USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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 18 GLN : amide:sc= -0.152 K(o=0.14,f=2) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0.289 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0159 (180deg=-0.333) USER MOD Single : A 2 GLN : amide:sc= -2.25 K(o=-2.2,f=-6.6!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0496 X(o=-0.05,f=-0.05) USER MOD Single : A 5 TYR OH : rot -26:sc= -5.35! USER MOD Single : A 11 THR OG1 : rot -89:sc= -1.26 USER MOD Single : A 23 ASN : amide:sc= -3.25 K(o=-3.2,f=-11!) USER MOD Single : A 26 TYR OH : rot -163:sc= 0.324 USER MOD Single : A 32 ASN : amide:sc= 0.459 X(o=0.46,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 90:sc= -0.553 USER MOD Single : A 38 GLN : amide:sc= -2.73 K(o=-2.7,f=-4!) USER MOD Single : A 41 TYR OH : rot -167:sc= -0.121 USER MOD Single : A 47 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-3.5!) USER MOD Single : A 49 ASN : amide:sc= -2.34! C(o=-2.3!,f=-7.4!) USER MOD Single : A 54 THR OG1 : rot -48:sc= 0.921 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.613 K(o=-0.61,f=-0.055) USER MOD Single : A 69 HIS : no HE2:sc= -0.176 K(o=-0.18,f=-2.7!) USER MOD Single : A 70 HIS : no HD1:sc= -2.04 X(o=-2,f=-2.1) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -150:sc= -0.573 (180deg=-1.58!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.316 -9.128 -12.543 1.00 0.00 N ATOM 2 CA MET A 1 -7.288 -8.135 -12.016 1.00 0.00 C ATOM 3 C MET A 1 -6.609 -7.143 -11.075 1.00 0.00 C ATOM 4 O MET A 1 -7.014 -6.986 -9.923 1.00 0.00 O ATOM 5 CB MET A 1 -8.401 -8.885 -11.282 1.00 0.00 C ATOM 6 CG MET A 1 -8.970 -10.053 -12.070 1.00 0.00 C ATOM 7 SD MET A 1 -10.597 -10.562 -11.481 1.00 0.00 S ATOM 8 CE MET A 1 -11.225 -11.421 -12.923 1.00 0.00 C ATOM 0 H1 MET A 1 -6.725 -9.610 -13.369 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.441 -8.642 -12.824 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.101 -9.829 -11.805 1.00 0.00 H new ATOM 0 HA MET A 1 -7.704 -7.565 -12.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.014 -9.253 -10.332 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.206 -8.188 -11.050 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.039 -9.777 -13.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.284 -10.898 -12.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.227 -11.796 -12.715 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.263 -10.734 -13.768 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.568 -12.256 -13.164 1.00 0.00 H new ATOM 20 N GLN A 2 -5.573 -6.477 -11.575 1.00 0.00 N ATOM 21 CA GLN A 2 -4.838 -5.500 -10.779 1.00 0.00 C ATOM 22 C GLN A 2 -4.330 -4.356 -11.651 1.00 0.00 C ATOM 23 O GLN A 2 -4.169 -4.510 -12.862 1.00 0.00 O ATOM 24 CB GLN A 2 -3.662 -6.173 -10.068 1.00 0.00 C ATOM 25 CG GLN A 2 -4.051 -7.430 -9.307 1.00 0.00 C ATOM 26 CD GLN A 2 -2.871 -8.077 -8.609 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.909 -8.333 -7.405 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.812 -8.346 -9.365 1.00 0.00 N ATOM 0 H GLN A 2 -5.224 -6.596 -12.526 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.520 -5.090 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.899 -6.425 -10.804 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.213 -5.462 -9.374 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.814 -7.182 -8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.497 -8.145 -9.998 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.823 -8.117 -10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.988 -8.782 -8.951 1.00 0.00 H new ATOM 37 N HIS A 3 -4.080 -3.210 -11.027 1.00 0.00 N ATOM 38 CA HIS A 3 -3.592 -2.039 -11.746 1.00 0.00 C ATOM 39 C HIS A 3 -2.417 -1.398 -11.007 1.00 0.00 C ATOM 40 O HIS A 3 -2.613 -0.646 -10.055 1.00 0.00 O ATOM 41 CB HIS A 3 -4.717 -1.016 -11.920 1.00 0.00 C ATOM 42 CG HIS A 3 -6.002 -1.617 -12.403 1.00 0.00 C ATOM 43 ND1 HIS A 3 -7.037 -1.959 -11.557 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.417 -1.938 -13.651 1.00 0.00 C ATOM 45 CE1 HIS A 3 -8.032 -2.464 -12.265 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.681 -2.461 -13.536 1.00 0.00 N ATOM 0 H HIS A 3 -4.207 -3.067 -10.025 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.249 -2.363 -12.729 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.894 -0.517 -10.967 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.395 -0.250 -12.626 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.858 -1.807 -14.566 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.972 -2.819 -11.870 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.256 -2.794 -14.310 1.00 0.00 H new ATOM 55 N PRO A 4 -1.175 -1.691 -11.437 1.00 0.00 N ATOM 56 CA PRO A 4 0.037 -1.140 -10.811 1.00 0.00 C ATOM 57 C PRO A 4 -0.004 0.381 -10.693 1.00 0.00 C ATOM 58 O PRO A 4 -0.812 1.041 -11.345 1.00 0.00 O ATOM 59 CB PRO A 4 1.152 -1.564 -11.770 1.00 0.00 C ATOM 60 CG PRO A 4 0.632 -2.790 -12.433 1.00 0.00 C ATOM 61 CD PRO A 4 -0.851 -2.585 -12.566 1.00 0.00 C ATOM 0 HA PRO A 4 0.165 -1.501 -9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.368 -0.781 -12.497 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.080 -1.766 -11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.096 -2.934 -13.409 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.853 -3.678 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.110 -2.133 -13.524 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.394 -3.528 -12.501 1.00 0.00 H new ATOM 69 N TYR A 5 0.888 0.931 -9.872 1.00 0.00 N ATOM 70 CA TYR A 5 0.963 2.377 -9.689 1.00 0.00 C ATOM 71 C TYR A 5 2.394 2.821 -9.448 1.00 0.00 C ATOM 72 O TYR A 5 2.837 3.828 -9.999 1.00 0.00 O ATOM 73 CB TYR A 5 0.073 2.841 -8.534 1.00 0.00 C ATOM 74 CG TYR A 5 -1.362 3.063 -8.951 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.205 1.988 -9.180 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.864 4.345 -9.136 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.514 2.181 -9.581 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.170 4.547 -9.538 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.991 3.463 -9.759 1.00 0.00 C ATOM 80 OH TYR A 5 -5.292 3.659 -10.160 1.00 0.00 O ATOM 0 H TYR A 5 1.566 0.399 -9.326 1.00 0.00 H new ATOM 0 HA TYR A 5 0.602 2.838 -10.608 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.104 2.098 -7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.474 3.767 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.834 0.983 -9.043 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.223 5.197 -8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.160 1.333 -9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.546 5.550 -9.678 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.602 2.875 -10.659 1.00 0.00 H new ATOM 90 N VAL A 6 3.125 2.063 -8.633 1.00 0.00 N ATOM 91 CA VAL A 6 4.509 2.398 -8.346 1.00 0.00 C ATOM 92 C VAL A 6 4.620 3.772 -7.688 1.00 0.00 C ATOM 93 O VAL A 6 4.063 4.754 -8.176 1.00 0.00 O ATOM 94 CB VAL A 6 5.345 2.388 -9.633 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.827 2.517 -9.317 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.065 1.126 -10.428 1.00 0.00 C ATOM 0 H VAL A 6 2.783 1.223 -8.167 1.00 0.00 H new ATOM 0 HA VAL A 6 4.891 1.644 -7.657 1.00 0.00 H new ATOM 0 HB VAL A 6 5.060 3.248 -10.240 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.399 2.507 -10.245 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.006 3.454 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.139 1.682 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.663 1.130 -11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.323 0.253 -9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.007 1.087 -10.689 1.00 0.00 H new ATOM 106 N GLY A 7 5.338 3.830 -6.576 1.00 0.00 N ATOM 107 CA GLY A 7 5.504 5.083 -5.865 1.00 0.00 C ATOM 108 C GLY A 7 5.882 4.874 -4.416 1.00 0.00 C ATOM 109 O GLY A 7 5.460 3.900 -3.797 1.00 0.00 O ATOM 0 H GLY A 7 5.810 3.031 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.273 5.678 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.577 5.654 -5.918 1.00 0.00 H new ATOM 113 N ILE A 8 6.671 5.790 -3.863 1.00 0.00 N ATOM 114 CA ILE A 8 7.078 5.681 -2.470 1.00 0.00 C ATOM 115 C ILE A 8 6.152 6.500 -1.593 1.00 0.00 C ATOM 116 O ILE A 8 6.306 7.709 -1.448 1.00 0.00 O ATOM 117 CB ILE A 8 8.543 6.113 -2.265 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.456 5.153 -3.040 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.893 6.143 -0.776 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.547 4.501 -2.213 1.00 0.00 C ATOM 0 H ILE A 8 7.037 6.606 -4.353 1.00 0.00 H new ATOM 0 HA ILE A 8 7.008 4.632 -2.182 1.00 0.00 H new ATOM 0 HB ILE A 8 8.688 7.123 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.841 4.371 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.920 5.700 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.931 6.450 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.242 6.851 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.756 5.149 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.139 3.841 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.191 5.271 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.096 3.921 -1.408 1.00 0.00 H new ATOM 132 N TRP A 9 5.179 5.816 -1.022 1.00 0.00 N ATOM 133 CA TRP A 9 4.190 6.448 -0.165 1.00 0.00 C ATOM 134 C TRP A 9 4.663 6.468 1.284 1.00 0.00 C ATOM 135 O TRP A 9 4.709 5.435 1.952 1.00 0.00 O ATOM 136 CB TRP A 9 2.851 5.717 -0.304 1.00 0.00 C ATOM 137 CG TRP A 9 2.434 5.536 -1.742 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.980 4.679 -2.657 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.391 6.240 -2.431 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.342 4.804 -3.869 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.362 5.755 -3.755 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.478 7.231 -2.058 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.457 6.228 -4.701 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.418 7.699 -3.000 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.424 7.198 -4.307 1.00 0.00 C ATOM 0 H TRP A 9 5.051 4.811 -1.137 1.00 0.00 H new ATOM 0 HA TRP A 9 4.055 7.484 -0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.923 4.740 0.175 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.080 6.276 0.226 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.796 4.001 -2.457 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.562 4.276 -4.713 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.473 7.624 -1.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.450 5.843 -5.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.127 8.465 -2.723 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.138 7.585 -5.019 1.00 0.00 H new ATOM 156 N VAL A 10 5.034 7.657 1.750 1.00 0.00 N ATOM 157 CA VAL A 10 5.529 7.831 3.111 1.00 0.00 C ATOM 158 C VAL A 10 4.590 8.699 3.940 1.00 0.00 C ATOM 159 O VAL A 10 3.830 9.505 3.403 1.00 0.00 O ATOM 160 CB VAL A 10 6.940 8.463 3.104 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.409 8.798 4.514 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.933 7.536 2.422 1.00 0.00 C ATOM 0 H VAL A 10 5.001 8.517 1.202 1.00 0.00 H new ATOM 0 HA VAL A 10 5.578 6.841 3.565 1.00 0.00 H new ATOM 0 HB VAL A 10 6.883 9.395 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.404 9.240 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.717 9.506 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.442 7.888 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.921 7.996 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.972 6.587 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.619 7.359 1.393 1.00 0.00 H new ATOM 172 N THR A 11 4.650 8.523 5.254 1.00 0.00 N ATOM 173 CA THR A 11 3.812 9.282 6.172 1.00 0.00 C ATOM 174 C THR A 11 4.167 10.768 6.142 1.00 0.00 C ATOM 175 O THR A 11 5.065 11.185 5.414 1.00 0.00 O ATOM 176 CB THR A 11 3.958 8.730 7.589 1.00 0.00 C ATOM 177 OG1 THR A 11 5.235 8.143 7.769 1.00 0.00 O ATOM 178 CG2 THR A 11 2.920 7.682 7.924 1.00 0.00 C ATOM 0 H THR A 11 5.274 7.857 5.709 1.00 0.00 H new ATOM 0 HA THR A 11 2.775 9.179 5.853 1.00 0.00 H new ATOM 0 HB THR A 11 3.821 9.584 8.252 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.199 7.197 7.514 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.076 7.328 8.943 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.924 8.116 7.839 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.011 6.845 7.232 1.00 0.00 H new ATOM 186 N ALA A 12 3.452 11.559 6.936 1.00 0.00 N ATOM 187 CA ALA A 12 3.686 12.999 6.997 1.00 0.00 C ATOM 188 C ALA A 12 4.886 13.335 7.880 1.00 0.00 C ATOM 189 O ALA A 12 5.454 14.422 7.779 1.00 0.00 O ATOM 190 CB ALA A 12 2.441 13.718 7.499 1.00 0.00 C ATOM 0 H ALA A 12 2.705 11.228 7.547 1.00 0.00 H new ATOM 0 HA ALA A 12 3.910 13.342 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.631 14.790 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.610 13.522 6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.189 13.357 8.496 1.00 0.00 H new ATOM 196 N ASP A 13 5.268 12.402 8.748 1.00 0.00 N ATOM 197 CA ASP A 13 6.399 12.616 9.643 1.00 0.00 C ATOM 198 C ASP A 13 7.632 11.866 9.151 1.00 0.00 C ATOM 199 O ASP A 13 8.764 12.279 9.410 1.00 0.00 O ATOM 200 CB ASP A 13 6.044 12.170 11.063 1.00 0.00 C ATOM 201 CG ASP A 13 6.487 13.172 12.110 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.604 13.716 11.977 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.718 13.413 13.065 1.00 0.00 O ATOM 0 H ASP A 13 4.813 11.495 8.850 1.00 0.00 H new ATOM 0 HA ASP A 13 6.627 13.682 9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.966 12.024 11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.511 11.206 11.266 1.00 0.00 H new ATOM 208 N GLY A 14 7.408 10.761 8.449 1.00 0.00 N ATOM 209 CA GLY A 14 8.515 9.974 7.941 1.00 0.00 C ATOM 210 C GLY A 14 8.885 8.844 8.879 1.00 0.00 C ATOM 211 O GLY A 14 10.028 8.383 8.886 1.00 0.00 O ATOM 0 H GLY A 14 6.482 10.397 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.251 9.564 6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.381 10.620 7.792 1.00 0.00 H new ATOM 215 N ARG A 15 7.917 8.389 9.667 1.00 0.00 N ATOM 216 CA ARG A 15 8.154 7.296 10.607 1.00 0.00 C ATOM 217 C ARG A 15 8.139 5.963 9.871 1.00 0.00 C ATOM 218 O ARG A 15 8.840 5.025 10.251 1.00 0.00 O ATOM 219 CB ARG A 15 7.119 7.276 11.750 1.00 0.00 C ATOM 220 CG ARG A 15 5.985 8.284 11.607 1.00 0.00 C ATOM 221 CD ARG A 15 4.989 7.857 10.540 1.00 0.00 C ATOM 222 NE ARG A 15 3.760 7.323 11.120 1.00 0.00 N ATOM 223 CZ ARG A 15 2.781 8.079 11.609 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.883 9.402 11.593 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.695 7.511 12.117 1.00 0.00 N ATOM 0 H ARG A 15 6.966 8.757 9.675 1.00 0.00 H new ATOM 0 HA ARG A 15 9.134 7.459 11.055 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.690 6.276 11.815 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.635 7.463 12.691 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.472 8.393 12.562 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.396 9.261 11.352 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.749 8.710 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.445 7.102 9.900 1.00 0.00 H new ATOM 0 HE ARG A 15 3.645 6.310 11.152 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.716 9.845 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.129 9.976 11.970 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.611 6.495 12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.944 8.091 12.492 1.00 0.00 H new ATOM 239 N ILE A 16 7.347 5.893 8.806 1.00 0.00 N ATOM 240 CA ILE A 16 7.256 4.676 8.006 1.00 0.00 C ATOM 241 C ILE A 16 7.213 5.016 6.521 1.00 0.00 C ATOM 242 O ILE A 16 6.815 6.116 6.140 1.00 0.00 O ATOM 243 CB ILE A 16 6.031 3.803 8.399 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.847 4.004 7.440 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.604 4.097 9.827 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.762 2.940 6.368 1.00 0.00 C ATOM 0 H ILE A 16 6.761 6.661 8.478 1.00 0.00 H new ATOM 0 HA ILE A 16 8.150 4.088 8.212 1.00 0.00 H new ATOM 0 HB ILE A 16 6.341 2.761 8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.920 4.008 8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.933 4.982 6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.745 3.477 10.085 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.428 3.877 10.506 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.332 5.149 9.916 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.905 3.140 5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.674 2.951 5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.645 1.962 6.835 1.00 0.00 H new ATOM 258 N ARG A 17 7.627 4.071 5.693 1.00 0.00 N ATOM 259 CA ARG A 17 7.640 4.281 4.252 1.00 0.00 C ATOM 260 C ARG A 17 7.098 3.056 3.520 1.00 0.00 C ATOM 261 O ARG A 17 7.408 1.920 3.881 1.00 0.00 O ATOM 262 CB ARG A 17 9.069 4.619 3.793 1.00 0.00 C ATOM 263 CG ARG A 17 9.533 3.891 2.539 1.00 0.00 C ATOM 264 CD ARG A 17 11.028 4.054 2.336 1.00 0.00 C ATOM 265 NE ARG A 17 11.798 3.141 3.176 1.00 0.00 N ATOM 266 CZ ARG A 17 13.071 2.824 2.953 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.721 3.342 1.918 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.698 1.985 3.767 1.00 0.00 N ATOM 0 H ARG A 17 7.958 3.153 5.991 1.00 0.00 H new ATOM 0 HA ARG A 17 6.988 5.120 4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.133 5.693 3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.759 4.388 4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.287 2.832 2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.000 4.279 1.671 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.273 3.877 1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.314 5.081 2.561 1.00 0.00 H new ATOM 0 HE ARG A 17 11.333 2.722 3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.245 3.987 1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.697 3.095 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.204 1.583 4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.674 1.742 3.596 1.00 0.00 H new ATOM 282 N GLN A 18 6.295 3.296 2.490 1.00 0.00 N ATOM 283 CA GLN A 18 5.714 2.217 1.702 1.00 0.00 C ATOM 284 C GLN A 18 6.028 2.403 0.223 1.00 0.00 C ATOM 285 O GLN A 18 5.540 3.339 -0.411 1.00 0.00 O ATOM 286 CB GLN A 18 4.201 2.154 1.920 1.00 0.00 C ATOM 287 CG GLN A 18 3.566 0.873 1.407 1.00 0.00 C ATOM 288 CD GLN A 18 2.116 1.059 1.007 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.234 0.335 1.468 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.861 2.037 0.143 1.00 0.00 N ATOM 0 H GLN A 18 6.031 4.232 2.181 1.00 0.00 H new ATOM 0 HA GLN A 18 6.154 1.276 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.991 2.252 2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.735 3.005 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.132 0.510 0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.630 0.106 2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.623 2.614 -0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.903 2.211 -0.163 1.00 0.00 H new ATOM 299 N GLU A 19 6.853 1.513 -0.323 1.00 0.00 N ATOM 300 CA GLU A 19 7.233 1.598 -1.727 1.00 0.00 C ATOM 301 C GLU A 19 6.331 0.748 -2.601 1.00 0.00 C ATOM 302 O GLU A 19 6.180 -0.453 -2.380 1.00 0.00 O ATOM 303 CB GLU A 19 8.680 1.146 -1.931 1.00 0.00 C ATOM 304 CG GLU A 19 9.131 1.173 -3.383 1.00 0.00 C ATOM 305 CD GLU A 19 10.596 0.819 -3.546 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.449 1.572 -3.029 1.00 0.00 O ATOM 307 OE2 GLU A 19 10.891 -0.212 -4.185 1.00 0.00 O ATOM 0 H GLU A 19 7.268 0.730 0.183 1.00 0.00 H new ATOM 0 HA GLU A 19 7.130 2.644 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.338 1.787 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.793 0.133 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.526 0.474 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.953 2.166 -3.796 1.00 0.00 H new ATOM 314 N LEU A 20 5.777 1.370 -3.626 1.00 0.00 N ATOM 315 CA LEU A 20 4.942 0.656 -4.569 1.00 0.00 C ATOM 316 C LEU A 20 5.833 0.180 -5.704 1.00 0.00 C ATOM 317 O LEU A 20 6.446 0.978 -6.413 1.00 0.00 O ATOM 318 CB LEU A 20 3.782 1.529 -5.063 1.00 0.00 C ATOM 319 CG LEU A 20 2.657 1.749 -4.043 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.373 2.162 -4.738 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.421 0.505 -3.202 1.00 0.00 C ATOM 0 H LEU A 20 5.891 2.364 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 20 4.475 -0.204 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.178 2.500 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.358 1.072 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 20 2.970 2.554 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.589 2.312 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.538 3.090 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.068 1.380 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.618 0.694 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.142 -0.325 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.333 0.253 -2.662 1.00 0.00 H new ATOM 333 N LEU A 21 5.965 -1.129 -5.804 1.00 0.00 N ATOM 334 CA LEU A 21 6.849 -1.749 -6.775 1.00 0.00 C ATOM 335 C LEU A 21 6.412 -1.560 -8.219 1.00 0.00 C ATOM 336 O LEU A 21 5.238 -1.339 -8.511 1.00 0.00 O ATOM 337 CB LEU A 21 6.987 -3.234 -6.452 1.00 0.00 C ATOM 338 CG LEU A 21 8.267 -3.632 -5.694 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.025 -2.406 -5.180 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.927 -4.554 -4.538 1.00 0.00 C ATOM 0 H LEU A 21 5.463 -1.793 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 21 7.812 -1.245 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.125 -3.541 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.949 -3.796 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 21 8.916 -4.156 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.922 -2.728 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.308 -1.774 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.386 -1.842 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.841 -4.828 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.251 -4.043 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.445 -5.454 -4.920 1.00 0.00 H new ATOM 352 N PRO A 22 7.391 -1.660 -9.144 1.00 0.00 N ATOM 353 CA PRO A 22 7.162 -1.509 -10.585 1.00 0.00 C ATOM 354 C PRO A 22 6.253 -2.592 -11.148 1.00 0.00 C ATOM 355 O PRO A 22 5.706 -2.446 -12.240 1.00 0.00 O ATOM 356 CB PRO A 22 8.569 -1.624 -11.195 1.00 0.00 C ATOM 357 CG PRO A 22 9.507 -1.395 -10.059 1.00 0.00 C ATOM 358 CD PRO A 22 8.809 -1.935 -8.848 1.00 0.00 C ATOM 0 HA PRO A 22 6.661 -0.568 -10.813 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.725 -2.605 -11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.718 -0.886 -11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.456 -1.905 -10.225 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.731 -0.335 -9.943 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.996 -3.000 -8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.137 -1.437 -7.936 1.00 0.00 H new ATOM 366 N ASN A 23 6.089 -3.678 -10.398 1.00 0.00 N ATOM 367 CA ASN A 23 5.238 -4.772 -10.835 1.00 0.00 C ATOM 368 C ASN A 23 3.845 -4.652 -10.228 1.00 0.00 C ATOM 369 O ASN A 23 3.128 -5.645 -10.092 1.00 0.00 O ATOM 370 CB ASN A 23 5.868 -6.113 -10.461 1.00 0.00 C ATOM 371 CG ASN A 23 5.985 -6.309 -8.962 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.664 -5.415 -8.181 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.448 -7.486 -8.557 1.00 0.00 N ATOM 0 H ASN A 23 6.533 -3.821 -9.491 1.00 0.00 H new ATOM 0 HA ASN A 23 5.142 -4.719 -11.919 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.270 -6.921 -10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.859 -6.182 -10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.550 -7.678 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.702 -8.198 -9.242 1.00 0.00 H new ATOM 380 N GLY A 24 3.469 -3.431 -9.859 1.00 0.00 N ATOM 381 CA GLY A 24 2.166 -3.204 -9.266 1.00 0.00 C ATOM 382 C GLY A 24 2.046 -3.851 -7.906 1.00 0.00 C ATOM 383 O GLY A 24 1.131 -4.637 -7.661 1.00 0.00 O ATOM 0 H GLY A 24 4.045 -2.595 -9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.990 -2.132 -9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.393 -3.599 -9.925 1.00 0.00 H new ATOM 387 N ARG A 25 2.980 -3.527 -7.021 1.00 0.00 N ATOM 388 CA ARG A 25 2.977 -4.097 -5.676 1.00 0.00 C ATOM 389 C ARG A 25 3.431 -3.081 -4.645 1.00 0.00 C ATOM 390 O ARG A 25 3.710 -1.932 -4.979 1.00 0.00 O ATOM 391 CB ARG A 25 3.859 -5.337 -5.632 1.00 0.00 C ATOM 392 CG ARG A 25 3.499 -6.339 -6.708 1.00 0.00 C ATOM 393 CD ARG A 25 2.103 -6.906 -6.487 1.00 0.00 C ATOM 394 NE ARG A 25 2.142 -8.280 -5.993 1.00 0.00 N ATOM 395 CZ ARG A 25 2.372 -9.340 -6.764 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.582 -9.188 -8.067 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.394 -10.554 -6.234 1.00 0.00 N ATOM 0 H ARG A 25 3.745 -2.878 -7.206 1.00 0.00 H new ATOM 0 HA ARG A 25 1.954 -4.382 -5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.902 -5.042 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.768 -5.810 -4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.549 -5.860 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.227 -7.150 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.566 -6.280 -5.775 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.546 -6.873 -7.423 1.00 0.00 H new ATOM 0 HE ARG A 25 1.983 -8.436 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.567 -8.256 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.758 -10.004 -8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.235 -10.677 -5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.570 -11.366 -6.826 1.00 0.00 H new ATOM 411 N TYR A 26 3.471 -3.497 -3.385 1.00 0.00 N ATOM 412 CA TYR A 26 3.858 -2.597 -2.307 1.00 0.00 C ATOM 413 C TYR A 26 4.819 -3.248 -1.318 1.00 0.00 C ATOM 414 O TYR A 26 4.783 -4.457 -1.089 1.00 0.00 O ATOM 415 CB TYR A 26 2.598 -2.087 -1.600 1.00 0.00 C ATOM 416 CG TYR A 26 2.204 -2.852 -0.362 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.947 -2.753 0.802 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.082 -3.663 -0.362 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.583 -3.447 1.940 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.706 -4.360 0.768 1.00 0.00 C ATOM 421 CZ TYR A 26 1.460 -4.250 1.918 1.00 0.00 C ATOM 422 OH TYR A 26 1.091 -4.942 3.049 1.00 0.00 O ATOM 0 H TYR A 26 3.242 -4.445 -3.086 1.00 0.00 H new ATOM 0 HA TYR A 26 4.398 -1.757 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.750 -1.042 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.768 -2.116 -2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.825 -2.124 0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.491 -3.752 -1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.173 -3.362 2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.173 -4.988 0.752 1.00 0.00 H new ATOM 0 HH TYR A 26 0.464 -5.655 2.806 1.00 0.00 H new ATOM 432 N ASP A 27 5.668 -2.413 -0.727 1.00 0.00 N ATOM 433 CA ASP A 27 6.650 -2.848 0.258 1.00 0.00 C ATOM 434 C ASP A 27 6.886 -1.728 1.264 1.00 0.00 C ATOM 435 O ASP A 27 7.432 -0.683 0.914 1.00 0.00 O ATOM 436 CB ASP A 27 7.965 -3.213 -0.430 1.00 0.00 C ATOM 437 CG ASP A 27 8.246 -4.703 -0.395 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.615 -5.444 -1.179 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.095 -5.128 0.414 1.00 0.00 O ATOM 0 H ASP A 27 5.694 -1.412 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 27 6.271 -3.730 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.934 -2.877 -1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.784 -2.681 0.054 1.00 0.00 H new ATOM 444 N GLU A 28 6.461 -1.929 2.507 1.00 0.00 N ATOM 445 CA GLU A 28 6.625 -0.897 3.524 1.00 0.00 C ATOM 446 C GLU A 28 7.759 -1.223 4.490 1.00 0.00 C ATOM 447 O GLU A 28 7.877 -2.344 4.985 1.00 0.00 O ATOM 448 CB GLU A 28 5.300 -0.670 4.272 1.00 0.00 C ATOM 449 CG GLU A 28 5.452 -0.312 5.746 1.00 0.00 C ATOM 450 CD GLU A 28 4.137 -0.387 6.499 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.230 0.414 6.190 1.00 0.00 O ATOM 452 OE2 GLU A 28 4.014 -1.248 7.396 1.00 0.00 O ATOM 0 H GLU A 28 6.007 -2.783 2.831 1.00 0.00 H new ATOM 0 HA GLU A 28 6.900 0.029 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.750 0.128 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.695 -1.573 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.171 -0.988 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.860 0.695 5.832 1.00 0.00 H new ATOM 459 N ALA A 29 8.578 -0.210 4.757 1.00 0.00 N ATOM 460 CA ALA A 29 9.700 -0.342 5.671 1.00 0.00 C ATOM 461 C ALA A 29 9.576 0.672 6.802 1.00 0.00 C ATOM 462 O ALA A 29 9.802 1.865 6.607 1.00 0.00 O ATOM 463 CB ALA A 29 11.012 -0.144 4.924 1.00 0.00 C ATOM 0 H ALA A 29 8.481 0.719 4.347 1.00 0.00 H new ATOM 0 HA ALA A 29 9.691 -1.345 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.845 -0.245 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.101 -0.895 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.030 0.850 4.478 1.00 0.00 H new ATOM 469 N ARG A 30 9.203 0.191 7.982 1.00 0.00 N ATOM 470 CA ARG A 30 9.038 1.062 9.140 1.00 0.00 C ATOM 471 C ARG A 30 10.280 1.035 10.026 1.00 0.00 C ATOM 472 O ARG A 30 10.970 0.020 10.114 1.00 0.00 O ATOM 473 CB ARG A 30 7.806 0.640 9.946 1.00 0.00 C ATOM 474 CG ARG A 30 6.609 0.286 9.077 1.00 0.00 C ATOM 475 CD ARG A 30 5.297 0.667 9.742 1.00 0.00 C ATOM 476 NE ARG A 30 5.296 0.378 11.174 1.00 0.00 N ATOM 477 CZ ARG A 30 5.100 -0.838 11.684 1.00 0.00 C ATOM 478 NH1 ARG A 30 4.888 -1.874 10.883 1.00 0.00 N ATOM 479 NH2 ARG A 30 5.117 -1.015 12.998 1.00 0.00 N ATOM 0 H ARG A 30 9.010 -0.794 8.162 1.00 0.00 H new ATOM 0 HA ARG A 30 8.898 2.082 8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.063 -0.219 10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.529 1.449 10.622 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.692 0.797 8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.614 -0.784 8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.110 1.730 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.480 0.127 9.264 1.00 0.00 H new ATOM 0 HE ARG A 30 5.454 1.151 11.821 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.874 -1.742 9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.739 -2.802 11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.280 -0.221 13.617 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.967 -1.945 13.389 1.00 0.00 H new ATOM 493 N GLY A 31 10.561 2.163 10.673 1.00 0.00 N ATOM 494 CA GLY A 31 11.724 2.259 11.541 1.00 0.00 C ATOM 495 C GLY A 31 11.843 1.088 12.498 1.00 0.00 C ATOM 496 O GLY A 31 10.892 0.755 13.204 1.00 0.00 O ATOM 0 H GLY A 31 10.003 3.015 10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.624 2.315 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.669 3.185 12.113 1.00 0.00 H new ATOM 500 N ASN A 32 13.017 0.465 12.522 1.00 0.00 N ATOM 501 CA ASN A 32 13.262 -0.675 13.399 1.00 0.00 C ATOM 502 C ASN A 32 12.259 -1.792 13.130 1.00 0.00 C ATOM 503 O ASN A 32 11.895 -2.543 14.035 1.00 0.00 O ATOM 504 CB ASN A 32 13.182 -0.244 14.864 1.00 0.00 C ATOM 505 CG ASN A 32 14.192 -0.964 15.734 1.00 0.00 C ATOM 506 OD1 ASN A 32 14.953 -0.336 16.472 1.00 0.00 O ATOM 507 ND2 ASN A 32 14.207 -2.290 15.652 1.00 0.00 N ATOM 0 H ASN A 32 13.814 0.731 11.944 1.00 0.00 H new ATOM 0 HA ASN A 32 14.264 -1.052 13.193 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.348 0.831 14.933 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.178 -0.437 15.242 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.867 -2.828 16.214 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.559 -2.770 15.027 1.00 0.00 H new ATOM 514 N ARG A 33 11.815 -1.895 11.881 1.00 0.00 N ATOM 515 CA ARG A 33 10.853 -2.920 11.496 1.00 0.00 C ATOM 516 C ARG A 33 10.648 -2.936 9.985 1.00 0.00 C ATOM 517 O ARG A 33 9.531 -3.126 9.501 1.00 0.00 O ATOM 518 CB ARG A 33 9.514 -2.681 12.205 1.00 0.00 C ATOM 519 CG ARG A 33 8.540 -3.846 12.104 1.00 0.00 C ATOM 520 CD ARG A 33 9.183 -5.155 12.535 1.00 0.00 C ATOM 521 NE ARG A 33 8.316 -5.920 13.428 1.00 0.00 N ATOM 522 CZ ARG A 33 8.751 -6.882 14.241 1.00 0.00 C ATOM 523 NH1 ARG A 33 10.038 -7.202 14.273 1.00 0.00 N ATOM 524 NH2 ARG A 33 7.895 -7.525 15.022 1.00 0.00 N ATOM 0 H ARG A 33 12.106 -1.282 11.120 1.00 0.00 H new ATOM 0 HA ARG A 33 11.250 -3.889 11.798 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.705 -2.471 13.257 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.045 -1.792 11.783 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.668 -3.646 12.727 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.185 -3.936 11.077 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.415 -5.753 11.654 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.128 -4.947 13.037 1.00 0.00 H new ATOM 0 HE ARG A 33 7.319 -5.705 13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.701 -6.711 13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.365 -7.939 14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.904 -7.283 15.000 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.227 -8.262 15.645 1.00 0.00 H new ATOM 538 N LYS A 34 11.733 -2.737 9.239 1.00 0.00 N ATOM 539 CA LYS A 34 11.662 -2.732 7.780 1.00 0.00 C ATOM 540 C LYS A 34 11.092 -4.048 7.265 1.00 0.00 C ATOM 541 O LYS A 34 10.948 -5.009 8.021 1.00 0.00 O ATOM 542 CB LYS A 34 13.043 -2.488 7.172 1.00 0.00 C ATOM 543 CG LYS A 34 14.156 -3.274 7.845 1.00 0.00 C ATOM 544 CD LYS A 34 14.872 -2.433 8.889 1.00 0.00 C ATOM 545 CE LYS A 34 16.230 -1.964 8.393 1.00 0.00 C ATOM 546 NZ LYS A 34 16.722 -0.783 9.156 1.00 0.00 N ATOM 0 H LYS A 34 12.666 -2.578 9.618 1.00 0.00 H new ATOM 0 HA LYS A 34 10.999 -1.921 7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.015 -2.748 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.274 -1.424 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.742 -4.166 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.871 -3.612 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.259 -1.569 9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.998 -3.015 9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.949 -2.778 8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.162 -1.710 7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.651 -0.494 8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.048 0.003 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.811 -1.032 10.162 1.00 0.00 H new ATOM 560 N SER A 35 10.761 -4.088 5.976 1.00 0.00 N ATOM 561 CA SER A 35 10.197 -5.291 5.367 1.00 0.00 C ATOM 562 C SER A 35 9.074 -5.856 6.232 1.00 0.00 C ATOM 563 O SER A 35 8.838 -7.064 6.256 1.00 0.00 O ATOM 564 CB SER A 35 11.286 -6.347 5.169 1.00 0.00 C ATOM 565 OG SER A 35 12.572 -5.752 5.135 1.00 0.00 O ATOM 0 H SER A 35 10.873 -3.303 5.334 1.00 0.00 H new ATOM 0 HA SER A 35 9.785 -5.021 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.241 -7.077 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.108 -6.889 4.240 1.00 0.00 H new ATOM 0 HG SER A 35 13.251 -6.447 5.009 1.00 0.00 H new ATOM 571 N ALA A 36 8.393 -4.968 6.950 1.00 0.00 N ATOM 572 CA ALA A 36 7.301 -5.363 7.831 1.00 0.00 C ATOM 573 C ALA A 36 6.217 -6.124 7.076 1.00 0.00 C ATOM 574 O ALA A 36 5.835 -7.227 7.465 1.00 0.00 O ATOM 575 CB ALA A 36 6.713 -4.135 8.510 1.00 0.00 C ATOM 0 H ALA A 36 8.580 -3.965 6.938 1.00 0.00 H new ATOM 0 HA ALA A 36 7.705 -6.034 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.898 -4.438 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.486 -3.638 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.334 -3.448 7.754 1.00 0.00 H new ATOM 581 N TYR A 37 5.717 -5.525 6.001 1.00 0.00 N ATOM 582 CA TYR A 37 4.668 -6.146 5.204 1.00 0.00 C ATOM 583 C TYR A 37 4.764 -5.754 3.734 1.00 0.00 C ATOM 584 O TYR A 37 5.276 -4.689 3.390 1.00 0.00 O ATOM 585 CB TYR A 37 3.294 -5.755 5.752 1.00 0.00 C ATOM 586 CG TYR A 37 2.480 -6.937 6.214 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.817 -7.617 7.374 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.380 -7.374 5.491 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.081 -8.705 7.803 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.635 -8.459 5.911 1.00 0.00 C ATOM 591 CZ TYR A 37 0.990 -9.121 7.068 1.00 0.00 C ATOM 592 OH TYR A 37 0.253 -10.204 7.491 1.00 0.00 O ATOM 0 H TYR A 37 6.021 -4.612 5.663 1.00 0.00 H new ATOM 0 HA TYR A 37 4.800 -7.226 5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.425 -5.065 6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.741 -5.221 4.980 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.669 -7.291 7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.101 -6.857 4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.358 -9.226 8.707 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.219 -8.787 5.337 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.466 -9.899 8.083 1.00 0.00 H new ATOM 602 N GLN A 38 4.251 -6.628 2.877 1.00 0.00 N ATOM 603 CA GLN A 38 4.246 -6.401 1.436 1.00 0.00 C ATOM 604 C GLN A 38 3.218 -7.306 0.775 1.00 0.00 C ATOM 605 O GLN A 38 2.945 -8.404 1.265 1.00 0.00 O ATOM 606 CB GLN A 38 5.628 -6.656 0.820 1.00 0.00 C ATOM 607 CG GLN A 38 6.740 -6.883 1.836 1.00 0.00 C ATOM 608 CD GLN A 38 7.978 -7.499 1.215 1.00 0.00 C ATOM 609 OE1 GLN A 38 8.096 -7.588 -0.008 1.00 0.00 O ATOM 610 NE2 GLN A 38 8.911 -7.928 2.057 1.00 0.00 N ATOM 0 H GLN A 38 3.828 -7.512 3.160 1.00 0.00 H new ATOM 0 HA GLN A 38 3.986 -5.357 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.566 -7.527 0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.895 -5.806 0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.004 -5.932 2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.374 -7.533 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.772 -7.834 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.767 -8.351 1.698 1.00 0.00 H new ATOM 619 N GLY A 39 2.643 -6.854 -0.332 1.00 0.00 N ATOM 620 CA GLY A 39 1.649 -7.665 -1.011 1.00 0.00 C ATOM 621 C GLY A 39 1.254 -7.114 -2.363 1.00 0.00 C ATOM 622 O GLY A 39 2.094 -6.953 -3.248 1.00 0.00 O ATOM 0 H GLY A 39 2.843 -5.954 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.038 -8.675 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.761 -7.741 -0.383 1.00 0.00 H new ATOM 626 N ARG A 40 -0.033 -6.826 -2.520 1.00 0.00 N ATOM 627 CA ARG A 40 -0.550 -6.293 -3.768 1.00 0.00 C ATOM 628 C ARG A 40 -1.809 -5.491 -3.496 1.00 0.00 C ATOM 629 O ARG A 40 -2.397 -5.597 -2.420 1.00 0.00 O ATOM 630 CB ARG A 40 -0.841 -7.426 -4.754 1.00 0.00 C ATOM 631 CG ARG A 40 -2.013 -8.306 -4.348 1.00 0.00 C ATOM 632 CD ARG A 40 -1.567 -9.730 -4.051 1.00 0.00 C ATOM 633 NE ARG A 40 -0.818 -10.313 -5.160 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.382 -10.775 -6.274 1.00 0.00 C ATOM 635 NH1 ARG A 40 -2.699 -10.725 -6.430 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.628 -11.290 -7.235 1.00 0.00 N ATOM 0 H ARG A 40 -0.737 -6.954 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 40 0.200 -5.639 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.043 -6.998 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.050 -8.046 -4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.497 -7.885 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.755 -8.315 -5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.949 -9.736 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.441 -10.347 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 40 0.197 -10.370 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.285 -10.331 -5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.125 -11.081 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.385 -11.332 -7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.061 -11.644 -8.088 1.00 0.00 H new ATOM 650 N TYR A 41 -2.218 -4.683 -4.458 1.00 0.00 N ATOM 651 CA TYR A 41 -3.405 -3.865 -4.277 1.00 0.00 C ATOM 652 C TYR A 41 -4.261 -3.810 -5.530 1.00 0.00 C ATOM 653 O TYR A 41 -3.780 -4.000 -6.647 1.00 0.00 O ATOM 654 CB TYR A 41 -3.016 -2.445 -3.879 1.00 0.00 C ATOM 655 CG TYR A 41 -1.781 -1.933 -4.582 1.00 0.00 C ATOM 656 CD1 TYR A 41 -1.872 -1.290 -5.812 1.00 0.00 C ATOM 657 CD2 TYR A 41 -0.527 -2.095 -4.016 1.00 0.00 C ATOM 658 CE1 TYR A 41 -0.742 -0.824 -6.456 1.00 0.00 C ATOM 659 CE2 TYR A 41 0.605 -1.631 -4.655 1.00 0.00 C ATOM 660 CZ TYR A 41 0.494 -0.998 -5.874 1.00 0.00 C ATOM 661 OH TYR A 41 1.622 -0.535 -6.510 1.00 0.00 O ATOM 0 H TYR A 41 -1.754 -4.576 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.990 -4.330 -3.484 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.849 -1.776 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.850 -2.412 -2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.840 -1.153 -6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.434 -2.591 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.827 -0.326 -7.411 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.576 -1.764 -4.201 1.00 0.00 H new ATOM 0 HH TYR A 41 2.418 -0.912 -6.080 1.00 0.00 H new ATOM 671 N GLU A 42 -5.535 -3.513 -5.320 1.00 0.00 N ATOM 672 CA GLU A 42 -6.489 -3.381 -6.408 1.00 0.00 C ATOM 673 C GLU A 42 -7.071 -1.975 -6.384 1.00 0.00 C ATOM 674 O GLU A 42 -7.543 -1.517 -5.349 1.00 0.00 O ATOM 675 CB GLU A 42 -7.603 -4.424 -6.279 1.00 0.00 C ATOM 676 CG GLU A 42 -7.889 -5.173 -7.569 1.00 0.00 C ATOM 677 CD GLU A 42 -9.166 -5.985 -7.501 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.501 -6.477 -6.403 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.835 -6.128 -8.547 1.00 0.00 O ATOM 0 H GLU A 42 -5.934 -3.358 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.982 -3.551 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.329 -5.141 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.515 -3.929 -5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.960 -4.460 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.053 -5.836 -7.793 1.00 0.00 H new ATOM 686 N VAL A 43 -7.015 -1.285 -7.514 1.00 0.00 N ATOM 687 CA VAL A 43 -7.516 0.082 -7.586 1.00 0.00 C ATOM 688 C VAL A 43 -8.860 0.162 -8.303 1.00 0.00 C ATOM 689 O VAL A 43 -9.018 -0.337 -9.418 1.00 0.00 O ATOM 690 CB VAL A 43 -6.494 1.003 -8.284 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.066 2.397 -8.502 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.207 1.071 -7.470 1.00 0.00 C ATOM 0 H VAL A 43 -6.631 -1.645 -8.388 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.663 0.421 -6.560 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.269 0.581 -9.263 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.322 3.022 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.957 2.331 -9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.329 2.837 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.493 1.724 -7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.425 1.466 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.782 0.072 -7.377 1.00 0.00 H new ATOM 702 N ARG A 44 -9.823 0.803 -7.647 1.00 0.00 N ATOM 703 CA ARG A 44 -11.162 0.966 -8.204 1.00 0.00 C ATOM 704 C ARG A 44 -11.698 2.365 -7.913 1.00 0.00 C ATOM 705 O ARG A 44 -12.179 2.637 -6.813 1.00 0.00 O ATOM 706 CB ARG A 44 -12.108 -0.083 -7.621 1.00 0.00 C ATOM 707 CG ARG A 44 -13.290 -0.405 -8.521 1.00 0.00 C ATOM 708 CD ARG A 44 -14.499 -0.853 -7.716 1.00 0.00 C ATOM 709 NE ARG A 44 -15.700 -0.949 -8.541 1.00 0.00 N ATOM 710 CZ ARG A 44 -16.937 -0.977 -8.050 1.00 0.00 C ATOM 711 NH1 ARG A 44 -17.140 -0.913 -6.740 1.00 0.00 N ATOM 712 NH2 ARG A 44 -17.975 -1.068 -8.872 1.00 0.00 N ATOM 0 H ARG A 44 -9.700 1.220 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.102 0.832 -9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.548 -0.998 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.480 0.270 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.550 0.474 -9.110 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.010 -1.189 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.293 -1.822 -7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.674 -0.149 -6.902 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.584 -0.997 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.346 -0.842 -6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.090 -0.935 -6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.825 -1.116 -9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.923 -1.089 -8.496 1.00 0.00 H new ATOM 726 N GLY A 45 -11.612 3.250 -8.902 1.00 0.00 N ATOM 727 CA GLY A 45 -12.091 4.609 -8.720 1.00 0.00 C ATOM 728 C GLY A 45 -11.389 5.318 -7.579 1.00 0.00 C ATOM 729 O GLY A 45 -12.026 6.002 -6.778 1.00 0.00 O ATOM 0 H GLY A 45 -11.221 3.052 -9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.941 5.171 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.164 4.591 -8.529 1.00 0.00 H new ATOM 733 N ALA A 46 -10.069 5.143 -7.501 1.00 0.00 N ATOM 734 CA ALA A 46 -9.256 5.755 -6.450 1.00 0.00 C ATOM 735 C ALA A 46 -9.307 4.946 -5.154 1.00 0.00 C ATOM 736 O ALA A 46 -8.568 5.228 -4.212 1.00 0.00 O ATOM 737 CB ALA A 46 -9.682 7.196 -6.194 1.00 0.00 C ATOM 0 H ALA A 46 -9.536 4.576 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.225 5.758 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.060 7.625 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.564 7.778 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.726 7.217 -5.882 1.00 0.00 H new ATOM 743 N HIS A 47 -10.166 3.931 -5.112 1.00 0.00 N ATOM 744 CA HIS A 47 -10.283 3.082 -3.934 1.00 0.00 C ATOM 745 C HIS A 47 -9.387 1.863 -4.095 1.00 0.00 C ATOM 746 O HIS A 47 -9.471 1.154 -5.098 1.00 0.00 O ATOM 747 CB HIS A 47 -11.736 2.646 -3.730 1.00 0.00 C ATOM 748 CG HIS A 47 -12.374 3.241 -2.514 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.480 4.602 -2.307 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.945 2.654 -1.435 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.086 4.825 -1.154 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.379 3.660 -0.606 1.00 0.00 N ATOM 0 H HIS A 47 -10.789 3.678 -5.879 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.969 3.647 -3.057 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.317 2.925 -4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.774 1.559 -3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.041 1.593 -1.259 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.304 5.795 -0.732 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.851 3.528 0.288 1.00 0.00 H new ATOM 761 N ILE A 48 -8.511 1.628 -3.124 1.00 0.00 N ATOM 762 CA ILE A 48 -7.596 0.498 -3.211 1.00 0.00 C ATOM 763 C ILE A 48 -7.481 -0.251 -1.890 1.00 0.00 C ATOM 764 O ILE A 48 -7.538 0.340 -0.815 1.00 0.00 O ATOM 765 CB ILE A 48 -6.192 0.946 -3.700 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.062 0.099 -3.083 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.965 2.424 -3.419 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.556 0.607 -1.745 1.00 0.00 C ATOM 0 H ILE A 48 -8.416 2.195 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.018 -0.189 -3.945 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.166 0.786 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.418 -0.924 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.228 0.063 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.975 2.713 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.721 3.013 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.037 2.606 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.763 -0.048 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.166 1.618 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.375 0.616 -1.026 1.00 0.00 H new ATOM 780 N ASN A 49 -7.303 -1.562 -1.997 1.00 0.00 N ATOM 781 CA ASN A 49 -7.156 -2.425 -0.833 1.00 0.00 C ATOM 782 C ASN A 49 -5.948 -3.341 -1.019 1.00 0.00 C ATOM 783 O ASN A 49 -5.649 -3.761 -2.137 1.00 0.00 O ATOM 784 CB ASN A 49 -8.423 -3.266 -0.602 1.00 0.00 C ATOM 785 CG ASN A 49 -9.633 -2.770 -1.389 1.00 0.00 C ATOM 786 OD1 ASN A 49 -9.800 -1.569 -1.596 1.00 0.00 O ATOM 787 ND2 ASN A 49 -10.494 -3.692 -1.820 1.00 0.00 N ATOM 0 H ASN A 49 -7.257 -2.055 -2.889 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.004 -1.795 0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.219 -4.300 -0.878 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.664 -3.262 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.325 -3.410 -2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.322 -4.679 -1.629 1.00 0.00 H new ATOM 794 N TYR A 50 -5.250 -3.643 0.070 1.00 0.00 N ATOM 795 CA TYR A 50 -4.072 -4.500 0.012 1.00 0.00 C ATOM 796 C TYR A 50 -4.429 -5.937 0.365 1.00 0.00 C ATOM 797 O TYR A 50 -4.840 -6.216 1.485 1.00 0.00 O ATOM 798 CB TYR A 50 -3.008 -3.997 0.991 1.00 0.00 C ATOM 799 CG TYR A 50 -2.440 -2.637 0.649 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.848 -2.396 -0.584 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.493 -1.593 1.566 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.327 -1.154 -0.894 1.00 0.00 C ATOM 803 CE2 TYR A 50 -1.974 -0.350 1.263 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.393 -0.135 0.032 1.00 0.00 C ATOM 805 OH TYR A 50 -0.874 1.102 -0.275 1.00 0.00 O ATOM 0 H TYR A 50 -5.480 -3.306 1.005 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.684 -4.469 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.441 -3.956 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.193 -4.720 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.794 -3.192 -1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.948 -1.757 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.870 -0.983 -1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.023 0.450 1.987 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.001 1.708 0.485 1.00 0.00 H new ATOM 815 N TRP A 51 -4.251 -6.849 -0.582 1.00 0.00 N ATOM 816 CA TRP A 51 -4.538 -8.255 -0.336 1.00 0.00 C ATOM 817 C TRP A 51 -3.237 -9.046 -0.271 1.00 0.00 C ATOM 818 O TRP A 51 -2.730 -9.517 -1.289 1.00 0.00 O ATOM 819 CB TRP A 51 -5.471 -8.824 -1.410 1.00 0.00 C ATOM 820 CG TRP A 51 -5.623 -10.315 -1.348 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.093 -11.048 -0.296 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.306 -11.254 -2.382 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.085 -12.384 -0.612 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.607 -12.537 -1.886 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.797 -11.136 -3.678 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.415 -13.691 -2.642 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.608 -12.283 -4.428 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.917 -13.545 -3.908 1.00 0.00 C ATOM 0 H TRP A 51 -3.912 -6.642 -1.521 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.050 -8.342 0.622 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.453 -8.363 -1.307 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.091 -8.547 -2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.423 -10.637 0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.386 -13.140 0.003 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.555 -10.166 -4.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.651 -14.666 -2.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.216 -12.203 -5.431 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.759 -14.422 -4.519 1.00 0.00 H new ATOM 839 N ASP A 52 -2.696 -9.168 0.934 1.00 0.00 N ATOM 840 CA ASP A 52 -1.439 -9.881 1.141 1.00 0.00 C ATOM 841 C ASP A 52 -1.604 -11.383 0.963 1.00 0.00 C ATOM 842 O ASP A 52 -2.694 -11.929 1.131 1.00 0.00 O ATOM 843 CB ASP A 52 -0.885 -9.599 2.538 1.00 0.00 C ATOM 844 CG ASP A 52 -0.193 -8.252 2.622 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.877 -7.220 2.453 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.035 -8.229 2.854 1.00 0.00 O ATOM 0 H ASP A 52 -3.107 -8.783 1.784 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.740 -9.519 0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.699 -9.633 3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.181 -10.384 2.813 1.00 0.00 H new ATOM 851 N ASP A 53 -0.501 -12.043 0.632 1.00 0.00 N ATOM 852 CA ASP A 53 -0.497 -13.486 0.439 1.00 0.00 C ATOM 853 C ASP A 53 -0.308 -14.214 1.771 1.00 0.00 C ATOM 854 O ASP A 53 -0.501 -15.427 1.854 1.00 0.00 O ATOM 855 CB ASP A 53 0.609 -13.889 -0.536 1.00 0.00 C ATOM 856 CG ASP A 53 0.125 -13.936 -1.972 1.00 0.00 C ATOM 857 OD1 ASP A 53 0.107 -12.873 -2.628 1.00 0.00 O ATOM 858 OD2 ASP A 53 -0.237 -15.035 -2.441 1.00 0.00 O ATOM 0 H ASP A 53 0.406 -11.598 0.491 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.462 -13.774 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.435 -13.182 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.999 -14.867 -0.255 1.00 0.00 H new ATOM 863 N THR A 54 0.077 -13.471 2.812 1.00 0.00 N ATOM 864 CA THR A 54 0.296 -14.063 4.128 1.00 0.00 C ATOM 865 C THR A 54 -0.976 -14.056 4.973 1.00 0.00 C ATOM 866 O THR A 54 -0.917 -14.105 6.201 1.00 0.00 O ATOM 867 CB THR A 54 1.425 -13.337 4.864 1.00 0.00 C ATOM 868 OG1 THR A 54 1.732 -13.994 6.081 1.00 0.00 O ATOM 869 CG2 THR A 54 1.103 -11.897 5.190 1.00 0.00 C ATOM 0 H THR A 54 0.242 -12.465 2.767 1.00 0.00 H new ATOM 0 HA THR A 54 0.585 -15.103 3.972 1.00 0.00 H new ATOM 0 HB THR A 54 2.272 -13.354 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.903 -14.181 6.570 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.947 -11.444 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.910 -11.349 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.220 -11.857 5.827 1.00 0.00 H new ATOM 877 N GLY A 55 -2.120 -14.027 4.305 1.00 0.00 N ATOM 878 CA GLY A 55 -3.395 -14.053 5.002 1.00 0.00 C ATOM 879 C GLY A 55 -3.828 -12.717 5.584 1.00 0.00 C ATOM 880 O GLY A 55 -4.618 -12.689 6.528 1.00 0.00 O ATOM 0 H GLY A 55 -2.191 -13.986 3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.164 -14.400 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.338 -14.784 5.809 1.00 0.00 H new ATOM 884 N PHE A 56 -3.344 -11.606 5.030 1.00 0.00 N ATOM 885 CA PHE A 56 -3.734 -10.298 5.525 1.00 0.00 C ATOM 886 C PHE A 56 -4.374 -9.493 4.409 1.00 0.00 C ATOM 887 O PHE A 56 -4.216 -9.806 3.229 1.00 0.00 O ATOM 888 CB PHE A 56 -2.517 -9.552 6.104 1.00 0.00 C ATOM 889 CG PHE A 56 -2.532 -8.054 5.905 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.499 -7.502 4.631 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.584 -7.199 6.995 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.522 -6.129 4.449 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.605 -5.827 6.821 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.575 -5.292 5.547 1.00 0.00 C ATOM 0 H PHE A 56 -2.689 -11.590 4.248 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.462 -10.428 6.326 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.456 -9.761 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.612 -9.955 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.455 -8.152 3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.608 -7.610 7.994 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.499 -5.714 3.452 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.645 -5.174 7.680 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.593 -4.221 5.410 1.00 0.00 H new ATOM 904 N THR A 57 -5.068 -8.436 4.791 1.00 0.00 N ATOM 905 CA THR A 57 -5.700 -7.557 3.823 1.00 0.00 C ATOM 906 C THR A 57 -5.970 -6.185 4.431 1.00 0.00 C ATOM 907 O THR A 57 -6.351 -6.072 5.596 1.00 0.00 O ATOM 908 CB THR A 57 -7.000 -8.156 3.265 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.136 -7.501 3.803 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.170 -9.642 3.521 1.00 0.00 C ATOM 0 H THR A 57 -5.208 -8.165 5.764 1.00 0.00 H new ATOM 0 HA THR A 57 -5.004 -7.444 2.992 1.00 0.00 H new ATOM 0 HB THR A 57 -6.920 -8.006 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.950 -7.900 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.114 -9.979 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.347 -10.187 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.171 -9.828 4.595 1.00 0.00 H new ATOM 918 N ALA A 58 -5.772 -5.146 3.629 1.00 0.00 N ATOM 919 CA ALA A 58 -5.992 -3.786 4.066 1.00 0.00 C ATOM 920 C ALA A 58 -6.927 -3.073 3.105 1.00 0.00 C ATOM 921 O ALA A 58 -7.363 -3.644 2.107 1.00 0.00 O ATOM 922 CB ALA A 58 -4.669 -3.043 4.179 1.00 0.00 C ATOM 0 H ALA A 58 -5.456 -5.229 2.663 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.457 -3.805 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.853 -2.021 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.029 -3.548 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.176 -3.027 3.207 1.00 0.00 H new ATOM 928 N ASP A 59 -7.231 -1.829 3.416 1.00 0.00 N ATOM 929 CA ASP A 59 -8.120 -1.024 2.588 1.00 0.00 C ATOM 930 C ASP A 59 -7.720 0.449 2.611 1.00 0.00 C ATOM 931 O ASP A 59 -7.222 0.951 3.619 1.00 0.00 O ATOM 932 CB ASP A 59 -9.567 -1.180 3.059 1.00 0.00 C ATOM 933 CG ASP A 59 -9.778 -0.657 4.466 1.00 0.00 C ATOM 934 OD1 ASP A 59 -9.704 0.575 4.659 1.00 0.00 O ATOM 935 OD2 ASP A 59 -10.015 -1.478 5.377 1.00 0.00 O ATOM 0 H ASP A 59 -6.875 -1.347 4.241 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.035 -1.382 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.228 -0.649 2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.847 -2.233 3.020 1.00 0.00 H new ATOM 940 N GLY A 60 -7.942 1.132 1.492 1.00 0.00 N ATOM 941 CA GLY A 60 -7.600 2.540 1.399 1.00 0.00 C ATOM 942 C GLY A 60 -8.245 3.208 0.199 1.00 0.00 C ATOM 943 O GLY A 60 -9.032 2.588 -0.514 1.00 0.00 O ATOM 0 H GLY A 60 -8.353 0.735 0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.915 3.050 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.517 2.646 1.333 1.00 0.00 H new ATOM 947 N ASP A 61 -7.909 4.473 -0.025 1.00 0.00 N ATOM 948 CA ASP A 61 -8.465 5.220 -1.148 1.00 0.00 C ATOM 949 C ASP A 61 -7.717 6.532 -1.361 1.00 0.00 C ATOM 950 O ASP A 61 -7.524 7.308 -0.424 1.00 0.00 O ATOM 951 CB ASP A 61 -9.951 5.501 -0.916 1.00 0.00 C ATOM 952 CG ASP A 61 -10.230 6.037 0.474 1.00 0.00 C ATOM 953 OD1 ASP A 61 -9.274 6.488 1.140 1.00 0.00 O ATOM 954 OD2 ASP A 61 -11.404 6.003 0.899 1.00 0.00 O ATOM 0 H ASP A 61 -7.257 5.002 0.554 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.351 4.610 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.301 6.220 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.519 4.583 -1.069 1.00 0.00 H new ATOM 959 N PHE A 62 -7.300 6.776 -2.599 1.00 0.00 N ATOM 960 CA PHE A 62 -6.578 7.995 -2.937 1.00 0.00 C ATOM 961 C PHE A 62 -7.481 9.212 -2.810 1.00 0.00 C ATOM 962 O PHE A 62 -8.402 9.406 -3.603 1.00 0.00 O ATOM 963 CB PHE A 62 -6.022 7.928 -4.362 1.00 0.00 C ATOM 964 CG PHE A 62 -5.253 6.673 -4.682 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.721 5.876 -3.678 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.058 6.294 -6.001 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.012 4.730 -3.985 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.350 5.151 -6.313 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.827 4.367 -5.304 1.00 0.00 C ATOM 0 H PHE A 62 -7.450 6.144 -3.385 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.749 8.087 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.850 8.019 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.371 8.787 -4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.863 6.155 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.466 6.901 -6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.603 4.119 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.205 4.870 -7.346 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.274 3.471 -5.546 1.00 0.00 H new ATOM 979 N VAL A 63 -7.203 10.031 -1.810 1.00 0.00 N ATOM 980 CA VAL A 63 -7.980 11.244 -1.574 1.00 0.00 C ATOM 981 C VAL A 63 -7.475 12.399 -2.435 1.00 0.00 C ATOM 982 O VAL A 63 -8.183 13.386 -2.640 1.00 0.00 O ATOM 983 CB VAL A 63 -7.944 11.675 -0.095 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.944 10.872 0.719 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.540 11.536 0.476 1.00 0.00 C ATOM 0 H VAL A 63 -6.444 9.881 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.008 11.006 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.225 12.727 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.904 11.190 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.948 11.037 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.699 9.812 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.540 11.846 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.220 10.496 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.853 12.166 -0.089 1.00 0.00 H new ATOM 995 N SER A 64 -6.249 12.273 -2.936 1.00 0.00 N ATOM 996 CA SER A 64 -5.657 13.311 -3.771 1.00 0.00 C ATOM 997 C SER A 64 -4.726 12.703 -4.813 1.00 0.00 C ATOM 998 O SER A 64 -4.716 11.490 -5.021 1.00 0.00 O ATOM 999 CB SER A 64 -4.893 14.316 -2.906 1.00 0.00 C ATOM 1000 OG SER A 64 -5.041 15.634 -3.403 1.00 0.00 O ATOM 0 H SER A 64 -5.648 11.464 -2.778 1.00 0.00 H new ATOM 0 HA SER A 64 -6.462 13.831 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.258 14.268 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.836 14.050 -2.882 1.00 0.00 H new ATOM 0 HG SER A 64 -4.545 16.257 -2.832 1.00 0.00 H new ATOM 1006 N ALA A 65 -3.944 13.555 -5.469 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.008 13.100 -6.490 1.00 0.00 C ATOM 1008 C ALA A 65 -1.702 12.620 -5.867 1.00 0.00 C ATOM 1009 O ALA A 65 -1.007 11.777 -6.437 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.740 14.215 -7.489 1.00 0.00 C ATOM 0 H ALA A 65 -3.940 14.563 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.459 12.256 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.040 13.864 -8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.675 14.508 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.313 15.073 -6.970 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.368 13.161 -4.700 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.139 12.785 -4.008 1.00 0.00 C ATOM 1018 C ASN A 66 -0.420 12.293 -2.587 1.00 0.00 C ATOM 1019 O ASN A 66 0.504 11.934 -1.858 1.00 0.00 O ATOM 1020 CB ASN A 66 0.828 13.972 -3.964 1.00 0.00 C ATOM 1021 CG ASN A 66 1.929 13.877 -5.009 1.00 0.00 C ATOM 1022 OD1 ASN A 66 3.041 14.357 -4.791 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.634 13.257 -6.150 1.00 0.00 N ATOM 0 H ASN A 66 -1.930 13.860 -4.214 1.00 0.00 H new ATOM 0 HA ASN A 66 0.315 11.966 -4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.269 14.895 -4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.278 14.031 -2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.341 13.167 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.701 12.872 -6.295 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.692 12.274 -2.194 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.064 11.819 -0.859 1.00 0.00 C ATOM 1032 C GLU A 67 -2.730 10.448 -0.918 1.00 0.00 C ATOM 1033 O GLU A 67 -3.395 10.111 -1.896 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.002 12.828 -0.192 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.757 12.991 1.300 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.160 14.360 1.810 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -2.858 15.361 1.127 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -3.778 14.431 2.893 1.00 0.00 O ATOM 0 H GLU A 67 -2.476 12.566 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.154 11.736 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.886 13.796 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.033 12.513 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.314 12.227 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.701 12.825 1.511 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.536 9.660 0.133 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.105 8.321 0.203 1.00 0.00 C ATOM 1047 C LEU A 68 -3.786 8.105 1.547 1.00 0.00 C ATOM 1048 O LEU A 68 -3.300 8.562 2.581 1.00 0.00 O ATOM 1049 CB LEU A 68 -1.991 7.285 -0.034 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.209 5.858 0.506 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.444 5.828 2.008 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.353 5.187 -0.227 1.00 0.00 C ATOM 0 H LEU A 68 -1.987 9.927 0.950 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.863 8.202 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.823 7.214 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.073 7.673 0.407 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.289 5.303 0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.591 4.798 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.579 6.250 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.330 6.415 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.495 4.180 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.266 5.765 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.122 5.133 -1.291 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.904 7.394 1.528 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.638 7.104 2.752 1.00 0.00 C ATOM 1066 C HIS A 69 -5.881 5.609 2.896 1.00 0.00 C ATOM 1067 O HIS A 69 -6.702 5.034 2.182 1.00 0.00 O ATOM 1068 CB HIS A 69 -6.971 7.845 2.776 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.896 9.201 3.405 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.724 9.922 3.507 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -7.857 9.969 3.970 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -5.968 11.072 4.108 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.255 11.127 4.398 1.00 0.00 N ATOM 0 H HIS A 69 -5.322 7.008 0.681 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.030 7.446 3.590 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.337 7.948 1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.701 7.243 3.317 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.811 9.615 3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.903 9.718 4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.238 11.838 4.326 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.173 4.984 3.825 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.330 3.551 4.059 1.00 0.00 C ATOM 1084 C HIS A 70 -5.186 3.225 5.542 1.00 0.00 C ATOM 1085 O HIS A 70 -4.299 3.746 6.218 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.323 2.754 3.214 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.104 2.303 3.961 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -2.918 1.005 4.384 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -2.008 2.989 4.358 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.758 0.911 5.012 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.186 2.101 5.007 1.00 0.00 N ATOM 0 H HIS A 70 -4.488 5.440 4.427 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.334 3.259 3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.826 1.879 2.802 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.010 3.368 2.370 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.815 4.039 4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.349 0.014 5.453 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.280 2.325 5.419 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.069 2.369 6.043 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.026 2.000 7.445 1.00 0.00 C ATOM 1102 C GLY A 71 -6.136 3.208 8.356 1.00 0.00 C ATOM 1103 O GLY A 71 -5.723 3.161 9.514 1.00 0.00 O ATOM 0 H GLY A 71 -6.813 1.925 5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.839 1.307 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.094 1.473 7.653 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.692 4.294 7.825 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.845 5.506 8.605 1.00 0.00 C ATOM 1109 C GLY A 72 -5.554 6.295 8.706 1.00 0.00 C ATOM 1110 O GLY A 72 -5.349 7.040 9.664 1.00 0.00 O ATOM 0 H GLY A 72 -7.039 4.354 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.615 6.131 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.190 5.249 9.607 1.00 0.00 H new ATOM 1114 N MET A 73 -4.678 6.130 7.717 1.00 0.00 N ATOM 1115 CA MET A 73 -3.403 6.828 7.706 1.00 0.00 C ATOM 1116 C MET A 73 -3.303 7.760 6.506 1.00 0.00 C ATOM 1117 O MET A 73 -4.077 7.654 5.555 1.00 0.00 O ATOM 1118 CB MET A 73 -2.260 5.815 7.668 1.00 0.00 C ATOM 1119 CG MET A 73 -1.601 5.595 9.017 1.00 0.00 C ATOM 1120 SD MET A 73 -2.198 4.112 9.850 1.00 0.00 S ATOM 1121 CE MET A 73 -2.888 4.815 11.345 1.00 0.00 C ATOM 0 H MET A 73 -4.832 5.518 6.915 1.00 0.00 H new ATOM 0 HA MET A 73 -3.332 7.427 8.614 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.641 4.863 7.299 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.508 6.155 6.956 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.522 5.521 8.882 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.784 6.462 9.652 1.00 0.00 H new ATOM 0 HE1 MET A 73 -3.298 4.019 11.966 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.106 5.338 11.895 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.680 5.517 11.085 1.00 0.00 H new ATOM 1131 N THR A 74 -2.332 8.664 6.553 1.00 0.00 N ATOM 1132 CA THR A 74 -2.113 9.604 5.461 1.00 0.00 C ATOM 1133 C THR A 74 -0.726 9.400 4.868 1.00 0.00 C ATOM 1134 O THR A 74 0.281 9.736 5.487 1.00 0.00 O ATOM 1135 CB THR A 74 -2.267 11.045 5.949 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.428 11.182 6.751 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.367 12.049 4.821 1.00 0.00 C ATOM 0 H THR A 74 -1.685 8.766 7.335 1.00 0.00 H new ATOM 0 HA THR A 74 -2.862 9.419 4.691 1.00 0.00 H new ATOM 0 HB THR A 74 -1.364 11.255 6.523 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.508 12.110 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.475 13.052 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.464 12.003 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.234 11.817 4.203 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.686 8.829 3.673 1.00 0.00 N ATOM 1146 CA PHE A 75 0.577 8.558 2.997 1.00 0.00 C ATOM 1147 C PHE A 75 0.773 9.472 1.792 1.00 0.00 C ATOM 1148 O PHE A 75 -0.097 9.575 0.928 1.00 0.00 O ATOM 1149 CB PHE A 75 0.614 7.094 2.566 1.00 0.00 C ATOM 1150 CG PHE A 75 1.040 6.159 3.653 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.382 5.911 3.894 1.00 0.00 C ATOM 1152 CD2 PHE A 75 0.091 5.523 4.434 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.767 5.046 4.898 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.470 4.658 5.440 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.810 4.418 5.673 1.00 0.00 C ATOM 0 H PHE A 75 -1.514 8.544 3.150 1.00 0.00 H new ATOM 0 HA PHE A 75 1.392 8.757 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.376 6.802 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.295 6.990 1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.133 6.399 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.958 5.706 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.815 4.860 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.280 4.169 6.044 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.110 3.741 6.459 1.00 0.00 H new ATOM 1165 N TYR A 76 1.924 10.133 1.740 1.00 0.00 N ATOM 1166 CA TYR A 76 2.242 11.035 0.641 1.00 0.00 C ATOM 1167 C TYR A 76 3.235 10.384 -0.314 1.00 0.00 C ATOM 1168 O TYR A 76 4.089 9.603 0.104 1.00 0.00 O ATOM 1169 CB TYR A 76 2.810 12.348 1.177 1.00 0.00 C ATOM 1170 CG TYR A 76 1.989 12.942 2.297 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.078 12.437 3.588 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.123 14.002 2.062 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.326 12.974 4.615 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.365 14.543 3.083 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.471 14.026 4.358 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.282 14.562 5.379 1.00 0.00 O ATOM 0 H TYR A 76 2.654 10.060 2.449 1.00 0.00 H new ATOM 0 HA TYR A 76 1.323 11.248 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.826 12.178 1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.874 13.068 0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.745 11.612 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.041 14.410 1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.407 12.572 5.614 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.306 15.365 2.884 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.830 15.296 5.031 1.00 0.00 H new ATOM 1186 N ARG A 77 3.107 10.695 -1.597 1.00 0.00 N ATOM 1187 CA ARG A 77 3.986 10.121 -2.608 1.00 0.00 C ATOM 1188 C ARG A 77 5.390 10.709 -2.547 1.00 0.00 C ATOM 1189 O ARG A 77 5.562 11.921 -2.454 1.00 0.00 O ATOM 1190 CB ARG A 77 3.413 10.335 -4.006 1.00 0.00 C ATOM 1191 CG ARG A 77 3.844 9.275 -5.006 1.00 0.00 C ATOM 1192 CD ARG A 77 2.828 8.150 -5.088 1.00 0.00 C ATOM 1193 NE ARG A 77 1.708 8.491 -5.965 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.728 8.338 -7.287 1.00 0.00 C ATOM 1195 NH1 ARG A 77 2.806 7.857 -7.893 1.00 0.00 N ATOM 1196 NH2 ARG A 77 0.666 8.672 -8.007 1.00 0.00 N ATOM 0 H ARG A 77 2.406 11.339 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 77 4.052 9.054 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.325 10.346 -3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.722 11.315 -4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.968 9.728 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.814 8.872 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.315 7.247 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.452 7.926 -4.090 1.00 0.00 H new ATOM 0 HE ARG A 77 0.862 8.868 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.628 7.601 -7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.813 7.743 -8.907 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.165 9.046 -7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.680 8.555 -9.020 1.00 0.00 H new ATOM 1210 N GLU A 78 6.372 9.816 -2.636 1.00 0.00 N ATOM 1211 CA GLU A 78 7.801 10.144 -2.626 1.00 0.00 C ATOM 1212 C GLU A 78 8.180 11.184 -1.564 1.00 0.00 C ATOM 1213 O GLU A 78 9.063 10.938 -0.743 1.00 0.00 O ATOM 1214 CB GLU A 78 8.242 10.559 -4.040 1.00 0.00 C ATOM 1215 CG GLU A 78 8.827 11.963 -4.172 1.00 0.00 C ATOM 1216 CD GLU A 78 7.767 13.022 -4.400 1.00 0.00 C ATOM 1217 OE1 GLU A 78 6.949 12.853 -5.329 1.00 0.00 O ATOM 1218 OE2 GLU A 78 7.753 14.020 -3.648 1.00 0.00 O ATOM 0 H GLU A 78 6.194 8.815 -2.720 1.00 0.00 H new ATOM 0 HA GLU A 78 8.347 9.246 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.984 9.843 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.382 10.481 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.387 12.205 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.535 11.980 -5.000 1.00 0.00 H new ATOM 1225 N LYS A 79 7.526 12.334 -1.587 1.00 0.00 N ATOM 1226 CA LYS A 79 7.810 13.399 -0.629 1.00 0.00 C ATOM 1227 C LYS A 79 9.227 13.931 -0.811 1.00 0.00 C ATOM 1228 O LYS A 79 10.174 13.263 -0.346 1.00 0.00 O ATOM 1229 CB LYS A 79 7.624 12.896 0.806 1.00 0.00 C ATOM 1230 CG LYS A 79 6.194 12.996 1.307 1.00 0.00 C ATOM 1231 CD LYS A 79 6.102 12.687 2.794 1.00 0.00 C ATOM 1232 CE LYS A 79 6.258 13.942 3.635 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.668 14.419 3.668 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.377 15.012 -1.419 1.00 0.00 O ATOM 0 H LYS A 79 6.792 12.558 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 79 7.107 14.211 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.947 11.857 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.273 13.468 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.810 13.999 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.563 12.303 0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.141 12.220 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.875 11.968 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.618 14.729 3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.919 13.742 4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.850 14.901 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.311 13.607 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.829 15.082 2.883 1.00 0.00 H new TER 1248 LYS A 79