USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=16 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 49 ASN : amide:sc= -3! C(o=-3!,f=-1.5!) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 GLN : amide:sc= -0.919 K(o=-0.92,f=0.15) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.301 (180deg=-1.41!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.893 K(o=-0.89,f=-0.057) USER MOD Single : A 3 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0.047) USER MOD Single : A 5 TYR OH : rot -40:sc= -3.06! USER MOD Single : A 11 THR OG1 : rot -90:sc= -1.06 USER MOD Single : A 23 ASN : amide:sc= -1.32 K(o=-1.3,f=0.1) USER MOD Single : A 26 TYR OH : rot -175:sc= 1.23 USER MOD Single : A 32 ASN : amide:sc= -0.152 K(o=-0.15,f=-6.1!) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= 0.691 (180deg=0.382) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.716 USER MOD Single : A 38 GLN : amide:sc= -0.891! C(o=-0.89!,f=-2.4!) USER MOD Single : A 41 TYR OH : rot 12:sc= -0.74 USER MOD Single : A 47 HIS : no HD1:sc= -2.18! X(o=-2.2!,f=-1.8) USER MOD Single : A 54 THR OG1 : rot -47:sc= 0.736 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 66 ASN : amide:sc= -0.761 K(o=-0.76,f=-0.017) USER MOD Single : A 69 HIS : no HE2:sc= -0.135 K(o=-0.14,f=-2.5!) USER MOD Single : A 70 HIS : no HD1:sc= -5.53! C(o=-5.5!,f=-8.9!) 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+ -121:sc= -0.961 (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.755 -8.778 -11.917 1.00 0.00 N ATOM 2 CA MET A 1 -6.548 -8.057 -12.401 1.00 0.00 C ATOM 3 C MET A 1 -6.335 -6.759 -11.627 1.00 0.00 C ATOM 4 O MET A 1 -7.279 -6.005 -11.390 1.00 0.00 O ATOM 5 CB MET A 1 -6.723 -7.760 -13.890 1.00 0.00 C ATOM 6 CG MET A 1 -5.409 -7.593 -14.635 1.00 0.00 C ATOM 7 SD MET A 1 -4.874 -9.111 -15.448 1.00 0.00 S ATOM 8 CE MET A 1 -6.248 -9.405 -16.559 1.00 0.00 C ATOM 0 H1 MET A 1 -7.876 -9.656 -12.460 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.641 -9.007 -10.909 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.593 -8.175 -12.043 1.00 0.00 H new ATOM 0 HA MET A 1 -5.669 -8.682 -12.243 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.291 -8.569 -14.349 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.314 -6.851 -14.004 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.516 -6.805 -15.380 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.638 -7.269 -13.936 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.888 -9.906 -17.458 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.988 -10.034 -16.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.705 -8.454 -16.832 1.00 0.00 H new ATOM 20 N GLN A 2 -5.091 -6.508 -11.237 1.00 0.00 N ATOM 21 CA GLN A 2 -4.753 -5.301 -10.490 1.00 0.00 C ATOM 22 C GLN A 2 -4.107 -4.261 -11.400 1.00 0.00 C ATOM 23 O GLN A 2 -3.625 -4.584 -12.484 1.00 0.00 O ATOM 24 CB GLN A 2 -3.811 -5.639 -9.332 1.00 0.00 C ATOM 25 CG GLN A 2 -4.437 -6.540 -8.282 1.00 0.00 C ATOM 26 CD GLN A 2 -3.960 -7.974 -8.382 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.762 -8.909 -8.409 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.645 -8.157 -8.438 1.00 0.00 N ATOM 0 H GLN A 2 -4.300 -7.123 -11.425 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.676 -4.882 -10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.919 -6.124 -9.730 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.486 -4.713 -8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.203 -6.152 -7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.522 -6.514 -8.387 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.017 -7.354 -8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.264 -9.101 -8.506 1.00 0.00 H new ATOM 37 N HIS A 3 -4.102 -3.010 -10.949 1.00 0.00 N ATOM 38 CA HIS A 3 -3.515 -1.920 -11.721 1.00 0.00 C ATOM 39 C HIS A 3 -2.330 -1.305 -10.980 1.00 0.00 C ATOM 40 O HIS A 3 -2.514 -0.558 -10.020 1.00 0.00 O ATOM 41 CB HIS A 3 -4.564 -0.844 -12.005 1.00 0.00 C ATOM 42 CG HIS A 3 -5.897 -1.393 -12.411 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.052 -2.334 -13.407 1.00 0.00 N ATOM 44 CD2 HIS A 3 -7.142 -1.129 -11.948 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.335 -2.624 -13.539 1.00 0.00 C ATOM 46 NE2 HIS A 3 -8.015 -1.907 -12.666 1.00 0.00 N ATOM 0 H HIS A 3 -4.498 -2.726 -10.053 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.159 -2.330 -12.666 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.691 -0.229 -11.114 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.195 -0.189 -12.795 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.400 -0.436 -11.161 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.755 -3.328 -14.242 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.027 -1.927 -12.544 1.00 0.00 H new ATOM 55 N PRO A 4 -1.092 -1.613 -11.412 1.00 0.00 N ATOM 56 CA PRO A 4 0.121 -1.082 -10.779 1.00 0.00 C ATOM 57 C PRO A 4 0.093 0.435 -10.636 1.00 0.00 C ATOM 58 O PRO A 4 -0.705 1.116 -11.281 1.00 0.00 O ATOM 59 CB PRO A 4 1.232 -1.499 -11.746 1.00 0.00 C ATOM 60 CG PRO A 4 0.704 -2.713 -12.426 1.00 0.00 C ATOM 61 CD PRO A 4 -0.779 -2.501 -12.548 1.00 0.00 C ATOM 0 HA PRO A 4 0.246 -1.460 -9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.451 -0.707 -12.463 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.159 -1.714 -11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.162 -2.843 -13.406 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.925 -3.611 -11.849 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.042 -2.042 -13.501 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.326 -3.442 -12.485 1.00 0.00 H new ATOM 69 N TYR A 5 0.980 0.961 -9.795 1.00 0.00 N ATOM 70 CA TYR A 5 1.068 2.401 -9.580 1.00 0.00 C ATOM 71 C TYR A 5 2.507 2.821 -9.363 1.00 0.00 C ATOM 72 O TYR A 5 2.963 3.815 -9.926 1.00 0.00 O ATOM 73 CB TYR A 5 0.216 2.839 -8.388 1.00 0.00 C ATOM 74 CG TYR A 5 -1.178 3.252 -8.785 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.130 2.303 -9.111 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.533 4.591 -8.857 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.404 2.674 -9.499 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.804 4.974 -9.239 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.736 4.011 -9.559 1.00 0.00 C ATOM 80 OH TYR A 5 -5.002 4.385 -9.946 1.00 0.00 O ATOM 0 H TYR A 5 1.647 0.412 -9.252 1.00 0.00 H new ATOM 0 HA TYR A 5 0.684 2.890 -10.475 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.157 2.021 -7.670 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.706 3.671 -7.883 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.874 1.255 -9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.803 5.347 -8.610 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.135 1.921 -9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.065 6.021 -9.287 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.301 3.813 -10.683 1.00 0.00 H new ATOM 90 N VAL A 6 3.225 2.054 -8.552 1.00 0.00 N ATOM 91 CA VAL A 6 4.620 2.358 -8.278 1.00 0.00 C ATOM 92 C VAL A 6 4.765 3.719 -7.607 1.00 0.00 C ATOM 93 O VAL A 6 4.224 4.719 -8.079 1.00 0.00 O ATOM 94 CB VAL A 6 5.439 2.347 -9.575 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.928 2.431 -9.278 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.115 1.107 -10.391 1.00 0.00 C ATOM 0 H VAL A 6 2.867 1.225 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 6 4.996 1.589 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 6 5.169 3.225 -10.162 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.487 2.421 -10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.140 3.354 -8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.226 1.578 -8.669 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.703 1.112 -11.309 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.355 0.216 -9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.054 1.102 -10.640 1.00 0.00 H new ATOM 106 N GLY A 7 5.493 3.751 -6.499 1.00 0.00 N ATOM 107 CA GLY A 7 5.689 4.993 -5.778 1.00 0.00 C ATOM 108 C GLY A 7 5.978 4.768 -4.311 1.00 0.00 C ATOM 109 O GLY A 7 5.434 3.846 -3.707 1.00 0.00 O ATOM 0 H GLY A 7 5.952 2.939 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.514 5.545 -6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.798 5.613 -5.879 1.00 0.00 H new ATOM 113 N ILE A 8 6.824 5.610 -3.726 1.00 0.00 N ATOM 114 CA ILE A 8 7.149 5.482 -2.314 1.00 0.00 C ATOM 115 C ILE A 8 6.218 6.353 -1.489 1.00 0.00 C ATOM 116 O ILE A 8 6.433 7.550 -1.330 1.00 0.00 O ATOM 117 CB ILE A 8 8.620 5.840 -2.026 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.526 4.811 -2.720 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.880 5.895 -0.521 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.525 4.125 -1.808 1.00 0.00 C ATOM 0 H ILE A 8 7.292 6.380 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 8 7.011 4.438 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 8 8.843 6.831 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.899 4.051 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.070 5.310 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.925 6.149 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.239 6.652 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.662 4.923 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.119 3.417 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.182 4.871 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.992 3.593 -1.020 1.00 0.00 H new ATOM 132 N TRP A 9 5.176 5.725 -0.979 1.00 0.00 N ATOM 133 CA TRP A 9 4.176 6.413 -0.178 1.00 0.00 C ATOM 134 C TRP A 9 4.613 6.466 1.277 1.00 0.00 C ATOM 135 O TRP A 9 4.630 5.452 1.975 1.00 0.00 O ATOM 136 CB TRP A 9 2.823 5.719 -0.342 1.00 0.00 C ATOM 137 CG TRP A 9 2.429 5.569 -1.789 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.982 4.718 -2.706 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.418 6.304 -2.490 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.383 4.879 -3.932 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.416 5.845 -3.824 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.514 7.303 -2.120 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.543 6.354 -4.783 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.351 7.805 -3.074 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.332 7.330 -4.392 1.00 0.00 C ATOM 0 H TRP A 9 4.997 4.729 -1.106 1.00 0.00 H new ATOM 0 HA TRP A 9 4.072 7.442 -0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.863 4.735 0.125 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.058 6.291 0.183 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.777 4.018 -2.496 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.619 4.365 -4.781 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.492 7.676 -1.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.557 5.991 -5.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.054 8.577 -2.799 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.022 7.743 -5.113 1.00 0.00 H new ATOM 156 N VAL A 10 4.992 7.659 1.715 1.00 0.00 N ATOM 157 CA VAL A 10 5.465 7.863 3.079 1.00 0.00 C ATOM 158 C VAL A 10 4.510 8.733 3.886 1.00 0.00 C ATOM 159 O VAL A 10 3.757 9.534 3.333 1.00 0.00 O ATOM 160 CB VAL A 10 6.871 8.505 3.080 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.315 8.862 4.492 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.881 7.578 2.420 1.00 0.00 C ATOM 0 H VAL A 10 4.981 8.504 1.143 1.00 0.00 H new ATOM 0 HA VAL A 10 5.513 6.881 3.549 1.00 0.00 H new ATOM 0 HB VAL A 10 6.818 9.429 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.307 9.311 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.610 9.571 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.346 7.960 5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.865 8.046 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.922 6.636 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.580 7.387 1.390 1.00 0.00 H new ATOM 172 N THR A 11 4.554 8.562 5.202 1.00 0.00 N ATOM 173 CA THR A 11 3.701 9.321 6.107 1.00 0.00 C ATOM 174 C THR A 11 4.062 10.806 6.096 1.00 0.00 C ATOM 175 O THR A 11 4.933 11.235 5.340 1.00 0.00 O ATOM 176 CB THR A 11 3.818 8.761 7.524 1.00 0.00 C ATOM 177 OG1 THR A 11 5.086 8.154 7.720 1.00 0.00 O ATOM 178 CG2 THR A 11 2.760 7.725 7.839 1.00 0.00 C ATOM 0 H THR A 11 5.175 7.900 5.668 1.00 0.00 H new ATOM 0 HA THR A 11 2.671 9.224 5.764 1.00 0.00 H new ATOM 0 HB THR A 11 3.683 9.614 8.189 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.036 7.206 7.476 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.896 7.365 8.859 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.771 8.173 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.850 6.890 7.144 1.00 0.00 H new ATOM 186 N ALA A 12 3.383 11.584 6.935 1.00 0.00 N ATOM 187 CA ALA A 12 3.627 13.023 7.017 1.00 0.00 C ATOM 188 C ALA A 12 4.815 13.339 7.922 1.00 0.00 C ATOM 189 O ALA A 12 5.399 14.419 7.836 1.00 0.00 O ATOM 190 CB ALA A 12 2.381 13.747 7.508 1.00 0.00 C ATOM 0 H ALA A 12 2.659 11.243 7.568 1.00 0.00 H new ATOM 0 HA ALA A 12 3.869 13.375 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.580 14.817 7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.559 13.566 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.111 13.377 8.497 1.00 0.00 H new ATOM 196 N ASP A 13 5.170 12.397 8.790 1.00 0.00 N ATOM 197 CA ASP A 13 6.288 12.589 9.705 1.00 0.00 C ATOM 198 C ASP A 13 7.515 11.815 9.236 1.00 0.00 C ATOM 199 O ASP A 13 8.648 12.171 9.564 1.00 0.00 O ATOM 200 CB ASP A 13 5.899 12.150 11.118 1.00 0.00 C ATOM 201 CG ASP A 13 5.541 13.322 12.009 1.00 0.00 C ATOM 202 OD1 ASP A 13 4.670 14.124 11.615 1.00 0.00 O ATOM 203 OD2 ASP A 13 6.133 13.438 13.104 1.00 0.00 O ATOM 0 H ASP A 13 4.701 11.496 8.878 1.00 0.00 H new ATOM 0 HA ASP A 13 6.536 13.650 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.051 11.467 11.063 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.726 11.597 11.564 1.00 0.00 H new ATOM 208 N GLY A 14 7.285 10.752 8.474 1.00 0.00 N ATOM 209 CA GLY A 14 8.383 9.945 7.983 1.00 0.00 C ATOM 210 C GLY A 14 8.722 8.813 8.928 1.00 0.00 C ATOM 211 O GLY A 14 9.854 8.328 8.947 1.00 0.00 O ATOM 0 H GLY A 14 6.358 10.436 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.124 9.536 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.261 10.575 7.842 1.00 0.00 H new ATOM 215 N ARG A 15 7.737 8.385 9.713 1.00 0.00 N ATOM 216 CA ARG A 15 7.944 7.293 10.658 1.00 0.00 C ATOM 217 C ARG A 15 7.919 5.956 9.928 1.00 0.00 C ATOM 218 O ARG A 15 8.558 4.993 10.353 1.00 0.00 O ATOM 219 CB ARG A 15 6.898 7.296 11.790 1.00 0.00 C ATOM 220 CG ARG A 15 5.732 8.254 11.587 1.00 0.00 C ATOM 221 CD ARG A 15 4.794 7.770 10.494 1.00 0.00 C ATOM 222 NE ARG A 15 3.585 7.160 11.042 1.00 0.00 N ATOM 223 CZ ARG A 15 2.551 7.854 11.509 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.573 9.181 11.497 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.490 7.219 11.990 1.00 0.00 N ATOM 0 H ARG A 15 6.794 8.775 9.714 1.00 0.00 H new ATOM 0 HA ARG A 15 8.922 7.441 11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.503 6.286 11.902 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.398 7.549 12.725 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.180 8.359 12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.113 9.242 11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.519 8.609 9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.313 7.046 9.865 1.00 0.00 H new ATOM 0 HE ARG A 15 3.531 6.142 11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.386 9.674 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.777 9.708 11.857 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.468 6.199 12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.697 7.751 12.348 1.00 0.00 H new ATOM 239 N ILE A 16 7.191 5.907 8.817 1.00 0.00 N ATOM 240 CA ILE A 16 7.101 4.691 8.020 1.00 0.00 C ATOM 241 C ILE A 16 7.087 5.030 6.535 1.00 0.00 C ATOM 242 O ILE A 16 6.716 6.136 6.144 1.00 0.00 O ATOM 243 CB ILE A 16 5.862 3.830 8.395 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.700 4.024 7.410 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.403 4.138 9.810 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.615 2.925 6.374 1.00 0.00 C ATOM 0 H ILE A 16 6.656 6.694 8.450 1.00 0.00 H new ATOM 0 HA ILE A 16 7.985 4.093 8.242 1.00 0.00 H new ATOM 0 HB ILE A 16 6.172 2.786 8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.763 4.066 7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.815 4.983 6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.535 3.525 10.053 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.209 3.919 10.510 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.135 5.192 9.884 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.775 3.118 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.538 2.898 5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.471 1.966 6.872 1.00 0.00 H new ATOM 258 N ARG A 17 7.498 4.077 5.713 1.00 0.00 N ATOM 259 CA ARG A 17 7.539 4.285 4.273 1.00 0.00 C ATOM 260 C ARG A 17 7.042 3.046 3.533 1.00 0.00 C ATOM 261 O ARG A 17 7.377 1.920 3.899 1.00 0.00 O ATOM 262 CB ARG A 17 8.971 4.649 3.847 1.00 0.00 C ATOM 263 CG ARG A 17 9.549 3.780 2.740 1.00 0.00 C ATOM 264 CD ARG A 17 11.036 4.029 2.569 1.00 0.00 C ATOM 265 NE ARG A 17 11.841 3.142 3.406 1.00 0.00 N ATOM 266 CZ ARG A 17 13.134 2.899 3.199 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.771 3.473 2.187 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.791 2.079 4.009 1.00 0.00 N ATOM 0 H ARG A 17 7.807 3.154 6.017 1.00 0.00 H new ATOM 0 HA ARG A 17 6.876 5.110 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.984 5.688 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.622 4.583 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.378 2.729 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.032 3.988 1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.309 3.887 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.261 5.066 2.819 1.00 0.00 H new ATOM 0 HE ARG A 17 11.386 2.682 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.271 4.105 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.761 3.283 2.034 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.306 1.636 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.781 1.892 3.852 1.00 0.00 H new ATOM 282 N GLN A 18 6.244 3.261 2.492 1.00 0.00 N ATOM 283 CA GLN A 18 5.707 2.160 1.701 1.00 0.00 C ATOM 284 C GLN A 18 6.060 2.325 0.228 1.00 0.00 C ATOM 285 O GLN A 18 5.572 3.237 -0.438 1.00 0.00 O ATOM 286 CB GLN A 18 4.192 2.068 1.880 1.00 0.00 C ATOM 287 CG GLN A 18 3.597 0.765 1.370 1.00 0.00 C ATOM 288 CD GLN A 18 2.247 0.959 0.711 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.242 0.396 1.149 1.00 0.00 O ATOM 290 NE2 GLN A 18 2.214 1.759 -0.350 1.00 0.00 N ATOM 0 H GLN A 18 5.955 4.187 2.177 1.00 0.00 H new ATOM 0 HA GLN A 18 6.159 1.233 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.952 2.178 2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.722 2.901 1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.284 0.311 0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.495 0.067 2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.070 2.205 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.333 1.927 -0.835 1.00 0.00 H new ATOM 299 N GLU A 19 6.916 1.438 -0.274 1.00 0.00 N ATOM 300 CA GLU A 19 7.337 1.495 -1.668 1.00 0.00 C ATOM 301 C GLU A 19 6.420 0.678 -2.557 1.00 0.00 C ATOM 302 O GLU A 19 6.242 -0.522 -2.350 1.00 0.00 O ATOM 303 CB GLU A 19 8.771 0.982 -1.830 1.00 0.00 C ATOM 304 CG GLU A 19 9.218 0.854 -3.278 1.00 0.00 C ATOM 305 CD GLU A 19 10.679 0.471 -3.407 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.014 -0.696 -3.117 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.487 1.339 -3.797 1.00 0.00 O ATOM 0 H GLU A 19 7.329 0.675 0.262 1.00 0.00 H new ATOM 0 HA GLU A 19 7.288 2.541 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.449 1.657 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.856 0.009 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.605 0.105 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.048 1.800 -3.792 1.00 0.00 H new ATOM 314 N LEU A 20 5.885 1.323 -3.580 1.00 0.00 N ATOM 315 CA LEU A 20 5.037 0.635 -4.532 1.00 0.00 C ATOM 316 C LEU A 20 5.919 0.157 -5.674 1.00 0.00 C ATOM 317 O LEU A 20 6.533 0.951 -6.384 1.00 0.00 O ATOM 318 CB LEU A 20 3.895 1.541 -5.011 1.00 0.00 C ATOM 319 CG LEU A 20 2.769 1.755 -3.994 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.496 2.214 -4.681 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.504 0.493 -3.187 1.00 0.00 C ATOM 0 H LEU A 20 6.023 2.316 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 20 4.555 -0.225 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.310 2.512 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.468 1.114 -5.918 1.00 0.00 H new ATOM 0 HG LEU A 20 3.095 2.536 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.713 2.358 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.681 3.154 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.178 1.459 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.700 0.679 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.214 -0.315 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.408 0.209 -2.648 1.00 0.00 H new ATOM 333 N LEU A 21 6.035 -1.156 -5.781 1.00 0.00 N ATOM 334 CA LEU A 21 6.906 -1.781 -6.762 1.00 0.00 C ATOM 335 C LEU A 21 6.456 -1.572 -8.201 1.00 0.00 C ATOM 336 O LEU A 21 5.289 -1.293 -8.473 1.00 0.00 O ATOM 337 CB LEU A 21 7.024 -3.270 -6.450 1.00 0.00 C ATOM 338 CG LEU A 21 8.279 -3.694 -5.658 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.129 -2.488 -5.256 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.882 -4.480 -4.420 1.00 0.00 C ATOM 0 H LEU A 21 5.529 -1.817 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 21 7.879 -1.295 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.142 -3.575 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.008 -3.821 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 21 8.880 -4.326 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.003 -2.828 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.452 -1.956 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.539 -1.819 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.778 -4.772 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.252 -3.860 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.331 -5.372 -4.717 1.00 0.00 H new ATOM 352 N PRO A 22 7.413 -1.713 -9.142 1.00 0.00 N ATOM 353 CA PRO A 22 7.171 -1.543 -10.580 1.00 0.00 C ATOM 354 C PRO A 22 6.198 -2.571 -11.142 1.00 0.00 C ATOM 355 O PRO A 22 5.626 -2.370 -12.214 1.00 0.00 O ATOM 356 CB PRO A 22 8.559 -1.722 -11.211 1.00 0.00 C ATOM 357 CG PRO A 22 9.524 -1.543 -10.090 1.00 0.00 C ATOM 358 CD PRO A 22 8.822 -2.051 -8.869 1.00 0.00 C ATOM 0 HA PRO A 22 6.713 -0.577 -10.792 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.661 -2.708 -11.665 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.731 -0.989 -11.999 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.444 -2.098 -10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.801 -0.495 -9.975 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.963 -3.124 -8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.186 -1.568 -7.962 1.00 0.00 H new ATOM 366 N ASN A 23 6.007 -3.670 -10.421 1.00 0.00 N ATOM 367 CA ASN A 23 5.092 -4.712 -10.871 1.00 0.00 C ATOM 368 C ASN A 23 3.720 -4.537 -10.231 1.00 0.00 C ATOM 369 O ASN A 23 2.944 -5.489 -10.132 1.00 0.00 O ATOM 370 CB ASN A 23 5.641 -6.107 -10.551 1.00 0.00 C ATOM 371 CG ASN A 23 7.147 -6.127 -10.342 1.00 0.00 C ATOM 372 OD1 ASN A 23 7.902 -6.495 -11.242 1.00 0.00 O ATOM 373 ND2 ASN A 23 7.595 -5.729 -9.155 1.00 0.00 N ATOM 0 H ASN A 23 6.468 -3.862 -9.532 1.00 0.00 H new ATOM 0 HA ASN A 23 4.993 -4.619 -11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.152 -6.485 -9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.385 -6.786 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.597 -5.721 -8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.937 -5.431 -8.435 1.00 0.00 H new ATOM 380 N GLY A 24 3.426 -3.318 -9.790 1.00 0.00 N ATOM 381 CA GLY A 24 2.151 -3.049 -9.160 1.00 0.00 C ATOM 382 C GLY A 24 2.040 -3.731 -7.819 1.00 0.00 C ATOM 383 O GLY A 24 1.086 -4.465 -7.560 1.00 0.00 O ATOM 0 H GLY A 24 4.049 -2.513 -9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.027 -1.974 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.344 -3.389 -9.810 1.00 0.00 H new ATOM 387 N ARG A 25 3.028 -3.494 -6.966 1.00 0.00 N ATOM 388 CA ARG A 25 3.049 -4.102 -5.642 1.00 0.00 C ATOM 389 C ARG A 25 3.503 -3.103 -4.593 1.00 0.00 C ATOM 390 O ARG A 25 3.778 -1.950 -4.913 1.00 0.00 O ATOM 391 CB ARG A 25 3.948 -5.333 -5.648 1.00 0.00 C ATOM 392 CG ARG A 25 3.571 -6.319 -6.735 1.00 0.00 C ATOM 393 CD ARG A 25 2.137 -6.809 -6.569 1.00 0.00 C ATOM 394 NE ARG A 25 2.079 -8.231 -6.239 1.00 0.00 N ATOM 395 CZ ARG A 25 2.241 -9.206 -7.130 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.469 -8.917 -8.405 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.175 -10.473 -6.745 1.00 0.00 N ATOM 0 H ARG A 25 3.823 -2.887 -7.166 1.00 0.00 H new ATOM 0 HA ARG A 25 2.036 -4.412 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.984 -5.022 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.890 -5.826 -4.678 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.685 -5.848 -7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.253 -7.169 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.646 -6.234 -5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.583 -6.628 -7.490 1.00 0.00 H new ATOM 0 HE ARG A 25 1.904 -8.492 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.521 -7.944 -8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.592 -9.668 -9.084 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.000 -10.700 -5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.299 -11.221 -7.428 1.00 0.00 H new ATOM 411 N TYR A 26 3.546 -3.532 -3.337 1.00 0.00 N ATOM 412 CA TYR A 26 3.931 -2.633 -2.257 1.00 0.00 C ATOM 413 C TYR A 26 4.863 -3.292 -1.245 1.00 0.00 C ATOM 414 O TYR A 26 4.838 -4.505 -1.044 1.00 0.00 O ATOM 415 CB TYR A 26 2.668 -2.093 -1.575 1.00 0.00 C ATOM 416 CG TYR A 26 2.233 -2.851 -0.347 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.933 -2.735 0.841 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.117 -3.668 -0.379 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.532 -3.421 1.973 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.705 -4.357 0.742 1.00 0.00 C ATOM 421 CZ TYR A 26 1.415 -4.231 1.919 1.00 0.00 C ATOM 422 OH TYR A 26 1.010 -4.915 3.042 1.00 0.00 O ATOM 0 H TYR A 26 3.322 -4.483 -3.044 1.00 0.00 H new ATOM 0 HA TYR A 26 4.496 -1.808 -2.691 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.839 -1.052 -1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.852 -2.102 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.805 -2.100 0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.559 -3.768 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.089 -3.324 2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.168 -4.991 0.699 1.00 0.00 H new ATOM 0 HH TYR A 26 0.257 -5.499 2.815 1.00 0.00 H new ATOM 432 N ASP A 27 5.674 -2.454 -0.605 1.00 0.00 N ATOM 433 CA ASP A 27 6.625 -2.892 0.410 1.00 0.00 C ATOM 434 C ASP A 27 6.852 -1.764 1.406 1.00 0.00 C ATOM 435 O ASP A 27 7.436 -0.736 1.062 1.00 0.00 O ATOM 436 CB ASP A 27 7.953 -3.293 -0.236 1.00 0.00 C ATOM 437 CG ASP A 27 8.201 -4.786 -0.174 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.654 -5.514 -1.029 1.00 0.00 O ATOM 439 OD2 ASP A 27 8.943 -5.229 0.728 1.00 0.00 O ATOM 0 H ASP A 27 5.689 -1.449 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 27 6.218 -3.761 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.959 -2.970 -1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.769 -2.771 0.264 1.00 0.00 H new ATOM 444 N GLU A 28 6.371 -1.937 2.631 1.00 0.00 N ATOM 445 CA GLU A 28 6.515 -0.900 3.643 1.00 0.00 C ATOM 446 C GLU A 28 7.619 -1.224 4.642 1.00 0.00 C ATOM 447 O GLU A 28 7.723 -2.344 5.143 1.00 0.00 O ATOM 448 CB GLU A 28 5.170 -0.666 4.351 1.00 0.00 C ATOM 449 CG GLU A 28 5.281 -0.299 5.827 1.00 0.00 C ATOM 450 CD GLU A 28 3.946 -0.362 6.541 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.081 0.494 6.263 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.765 -1.269 7.382 1.00 0.00 O ATOM 0 H GLU A 28 5.883 -2.776 2.945 1.00 0.00 H new ATOM 0 HA GLU A 28 6.812 0.021 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.636 0.130 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.565 -1.568 4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.983 -0.975 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.692 0.707 5.918 1.00 0.00 H new ATOM 459 N ALA A 29 8.434 -0.213 4.931 1.00 0.00 N ATOM 460 CA ALA A 29 9.531 -0.347 5.877 1.00 0.00 C ATOM 461 C ALA A 29 9.366 0.650 7.017 1.00 0.00 C ATOM 462 O ALA A 29 9.591 1.849 6.843 1.00 0.00 O ATOM 463 CB ALA A 29 10.863 -0.132 5.171 1.00 0.00 C ATOM 0 H ALA A 29 8.351 0.716 4.517 1.00 0.00 H new ATOM 0 HA ALA A 29 9.517 -1.355 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.676 -0.235 5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.980 -0.874 4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.887 0.867 4.736 1.00 0.00 H new ATOM 469 N ARG A 30 8.964 0.152 8.179 1.00 0.00 N ATOM 470 CA ARG A 30 8.757 1.005 9.344 1.00 0.00 C ATOM 471 C ARG A 30 9.943 0.935 10.302 1.00 0.00 C ATOM 472 O ARG A 30 10.184 -0.093 10.934 1.00 0.00 O ATOM 473 CB ARG A 30 7.472 0.603 10.070 1.00 0.00 C ATOM 474 CG ARG A 30 6.323 0.272 9.131 1.00 0.00 C ATOM 475 CD ARG A 30 4.977 0.583 9.766 1.00 0.00 C ATOM 476 NE ARG A 30 4.428 -0.569 10.479 1.00 0.00 N ATOM 477 CZ ARG A 30 3.152 -0.679 10.839 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.289 0.288 10.557 1.00 0.00 N ATOM 479 NH2 ARG A 30 2.737 -1.761 11.485 1.00 0.00 N ATOM 0 H ARG A 30 8.775 -0.837 8.341 1.00 0.00 H new ATOM 0 HA ARG A 30 8.666 2.033 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.676 -0.262 10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.168 1.415 10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.431 0.841 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.364 -0.783 8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.087 1.418 10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.276 0.899 8.993 1.00 0.00 H new ATOM 0 HE ARG A 30 5.061 -1.334 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.602 1.123 10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.312 0.197 10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.396 -2.508 11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.759 -1.846 11.761 1.00 0.00 H new ATOM 493 N GLY A 31 10.674 2.041 10.407 1.00 0.00 N ATOM 494 CA GLY A 31 11.825 2.096 11.293 1.00 0.00 C ATOM 495 C GLY A 31 12.798 0.955 11.069 1.00 0.00 C ATOM 496 O GLY A 31 12.944 0.463 9.950 1.00 0.00 O ATOM 0 H GLY A 31 10.490 2.903 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.344 3.043 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.482 2.076 12.327 1.00 0.00 H new ATOM 500 N ASN A 32 13.466 0.535 12.139 1.00 0.00 N ATOM 501 CA ASN A 32 14.433 -0.554 12.062 1.00 0.00 C ATOM 502 C ASN A 32 13.784 -1.834 11.538 1.00 0.00 C ATOM 503 O ASN A 32 14.472 -2.729 11.048 1.00 0.00 O ATOM 504 CB ASN A 32 15.052 -0.810 13.438 1.00 0.00 C ATOM 505 CG ASN A 32 14.004 -1.013 14.515 1.00 0.00 C ATOM 506 OD1 ASN A 32 12.986 -0.321 14.544 1.00 0.00 O ATOM 507 ND2 ASN A 32 14.249 -1.965 15.407 1.00 0.00 N ATOM 0 H ASN A 32 13.355 0.933 13.071 1.00 0.00 H new ATOM 0 HA ASN A 32 15.216 -0.258 11.364 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.692 -1.691 13.387 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.689 0.032 13.709 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.580 -2.147 16.155 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.106 -2.514 15.344 1.00 0.00 H new ATOM 514 N ARG A 33 12.461 -1.913 11.642 1.00 0.00 N ATOM 515 CA ARG A 33 11.731 -3.087 11.173 1.00 0.00 C ATOM 516 C ARG A 33 11.224 -2.876 9.752 1.00 0.00 C ATOM 517 O ARG A 33 10.056 -2.549 9.540 1.00 0.00 O ATOM 518 CB ARG A 33 10.557 -3.400 12.108 1.00 0.00 C ATOM 519 CG ARG A 33 9.698 -4.566 11.643 1.00 0.00 C ATOM 520 CD ARG A 33 10.471 -5.873 11.677 1.00 0.00 C ATOM 521 NE ARG A 33 10.428 -6.502 12.995 1.00 0.00 N ATOM 522 CZ ARG A 33 11.286 -7.435 13.401 1.00 0.00 C ATOM 523 NH1 ARG A 33 12.254 -7.851 12.593 1.00 0.00 N ATOM 524 NH2 ARG A 33 11.177 -7.953 14.616 1.00 0.00 N ATOM 0 H ARG A 33 11.874 -1.182 12.045 1.00 0.00 H new ATOM 0 HA ARG A 33 12.417 -3.934 11.175 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.945 -3.620 13.103 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.931 -2.513 12.200 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.816 -4.646 12.279 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.344 -4.377 10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.058 -6.557 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.508 -5.688 11.398 1.00 0.00 H new ATOM 0 HE ARG A 33 9.697 -6.209 13.643 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.342 -7.455 11.657 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.909 -8.566 12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.435 -7.637 15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.835 -8.668 14.926 1.00 0.00 H new ATOM 538 N LYS A 34 12.108 -3.067 8.778 1.00 0.00 N ATOM 539 CA LYS A 34 11.744 -2.900 7.376 1.00 0.00 C ATOM 540 C LYS A 34 11.057 -4.155 6.847 1.00 0.00 C ATOM 541 O LYS A 34 11.048 -5.193 7.509 1.00 0.00 O ATOM 542 CB LYS A 34 12.977 -2.577 6.526 1.00 0.00 C ATOM 543 CG LYS A 34 14.204 -3.393 6.889 1.00 0.00 C ATOM 544 CD LYS A 34 15.107 -2.632 7.843 1.00 0.00 C ATOM 545 CE LYS A 34 16.056 -3.562 8.579 1.00 0.00 C ATOM 546 NZ LYS A 34 15.325 -4.551 9.418 1.00 0.00 N ATOM 0 H LYS A 34 13.079 -3.337 8.933 1.00 0.00 H new ATOM 0 HA LYS A 34 11.048 -2.064 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.737 -2.747 5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.212 -1.518 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.896 -4.333 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.757 -3.645 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.681 -1.891 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.498 -2.088 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.680 -4.089 7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.724 -2.975 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.978 -4.968 10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.547 -4.075 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.939 -5.303 8.812 1.00 0.00 H new ATOM 560 N SER A 35 10.479 -4.055 5.653 1.00 0.00 N ATOM 561 CA SER A 35 9.787 -5.185 5.045 1.00 0.00 C ATOM 562 C SER A 35 8.762 -5.775 6.009 1.00 0.00 C ATOM 563 O SER A 35 8.481 -6.973 5.974 1.00 0.00 O ATOM 564 CB SER A 35 10.791 -6.261 4.626 1.00 0.00 C ATOM 565 OG SER A 35 12.054 -5.692 4.324 1.00 0.00 O ATOM 0 H SER A 35 10.477 -3.205 5.089 1.00 0.00 H new ATOM 0 HA SER A 35 9.263 -4.825 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.900 -6.992 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.412 -6.796 3.755 1.00 0.00 H new ATOM 0 HG SER A 35 12.678 -6.401 4.061 1.00 0.00 H new ATOM 571 N ALA A 36 8.209 -4.927 6.872 1.00 0.00 N ATOM 572 CA ALA A 36 7.218 -5.364 7.846 1.00 0.00 C ATOM 573 C ALA A 36 6.047 -6.064 7.164 1.00 0.00 C ATOM 574 O ALA A 36 5.584 -7.110 7.619 1.00 0.00 O ATOM 575 CB ALA A 36 6.726 -4.174 8.655 1.00 0.00 C ATOM 0 H ALA A 36 8.432 -3.933 6.915 1.00 0.00 H new ATOM 0 HA ALA A 36 7.691 -6.081 8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.985 -4.509 9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.566 -3.717 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.273 -3.442 7.986 1.00 0.00 H new ATOM 581 N TYR A 37 5.575 -5.474 6.072 1.00 0.00 N ATOM 582 CA TYR A 37 4.456 -6.030 5.322 1.00 0.00 C ATOM 583 C TYR A 37 4.537 -5.657 3.843 1.00 0.00 C ATOM 584 O TYR A 37 4.918 -4.541 3.490 1.00 0.00 O ATOM 585 CB TYR A 37 3.132 -5.542 5.908 1.00 0.00 C ATOM 586 CG TYR A 37 2.281 -6.656 6.461 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.601 -7.258 7.668 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.164 -7.111 5.773 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.830 -8.287 8.176 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.387 -8.138 6.273 1.00 0.00 C ATOM 591 CZ TYR A 37 0.725 -8.724 7.475 1.00 0.00 C ATOM 592 OH TYR A 37 -0.044 -9.747 7.979 1.00 0.00 O ATOM 0 H TYR A 37 5.951 -4.608 5.686 1.00 0.00 H new ATOM 0 HA TYR A 37 4.508 -7.116 5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.336 -4.822 6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.572 -5.015 5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.465 -6.918 8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.898 -6.654 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.092 -8.747 9.118 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.479 -8.480 5.726 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.841 -9.375 8.411 1.00 0.00 H new ATOM 602 N GLN A 38 4.160 -6.602 2.987 1.00 0.00 N ATOM 603 CA GLN A 38 4.170 -6.392 1.543 1.00 0.00 C ATOM 604 C GLN A 38 3.119 -7.274 0.883 1.00 0.00 C ATOM 605 O GLN A 38 2.810 -8.357 1.379 1.00 0.00 O ATOM 606 CB GLN A 38 5.549 -6.694 0.942 1.00 0.00 C ATOM 607 CG GLN A 38 6.647 -6.933 1.969 1.00 0.00 C ATOM 608 CD GLN A 38 6.460 -8.229 2.734 1.00 0.00 C ATOM 609 OE1 GLN A 38 5.640 -9.069 2.364 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.220 -8.395 3.811 1.00 0.00 N ATOM 0 H GLN A 38 3.841 -7.528 3.272 1.00 0.00 H new ATOM 0 HA GLN A 38 3.940 -5.343 1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.468 -7.574 0.304 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.842 -5.862 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.613 -6.950 1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.669 -6.100 2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.887 -7.672 4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.137 -9.245 4.368 1.00 0.00 H new ATOM 619 N GLY A 39 2.568 -6.811 -0.233 1.00 0.00 N ATOM 620 CA GLY A 39 1.558 -7.593 -0.921 1.00 0.00 C ATOM 621 C GLY A 39 1.205 -7.037 -2.284 1.00 0.00 C ATOM 622 O GLY A 39 2.073 -6.885 -3.144 1.00 0.00 O ATOM 0 H GLY A 39 2.799 -5.919 -0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.914 -8.617 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.658 -7.634 -0.307 1.00 0.00 H new ATOM 626 N ARG A 40 -0.072 -6.735 -2.479 1.00 0.00 N ATOM 627 CA ARG A 40 -0.545 -6.195 -3.742 1.00 0.00 C ATOM 628 C ARG A 40 -1.801 -5.376 -3.511 1.00 0.00 C ATOM 629 O ARG A 40 -2.432 -5.485 -2.459 1.00 0.00 O ATOM 630 CB ARG A 40 -0.820 -7.325 -4.736 1.00 0.00 C ATOM 631 CG ARG A 40 -2.012 -8.193 -4.363 1.00 0.00 C ATOM 632 CD ARG A 40 -1.750 -9.660 -4.660 1.00 0.00 C ATOM 633 NE ARG A 40 -1.287 -9.867 -6.030 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.661 -10.968 -6.443 1.00 0.00 C ATOM 635 NH1 ARG A 40 -0.424 -11.962 -5.595 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.274 -11.076 -7.706 1.00 0.00 N ATOM 0 H ARG A 40 -0.799 -6.856 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 40 0.226 -5.550 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.990 -6.895 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.067 -7.954 -4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.235 -8.070 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.892 -7.861 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.004 -10.043 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.663 -10.232 -4.496 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.453 -9.125 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.722 -11.885 -4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.056 -12.803 -5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.455 -10.316 -8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.205 -11.919 -8.022 1.00 0.00 H new ATOM 650 N TYR A 41 -2.165 -4.553 -4.481 1.00 0.00 N ATOM 651 CA TYR A 41 -3.349 -3.723 -4.337 1.00 0.00 C ATOM 652 C TYR A 41 -4.164 -3.654 -5.617 1.00 0.00 C ATOM 653 O TYR A 41 -3.643 -3.813 -6.721 1.00 0.00 O ATOM 654 CB TYR A 41 -2.961 -2.309 -3.913 1.00 0.00 C ATOM 655 CG TYR A 41 -1.712 -1.796 -4.586 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.462 -2.067 -4.054 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.783 -1.040 -5.752 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.685 -1.601 -4.663 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.639 -0.572 -6.368 1.00 0.00 C ATOM 660 CZ TYR A 41 0.593 -0.854 -5.818 1.00 0.00 C ATOM 661 OH TYR A 41 1.737 -0.390 -6.426 1.00 0.00 O ATOM 0 H TYR A 41 -1.666 -4.442 -5.364 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.966 -4.187 -3.568 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.787 -1.633 -4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.815 -2.290 -2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.384 -2.652 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.748 -0.816 -6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.652 -1.821 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.709 0.011 -7.274 1.00 0.00 H new ATOM 0 HH TYR A 41 2.519 -0.829 -6.031 1.00 0.00 H new ATOM 671 N GLU A 42 -5.450 -3.384 -5.444 1.00 0.00 N ATOM 672 CA GLU A 42 -6.372 -3.250 -6.564 1.00 0.00 C ATOM 673 C GLU A 42 -6.987 -1.858 -6.545 1.00 0.00 C ATOM 674 O GLU A 42 -7.503 -1.419 -5.522 1.00 0.00 O ATOM 675 CB GLU A 42 -7.467 -4.317 -6.488 1.00 0.00 C ATOM 676 CG GLU A 42 -7.692 -5.050 -7.802 1.00 0.00 C ATOM 677 CD GLU A 42 -8.893 -4.525 -8.562 1.00 0.00 C ATOM 678 OE1 GLU A 42 -10.034 -4.835 -8.160 1.00 0.00 O ATOM 679 OE2 GLU A 42 -8.694 -3.804 -9.564 1.00 0.00 O ATOM 0 H GLU A 42 -5.882 -3.252 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.826 -3.391 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.204 -5.042 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.401 -3.847 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.802 -4.954 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.829 -6.113 -7.602 1.00 0.00 H new ATOM 686 N VAL A 43 -6.908 -1.155 -7.667 1.00 0.00 N ATOM 687 CA VAL A 43 -7.439 0.202 -7.752 1.00 0.00 C ATOM 688 C VAL A 43 -8.782 0.246 -8.474 1.00 0.00 C ATOM 689 O VAL A 43 -8.944 -0.330 -9.551 1.00 0.00 O ATOM 690 CB VAL A 43 -6.434 1.137 -8.456 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.056 2.497 -8.754 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.179 1.295 -7.608 1.00 0.00 C ATOM 0 H VAL A 43 -6.483 -1.499 -8.528 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.597 0.548 -6.730 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.160 0.683 -9.408 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.322 3.132 -9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.921 2.367 -9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.370 2.966 -7.821 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.478 1.957 -8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.445 1.721 -6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.715 0.320 -7.460 1.00 0.00 H new ATOM 702 N ARG A 44 -9.741 0.941 -7.869 1.00 0.00 N ATOM 703 CA ARG A 44 -11.076 1.079 -8.442 1.00 0.00 C ATOM 704 C ARG A 44 -11.591 2.505 -8.273 1.00 0.00 C ATOM 705 O ARG A 44 -12.328 2.800 -7.333 1.00 0.00 O ATOM 706 CB ARG A 44 -12.041 0.100 -7.774 1.00 0.00 C ATOM 707 CG ARG A 44 -13.198 -0.318 -8.663 1.00 0.00 C ATOM 708 CD ARG A 44 -14.321 -0.951 -7.858 1.00 0.00 C ATOM 709 NE ARG A 44 -15.452 -1.334 -8.701 1.00 0.00 N ATOM 710 CZ ARG A 44 -16.409 -2.176 -8.320 1.00 0.00 C ATOM 711 NH1 ARG A 44 -16.377 -2.725 -7.112 1.00 0.00 N ATOM 712 NH2 ARG A 44 -17.401 -2.471 -9.149 1.00 0.00 N ATOM 0 H ARG A 44 -9.617 1.420 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.015 0.853 -9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.489 -0.789 -7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.438 0.556 -6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.579 0.552 -9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.844 -1.025 -9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.942 -1.831 -7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.659 -0.250 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.511 -0.932 -9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.616 -2.502 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.113 -3.370 -6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.430 -2.052 -10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.135 -3.117 -8.857 1.00 0.00 H new ATOM 726 N GLY A 45 -11.195 3.388 -9.185 1.00 0.00 N ATOM 727 CA GLY A 45 -11.628 4.773 -9.108 1.00 0.00 C ATOM 728 C GLY A 45 -11.026 5.496 -7.918 1.00 0.00 C ATOM 729 O GLY A 45 -11.725 6.214 -7.203 1.00 0.00 O ATOM 0 H GLY A 45 -10.585 3.171 -9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.348 5.291 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.715 4.809 -9.041 1.00 0.00 H new ATOM 733 N ALA A 46 -9.723 5.294 -7.702 1.00 0.00 N ATOM 734 CA ALA A 46 -9.002 5.916 -6.589 1.00 0.00 C ATOM 735 C ALA A 46 -9.128 5.089 -5.310 1.00 0.00 C ATOM 736 O ALA A 46 -8.392 5.307 -4.349 1.00 0.00 O ATOM 737 CB ALA A 46 -9.476 7.342 -6.351 1.00 0.00 C ATOM 0 H ALA A 46 -9.141 4.698 -8.291 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.948 5.950 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.922 7.776 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.306 7.936 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.540 7.337 -6.115 1.00 0.00 H new ATOM 743 N HIS A 47 -10.048 4.127 -5.307 1.00 0.00 N ATOM 744 CA HIS A 47 -10.243 3.262 -4.150 1.00 0.00 C ATOM 745 C HIS A 47 -9.417 1.996 -4.321 1.00 0.00 C ATOM 746 O HIS A 47 -9.522 1.320 -5.343 1.00 0.00 O ATOM 747 CB HIS A 47 -11.722 2.902 -4.000 1.00 0.00 C ATOM 748 CG HIS A 47 -12.358 3.468 -2.766 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.417 4.820 -2.499 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.971 2.855 -1.726 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.038 5.013 -1.349 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.385 3.838 -0.861 1.00 0.00 N ATOM 0 H HIS A 47 -10.668 3.928 -6.092 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.920 3.789 -3.252 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.265 3.261 -4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.823 1.817 -3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.109 1.791 -1.600 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.229 5.970 -0.887 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.881 3.684 0.017 1.00 0.00 H new ATOM 761 N ILE A 48 -8.583 1.679 -3.339 1.00 0.00 N ATOM 762 CA ILE A 48 -7.745 0.492 -3.447 1.00 0.00 C ATOM 763 C ILE A 48 -7.595 -0.247 -2.124 1.00 0.00 C ATOM 764 O ILE A 48 -7.567 0.356 -1.052 1.00 0.00 O ATOM 765 CB ILE A 48 -6.339 0.835 -4.025 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.204 0.187 -3.207 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.135 2.342 -4.109 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.928 0.865 -1.879 1.00 0.00 C ATOM 0 H ILE A 48 -8.469 2.213 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.260 -0.173 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.301 0.420 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.455 -0.858 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.291 0.196 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.146 2.553 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.895 2.776 -4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.218 2.776 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.116 0.347 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.644 1.903 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.825 0.833 -1.261 1.00 0.00 H new ATOM 780 N ASN A 49 -7.472 -1.565 -2.229 1.00 0.00 N ATOM 781 CA ASN A 49 -7.291 -2.425 -1.078 1.00 0.00 C ATOM 782 C ASN A 49 -5.957 -3.151 -1.180 1.00 0.00 C ATOM 783 O ASN A 49 -5.325 -3.166 -2.233 1.00 0.00 O ATOM 784 CB ASN A 49 -8.450 -3.422 -0.991 1.00 0.00 C ATOM 785 CG ASN A 49 -8.138 -4.657 -0.158 1.00 0.00 C ATOM 786 OD1 ASN A 49 -7.753 -5.695 -0.693 1.00 0.00 O ATOM 787 ND2 ASN A 49 -8.305 -4.548 1.156 1.00 0.00 N ATOM 0 H ASN A 49 -7.496 -2.063 -3.119 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.285 -1.822 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.318 -2.919 -0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.724 -3.735 -1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.112 -5.345 1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.626 -3.667 1.558 1.00 0.00 H new ATOM 794 N TYR A 50 -5.543 -3.752 -0.080 1.00 0.00 N ATOM 795 CA TYR A 50 -4.292 -4.489 -0.029 1.00 0.00 C ATOM 796 C TYR A 50 -4.552 -5.902 0.459 1.00 0.00 C ATOM 797 O TYR A 50 -4.939 -6.099 1.606 1.00 0.00 O ATOM 798 CB TYR A 50 -3.311 -3.801 0.922 1.00 0.00 C ATOM 799 CG TYR A 50 -2.743 -2.498 0.401 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.716 -2.488 -0.534 1.00 0.00 C ATOM 801 CD2 TYR A 50 -3.228 -1.277 0.853 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.190 -1.299 -1.004 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.709 -0.084 0.386 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.691 -0.102 -0.542 1.00 0.00 C ATOM 805 OH TYR A 50 -1.170 1.084 -1.008 1.00 0.00 O ATOM 0 H TYR A 50 -6.060 -3.744 0.799 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.861 -4.517 -1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.816 -3.610 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.488 -4.484 1.131 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.322 -3.425 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.025 -1.260 1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.390 -1.309 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.099 0.856 0.746 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.635 1.835 -0.583 1.00 0.00 H new ATOM 815 N TRP A 51 -4.344 -6.882 -0.405 1.00 0.00 N ATOM 816 CA TRP A 51 -4.564 -8.270 -0.032 1.00 0.00 C ATOM 817 C TRP A 51 -3.234 -8.997 0.094 1.00 0.00 C ATOM 818 O TRP A 51 -2.710 -9.537 -0.882 1.00 0.00 O ATOM 819 CB TRP A 51 -5.465 -8.969 -1.055 1.00 0.00 C ATOM 820 CG TRP A 51 -5.649 -10.433 -0.790 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.554 -11.004 0.058 1.00 0.00 C ATOM 822 CD2 TRP A 51 -4.908 -11.511 -1.373 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.422 -12.372 0.037 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.419 -12.707 -0.835 1.00 0.00 C ATOM 825 CE3 TRP A 51 -3.864 -11.582 -2.300 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -4.921 -13.958 -1.192 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -3.371 -12.823 -2.654 1.00 0.00 C ATOM 828 CH2 TRP A 51 -3.899 -13.996 -2.100 1.00 0.00 C ATOM 0 H TRP A 51 -4.025 -6.744 -1.364 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.067 -8.293 0.935 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.441 -8.483 -1.059 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.040 -8.839 -2.050 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -7.269 -10.460 0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.979 -13.030 0.581 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.450 -10.683 -2.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.327 -14.864 -0.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.565 -12.890 -3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.490 -14.951 -2.396 1.00 0.00 H new ATOM 839 N ASP A 52 -2.688 -8.996 1.302 1.00 0.00 N ATOM 840 CA ASP A 52 -1.405 -9.645 1.561 1.00 0.00 C ATOM 841 C ASP A 52 -1.500 -11.154 1.388 1.00 0.00 C ATOM 842 O ASP A 52 -2.586 -11.733 1.434 1.00 0.00 O ATOM 843 CB ASP A 52 -0.910 -9.324 2.969 1.00 0.00 C ATOM 844 CG ASP A 52 -0.143 -8.016 3.026 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.782 -6.948 2.934 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.098 -8.063 3.158 1.00 0.00 O ATOM 0 H ASP A 52 -3.111 -8.555 2.119 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.694 -9.256 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.761 -9.273 3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.270 -10.133 3.320 1.00 0.00 H new ATOM 851 N ASP A 53 -0.347 -11.785 1.193 1.00 0.00 N ATOM 852 CA ASP A 53 -0.280 -13.229 1.018 1.00 0.00 C ATOM 853 C ASP A 53 -0.228 -13.948 2.364 1.00 0.00 C ATOM 854 O ASP A 53 -0.397 -15.165 2.431 1.00 0.00 O ATOM 855 CB ASP A 53 0.944 -13.603 0.180 1.00 0.00 C ATOM 856 CG ASP A 53 2.224 -12.999 0.726 1.00 0.00 C ATOM 857 OD1 ASP A 53 2.311 -11.754 0.789 1.00 0.00 O ATOM 858 OD2 ASP A 53 3.135 -13.771 1.089 1.00 0.00 O ATOM 0 H ASP A 53 0.557 -11.315 1.152 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.184 -13.546 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.042 -14.688 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.795 -13.267 -0.846 1.00 0.00 H new ATOM 863 N THR A 54 0.014 -13.197 3.440 1.00 0.00 N ATOM 864 CA THR A 54 0.094 -13.784 4.773 1.00 0.00 C ATOM 865 C THR A 54 -1.260 -13.766 5.481 1.00 0.00 C ATOM 866 O THR A 54 -1.331 -13.791 6.709 1.00 0.00 O ATOM 867 CB THR A 54 1.144 -13.063 5.621 1.00 0.00 C ATOM 868 OG1 THR A 54 1.366 -13.752 6.838 1.00 0.00 O ATOM 869 CG2 THR A 54 0.766 -11.639 5.964 1.00 0.00 C ATOM 0 H THR A 54 0.157 -12.187 3.412 1.00 0.00 H new ATOM 0 HA THR A 54 0.394 -14.825 4.651 1.00 0.00 H new ATOM 0 HB THR A 54 2.044 -13.044 5.007 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.505 -13.983 7.245 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.555 -11.188 6.566 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.637 -11.065 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.167 -11.636 6.527 1.00 0.00 H new ATOM 877 N GLY A 55 -2.329 -13.751 4.695 1.00 0.00 N ATOM 878 CA GLY A 55 -3.668 -13.765 5.255 1.00 0.00 C ATOM 879 C GLY A 55 -4.137 -12.423 5.794 1.00 0.00 C ATOM 880 O GLY A 55 -5.002 -12.382 6.670 1.00 0.00 O ATOM 0 H GLY A 55 -2.293 -13.729 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.366 -14.099 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.704 -14.499 6.060 1.00 0.00 H new ATOM 884 N PHE A 56 -3.596 -11.322 5.277 1.00 0.00 N ATOM 885 CA PHE A 56 -4.008 -10.004 5.726 1.00 0.00 C ATOM 886 C PHE A 56 -4.639 -9.240 4.576 1.00 0.00 C ATOM 887 O PHE A 56 -4.464 -9.591 3.409 1.00 0.00 O ATOM 888 CB PHE A 56 -2.804 -9.226 6.293 1.00 0.00 C ATOM 889 CG PHE A 56 -2.828 -7.735 6.031 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.804 -7.236 4.734 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.885 -6.836 7.084 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.839 -5.872 4.494 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.918 -5.473 6.852 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.897 -4.991 5.557 1.00 0.00 C ATOM 0 H PHE A 56 -2.878 -11.321 4.553 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.746 -10.118 6.520 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.758 -9.390 7.370 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.890 -9.640 5.868 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.757 -7.922 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.904 -7.205 8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.821 -5.499 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.960 -4.785 7.683 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.926 -3.927 5.376 1.00 0.00 H new ATOM 904 N THR A 57 -5.334 -8.172 4.915 1.00 0.00 N ATOM 905 CA THR A 57 -5.950 -7.319 3.914 1.00 0.00 C ATOM 906 C THR A 57 -6.279 -5.954 4.498 1.00 0.00 C ATOM 907 O THR A 57 -6.668 -5.839 5.661 1.00 0.00 O ATOM 908 CB THR A 57 -7.199 -7.959 3.296 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.367 -7.226 3.626 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.434 -9.399 3.707 1.00 0.00 C ATOM 0 H THR A 57 -5.487 -7.873 5.878 1.00 0.00 H new ATOM 0 HA THR A 57 -5.224 -7.191 3.111 1.00 0.00 H new ATOM 0 HB THR A 57 -7.005 -7.940 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.148 -7.655 3.218 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.337 -9.772 3.224 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.582 -10.008 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.552 -9.454 4.789 1.00 0.00 H new ATOM 918 N ALA A 58 -6.111 -4.920 3.685 1.00 0.00 N ATOM 919 CA ALA A 58 -6.382 -3.554 4.130 1.00 0.00 C ATOM 920 C ALA A 58 -6.913 -2.683 2.998 1.00 0.00 C ATOM 921 O ALA A 58 -6.281 -2.552 1.953 1.00 0.00 O ATOM 922 CB ALA A 58 -5.123 -2.938 4.722 1.00 0.00 C ATOM 0 H ALA A 58 -5.791 -4.997 2.720 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.156 -3.603 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.335 -1.921 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.793 -3.533 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.337 -2.919 3.967 1.00 0.00 H new ATOM 928 N ASP A 59 -8.078 -2.080 3.217 1.00 0.00 N ATOM 929 CA ASP A 59 -8.695 -1.217 2.215 1.00 0.00 C ATOM 930 C ASP A 59 -8.269 0.236 2.400 1.00 0.00 C ATOM 931 O ASP A 59 -7.936 0.664 3.506 1.00 0.00 O ATOM 932 CB ASP A 59 -10.219 -1.326 2.289 1.00 0.00 C ATOM 933 CG ASP A 59 -10.901 -0.709 1.085 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.664 -1.188 -0.044 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.674 0.255 1.269 1.00 0.00 O ATOM 0 H ASP A 59 -8.614 -2.173 4.080 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.358 -1.549 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.502 -2.376 2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.572 -0.834 3.195 1.00 0.00 H new ATOM 940 N GLY A 60 -8.285 0.992 1.306 1.00 0.00 N ATOM 941 CA GLY A 60 -7.904 2.391 1.357 1.00 0.00 C ATOM 942 C GLY A 60 -8.584 3.207 0.276 1.00 0.00 C ATOM 943 O GLY A 60 -9.505 2.725 -0.384 1.00 0.00 O ATOM 0 H GLY A 60 -8.557 0.658 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.160 2.800 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.823 2.476 1.249 1.00 0.00 H new ATOM 947 N ASP A 61 -8.136 4.444 0.090 1.00 0.00 N ATOM 948 CA ASP A 61 -8.719 5.318 -0.922 1.00 0.00 C ATOM 949 C ASP A 61 -7.862 6.557 -1.144 1.00 0.00 C ATOM 950 O ASP A 61 -7.456 7.222 -0.191 1.00 0.00 O ATOM 951 CB ASP A 61 -10.133 5.729 -0.511 1.00 0.00 C ATOM 952 CG ASP A 61 -10.158 6.468 0.813 1.00 0.00 C ATOM 953 OD1 ASP A 61 -9.787 5.860 1.839 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.547 7.655 0.824 1.00 0.00 O ATOM 0 H ASP A 61 -7.375 4.863 0.624 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.762 4.763 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.564 6.363 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.761 4.841 -0.440 1.00 0.00 H new ATOM 959 N PHE A 62 -7.597 6.868 -2.408 1.00 0.00 N ATOM 960 CA PHE A 62 -6.796 8.035 -2.755 1.00 0.00 C ATOM 961 C PHE A 62 -7.620 9.308 -2.629 1.00 0.00 C ATOM 962 O PHE A 62 -8.531 9.554 -3.420 1.00 0.00 O ATOM 963 CB PHE A 62 -6.254 7.923 -4.181 1.00 0.00 C ATOM 964 CG PHE A 62 -5.396 6.712 -4.440 1.00 0.00 C ATOM 965 CD1 PHE A 62 -5.055 5.832 -3.421 1.00 0.00 C ATOM 966 CD2 PHE A 62 -4.923 6.459 -5.718 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.263 4.728 -3.675 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.129 5.359 -5.976 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.799 4.493 -4.954 1.00 0.00 C ATOM 0 H PHE A 62 -7.925 6.328 -3.209 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.958 8.078 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.095 7.909 -4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.672 8.817 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.413 6.012 -2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.179 7.132 -6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.007 4.050 -2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.767 5.177 -6.977 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.178 3.632 -5.154 1.00 0.00 H new ATOM 979 N VAL A 63 -7.289 10.115 -1.634 1.00 0.00 N ATOM 980 CA VAL A 63 -7.991 11.372 -1.403 1.00 0.00 C ATOM 981 C VAL A 63 -7.432 12.491 -2.278 1.00 0.00 C ATOM 982 O VAL A 63 -8.054 13.543 -2.424 1.00 0.00 O ATOM 983 CB VAL A 63 -7.917 11.806 0.074 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.904 11.011 0.914 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.500 11.655 0.611 1.00 0.00 C ATOM 0 H VAL A 63 -6.538 9.924 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.034 11.194 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.189 12.860 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.837 11.331 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.916 11.182 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.668 9.949 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.471 11.967 1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.191 10.612 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.822 12.277 0.028 1.00 0.00 H new ATOM 995 N SER A 64 -6.255 12.261 -2.858 1.00 0.00 N ATOM 996 CA SER A 64 -5.624 13.257 -3.716 1.00 0.00 C ATOM 997 C SER A 64 -4.649 12.598 -4.685 1.00 0.00 C ATOM 998 O SER A 64 -4.478 11.380 -4.676 1.00 0.00 O ATOM 999 CB SER A 64 -4.895 14.302 -2.870 1.00 0.00 C ATOM 1000 OG SER A 64 -4.525 15.424 -3.654 1.00 0.00 O ATOM 0 H SER A 64 -5.723 11.398 -2.749 1.00 0.00 H new ATOM 0 HA SER A 64 -6.405 13.751 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.537 14.623 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.006 13.857 -2.423 1.00 0.00 H new ATOM 0 HG SER A 64 -4.062 16.079 -3.090 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.015 13.411 -5.522 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.058 12.907 -6.497 1.00 0.00 C ATOM 1008 C ALA A 65 -1.756 12.481 -5.826 1.00 0.00 C ATOM 1009 O ALA A 65 -1.049 11.605 -6.323 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.785 13.961 -7.561 1.00 0.00 C ATOM 0 H ALA A 65 -4.147 14.422 -5.544 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.493 12.028 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.068 13.571 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.715 14.212 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.377 14.855 -7.091 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.442 13.110 -4.697 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.219 12.796 -3.963 1.00 0.00 C ATOM 1018 C ASN A 66 -0.525 12.315 -2.544 1.00 0.00 C ATOM 1019 O ASN A 66 0.386 11.948 -1.802 1.00 0.00 O ATOM 1020 CB ASN A 66 0.695 14.023 -3.908 1.00 0.00 C ATOM 1021 CG ASN A 66 1.797 13.988 -4.958 1.00 0.00 C ATOM 1022 OD1 ASN A 66 2.883 14.526 -4.744 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.527 13.355 -6.100 1.00 0.00 N ATOM 0 H ASN A 66 -2.015 13.838 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 66 0.287 11.989 -4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.096 14.923 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.146 14.090 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.233 13.304 -6.834 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.614 12.921 -6.239 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.802 12.312 -2.165 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.197 11.867 -0.833 1.00 0.00 C ATOM 1032 C GLU A 67 -2.874 10.504 -0.894 1.00 0.00 C ATOM 1033 O GLU A 67 -3.573 10.187 -1.857 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.129 12.890 -0.178 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.822 13.141 1.288 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.298 14.502 1.759 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -2.848 15.517 1.189 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.121 14.550 2.697 1.00 0.00 O ATOM 0 H GLU A 67 -2.576 12.611 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.295 11.777 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.060 13.832 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.158 12.543 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.294 12.366 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.747 13.060 1.449 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.653 9.697 0.137 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.228 8.360 0.204 1.00 0.00 C ATOM 1047 C LEU A 68 -3.876 8.131 1.563 1.00 0.00 C ATOM 1048 O LEU A 68 -3.372 8.594 2.588 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.124 7.324 -0.081 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.318 5.892 0.460 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.516 5.853 1.968 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.478 5.217 -0.247 1.00 0.00 C ATOM 0 H LEU A 68 -2.077 9.947 0.941 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.009 8.252 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.998 7.259 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.190 7.711 0.326 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.398 5.345 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.647 4.820 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.642 6.279 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.401 6.432 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.604 4.207 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.390 5.789 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.274 5.169 -1.317 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.987 7.406 1.572 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.690 7.109 2.813 1.00 0.00 C ATOM 1066 C HIS A 69 -5.909 5.609 2.968 1.00 0.00 C ATOM 1067 O HIS A 69 -6.723 5.015 2.260 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.030 7.837 2.868 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.963 9.167 3.550 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.791 9.882 3.691 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -7.929 9.915 4.134 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -6.042 11.010 4.332 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.330 11.055 4.611 1.00 0.00 N ATOM 0 H HIS A 69 -5.420 7.014 0.736 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.068 7.459 3.637 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.399 7.977 1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.754 7.209 3.386 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.875 9.586 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.976 9.662 4.210 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.315 11.767 4.585 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.189 5.005 3.903 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.314 3.575 4.157 1.00 0.00 C ATOM 1084 C HIS A 70 -5.252 3.287 5.652 1.00 0.00 C ATOM 1085 O HIS A 70 -4.419 3.844 6.367 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.230 2.793 3.392 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.023 2.420 4.204 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.085 1.626 5.332 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.713 2.719 4.032 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.868 1.455 5.816 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.019 2.107 5.045 1.00 0.00 N ATOM 0 H HIS A 70 -4.512 5.482 4.499 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.286 3.242 3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.675 1.882 2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.905 3.391 2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.293 3.326 3.244 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.612 0.880 6.693 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.009 2.149 5.180 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.143 2.418 6.122 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.172 2.079 7.533 1.00 0.00 C ATOM 1102 C GLY A 71 -6.260 3.309 8.416 1.00 0.00 C ATOM 1103 O GLY A 71 -5.870 3.275 9.583 1.00 0.00 O ATOM 0 H GLY A 71 -6.844 1.944 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.025 1.430 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.275 1.514 7.788 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.776 4.399 7.854 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.904 5.630 8.606 1.00 0.00 C ATOM 1109 C GLY A 72 -5.607 6.414 8.672 1.00 0.00 C ATOM 1110 O GLY A 72 -5.437 7.267 9.543 1.00 0.00 O ATOM 0 H GLY A 72 -7.107 4.449 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.676 6.250 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.236 5.400 9.618 1.00 0.00 H new ATOM 1114 N MET A 73 -4.682 6.127 7.756 1.00 0.00 N ATOM 1115 CA MET A 73 -3.400 6.817 7.731 1.00 0.00 C ATOM 1116 C MET A 73 -3.304 7.747 6.530 1.00 0.00 C ATOM 1117 O MET A 73 -4.080 7.640 5.581 1.00 0.00 O ATOM 1118 CB MET A 73 -2.259 5.800 7.692 1.00 0.00 C ATOM 1119 CG MET A 73 -1.595 5.578 9.040 1.00 0.00 C ATOM 1120 SD MET A 73 -2.321 4.202 9.952 1.00 0.00 S ATOM 1121 CE MET A 73 -2.515 4.936 11.575 1.00 0.00 C ATOM 0 H MET A 73 -4.799 5.424 7.026 1.00 0.00 H new ATOM 0 HA MET A 73 -3.319 7.417 8.637 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.644 4.849 7.325 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.508 6.137 6.978 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.532 5.389 8.891 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.677 6.487 9.635 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.954 4.206 12.255 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.540 5.244 11.954 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.169 5.806 11.505 1.00 0.00 H new ATOM 1131 N THR A 74 -2.334 8.652 6.573 1.00 0.00 N ATOM 1132 CA THR A 74 -2.116 9.594 5.482 1.00 0.00 C ATOM 1133 C THR A 74 -0.743 9.372 4.863 1.00 0.00 C ATOM 1134 O THR A 74 0.281 9.687 5.468 1.00 0.00 O ATOM 1135 CB THR A 74 -2.242 11.035 5.978 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.325 11.162 6.881 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.456 12.035 4.861 1.00 0.00 C ATOM 0 H THR A 74 -1.685 8.754 7.353 1.00 0.00 H new ATOM 0 HA THR A 74 -2.879 9.423 4.723 1.00 0.00 H new ATOM 0 HB THR A 74 -1.293 11.257 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.388 12.091 7.188 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.537 13.038 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.612 11.997 4.172 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.373 11.791 4.325 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.731 8.811 3.662 1.00 0.00 N ATOM 1146 CA PHE A 75 0.513 8.526 2.963 1.00 0.00 C ATOM 1147 C PHE A 75 0.701 9.443 1.764 1.00 0.00 C ATOM 1148 O PHE A 75 -0.135 9.484 0.862 1.00 0.00 O ATOM 1149 CB PHE A 75 0.516 7.066 2.514 1.00 0.00 C ATOM 1150 CG PHE A 75 0.918 6.115 3.595 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.253 5.860 3.849 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.044 5.476 4.362 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.625 4.987 4.850 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.321 4.601 5.365 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.657 4.357 5.611 1.00 0.00 C ATOM 0 H PHE A 75 -1.572 8.544 3.150 1.00 0.00 H new ATOM 0 HA PHE A 75 1.342 8.705 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.480 6.801 2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.197 6.954 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.012 6.350 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.090 5.665 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.671 4.796 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.437 4.108 5.956 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.946 3.675 6.397 1.00 0.00 H new ATOM 1165 N TYR A 76 1.813 10.164 1.751 1.00 0.00 N ATOM 1166 CA TYR A 76 2.119 11.061 0.653 1.00 0.00 C ATOM 1167 C TYR A 76 3.110 10.398 -0.282 1.00 0.00 C ATOM 1168 O TYR A 76 4.012 9.684 0.158 1.00 0.00 O ATOM 1169 CB TYR A 76 2.680 12.384 1.172 1.00 0.00 C ATOM 1170 CG TYR A 76 1.873 12.967 2.307 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.013 12.484 3.600 1.00 0.00 C ATOM 1172 CD2 TYR A 76 0.965 13.992 2.080 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.267 13.008 4.639 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.217 14.523 3.113 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.371 14.027 4.391 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.371 14.551 5.423 1.00 0.00 O ATOM 0 H TYR A 76 2.516 10.143 2.490 1.00 0.00 H new ATOM 0 HA TYR A 76 1.200 11.277 0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.706 12.230 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.715 13.103 0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.715 11.687 3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.841 14.381 1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.385 12.621 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.484 15.322 2.921 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.953 15.261 5.080 1.00 0.00 H new ATOM 1186 N ARG A 77 2.931 10.615 -1.570 1.00 0.00 N ATOM 1187 CA ARG A 77 3.804 10.016 -2.562 1.00 0.00 C ATOM 1188 C ARG A 77 5.249 10.446 -2.354 1.00 0.00 C ATOM 1189 O ARG A 77 5.513 11.552 -1.892 1.00 0.00 O ATOM 1190 CB ARG A 77 3.341 10.376 -3.973 1.00 0.00 C ATOM 1191 CG ARG A 77 3.788 9.379 -5.028 1.00 0.00 C ATOM 1192 CD ARG A 77 3.854 10.014 -6.408 1.00 0.00 C ATOM 1193 NE ARG A 77 3.324 9.131 -7.443 1.00 0.00 N ATOM 1194 CZ ARG A 77 2.049 8.751 -7.512 1.00 0.00 C ATOM 1195 NH1 ARG A 77 1.173 9.176 -6.610 1.00 0.00 N ATOM 1196 NH2 ARG A 77 1.649 7.943 -8.485 1.00 0.00 N ATOM 0 H ARG A 77 2.190 11.201 -1.955 1.00 0.00 H new ATOM 0 HA ARG A 77 3.752 8.934 -2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.253 10.442 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.723 11.363 -4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.768 8.983 -4.762 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.098 8.536 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.291 10.947 -6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.888 10.266 -6.642 1.00 0.00 H new ATOM 0 HE ARG A 77 3.967 8.785 -8.155 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.475 9.797 -5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.198 8.882 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.318 7.612 -9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.673 7.652 -8.537 1.00 0.00 H new ATOM 1210 N GLU A 78 6.163 9.537 -2.707 1.00 0.00 N ATOM 1211 CA GLU A 78 7.612 9.724 -2.599 1.00 0.00 C ATOM 1212 C GLU A 78 8.001 10.862 -1.660 1.00 0.00 C ATOM 1213 O GLU A 78 8.664 10.643 -0.646 1.00 0.00 O ATOM 1214 CB GLU A 78 8.202 9.961 -3.988 1.00 0.00 C ATOM 1215 CG GLU A 78 7.516 9.173 -5.093 1.00 0.00 C ATOM 1216 CD GLU A 78 8.352 9.090 -6.355 1.00 0.00 C ATOM 1217 OE1 GLU A 78 8.580 10.145 -6.985 1.00 0.00 O ATOM 1218 OE2 GLU A 78 8.779 7.973 -6.712 1.00 0.00 O ATOM 0 H GLU A 78 5.907 8.625 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 78 8.022 8.812 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.140 11.024 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.260 9.699 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.302 8.165 -4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.559 9.639 -5.326 1.00 0.00 H new ATOM 1225 N LYS A 79 7.583 12.068 -2.006 1.00 0.00 N ATOM 1226 CA LYS A 79 7.879 13.247 -1.197 1.00 0.00 C ATOM 1227 C LYS A 79 9.380 13.514 -1.155 1.00 0.00 C ATOM 1228 O LYS A 79 10.108 12.928 -1.983 1.00 0.00 O ATOM 1229 CB LYS A 79 7.341 13.069 0.227 1.00 0.00 C ATOM 1230 CG LYS A 79 5.827 13.196 0.332 1.00 0.00 C ATOM 1231 CD LYS A 79 5.419 14.127 1.465 1.00 0.00 C ATOM 1232 CE LYS A 79 6.015 15.517 1.288 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.224 15.716 2.135 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.815 14.308 -0.296 1.00 0.00 O ATOM 0 H LYS A 79 7.035 12.261 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 79 7.387 14.103 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.641 12.089 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.805 13.812 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.427 13.571 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.389 12.211 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.332 14.199 1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.746 13.708 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.277 15.669 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.267 16.268 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.069 16.519 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.403 14.856 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.045 15.912 1.527 1.00 0.00 H new TER 1248 LYS A 79