.518 8.495 1.00 0.00 O ATOM 1139 CB SER A 76 90.626 -14.878 8.435 1.00 0.00 C ATOM 1140 OG SER A 76 89.465 -15.572 8.873 1.00 0.00 O ATOM 0 H SER A 76 92.031 -13.127 6.773 1.00 0.00 H new ATOM 0 HA SER A 76 89.149 -13.520 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.170 -15.480 7.708 1.00 0.00 H new ATOM 0 HB3 SER A 76 91.299 -14.707 9.275 1.00 0.00 H new ATOM 0 HG SER A 76 89.727 -16.428 9.272 1.00 0.00 H new ATOM 1146 N CYS A 77 89.852 -12.380 9.911 1.00 0.00 N ATOM 1147 CA CYS A 77 90.095 -11.278 10.886 1.00 0.00 C ATOM 1148 C CYS A 77 90.359 -11.849 12.273 1.00 0.00 C ATOM 1149 O CYS A 77 90.094 -13.002 12.552 1.00 0.00 O ATOM 1150 CB CYS A 77 88.815 -10.445 10.887 1.00 0.00 C ATOM 1151 SG CYS A 77 88.806 -9.300 12.291 1.00 0.00 S ATOM 0 H CYS A 77 89.173 -13.082 10.205 1.00 0.00 H new ATOM 0 HA CYS A 77 90.965 -10.680 10.615 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.736 -9.887 9.954 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.947 -11.102 10.940 1.00 0.00 H new ATOM 1156 N SER A 78 90.879 -11.037 13.138 1.00 0.00 N ATOM 1157 CA SER A 78 91.180 -11.489 14.531 1.00 0.00 C ATOM 1158 C SER A 78 92.098 -10.477 15.222 1.00 0.00 C ATOM 1159 O SER A 78 92.976 -9.903 14.609 1.00 0.00 O ATOM 1160 CB SER A 78 91.889 -12.839 14.382 1.00 0.00 C ATOM 1161 OG SER A 78 91.078 -13.867 14.940 1.00 0.00 O ATOM 0 H SER A 78 91.115 -10.064 12.944 1.00 0.00 H new ATOM 0 HA SER A 78 90.278 -11.575 15.136 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.083 -13.045 13.329 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.856 -12.811 14.885 1.00 0.00 H new ATOM 0 HG SER A 78 90.315 -14.039 14.349 1.00 0.00 H new ATOM 1167 N ASN A 79 91.901 -10.254 16.492 1.00 0.00 N ATOM 1168 CA ASN A 79 92.762 -9.278 17.222 1.00 0.00 C ATOM 1169 C ASN A 79 92.862 -7.971 16.431 1.00 0.00 C ATOM 1170 O ASN A 79 93.940 -7.475 16.167 1.00 0.00 O ATOM 1171 CB ASN A 79 94.130 -9.954 17.325 1.00 0.00 C ATOM 1172 CG ASN A 79 93.991 -11.289 18.060 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.104 -11.458 18.873 1.00 0.00 O ATOM 1174 ND2 ASN A 79 94.836 -12.250 17.806 1.00 0.00 N ATOM 0 H ASN A 79 91.181 -10.705 17.057 1.00 0.00 H new ATOM 0 HA ASN A 79 92.362 -9.025 18.204 1.00 0.00 H new ATOM 0 HB2 ASN A 79 94.542 -10.117 16.329 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.828 -9.306 17.856 1.00 0.00 H new ATOM 0 HD21 ASN A 79 94.752 -13.144 18.290 1.00 0.00 H new ATOM 0 HD22 ASN A 79 95.580 -12.107 17.123 1.00 0.00 H new ATOM 1181 N ASN A 80 91.746 -7.412 16.054 1.00 0.00 N ATOM 1182 CA ASN A 80 91.756 -6.148 15.284 1.00 0.00 C ATOM 1183 C ASN A 80 92.852 -6.198 14.231 1.00 0.00 C ATOM 1184 O ASN A 80 93.507 -5.218 13.935 1.00 0.00 O ATOM 1185 CB ASN A 80 92.014 -5.062 16.316 1.00 0.00 C ATOM 1186 CG ASN A 80 91.105 -5.268 17.502 1.00 0.00 C ATOM 1187 OD1 ASN A 80 91.561 -5.436 18.616 1.00 0.00 O ATOM 1188 ND2 ASN A 80 89.834 -5.264 17.316 1.00 0.00 N ATOM 0 H ASN A 80 90.818 -7.786 16.252 1.00 0.00 H new ATOM 0 HA ASN A 80 90.824 -5.966 14.749 1.00 0.00 H new ATOM 0 HB2 ASN A 80 93.056 -5.088 16.634 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.840 -4.080 15.877 1.00 0.00 H new ATOM 0 HD21 ASN A 80 89.203 -5.402 18.105 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.456 -5.123 16.379 1.00 0.00 H new ATOM 1195 N GLU A 81 93.038 -7.347 13.665 1.00 0.00 N ATOM 1196 CA GLU A 81 94.072 -7.513 12.618 1.00 0.00 C ATOM 1197 C GLU A 81 93.503 -8.283 11.430 1.00 0.00 C ATOM 1198 O GLU A 81 92.557 -9.032 11.554 1.00 0.00 O ATOM 1199 CB GLU A 81 95.197 -8.303 13.279 1.00 0.00 C ATOM 1200 CG GLU A 81 95.998 -7.369 14.181 1.00 0.00 C ATOM 1201 CD GLU A 81 97.486 -7.475 13.840 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.801 -7.556 12.664 1.00 0.00 O ATOM 1203 OE2 GLU A 81 98.285 -7.472 14.761 1.00 0.00 O ATOM 0 H GLU A 81 92.510 -8.192 13.886 1.00 0.00 H new ATOM 0 HA GLU A 81 94.423 -6.554 12.237 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.786 -9.128 13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.845 -8.741 12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.657 -6.342 14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.835 -7.629 15.227 1.00 0.00 H new ATOM 1210 N ILE A 82 94.076 -8.103 10.276 1.00 0.00 N ATOM 1211 CA ILE A 82 93.567 -8.820 9.074 1.00 0.00 C ATOM 1212 C ILE A 82 94.383 -10.088 8.816 1.00 0.00 C ATOM 1213 O ILE A 82 95.584 -10.119 9.001 1.00 0.00 O ATOM 1214 CB ILE A 82 93.729 -7.832 7.919 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.664 -6.738 8.036 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.553 -8.571 6.592 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.309 -5.368 7.812 1.00 0.00 C ATOM 0 H ILE A 82 94.875 -7.491 10.111 1.00 0.00 H new ATOM 0 HA ILE A 82 92.531 -9.136 9.198 1.00 0.00 H new ATOM 0 HB ILE A 82 94.721 -7.383 7.958 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.875 -6.904 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.197 -6.775 9.020 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.668 -7.869 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.306 -9.355 6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.559 -9.017 6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.550 -4.590 7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.082 -5.203 8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 82 93.755 -5.334 6.818 1.00 0.00 H new ATOM 1229 N THR A 83 93.735 -11.136 8.388 1.00 0.00 N ATOM 1230 CA THR A 83 94.459 -12.410 8.113 1.00 0.00 C ATOM 1231 C THR A 83 94.350 -12.765 6.625 1.00 0.00 C ATOM 1232 O THR A 83 93.464 -13.486 6.214 1.00 0.00 O ATOM 1233 CB THR A 83 93.745 -13.456 8.979 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.274 -13.414 10.297 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.950 -14.854 8.392 1.00 0.00 C ATOM 0 H THR A 83 92.730 -11.165 8.216 1.00 0.00 H new ATOM 0 HA THR A 83 95.523 -12.349 8.343 1.00 0.00 H new ATOM 0 HB THR A 83 92.678 -13.234 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.819 -14.080 10.854 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.439 -15.589 9.015 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.542 -14.888 7.382 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.015 -15.083 8.361 1.00 0.00 H new ATOM 1243 N CYS A 84 95.245 -12.268 5.815 1.00 0.00 N ATOM 1244 CA CYS A 84 95.185 -12.586 4.359 1.00 0.00 C ATOM 1245 C CYS A 84 95.627 -14.032 4.118 1.00 0.00 C ATOM 1246 O CYS A 84 96.698 -14.440 4.523 1.00 0.00 O ATOM 1247 CB CYS A 84 96.158 -11.610 3.697 1.00 0.00 C ATOM 1248 SG CYS A 84 95.286 -10.082 3.265 1.00 0.00 S ATOM 0 H CYS A 84 96.012 -11.658 6.097 1.00 0.00 H new ATOM 0 HA CYS A 84 94.177 -12.489 3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.985 -11.390 4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.588 -12.060 2.803 1.00 0.00 H new ATOM 1253 N SER A 85 94.811 -14.811 3.463 1.00 0.00 N ATOM 1254 CA SER A 85 95.187 -16.230 3.199 1.00 0.00 C ATOM 1255 C SER A 85 96.571 -16.295 2.546 1.00 0.00 C ATOM 1256 O SER A 85 96.884 -15.530 1.657 1.00 0.00 O ATOM 1257 CB SER A 85 94.116 -16.750 2.240 1.00 0.00 C ATOM 1258 OG SER A 85 94.440 -18.079 1.849 1.00 0.00 O ATOM 0 H SER A 85 93.901 -14.528 3.099 1.00 0.00 H new ATOM 0 HA SER A 85 95.238 -16.823 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 85 93.139 -16.729 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.053 -16.106 1.363 1.00 0.00 H new ATOM 0 HG SER A 85 93.754 -18.416 1.235 1.00 0.00 H new ATOM 1264 N SER A 86 97.401 -17.203 2.982 1.00 0.00 N ATOM 1265 CA SER A 86 98.764 -17.312 2.385 1.00 0.00 C ATOM 1266 C SER A 86 98.678 -17.903 0.976 1.00 0.00 C ATOM 1267 O SER A 86 99.584 -17.766 0.179 1.00 0.00 O ATOM 1268 CB SER A 86 99.534 -18.247 3.315 1.00 0.00 C ATOM 1269 OG SER A 86 99.241 -19.595 2.973 1.00 0.00 O ATOM 0 H SER A 86 97.196 -17.873 3.724 1.00 0.00 H new ATOM 0 HA SER A 86 99.252 -16.342 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 86 100.605 -18.063 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 86 99.259 -18.055 4.352 1.00 0.00 H new ATOM 0 HG SER A 86 99.735 -20.198 3.567 1.00 0.00 H new ATOM 1275 N GLU A 87 97.593 -18.554 0.659 1.00 0.00 N ATOM 1276 CA GLU A 87 97.452 -19.144 -0.701 1.00 0.00 C ATOM 1277 C GLU A 87 97.672 -18.057 -1.755 1.00 0.00 C ATOM 1278 O GLU A 87 98.088 -18.327 -2.865 1.00 0.00 O ATOM 1279 CB GLU A 87 96.017 -19.668 -0.758 1.00 0.00 C ATOM 1280 CG GLU A 87 95.966 -21.078 -0.163 1.00 0.00 C ATOM 1281 CD GLU A 87 94.547 -21.637 -0.295 1.00 0.00 C ATOM 1282 OE1 GLU A 87 94.265 -22.247 -1.313 1.00 0.00 O ATOM 1283 OE2 GLU A 87 93.769 -21.446 0.624 1.00 0.00 O ATOM 0 H GLU A 87 96.799 -18.703 1.282 1.00 0.00 H new ATOM 0 HA GLU A 87 98.177 -19.935 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 87 95.353 -19.004 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 87 95.665 -19.684 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 87 96.674 -21.727 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 87 96.262 -21.053 0.886 1.00 0.00 H new ATOM 1290 N ASN A 88 97.396 -16.830 -1.411 1.00 0.00 N ATOM 1291 CA ASN A 88 97.586 -15.720 -2.382 1.00 0.00 C ATOM 1292 C ASN A 88 99.028 -15.707 -2.895 1.00 0.00 C ATOM 1293 O ASN A 88 99.965 -15.560 -2.135 1.00 0.00 O ATOM 1294 CB ASN A 88 97.287 -14.445 -1.592 1.00 0.00 C ATOM 1295 CG ASN A 88 95.847 -14.486 -1.077 1.00 0.00 C ATOM 1296 OD1 ASN A 88 94.991 -15.105 -1.678 1.00 0.00 O ATOM 1297 ND2 ASN A 88 95.541 -13.848 0.020 1.00 0.00 N ATOM 0 H ASN A 88 97.046 -16.549 -0.495 1.00 0.00 H new ATOM 0 HA ASN A 88 96.939 -15.820 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 88 97.980 -14.352 -0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.433 -13.570 -2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 88 94.584 -13.869 0.372 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.259 -13.328 0.525 1.00 0.00 H new ATOM 1304 N ASN A 89 99.215 -15.856 -4.177 1.00 0.00 N ATOM 1305 CA ASN A 89 100.598 -15.850 -4.732 1.00 0.00 C ATOM 1306 C ASN A 89 101.160 -14.427 -4.735 1.00 0.00 C ATOM 1307 O ASN A 89 100.547 -13.505 -4.234 1.00 0.00 O ATOM 1308 CB ASN A 89 100.457 -16.370 -6.162 1.00 0.00 C ATOM 1309 CG ASN A 89 99.460 -15.497 -6.927 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.689 -14.772 -6.331 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.444 -15.535 -8.230 1.00 0.00 N ATOM 0 H ASN A 89 98.471 -15.982 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 89 101.280 -16.462 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.426 -16.358 -6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.117 -17.405 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.784 -14.956 -8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 89 100.092 -16.144 -8.730 1.00 0.00 H new ATOM 1318 N ALA A 90 102.323 -14.243 -5.294 1.00 0.00 N ATOM 1319 CA ALA A 90 102.928 -12.885 -5.329 1.00 0.00 C ATOM 1320 C ALA A 90 101.900 -11.857 -5.812 1.00 0.00 C ATOM 1321 O ALA A 90 101.866 -10.734 -5.350 1.00 0.00 O ATOM 1322 CB ALA A 90 104.085 -12.992 -6.322 1.00 0.00 C ATOM 0 H ALA A 90 102.881 -14.977 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 90 103.264 -12.559 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.584 -12.027 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.797 -13.740 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.700 -13.286 -7.299 1.00 0.00 H new ATOM 1328 N CYS A 91 101.064 -12.232 -6.743 1.00 0.00 N ATOM 1329 CA CYS A 91 100.040 -11.277 -7.259 1.00 0.00 C ATOM 1330 C CYS A 91 98.851 -11.198 -6.298 1.00 0.00 C ATOM 1331 O CYS A 91 98.475 -10.135 -5.848 1.00 0.00 O ATOM 1332 CB CYS A 91 99.604 -11.855 -8.606 1.00 0.00 C ATOM 1333 SG CYS A 91 98.667 -10.608 -9.526 1.00 0.00 S ATOM 0 H CYS A 91 101.046 -13.159 -7.169 1.00 0.00 H new ATOM 0 HA CYS A 91 100.433 -10.265 -7.356 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.477 -12.165 -9.180 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.992 -12.744 -8.451 1.00 0.00 H new ATOM 1338 N GLU A 92 98.254 -12.315 -5.980 1.00 0.00 N ATOM 1339 CA GLU A 92 97.088 -12.296 -5.049 1.00 0.00 C ATOM 1340 C GLU A 92 97.512 -11.757 -3.682 1.00 0.00 C ATOM 1341 O GLU A 92 96.776 -11.043 -3.030 1.00 0.00 O ATOM 1342 CB GLU A 92 96.643 -13.754 -4.940 1.00 0.00 C ATOM 1343 CG GLU A 92 96.096 -14.219 -6.291 1.00 0.00 C ATOM 1344 CD GLU A 92 95.820 -15.723 -6.242 1.00 0.00 C ATOM 1345 OE1 GLU A 92 95.507 -16.213 -5.169 1.00 0.00 O ATOM 1346 OE2 GLU A 92 95.926 -16.358 -7.278 1.00 0.00 O ATOM 0 H GLU A 92 98.522 -13.237 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 92 96.284 -11.653 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.483 -14.381 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 92 95.878 -13.856 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.180 -13.678 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.813 -13.996 -7.081 1.00 0.00 H new ATOM 1353 N ALA A 93 98.693 -12.092 -3.244 1.00 0.00 N ATOM 1354 CA ALA A 93 99.163 -11.595 -1.920 1.00 0.00 C ATOM 1355 C ALA A 93 99.394 -10.083 -1.979 1.00 0.00 C ATOM 1356 O ALA A 93 99.228 -9.381 -1.001 1.00 0.00 O ATOM 1357 CB ALA A 93 100.479 -12.331 -1.662 1.00 0.00 C ATOM 0 H ALA A 93 99.353 -12.688 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 93 98.436 -11.776 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 93 100.889 -12.018 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.298 -13.406 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.189 -12.095 -2.454 1.00 0.00 H new ATOM 1363 N PHE A 94 99.776 -9.576 -3.120 1.00 0.00 N ATOM 1364 CA PHE A 94 100.016 -8.109 -3.240 1.00 0.00 C ATOM 1365 C PHE A 94 98.696 -7.342 -3.116 1.00 0.00 C ATOM 1366 O PHE A 94 98.620 -6.322 -2.462 1.00 0.00 O ATOM 1367 CB PHE A 94 100.622 -7.917 -4.630 1.00 0.00 C ATOM 1368 CG PHE A 94 101.271 -6.556 -4.713 1.00 0.00 C ATOM 1369 CD1 PHE A 94 102.575 -6.372 -4.238 1.00 0.00 C ATOM 1370 CD2 PHE A 94 100.569 -5.477 -5.264 1.00 0.00 C ATOM 1371 CE1 PHE A 94 103.177 -5.110 -4.315 1.00 0.00 C ATOM 1372 CE2 PHE A 94 101.171 -4.215 -5.340 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.475 -4.032 -4.865 1.00 0.00 C ATOM 0 H PHE A 94 99.932 -10.113 -3.973 1.00 0.00 H new ATOM 0 HA PHE A 94 100.673 -7.734 -2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.359 -8.696 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 94 99.848 -8.010 -5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 94 103.117 -7.204 -3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 94 99.563 -5.618 -5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 94 104.183 -4.969 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 94 100.629 -3.383 -5.765 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.939 -3.059 -4.923 1.00 0.00 H new ATOM 1383 N ILE A 95 97.655 -7.825 -3.739 1.00 0.00 N ATOM 1384 CA ILE A 95 96.343 -7.121 -3.654 1.00 0.00 C ATOM 1385 C ILE A 95 95.812 -7.165 -2.218 1.00 0.00 C ATOM 1386 O ILE A 95 95.239 -6.211 -1.728 1.00 0.00 O ATOM 1387 CB ILE A 95 95.420 -7.892 -4.595 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.032 -7.920 -5.997 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.055 -7.203 -4.651 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.441 -6.503 -6.405 1.00 0.00 C ATOM 0 H ILE A 95 97.656 -8.675 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 95 96.418 -6.069 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 95 95.298 -8.911 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 95 96.900 -8.579 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.313 -8.322 -6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.397 -7.754 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.618 -7.180 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.177 -6.184 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.877 -6.524 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.563 -5.857 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 95 97.175 -6.118 -5.697 1.00 0.00 H new ATOM 1402 N CYS A 96 95.999 -8.263 -1.538 1.00 0.00 N ATOM 1403 CA CYS A 96 95.509 -8.365 -0.134 1.00 0.00 C ATOM 1404 C CYS A 96 96.220 -7.333 0.744 1.00 0.00 C ATOM 1405 O CYS A 96 95.650 -6.791 1.671 1.00 0.00 O ATOM 1406 CB CYS A 96 95.870 -9.782 0.310 1.00 0.00 C ATOM 1407 SG CYS A 96 94.577 -10.424 1.405 1.00 0.00 S ATOM 0 H CYS A 96 96.470 -9.094 -1.894 1.00 0.00 H new ATOM 0 HA CYS A 96 94.439 -8.173 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.979 -10.430 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 96 96.830 -9.779 0.827 1.00 0.00 H new ATOM 1412 N ASN A 97 97.464 -7.058 0.459 1.00 0.00 N ATOM 1413 CA ASN A 97 98.214 -6.064 1.275 1.00 0.00 C ATOM 1414 C ASN A 97 97.744 -4.644 0.944 1.00 0.00 C ATOM 1415 O ASN A 97 97.785 -3.758 1.774 1.00 0.00 O ATOM 1416 CB ASN A 97 99.680 -6.250 0.880 1.00 0.00 C ATOM 1417 CG ASN A 97 100.276 -7.419 1.658 1.00 0.00 C ATOM 1418 OD1 ASN A 97 99.607 -8.036 2.464 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.518 -7.751 1.447 1.00 0.00 N ATOM 0 H ASN A 97 97.993 -7.480 -0.305 1.00 0.00 H new ATOM 0 HA ASN A 97 98.059 -6.208 2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 97 99.758 -6.436 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.241 -5.339 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 97 101.932 -8.530 1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.077 -7.231 0.770 1.00 0.00 H new ATOM 1426 N CYS A 98 97.291 -4.422 -0.261 1.00 0.00 N ATOM 1427 CA CYS A 98 96.814 -3.060 -0.637 1.00 0.00 C ATOM 1428 C CYS A 98 95.553 -2.716 0.158 1.00 0.00 C ATOM 1429 O CYS A 98 95.447 -1.658 0.747 1.00 0.00 O ATOM 1430 CB CYS A 98 96.501 -3.144 -2.131 1.00 0.00 C ATOM 1431 SG CYS A 98 98.014 -3.534 -3.046 1.00 0.00 S ATOM 0 H CYS A 98 97.231 -5.123 -0.999 1.00 0.00 H new ATOM 0 HA CYS A 98 97.552 -2.287 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.746 -3.909 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.086 -2.198 -2.480 1.00 0.00 H new ATOM 1436 N ASP A 99 94.600 -3.605 0.184 1.00 0.00 N ATOM 1437 CA ASP A 99 93.348 -3.335 0.946 1.00 0.00 C ATOM 1438 C ASP A 99 93.651 -3.290 2.446 1.00 0.00 C ATOM 1439 O ASP A 99 93.135 -2.462 3.170 1.00 0.00 O ATOM 1440 CB ASP A 99 92.424 -4.509 0.622 1.00 0.00 C ATOM 1441 CG ASP A 99 92.067 -4.484 -0.866 1.00 0.00 C ATOM 1442 OD1 ASP A 99 92.907 -4.071 -1.649 1.00 0.00 O ATOM 1443 OD2 ASP A 99 90.962 -4.878 -1.196 1.00 0.00 O ATOM 0 H ASP A 99 94.633 -4.508 -0.290 1.00 0.00 H new ATOM 0 HA ASP A 99 92.897 -2.379 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 99 92.913 -5.450 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.518 -4.449 1.225 1.00 0.00 H new ATOM 1448 N ARG A 100 94.488 -4.176 2.914 1.00 0.00 N ATOM 1449 CA ARG A 100 94.829 -4.187 4.365 1.00 0.00 C ATOM 1450 C ARG A 100 95.624 -2.932 4.731 1.00 0.00 C ATOM 1451 O ARG A 100 95.326 -2.256 5.696 1.00 0.00 O ATOM 1452 CB ARG A 100 95.684 -5.439 4.559 1.00 0.00 C ATOM 1453 CG ARG A 100 95.694 -5.826 6.039 1.00 0.00 C ATOM 1454 CD ARG A 100 97.114 -6.212 6.455 1.00 0.00 C ATOM 1455 NE ARG A 100 97.197 -7.670 6.223 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.303 -8.313 6.478 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.153 -7.832 7.345 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.560 -9.437 5.866 1.00 0.00 N ATOM 0 H ARG A 100 94.950 -4.892 2.354 1.00 0.00 H new ATOM 0 HA ARG A 100 93.942 -4.196 4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.288 -6.259 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 100 96.701 -5.255 4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 100 95.339 -4.993 6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.013 -6.659 6.213 1.00 0.00 H new ATOM 0 HD2 ARG A 100 97.858 -5.676 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 100 97.299 -5.967 7.501 1.00 0.00 H new ATOM 0 HE ARG A 100 96.387 -8.174 5.863 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.952 -6.954 7.823 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.018 -8.335 7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.896 -9.812 5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.425 -9.940 6.065 1.00 0.00 H new ATOM 1472 N ASN A 101 96.632 -2.609 3.965 1.00 0.00 N ATOM 1473 CA ASN A 101 97.438 -1.394 4.272 1.00 0.00 C ATOM 1474 C ASN A 101 96.520 -0.175 4.359 1.00 0.00 C ATOM 1475 O ASN A 101 96.806 0.784 5.048 1.00 0.00 O ATOM 1476 CB ASN A 101 98.414 -1.255 3.104 1.00 0.00 C ATOM 1477 CG ASN A 101 99.699 -2.014 3.419 1.00 0.00 C ATOM 1478 OD1 ASN A 101 99.805 -2.660 4.443 1.00 0.00 O ATOM 1479 ND2 ASN A 101 100.687 -1.962 2.573 1.00 0.00 N ATOM 0 H ASN A 101 96.931 -3.133 3.142 1.00 0.00 H new ATOM 0 HA ASN A 101 97.963 -1.470 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 101 97.963 -1.645 2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 101 98.636 -0.203 2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.553 -2.464 2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 101 100.595 -1.419 1.714 1.00 0.00 H new ATOM 1486 N ALA A 102 95.415 -0.210 3.668 1.00 0.00 N ATOM 1487 CA ALA A 102 94.470 0.943 3.716 1.00 0.00 C ATOM 1488 C ALA A 102 93.670 0.903 5.019 1.00 0.00 C ATOM 1489 O ALA A 102 93.458 1.912 5.662 1.00 0.00 O ATOM 1490 CB ALA A 102 93.548 0.750 2.511 1.00 0.00 C ATOM 0 H ALA A 102 95.125 -0.986 3.072 1.00 0.00 H new ATOM 0 HA ALA A 102 94.982 1.905 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 102 92.821 1.561 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.140 0.753 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.025 -0.202 2.602 1.00 0.00 H new ATOM 1496 N ALA A 103 93.228 -0.259 5.414 1.00 0.00 N ATOM 1497 CA ALA A 103 92.444 -0.370 6.677 1.00 0.00 C ATOM 1498 C ALA A 103 93.344 -0.083 7.881 1.00 0.00 C ATOM 1499 O ALA A 103 92.909 0.453 8.881 1.00 0.00 O ATOM 1500 CB ALA A 103 91.949 -1.817 6.710 1.00 0.00 C ATOM 0 H ALA A 103 93.376 -1.137 4.917 1.00 0.00 H new ATOM 0 HA ALA A 103 91.620 0.343 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.361 -1.980 7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.330 -2.010 5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.803 -2.494 6.706 1.00 0.00 H new ATOM 1506 N ILE A 104 94.598 -0.433 7.792 1.00 0.00 N ATOM 1507 CA ILE A 104 95.524 -0.177 8.931 1.00 0.00 C ATOM 1508 C ILE A 104 95.778 1.327 9.071 1.00 0.00 C ATOM 1509 O ILE A 104 95.935 1.840 10.161 1.00 0.00 O ATOM 1510 CB ILE A 104 96.815 -0.908 8.565 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.545 -2.413 8.494 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.876 -0.633 9.630 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.671 -3.098 7.716 1.00 0.00 C ATOM 0 H ILE A 104 95.021 -0.885 6.981 1.00 0.00 H new ATOM 0 HA ILE A 104 95.118 -0.523 9.882 1.00 0.00 H new ATOM 0 HB ILE A 104 97.171 -0.555 7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.478 -2.829 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.587 -2.599 8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.797 -1.154 9.369 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.068 0.439 9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.520 -0.987 10.598 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.479 -4.170 7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.717 -2.690 6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.621 -2.923 8.221 1.00 0.00 H new ATOM 1525 N CYS A 105 95.816 2.038 7.976 1.00 0.00 N ATOM 1526 CA CYS A 105 96.055 3.508 8.051 1.00 0.00 C ATOM 1527 C CYS A 105 94.881 4.188 8.757 1.00 0.00 C ATOM 1528 O CYS A 105 95.062 5.005 9.637 1.00 0.00 O ATOM 1529 CB CYS A 105 96.152 3.974 6.598 1.00 0.00 C ATOM 1530 SG CYS A 105 97.018 5.562 6.534 1.00 0.00 S ATOM 0 H CYS A 105 95.692 1.665 7.035 1.00 0.00 H new ATOM 0 HA CYS A 105 96.956 3.754 8.613 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.684 3.233 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.155 4.073 6.169 1.00 0.00 H new ATOM 1535 N PHE A 106 93.677 3.845 8.386 1.00 0.00 N ATOM 1536 CA PHE A 106 92.494 4.457 9.040 1.00 0.00 C ATOM 1537 C PHE A 106 92.629 4.309 10.552 1.00 0.00 C ATOM 1538 O PHE A 106 92.362 5.220 11.311 1.00 0.00 O ATOM 1539 CB PHE A 106 91.297 3.650 8.534 1.00 0.00 C ATOM 1540 CG PHE A 106 91.341 3.544 7.024 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.120 4.435 6.275 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.598 2.550 6.376 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.154 4.331 4.878 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.633 2.447 4.980 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.410 3.338 4.231 1.00 0.00 C ATOM 0 H PHE A 106 93.465 3.165 7.656 1.00 0.00 H new ATOM 0 HA PHE A 106 92.388 5.518 8.815 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.307 2.654 8.977 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.368 4.128 8.846 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.694 5.202 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 106 89.998 1.862 6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.755 5.018 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.060 1.679 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.435 3.259 3.154 1.00 0.00 H new ATOM 1555 N SER A 107 93.046 3.154 10.985 1.00 0.00 N ATOM 1556 CA SER A 107 93.214 2.909 12.445 1.00 0.00 C ATOM 1557 C SER A 107 94.535 3.513 12.935 1.00 0.00 C ATOM 1558 O SER A 107 94.823 3.523 14.114 1.00 0.00 O ATOM 1559 CB SER A 107 93.235 1.389 12.589 1.00 0.00 C ATOM 1560 OG SER A 107 94.265 0.853 11.767 1.00 0.00 O ATOM 0 H SER A 107 93.280 2.362 10.386 1.00 0.00 H new ATOM 0 HA SER A 107 92.419 3.365 13.035 1.00 0.00 H new ATOM 0 HB2 SER A 107 93.404 1.113 13.630 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.270 0.972 12.301 1.00 0.00 H new ATOM 0 HG SER A 107 94.795 1.585 11.387 1.00 0.00 H new ATOM 1566 N LYS A 108 95.337 4.019 12.037 1.00 0.00 N ATOM 1567 CA LYS A 108 96.635 4.624 12.452 1.00 0.00 C ATOM 1568 C LYS A 108 96.504 6.147 12.505 1.00 0.00 C ATOM 1569 O LYS A 108 97.331 6.834 13.072 1.00 0.00 O ATOM 1570 CB LYS A 108 97.631 4.211 11.368 1.00 0.00 C ATOM 1571 CG LYS A 108 98.022 2.745 11.563 1.00 0.00 C ATOM 1572 CD LYS A 108 99.221 2.659 12.510 1.00 0.00 C ATOM 1573 CE LYS A 108 99.324 1.239 13.073 1.00 0.00 C ATOM 1574 NZ LYS A 108 98.499 1.255 14.314 1.00 0.00 N ATOM 0 H LYS A 108 95.149 4.039 11.035 1.00 0.00 H new ATOM 0 HA LYS A 108 96.951 4.292 13.441 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.190 4.352 10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.517 4.844 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.181 2.184 11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 108 98.270 2.293 10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 108 100.137 2.919 11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.109 3.377 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 108 98.950 0.504 12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.359 0.975 13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 98.521 0.315 14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 98.882 1.959 14.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 97.518 1.503 14.075 1.00 0.00 H new ATOM 1588 N VAL A 109 95.468 6.675 11.918 1.00 0.00 N ATOM 1589 CA VAL A 109 95.271 8.151 11.927 1.00 0.00 C ATOM 1590 C VAL A 109 93.861 8.486 12.418 1.00 0.00 C ATOM 1591 O VAL A 109 92.978 7.652 12.386 1.00 0.00 O ATOM 1592 CB VAL A 109 95.447 8.581 10.470 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.805 8.102 9.955 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.334 7.965 9.622 1.00 0.00 C ATOM 0 H VAL A 109 94.746 6.146 11.430 1.00 0.00 H new ATOM 0 HA VAL A 109 95.971 8.661 12.589 1.00 0.00 H new ATOM 0 HB VAL A 109 95.398 9.668 10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.929 8.409 8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.599 8.540 10.560 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.856 7.015 10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.457 8.270 8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.384 6.878 9.690 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.366 8.307 9.988 1.00 0.00 H new ATOM 1604 N PRO A 110 93.697 9.702 12.860 1.00 0.00 N ATOM 1605 CA PRO A 110 92.379 10.155 13.367 1.00 0.00 C ATOM 1606 C PRO A 110 91.394 10.345 12.211 1.00 0.00 C ATOM 1607 O PRO A 110 91.781 10.477 11.067 1.00 0.00 O ATOM 1608 CB PRO A 110 92.692 11.486 14.041 1.00 0.00 C ATOM 1609 CG PRO A 110 93.938 11.976 13.374 1.00 0.00 C ATOM 1610 CD PRO A 110 94.711 10.760 12.929 1.00 0.00 C ATOM 0 HA PRO A 110 91.913 9.439 14.044 1.00 0.00 H new ATOM 0 HB2 PRO A 110 91.873 12.194 13.915 1.00 0.00 H new ATOM 0 HB3 PRO A 110 92.842 11.359 15.113 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.695 12.611 12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.531 12.579 14.061 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.187 10.921 11.962 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.502 10.509 13.635 1.00 0.00 H new ATOM 1618 N TYR A 111 90.123 10.363 12.505 1.00 0.00 N ATOM 1619 CA TYR A 111 89.110 10.549 11.426 1.00 0.00 C ATOM 1620 C TYR A 111 88.467 11.934 11.549 1.00 0.00 C ATOM 1621 O TYR A 111 87.693 12.192 12.449 1.00 0.00 O ATOM 1622 CB TYR A 111 88.071 9.450 11.660 1.00 0.00 C ATOM 1623 CG TYR A 111 86.810 9.773 10.890 1.00 0.00 C ATOM 1624 CD1 TYR A 111 86.682 9.373 9.554 1.00 0.00 C ATOM 1625 CD2 TYR A 111 85.771 10.475 11.513 1.00 0.00 C ATOM 1626 CE1 TYR A 111 85.515 9.675 8.842 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.604 10.777 10.800 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.476 10.377 9.465 1.00 0.00 C ATOM 1629 OH TYR A 111 83.326 10.675 8.763 1.00 0.00 O ATOM 0 H TYR A 111 89.742 10.257 13.445 1.00 0.00 H new ATOM 0 HA TYR A 111 89.547 10.485 10.429 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.468 8.486 11.340 1.00 0.00 H new ATOM 0 HB3 TYR A 111 87.848 9.366 12.724 1.00 0.00 H new ATOM 0 HD1 TYR A 111 87.483 8.832 9.073 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.869 10.784 12.543 1.00 0.00 H new ATOM 0 HE1 TYR A 111 85.416 9.366 7.812 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.803 11.319 11.281 1.00 0.00 H new ATOM 0 HH TYR A 111 82.706 11.164 9.343 1.00 0.00 H new ATOM 1639 N ASN A 112 88.785 12.828 10.654 1.00 0.00 N ATOM 1640 CA ASN A 112 88.194 14.194 10.723 1.00 0.00 C ATOM 1641 C ASN A 112 86.974 14.291 9.803 1.00 0.00 C ATOM 1642 O ASN A 112 87.077 14.139 8.601 1.00 0.00 O ATOM 1643 CB ASN A 112 89.306 15.127 10.243 1.00 0.00 C ATOM 1644 CG ASN A 112 90.493 15.041 11.202 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.628 15.854 12.096 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.368 14.084 11.054 1.00 0.00 N ATOM 0 H ASN A 112 89.428 12.672 9.878 1.00 0.00 H new ATOM 0 HA ASN A 112 87.852 14.448 11.726 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.618 14.850 9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.939 16.152 10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.164 14.019 11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.255 13.402 10.304 1.00 0.00 H new ATOM 1653 N LYS A 113 85.820 14.545 10.357 1.00 0.00 N ATOM 1654 CA LYS A 113 84.595 14.654 9.513 1.00 0.00 C ATOM 1655 C LYS A 113 84.518 16.044 8.876 1.00 0.00 C ATOM 1656 O LYS A 113 83.668 16.314 8.051 1.00 0.00 O ATOM 1657 CB LYS A 113 83.429 14.435 10.478 1.00 0.00 C ATOM 1658 CG LYS A 113 83.349 15.606 11.460 1.00 0.00 C ATOM 1659 CD LYS A 113 82.138 16.477 11.118 1.00 0.00 C ATOM 1660 CE LYS A 113 82.312 17.861 11.747 1.00 0.00 C ATOM 1661 NZ LYS A 113 80.983 18.517 11.602 1.00 0.00 N ATOM 0 H LYS A 113 85.672 14.682 11.357 1.00 0.00 H new ATOM 0 HA LYS A 113 84.586 13.931 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.495 14.349 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.564 13.500 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 113 83.266 15.233 12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 113 84.262 16.199 11.411 1.00 0.00 H new ATOM 0 HD2 LYS A 113 82.035 16.567 10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 113 81.225 16.010 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 113 82.603 17.785 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 113 83.091 18.430 11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 81.021 19.473 12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 80.736 18.581 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 80.263 17.956 12.100 1.00 0.00 H new ATOM 1675 N GLU A 114 85.400 16.930 9.255 1.00 0.00 N ATOM 1676 CA GLU A 114 85.381 18.296 8.677 1.00 0.00 C ATOM 1677 C GLU A 114 85.876 18.259 7.231 1.00 0.00 C ATOM 1678 O GLU A 114 85.367 18.948 6.369 1.00 0.00 O ATOM 1679 CB GLU A 114 86.334 19.111 9.553 1.00 0.00 C ATOM 1680 CG GLU A 114 85.960 18.928 11.024 1.00 0.00 C ATOM 1681 CD GLU A 114 86.770 19.904 11.882 1.00 0.00 C ATOM 1682 OE1 GLU A 114 86.562 21.098 11.742 1.00 0.00 O ATOM 1683 OE2 GLU A 114 87.583 19.439 12.664 1.00 0.00 O ATOM 0 H GLU A 114 86.134 16.761 9.943 1.00 0.00 H new ATOM 0 HA GLU A 114 84.380 18.726 8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 114 87.362 18.790 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.281 20.166 9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 114 84.893 19.103 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 114 86.158 17.902 11.336 1.00 0.00 H new ATOM 1690 N HIS A 115 86.867 17.456 6.961 1.00 0.00 N ATOM 1691 CA HIS A 115 87.399 17.367 5.573 1.00 0.00 C ATOM 1692 C HIS A 115 86.515 16.442 4.733 1.00 0.00 C ATOM 1693 O HIS A 115 86.819 16.138 3.597 1.00 0.00 O ATOM 1694 CB HIS A 115 88.801 16.778 5.727 1.00 0.00 C ATOM 1695 CG HIS A 115 89.690 17.766 6.431 1.00 0.00 C ATOM 1696 ND1 HIS A 115 91.068 17.625 6.470 1.00 0.00 N ATOM 1697 CD2 HIS A 115 89.411 18.915 7.130 1.00 0.00 C ATOM 1698 CE1 HIS A 115 91.563 18.662 7.170 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.595 19.480 7.595 1.00 0.00 N ATOM 0 H HIS A 115 87.332 16.857 7.643 1.00 0.00 H new ATOM 0 HA HIS A 115 87.417 18.334 5.070 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.755 15.848 6.293 1.00 0.00 H new ATOM 0 HB3 HIS A 115 89.214 16.536 4.748 1.00 0.00 H new ATOM 0 HD2 HIS A 115 88.423 19.319 7.294 1.00 0.00 H new ATOM 0 HE1 HIS A 115 92.614 18.815 7.365 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.701 20.334 8.142 1.00 0.00 H new ATOM 1707 N LYS A 116 85.424 15.987 5.287 1.00 0.00 N ATOM 1708 CA LYS A 116 84.523 15.080 4.534 1.00 0.00 C ATOM 1709 C LYS A 116 83.818 15.836 3.404 1.00 0.00 C ATOM 1710 O LYS A 116 83.747 17.050 3.405 1.00 0.00 O ATOM 1711 CB LYS A 116 83.519 14.611 5.579 1.00 0.00 C ATOM 1712 CG LYS A 116 83.042 13.209 5.227 1.00 0.00 C ATOM 1713 CD LYS A 116 81.593 13.271 4.739 1.00 0.00 C ATOM 1714 CE LYS A 116 80.699 12.494 5.706 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.308 12.840 5.304 1.00 0.00 N ATOM 0 H LYS A 116 85.120 16.208 6.235 1.00 0.00 H new ATOM 0 HA LYS A 116 85.054 14.254 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.978 14.614 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.672 15.296 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 116 83.679 12.780 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.116 12.559 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.263 14.308 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 116 81.517 12.849 3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 116 80.876 11.421 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 116 80.894 12.779 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 78.634 12.344 5.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 79.167 13.867 5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 79.150 12.551 4.318 1.00 0.00 H new ATOM 1729 N ASN A 117 83.293 15.127 2.442 1.00 0.00 N ATOM 1730 CA ASN A 117 82.591 15.801 1.311 1.00 0.00 C ATOM 1731 C ASN A 117 83.381 17.030 0.853 1.00 0.00 C ATOM 1732 O ASN A 117 82.895 18.142 0.896 1.00 0.00 O ATOM 1733 CB ASN A 117 81.236 16.220 1.883 1.00 0.00 C ATOM 1734 CG ASN A 117 80.237 15.072 1.735 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.110 14.495 0.673 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.516 14.713 2.763 1.00 0.00 N ATOM 0 H ASN A 117 83.320 14.109 2.390 1.00 0.00 H new ATOM 0 HA ASN A 117 82.486 15.150 0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 117 81.342 16.490 2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.868 17.104 1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 117 78.847 13.949 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.622 15.197 3.655 1.00 0.00 H new ATOM 1743 N LEU A 118 84.597 16.840 0.415 1.00 0.00 N ATOM 1744 CA LEU A 118 85.412 17.972 -0.039 1.00 0.00 C ATOM 1745 C LEU A 118 85.024 18.347 -1.470 1.00 0.00 C ATOM 1746 O LEU A 118 84.302 17.636 -2.140 1.00 0.00 O ATOM 1747 CB LEU A 118 86.832 17.418 0.049 1.00 0.00 C ATOM 1748 CG LEU A 118 87.759 18.129 -0.924 1.00 0.00 C ATOM 1749 CD1 LEU A 118 88.095 19.525 -0.398 1.00 0.00 C ATOM 1750 CD2 LEU A 118 89.049 17.319 -1.073 1.00 0.00 C ATOM 0 H LEU A 118 85.055 15.930 0.357 1.00 0.00 H new ATOM 0 HA LEU A 118 85.288 18.884 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 118 87.208 17.534 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.823 16.350 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 118 87.265 18.221 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 118 88.759 20.028 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 118 87.177 20.103 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 118 88.588 19.440 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.718 17.824 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.537 17.230 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.813 16.325 -1.453 1.00 0.00 H new ATOM 1762 N ASP A 119 85.501 19.459 -1.930 1.00 0.00 N ATOM 1763 CA ASP A 119 85.176 19.908 -3.316 1.00 0.00 C ATOM 1764 C ASP A 119 86.290 19.507 -4.288 1.00 0.00 C ATOM 1765 O ASP A 119 87.428 19.903 -4.138 1.00 0.00 O ATOM 1766 CB ASP A 119 85.071 21.431 -3.222 1.00 0.00 C ATOM 1767 CG ASP A 119 84.301 21.967 -4.430 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.113 21.212 -5.370 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.914 23.123 -4.395 1.00 0.00 O ATOM 0 H ASP A 119 86.109 20.088 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 119 84.258 19.454 -3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.564 21.715 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 119 86.067 21.873 -3.187 1.00 0.00 H new ATOM 1774 N LYS A 120 85.971 18.729 -5.286 1.00 0.00 N ATOM 1775 CA LYS A 120 87.009 18.311 -6.266 1.00 0.00 C ATOM 1776 C LYS A 120 87.676 19.545 -6.881 1.00 0.00 C ATOM 1777 O LYS A 120 88.742 19.467 -7.459 1.00 0.00 O ATOM 1778 CB LYS A 120 86.252 17.523 -7.336 1.00 0.00 C ATOM 1779 CG LYS A 120 85.743 16.209 -6.741 1.00 0.00 C ATOM 1780 CD LYS A 120 85.204 15.318 -7.860 1.00 0.00 C ATOM 1781 CE LYS A 120 86.370 14.615 -8.559 1.00 0.00 C ATOM 1782 NZ LYS A 120 85.805 13.326 -9.047 1.00 0.00 N ATOM 0 H LYS A 120 85.035 18.365 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 120 87.798 17.716 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.415 18.112 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.906 17.321 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 120 86.549 15.700 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 120 84.959 16.408 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 120 84.513 14.581 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 120 84.643 15.917 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 120 86.755 15.215 -9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 120 87.199 14.448 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 86.546 12.786 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 85.452 12.774 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 85.022 13.517 -9.704 1.00 0.00 H new ATOM 1796 N LYS A 121 87.050 20.683 -6.760 1.00 0.00 N ATOM 1797 CA LYS A 121 87.630 21.931 -7.334 1.00 0.00 C ATOM 1798 C LYS A 121 88.880 22.346 -6.568 1.00 0.00 C ATOM 1799 O LYS A 121 89.627 23.209 -6.983 1.00 0.00 O ATOM 1800 CB LYS A 121 86.544 22.974 -7.153 1.00 0.00 C ATOM 1801 CG LYS A 121 85.861 23.226 -8.488 1.00 0.00 C ATOM 1802 CD LYS A 121 84.377 23.521 -8.257 1.00 0.00 C ATOM 1803 CE LYS A 121 83.550 22.905 -9.388 1.00 0.00 C ATOM 1804 NZ LYS A 121 83.976 23.634 -10.615 1.00 0.00 N ATOM 0 H LYS A 121 86.155 20.803 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 121 87.924 21.804 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.815 22.633 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 121 86.973 23.900 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.334 24.065 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 121 85.973 22.356 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 121 84.060 23.113 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 121 84.212 24.598 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 121 83.739 21.835 -9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 121 82.482 23.026 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 83.242 23.542 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 84.117 24.640 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.867 23.230 -10.967 1.00 0.00 H new ATOM 1818 N ASN A 122 89.116 21.715 -5.470 1.00 0.00 N ATOM 1819 CA ASN A 122 90.326 22.027 -4.668 1.00 0.00 C ATOM 1820 C ASN A 122 91.418 21.047 -5.061 1.00 0.00 C ATOM 1821 O ASN A 122 92.573 21.185 -4.709 1.00 0.00 O ATOM 1822 CB ASN A 122 89.907 21.800 -3.221 1.00 0.00 C ATOM 1823 CG ASN A 122 89.379 23.105 -2.624 1.00 0.00 C ATOM 1824 OD1 ASN A 122 88.153 23.157 -2.180 1.00 0.00 O flip ATOM 1825 ND2 ASN A 122 90.089 24.090 -2.564 1.00 0.00 N flip ATOM 0 H ASN A 122 88.519 20.985 -5.082 1.00 0.00 H new ATOM 0 HA ASN A 122 90.700 23.039 -4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 122 89.138 21.030 -3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.756 21.440 -2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 122 91.047 24.050 -2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 122 89.726 24.957 -2.167 1.00 0.00 H new ATOM 1832 N CYS A 123 91.030 20.048 -5.792 1.00 0.00 N ATOM 1833 CA CYS A 123 91.986 19.012 -6.242 1.00 0.00 C ATOM 1834 C CYS A 123 92.469 19.315 -7.663 1.00 0.00 C ATOM 1835 O CYS A 123 92.805 18.376 -8.367 1.00 0.00 O ATOM 1836 CB CYS A 123 91.160 17.732 -6.207 1.00 0.00 C ATOM 1837 SG CYS A 123 91.343 16.931 -4.594 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.494 20.481 -8.024 1.00 0.00 O ATOM 0 H CYS A 123 90.069 19.904 -6.103 1.00 0.00 H new ATOM 0 HA CYS A 123 92.882 18.952 -5.625 1.00 0.00 H new ATOM 0 HB2 CYS A 123 90.111 17.960 -6.394 1.00 0.00 H new ATOM 0 HB3 CYS A 123 91.485 17.056 -6.998 1.00 0.00 H new TER 1843 CYS A 123