USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 70 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0.11) USER MOD Set 2.1: A 36 ASN : amide:sc= 0.274 K(o=0.48,f=-2.1!) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -118:sc= 0.203 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.72) USER MOD Single : A 25 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.183 F(o=-2.6!,f=0.18) USER MOD Single : A 53 TYR OH : rot 156:sc= 0.241 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 37:sc= 0.915 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 165:sc= -0.767 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 1.06 K(o=1.1,f=-0.045) USER MOD Single : A 84 TYR OH : rot 3:sc= 0.763 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 15 17.324 -14.092 -15.188 1.00 0.00 N ATOM 2 CA ASP A 15 17.298 -13.699 -13.765 1.00 0.00 C ATOM 3 C ASP A 15 17.613 -14.817 -12.750 1.00 0.00 C ATOM 4 O ASP A 15 17.305 -14.715 -11.569 1.00 0.00 O ATOM 5 CB ASP A 15 16.044 -12.858 -13.461 1.00 0.00 C ATOM 6 CG ASP A 15 14.743 -13.606 -13.755 1.00 0.00 C ATOM 7 OD1 ASP A 15 14.313 -14.382 -12.885 1.00 0.00 O ATOM 8 OD2 ASP A 15 14.196 -13.371 -14.865 1.00 0.00 O ATOM 0 HA ASP A 15 18.160 -13.051 -13.607 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.057 -12.560 -12.413 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.073 -11.943 -14.053 1.00 0.00 H new ATOM 13 N SER A 16 18.296 -15.861 -13.211 1.00 0.00 N ATOM 14 CA SER A 16 18.576 -17.115 -12.510 1.00 0.00 C ATOM 15 C SER A 16 20.058 -17.523 -12.570 1.00 0.00 C ATOM 16 O SER A 16 20.425 -18.604 -12.104 1.00 0.00 O ATOM 17 CB SER A 16 17.655 -18.236 -13.038 1.00 0.00 C ATOM 18 OG SER A 16 16.310 -17.901 -12.815 1.00 0.00 O ATOM 0 H SER A 16 18.697 -15.855 -14.149 1.00 0.00 H new ATOM 0 HA SER A 16 18.360 -16.950 -11.454 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.828 -18.388 -14.103 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.891 -19.176 -12.540 1.00 0.00 H new ATOM 0 HG SER A 16 15.734 -18.617 -13.155 1.00 0.00 H new ATOM 24 N VAL A 17 20.921 -16.665 -13.129 1.00 0.00 N ATOM 25 CA VAL A 17 22.335 -16.939 -13.388 1.00 0.00 C ATOM 26 C VAL A 17 23.203 -15.714 -13.137 1.00 0.00 C ATOM 27 O VAL A 17 22.700 -14.592 -13.119 1.00 0.00 O ATOM 28 CB VAL A 17 22.521 -17.430 -14.834 1.00 0.00 C ATOM 29 CG1 VAL A 17 21.556 -18.560 -15.202 1.00 0.00 C ATOM 30 CG2 VAL A 17 22.397 -16.315 -15.878 1.00 0.00 C ATOM 0 H VAL A 17 20.641 -15.729 -13.423 1.00 0.00 H new ATOM 0 HA VAL A 17 22.654 -17.718 -12.695 1.00 0.00 H new ATOM 0 HB VAL A 17 23.543 -17.809 -14.856 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.732 -18.867 -16.233 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.719 -19.409 -14.538 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.529 -18.210 -15.098 1.00 0.00 H new ATOM 0 HG21 VAL A 17 22.539 -16.732 -16.875 1.00 0.00 H new ATOM 0 HG22 VAL A 17 21.407 -15.863 -15.812 1.00 0.00 H new ATOM 0 HG23 VAL A 17 23.156 -15.556 -15.691 1.00 0.00 H new ATOM 40 N ILE A 18 24.514 -15.915 -12.991 1.00 0.00 N ATOM 41 CA ILE A 18 25.479 -14.846 -12.715 1.00 0.00 C ATOM 42 C ILE A 18 26.674 -14.951 -13.669 1.00 0.00 C ATOM 43 O ILE A 18 27.064 -16.044 -14.093 1.00 0.00 O ATOM 44 CB ILE A 18 25.904 -14.838 -11.223 1.00 0.00 C ATOM 45 CG1 ILE A 18 26.860 -15.993 -10.856 1.00 0.00 C ATOM 46 CG2 ILE A 18 24.668 -14.868 -10.299 1.00 0.00 C ATOM 47 CD1 ILE A 18 27.479 -15.857 -9.462 1.00 0.00 C ATOM 0 H ILE A 18 24.943 -16.838 -13.062 1.00 0.00 H new ATOM 0 HA ILE A 18 24.999 -13.885 -12.898 1.00 0.00 H new ATOM 0 HB ILE A 18 26.452 -13.908 -11.072 1.00 0.00 H new ATOM 0 HG12 ILE A 18 26.316 -16.936 -10.912 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.659 -16.041 -11.596 1.00 0.00 H new ATOM 0 HG21 ILE A 18 24.992 -14.862 -9.258 1.00 0.00 H new ATOM 0 HG22 ILE A 18 24.048 -13.992 -10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 18 24.090 -15.771 -10.494 1.00 0.00 H new ATOM 0 HD11 ILE A 18 28.139 -16.704 -9.273 1.00 0.00 H new ATOM 0 HD12 ILE A 18 28.051 -14.931 -9.407 1.00 0.00 H new ATOM 0 HD13 ILE A 18 26.688 -15.839 -8.713 1.00 0.00 H new ATOM 59 N VAL A 19 27.278 -13.804 -13.976 1.00 0.00 N ATOM 60 CA VAL A 19 28.488 -13.686 -14.785 1.00 0.00 C ATOM 61 C VAL A 19 29.429 -12.690 -14.126 1.00 0.00 C ATOM 62 O VAL A 19 29.034 -11.592 -13.737 1.00 0.00 O ATOM 63 CB VAL A 19 28.125 -13.274 -16.224 1.00 0.00 C ATOM 64 CG1 VAL A 19 29.348 -12.845 -17.034 1.00 0.00 C ATOM 65 CG2 VAL A 19 27.490 -14.460 -16.958 1.00 0.00 C ATOM 0 H VAL A 19 26.926 -12.901 -13.657 1.00 0.00 H new ATOM 0 HA VAL A 19 28.997 -14.648 -14.846 1.00 0.00 H new ATOM 0 HB VAL A 19 27.437 -12.432 -16.141 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.038 -12.565 -18.041 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.824 -11.992 -16.550 1.00 0.00 H new ATOM 0 HG13 VAL A 19 30.056 -13.672 -17.090 1.00 0.00 H new ATOM 0 HG21 VAL A 19 27.235 -14.164 -17.975 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.196 -15.290 -16.988 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.587 -14.771 -16.433 1.00 0.00 H new ATOM 75 N VAL A 20 30.691 -13.090 -14.014 1.00 0.00 N ATOM 76 CA VAL A 20 31.776 -12.269 -13.483 1.00 0.00 C ATOM 77 C VAL A 20 32.689 -11.826 -14.628 1.00 0.00 C ATOM 78 O VAL A 20 32.876 -12.546 -15.613 1.00 0.00 O ATOM 79 CB VAL A 20 32.559 -12.987 -12.348 1.00 0.00 C ATOM 80 CG1 VAL A 20 31.757 -14.080 -11.613 1.00 0.00 C ATOM 81 CG2 VAL A 20 33.908 -13.572 -12.785 1.00 0.00 C ATOM 0 H VAL A 20 30.997 -14.021 -14.298 1.00 0.00 H new ATOM 0 HA VAL A 20 31.344 -11.381 -13.021 1.00 0.00 H new ATOM 0 HB VAL A 20 32.746 -12.172 -11.649 1.00 0.00 H new ATOM 0 HG11 VAL A 20 32.379 -14.528 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 20 30.872 -13.637 -11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.453 -14.848 -12.324 1.00 0.00 H new ATOM 0 HG21 VAL A 20 34.388 -14.055 -11.934 1.00 0.00 H new ATOM 0 HG22 VAL A 20 33.748 -14.306 -13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 20 34.548 -12.772 -13.157 1.00 0.00 H new ATOM 91 N ASP A 21 33.319 -10.668 -14.438 1.00 0.00 N ATOM 92 CA ASP A 21 34.303 -10.111 -15.355 1.00 0.00 C ATOM 93 C ASP A 21 35.607 -9.756 -14.626 1.00 0.00 C ATOM 94 O ASP A 21 35.639 -9.679 -13.394 1.00 0.00 O ATOM 95 CB ASP A 21 33.672 -8.902 -16.072 1.00 0.00 C ATOM 96 CG ASP A 21 34.070 -8.870 -17.546 1.00 0.00 C ATOM 97 OD1 ASP A 21 35.294 -8.910 -17.799 1.00 0.00 O ATOM 98 OD2 ASP A 21 33.153 -8.831 -18.394 1.00 0.00 O ATOM 0 H ASP A 21 33.153 -10.080 -13.622 1.00 0.00 H new ATOM 0 HA ASP A 21 34.580 -10.853 -16.104 1.00 0.00 H new ATOM 0 HB2 ASP A 21 32.586 -8.950 -15.986 1.00 0.00 H new ATOM 0 HB3 ASP A 21 33.990 -7.980 -15.586 1.00 0.00 H new ATOM 103 N ASN A 22 36.663 -9.508 -15.409 1.00 0.00 N ATOM 104 CA ASN A 22 38.028 -9.228 -14.968 1.00 0.00 C ATOM 105 C ASN A 22 38.648 -10.383 -14.144 1.00 0.00 C ATOM 106 O ASN A 22 39.346 -10.138 -13.162 1.00 0.00 O ATOM 107 CB ASN A 22 38.032 -7.849 -14.272 1.00 0.00 C ATOM 108 CG ASN A 22 39.425 -7.290 -14.021 1.00 0.00 C ATOM 109 OD1 ASN A 22 40.380 -7.546 -14.738 1.00 0.00 O ATOM 110 ND2 ASN A 22 39.615 -6.495 -12.993 1.00 0.00 N ATOM 0 H ASN A 22 36.580 -9.497 -16.426 1.00 0.00 H new ATOM 0 HA ASN A 22 38.697 -9.172 -15.826 1.00 0.00 H new ATOM 0 HB2 ASN A 22 37.472 -7.142 -14.884 1.00 0.00 H new ATOM 0 HB3 ASN A 22 37.507 -7.932 -13.320 1.00 0.00 H new ATOM 0 HD21 ASN A 22 40.542 -6.109 -12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 22 38.836 -6.263 -12.377 1.00 0.00 H new ATOM 117 N VAL A 23 38.391 -11.640 -14.546 1.00 0.00 N ATOM 118 CA VAL A 23 38.894 -12.869 -13.901 1.00 0.00 C ATOM 119 C VAL A 23 39.959 -13.576 -14.758 1.00 0.00 C ATOM 120 O VAL A 23 39.662 -14.542 -15.463 1.00 0.00 O ATOM 121 CB VAL A 23 37.743 -13.764 -13.371 1.00 0.00 C ATOM 122 CG1 VAL A 23 36.740 -14.197 -14.438 1.00 0.00 C ATOM 123 CG2 VAL A 23 38.279 -15.023 -12.676 1.00 0.00 C ATOM 0 H VAL A 23 37.806 -11.837 -15.358 1.00 0.00 H new ATOM 0 HA VAL A 23 39.435 -12.587 -12.998 1.00 0.00 H new ATOM 0 HB VAL A 23 37.217 -13.126 -12.660 1.00 0.00 H new ATOM 0 HG11 VAL A 23 35.970 -14.819 -13.982 1.00 0.00 H new ATOM 0 HG12 VAL A 23 36.278 -13.315 -14.883 1.00 0.00 H new ATOM 0 HG13 VAL A 23 37.255 -14.766 -15.212 1.00 0.00 H new ATOM 0 HG21 VAL A 23 37.444 -15.625 -12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 23 38.869 -15.606 -13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 23 38.906 -14.734 -11.832 1.00 0.00 H new ATOM 133 N PRO A 24 41.225 -13.104 -14.719 1.00 0.00 N ATOM 134 CA PRO A 24 42.317 -13.766 -15.419 1.00 0.00 C ATOM 135 C PRO A 24 42.611 -15.137 -14.804 1.00 0.00 C ATOM 136 O PRO A 24 42.569 -15.309 -13.585 1.00 0.00 O ATOM 137 CB PRO A 24 43.518 -12.818 -15.346 1.00 0.00 C ATOM 138 CG PRO A 24 43.253 -12.016 -14.075 1.00 0.00 C ATOM 139 CD PRO A 24 41.729 -11.922 -14.033 1.00 0.00 C ATOM 0 HA PRO A 24 42.064 -13.965 -16.460 1.00 0.00 H new ATOM 0 HB2 PRO A 24 44.459 -13.364 -15.288 1.00 0.00 H new ATOM 0 HB3 PRO A 24 43.577 -12.174 -16.224 1.00 0.00 H new ATOM 0 HG2 PRO A 24 43.650 -12.517 -13.192 1.00 0.00 H new ATOM 0 HG3 PRO A 24 43.716 -11.030 -14.117 1.00 0.00 H new ATOM 0 HD2 PRO A 24 41.370 -11.887 -13.004 1.00 0.00 H new ATOM 0 HD3 PRO A 24 41.382 -11.012 -14.522 1.00 0.00 H new ATOM 147 N GLN A 25 42.935 -16.114 -15.654 1.00 0.00 N ATOM 148 CA GLN A 25 43.440 -17.423 -15.214 1.00 0.00 C ATOM 149 C GLN A 25 44.804 -17.297 -14.506 1.00 0.00 C ATOM 150 O GLN A 25 45.498 -16.292 -14.657 1.00 0.00 O ATOM 151 CB GLN A 25 43.527 -18.363 -16.429 1.00 0.00 C ATOM 152 CG GLN A 25 43.089 -19.817 -16.174 1.00 0.00 C ATOM 153 CD GLN A 25 44.209 -20.833 -16.000 1.00 0.00 C ATOM 154 OE1 GLN A 25 44.234 -21.556 -15.019 1.00 0.00 O ATOM 155 NE2 GLN A 25 45.107 -20.973 -16.955 1.00 0.00 N ATOM 0 H GLN A 25 42.856 -16.023 -16.667 1.00 0.00 H new ATOM 0 HA GLN A 25 42.747 -17.841 -14.484 1.00 0.00 H new ATOM 0 HB2 GLN A 25 42.912 -17.952 -17.230 1.00 0.00 H new ATOM 0 HB3 GLN A 25 44.556 -18.369 -16.789 1.00 0.00 H new ATOM 0 HG2 GLN A 25 42.467 -19.836 -15.279 1.00 0.00 H new ATOM 0 HG3 GLN A 25 42.461 -20.137 -17.006 1.00 0.00 H new ATOM 0 HE21 GLN A 25 45.080 -20.365 -17.773 1.00 0.00 H new ATOM 0 HE22 GLN A 25 45.828 -21.690 -16.876 1.00 0.00 H new ATOM 164 N VAL A 26 45.207 -18.335 -13.759 1.00 0.00 N ATOM 165 CA VAL A 26 46.413 -18.348 -12.916 1.00 0.00 C ATOM 166 C VAL A 26 47.216 -19.636 -13.128 1.00 0.00 C ATOM 167 O VAL A 26 46.778 -20.551 -13.818 1.00 0.00 O ATOM 168 CB VAL A 26 46.045 -18.170 -11.424 1.00 0.00 C ATOM 169 CG1 VAL A 26 45.318 -16.846 -11.153 1.00 0.00 C ATOM 170 CG2 VAL A 26 45.226 -19.361 -10.905 1.00 0.00 C ATOM 0 H VAL A 26 44.689 -19.213 -13.723 1.00 0.00 H new ATOM 0 HA VAL A 26 47.039 -17.507 -13.213 1.00 0.00 H new ATOM 0 HB VAL A 26 46.985 -18.136 -10.874 1.00 0.00 H new ATOM 0 HG11 VAL A 26 45.082 -16.771 -10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 26 45.959 -16.013 -11.442 1.00 0.00 H new ATOM 0 HG13 VAL A 26 44.395 -16.812 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 26 44.983 -19.205 -9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 26 44.305 -19.448 -11.481 1.00 0.00 H new ATOM 0 HG23 VAL A 26 45.808 -20.277 -11.011 1.00 0.00 H new ATOM 180 N GLY A 27 48.405 -19.707 -12.530 1.00 0.00 N ATOM 181 CA GLY A 27 49.270 -20.885 -12.605 1.00 0.00 C ATOM 182 C GLY A 27 48.801 -22.078 -11.747 1.00 0.00 C ATOM 183 O GLY A 27 47.741 -22.034 -11.105 1.00 0.00 O ATOM 0 H GLY A 27 48.798 -18.945 -11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 27 49.337 -21.205 -13.645 1.00 0.00 H new ATOM 0 HA3 GLY A 27 50.275 -20.602 -12.293 1.00 0.00 H new ATOM 187 N PRO A 28 49.602 -23.165 -11.725 1.00 0.00 N ATOM 188 CA PRO A 28 49.333 -24.347 -10.913 1.00 0.00 C ATOM 189 C PRO A 28 49.338 -24.006 -9.419 1.00 0.00 C ATOM 190 O PRO A 28 49.719 -22.912 -9.012 1.00 0.00 O ATOM 191 CB PRO A 28 50.401 -25.378 -11.290 1.00 0.00 C ATOM 192 CG PRO A 28 51.568 -24.506 -11.739 1.00 0.00 C ATOM 193 CD PRO A 28 50.881 -23.314 -12.404 1.00 0.00 C ATOM 0 HA PRO A 28 48.339 -24.751 -11.106 1.00 0.00 H new ATOM 0 HB2 PRO A 28 50.670 -26.010 -10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 28 50.061 -26.040 -12.086 1.00 0.00 H new ATOM 0 HG2 PRO A 28 52.186 -24.195 -10.896 1.00 0.00 H new ATOM 0 HG3 PRO A 28 52.220 -25.034 -12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 28 51.483 -22.411 -12.306 1.00 0.00 H new ATOM 0 HD3 PRO A 28 50.740 -23.489 -13.471 1.00 0.00 H new ATOM 201 N ASP A 29 48.882 -24.951 -8.591 1.00 0.00 N ATOM 202 CA ASP A 29 48.745 -24.813 -7.128 1.00 0.00 C ATOM 203 C ASP A 29 47.722 -23.740 -6.704 1.00 0.00 C ATOM 204 O ASP A 29 47.517 -23.524 -5.513 1.00 0.00 O ATOM 205 CB ASP A 29 50.139 -24.616 -6.489 1.00 0.00 C ATOM 206 CG ASP A 29 50.220 -25.094 -5.042 1.00 0.00 C ATOM 207 OD1 ASP A 29 49.916 -26.285 -4.823 1.00 0.00 O ATOM 208 OD2 ASP A 29 50.631 -24.285 -4.186 1.00 0.00 O ATOM 0 H ASP A 29 48.586 -25.867 -8.928 1.00 0.00 H new ATOM 0 HA ASP A 29 48.324 -25.741 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 29 50.880 -25.152 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 29 50.402 -23.559 -6.529 1.00 0.00 H new ATOM 213 N ARG A 30 47.038 -23.096 -7.663 1.00 0.00 N ATOM 214 CA ARG A 30 46.017 -22.054 -7.462 1.00 0.00 C ATOM 215 C ARG A 30 44.848 -22.133 -8.455 1.00 0.00 C ATOM 216 O ARG A 30 43.734 -21.771 -8.087 1.00 0.00 O ATOM 217 CB ARG A 30 46.716 -20.683 -7.493 1.00 0.00 C ATOM 218 CG ARG A 30 45.765 -19.494 -7.228 1.00 0.00 C ATOM 219 CD ARG A 30 46.255 -18.534 -6.143 1.00 0.00 C ATOM 220 NE ARG A 30 47.419 -17.751 -6.590 1.00 0.00 N ATOM 221 CZ ARG A 30 48.057 -16.847 -5.857 1.00 0.00 C ATOM 222 NH1 ARG A 30 47.745 -16.621 -4.601 1.00 0.00 N ATOM 223 NH2 ARG A 30 49.033 -16.143 -6.384 1.00 0.00 N ATOM 0 H ARG A 30 47.190 -23.298 -8.651 1.00 0.00 H new ATOM 0 HA ARG A 30 45.550 -22.213 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 30 47.511 -20.674 -6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 30 47.189 -20.548 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 30 45.628 -18.938 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 30 44.787 -19.881 -6.941 1.00 0.00 H new ATOM 0 HD2 ARG A 30 45.447 -17.857 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 46.519 -19.100 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 30 47.762 -17.916 -7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 30 46.991 -17.148 -4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 30 48.256 -15.918 -4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 30 49.301 -16.291 -7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 30 49.523 -15.448 -5.820 1.00 0.00 H new ATOM 237 N LEU A 31 45.040 -22.642 -9.677 1.00 0.00 N ATOM 238 CA LEU A 31 43.964 -22.764 -10.671 1.00 0.00 C ATOM 239 C LEU A 31 42.685 -23.468 -10.170 1.00 0.00 C ATOM 240 O LEU A 31 41.582 -23.107 -10.570 1.00 0.00 O ATOM 241 CB LEU A 31 44.495 -23.411 -11.960 1.00 0.00 C ATOM 242 CG LEU A 31 44.614 -24.953 -11.956 1.00 0.00 C ATOM 243 CD1 LEU A 31 45.124 -25.416 -13.320 1.00 0.00 C ATOM 244 CD2 LEU A 31 45.570 -25.491 -10.883 1.00 0.00 C ATOM 0 H LEU A 31 45.944 -22.981 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 31 43.644 -21.743 -10.879 1.00 0.00 H new ATOM 0 HB2 LEU A 31 43.841 -23.121 -12.782 1.00 0.00 H new ATOM 0 HB3 LEU A 31 45.479 -22.993 -12.172 1.00 0.00 H new ATOM 0 HG LEU A 31 43.620 -25.341 -11.735 1.00 0.00 H new ATOM 0 HD11 LEU A 31 45.211 -26.503 -13.326 1.00 0.00 H new ATOM 0 HD12 LEU A 31 44.424 -25.104 -14.095 1.00 0.00 H new ATOM 0 HD13 LEU A 31 46.101 -24.973 -13.513 1.00 0.00 H new ATOM 0 HD21 LEU A 31 45.604 -26.579 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 31 46.569 -25.088 -11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 31 45.217 -25.189 -9.897 1.00 0.00 H new ATOM 256 N GLU A 32 42.828 -24.447 -9.270 1.00 0.00 N ATOM 257 CA GLU A 32 41.725 -25.202 -8.669 1.00 0.00 C ATOM 258 C GLU A 32 40.907 -24.305 -7.739 1.00 0.00 C ATOM 259 O GLU A 32 39.673 -24.319 -7.787 1.00 0.00 O ATOM 260 CB GLU A 32 42.274 -26.398 -7.870 1.00 0.00 C ATOM 261 CG GLU A 32 43.060 -27.416 -8.722 1.00 0.00 C ATOM 262 CD GLU A 32 42.347 -28.769 -8.814 1.00 0.00 C ATOM 263 OE1 GLU A 32 42.167 -29.393 -7.745 1.00 0.00 O ATOM 264 OE2 GLU A 32 41.971 -29.147 -9.946 1.00 0.00 O ATOM 0 H GLU A 32 43.743 -24.744 -8.930 1.00 0.00 H new ATOM 0 HA GLU A 32 41.083 -25.565 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 32 42.923 -26.025 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 32 41.443 -26.910 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 32 43.203 -27.014 -9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 32 44.051 -27.558 -8.292 1.00 0.00 H new ATOM 271 N LYS A 33 41.611 -23.492 -6.932 1.00 0.00 N ATOM 272 CA LYS A 33 41.057 -22.466 -6.047 1.00 0.00 C ATOM 273 C LYS A 33 40.109 -21.548 -6.814 1.00 0.00 C ATOM 274 O LYS A 33 39.053 -21.262 -6.272 1.00 0.00 O ATOM 275 CB LYS A 33 42.170 -21.692 -5.296 1.00 0.00 C ATOM 276 CG LYS A 33 42.175 -21.933 -3.776 1.00 0.00 C ATOM 277 CD LYS A 33 42.445 -23.400 -3.410 1.00 0.00 C ATOM 278 CE LYS A 33 42.861 -23.534 -1.946 1.00 0.00 C ATOM 279 NZ LYS A 33 44.286 -23.217 -1.732 1.00 0.00 N ATOM 0 H LYS A 33 42.629 -23.539 -6.881 1.00 0.00 H new ATOM 0 HA LYS A 33 40.468 -22.962 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.139 -21.980 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.049 -20.625 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.935 -21.302 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.214 -21.630 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 33 41.550 -23.994 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.230 -23.800 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 33 42.249 -22.870 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.664 -24.551 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.518 -23.323 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.874 -23.866 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.472 -22.238 -2.029 1.00 0.00 H new ATOM 293 N LEU A 34 40.398 -21.180 -8.072 1.00 0.00 N ATOM 294 CA LEU A 34 39.531 -20.318 -8.893 1.00 0.00 C ATOM 295 C LEU A 34 38.077 -20.809 -8.981 1.00 0.00 C ATOM 296 O LEU A 34 37.157 -19.998 -8.889 1.00 0.00 O ATOM 297 CB LEU A 34 40.062 -20.168 -10.326 1.00 0.00 C ATOM 298 CG LEU A 34 41.461 -19.557 -10.502 1.00 0.00 C ATOM 299 CD1 LEU A 34 41.746 -19.465 -12.008 1.00 0.00 C ATOM 300 CD2 LEU A 34 41.570 -18.165 -9.875 1.00 0.00 C ATOM 0 H LEU A 34 41.248 -21.475 -8.553 1.00 0.00 H new ATOM 0 HA LEU A 34 39.545 -19.358 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 34 40.065 -21.155 -10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 34 39.354 -19.556 -10.885 1.00 0.00 H new ATOM 0 HG LEU A 34 42.187 -20.192 -9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 42.735 -19.034 -12.166 1.00 0.00 H new ATOM 0 HD12 LEU A 34 41.711 -20.462 -12.447 1.00 0.00 H new ATOM 0 HD13 LEU A 34 40.995 -18.833 -12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 34 42.577 -17.776 -10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 34 40.849 -17.497 -10.345 1.00 0.00 H new ATOM 0 HD23 LEU A 34 41.362 -18.230 -8.807 1.00 0.00 H new ATOM 312 N LYS A 35 37.854 -22.116 -9.174 1.00 0.00 N ATOM 313 CA LYS A 35 36.514 -22.720 -9.202 1.00 0.00 C ATOM 314 C LYS A 35 36.077 -23.217 -7.821 1.00 0.00 C ATOM 315 O LYS A 35 34.888 -23.178 -7.512 1.00 0.00 O ATOM 316 CB LYS A 35 36.466 -23.764 -10.329 1.00 0.00 C ATOM 317 CG LYS A 35 35.103 -24.456 -10.518 1.00 0.00 C ATOM 318 CD LYS A 35 34.885 -25.654 -9.575 1.00 0.00 C ATOM 319 CE LYS A 35 34.412 -26.897 -10.337 1.00 0.00 C ATOM 320 NZ LYS A 35 34.345 -28.065 -9.438 1.00 0.00 N ATOM 0 H LYS A 35 38.606 -22.791 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 35 35.761 -21.969 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 35 36.743 -23.279 -11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 35 37.219 -24.526 -10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 35 34.309 -23.727 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 35 35.017 -24.796 -11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 35 35.815 -25.879 -9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.148 -25.390 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.431 -26.711 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 35 35.093 -27.105 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.023 -28.897 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.288 -28.252 -9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 33.677 -27.870 -8.665 1.00 0.00 H new ATOM 334 N ASN A 36 37.018 -23.594 -6.953 1.00 0.00 N ATOM 335 CA ASN A 36 36.726 -23.952 -5.568 1.00 0.00 C ATOM 336 C ASN A 36 36.129 -22.771 -4.795 1.00 0.00 C ATOM 337 O ASN A 36 34.988 -22.871 -4.346 1.00 0.00 O ATOM 338 CB ASN A 36 37.984 -24.515 -4.875 1.00 0.00 C ATOM 339 CG ASN A 36 37.861 -26.007 -4.635 1.00 0.00 C ATOM 340 OD1 ASN A 36 37.530 -26.450 -3.548 1.00 0.00 O ATOM 341 ND2 ASN A 36 38.074 -26.808 -5.660 1.00 0.00 N ATOM 0 H ASN A 36 38.007 -23.659 -7.194 1.00 0.00 H new ATOM 0 HA ASN A 36 35.970 -24.738 -5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 36 38.861 -24.315 -5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 36 38.138 -24.003 -3.925 1.00 0.00 H new ATOM 0 HD21 ASN A 36 37.962 -27.816 -5.551 1.00 0.00 H new ATOM 0 HD22 ASN A 36 38.350 -26.420 -6.562 1.00 0.00 H new ATOM 348 N VAL A 37 36.869 -21.659 -4.650 1.00 0.00 N ATOM 349 CA VAL A 37 36.480 -20.484 -3.847 1.00 0.00 C ATOM 350 C VAL A 37 35.113 -19.960 -4.256 1.00 0.00 C ATOM 351 O VAL A 37 34.346 -19.591 -3.374 1.00 0.00 O ATOM 352 CB VAL A 37 37.520 -19.337 -3.845 1.00 0.00 C ATOM 353 CG1 VAL A 37 38.886 -19.800 -3.314 1.00 0.00 C ATOM 354 CG2 VAL A 37 37.658 -18.571 -5.170 1.00 0.00 C ATOM 0 H VAL A 37 37.778 -21.548 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 37 36.434 -20.849 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 37 37.108 -18.607 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 37 39.585 -18.964 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 37 38.776 -20.161 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 37 39.267 -20.604 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 37 38.411 -17.790 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 37 37.960 -19.260 -5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 37 36.701 -18.119 -5.430 1.00 0.00 H new ATOM 364 N ILE A 38 34.778 -20.037 -5.555 1.00 0.00 N ATOM 365 CA ILE A 38 33.443 -19.793 -6.107 1.00 0.00 C ATOM 366 C ILE A 38 32.391 -20.537 -5.279 1.00 0.00 C ATOM 367 O ILE A 38 31.492 -19.902 -4.731 1.00 0.00 O ATOM 368 CB ILE A 38 33.418 -20.084 -7.641 1.00 0.00 C ATOM 369 CG1 ILE A 38 33.410 -18.759 -8.430 1.00 0.00 C ATOM 370 CG2 ILE A 38 32.211 -20.910 -8.131 1.00 0.00 C ATOM 371 CD1 ILE A 38 34.722 -17.976 -8.398 1.00 0.00 C ATOM 0 H ILE A 38 35.459 -20.281 -6.274 1.00 0.00 H new ATOM 0 HA ILE A 38 33.181 -18.738 -6.025 1.00 0.00 H new ATOM 0 HB ILE A 38 34.315 -20.677 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 38 33.159 -18.974 -9.469 1.00 0.00 H new ATOM 0 HG13 ILE A 38 32.617 -18.124 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 38 32.285 -21.058 -9.208 1.00 0.00 H new ATOM 0 HG22 ILE A 38 32.206 -21.878 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 38 31.288 -20.378 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 38 34.614 -17.062 -8.981 1.00 0.00 H new ATOM 0 HD12 ILE A 38 34.969 -17.722 -7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 38 35.520 -18.585 -8.823 1.00 0.00 H new ATOM 383 N HIS A 39 32.525 -21.860 -5.114 1.00 0.00 N ATOM 384 CA HIS A 39 31.556 -22.668 -4.371 1.00 0.00 C ATOM 385 C HIS A 39 31.479 -22.272 -2.905 1.00 0.00 C ATOM 386 O HIS A 39 30.386 -22.297 -2.356 1.00 0.00 O ATOM 387 CB HIS A 39 31.790 -24.176 -4.556 1.00 0.00 C ATOM 388 CG HIS A 39 31.230 -24.695 -5.863 1.00 0.00 C ATOM 389 ND1 HIS A 39 30.057 -25.422 -5.996 1.00 0.00 N ATOM 390 CD2 HIS A 39 31.756 -24.512 -7.106 1.00 0.00 C ATOM 391 CE1 HIS A 39 29.880 -25.662 -7.311 1.00 0.00 C ATOM 392 NE2 HIS A 39 30.892 -25.110 -8.005 1.00 0.00 N ATOM 0 H HIS A 39 33.306 -22.396 -5.491 1.00 0.00 H new ATOM 0 HA HIS A 39 30.578 -22.452 -4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 39 32.860 -24.382 -4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 39 31.330 -24.716 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 39 32.675 -23.997 -7.345 1.00 0.00 H new ATOM 0 HE1 HIS A 39 29.055 -26.211 -7.740 1.00 0.00 H new ATOM 0 HE2 HIS A 39 31.003 -25.129 -9.019 1.00 0.00 H new ATOM 401 N LYS A 40 32.591 -21.856 -2.289 1.00 0.00 N ATOM 402 CA LYS A 40 32.625 -21.414 -0.888 1.00 0.00 C ATOM 403 C LYS A 40 31.945 -20.061 -0.716 1.00 0.00 C ATOM 404 O LYS A 40 31.017 -19.955 0.082 1.00 0.00 O ATOM 405 CB LYS A 40 34.053 -21.364 -0.333 1.00 0.00 C ATOM 406 CG LYS A 40 34.666 -22.746 -0.083 1.00 0.00 C ATOM 407 CD LYS A 40 35.092 -23.467 -1.367 1.00 0.00 C ATOM 408 CE LYS A 40 36.018 -24.658 -1.123 1.00 0.00 C ATOM 409 NZ LYS A 40 35.374 -25.941 -1.451 1.00 0.00 N ATOM 0 H LYS A 40 33.500 -21.816 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 40 32.071 -22.157 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 40 34.686 -20.817 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 40 34.051 -20.803 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 40 35.533 -22.638 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 40 33.943 -23.365 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 40 34.201 -23.812 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 40 35.594 -22.756 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 40 36.921 -24.543 -1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 40 36.329 -24.666 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 35.313 -26.528 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.417 -25.765 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.936 -26.437 -2.172 1.00 0.00 H new ATOM 423 N ILE A 41 32.355 -19.041 -1.478 1.00 0.00 N ATOM 424 CA ILE A 41 31.747 -17.711 -1.376 1.00 0.00 C ATOM 425 C ILE A 41 30.252 -17.761 -1.648 1.00 0.00 C ATOM 426 O ILE A 41 29.475 -17.132 -0.938 1.00 0.00 O ATOM 427 CB ILE A 41 32.428 -16.674 -2.284 1.00 0.00 C ATOM 428 CG1 ILE A 41 31.928 -15.256 -1.947 1.00 0.00 C ATOM 429 CG2 ILE A 41 32.338 -16.914 -3.798 1.00 0.00 C ATOM 430 CD1 ILE A 41 30.759 -14.677 -2.747 1.00 0.00 C ATOM 0 H ILE A 41 33.102 -19.111 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 41 31.901 -17.385 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 41 33.488 -16.789 -2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 41 31.644 -15.248 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 41 32.772 -14.574 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 41 32.857 -16.113 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 41 32.802 -17.870 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 41 31.291 -16.930 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 41 30.532 -13.674 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 41 31.028 -14.630 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 41 29.883 -15.314 -2.624 1.00 0.00 H new ATOM 442 N PHE A 42 29.850 -18.529 -2.659 1.00 0.00 N ATOM 443 CA PHE A 42 28.463 -18.619 -3.063 1.00 0.00 C ATOM 444 C PHE A 42 27.650 -19.637 -2.250 1.00 0.00 C ATOM 445 O PHE A 42 26.441 -19.724 -2.449 1.00 0.00 O ATOM 446 CB PHE A 42 28.412 -18.814 -4.583 1.00 0.00 C ATOM 447 CG PHE A 42 28.844 -17.587 -5.385 1.00 0.00 C ATOM 448 CD1 PHE A 42 28.220 -16.343 -5.162 1.00 0.00 C ATOM 449 CD2 PHE A 42 29.815 -17.684 -6.403 1.00 0.00 C ATOM 450 CE1 PHE A 42 28.566 -15.218 -5.918 1.00 0.00 C ATOM 451 CE2 PHE A 42 30.173 -16.549 -7.155 1.00 0.00 C ATOM 452 CZ PHE A 42 29.558 -15.310 -6.901 1.00 0.00 C ATOM 0 H PHE A 42 30.483 -19.103 -3.216 1.00 0.00 H new ATOM 0 HA PHE A 42 27.955 -17.684 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 42 29.052 -19.654 -4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 42 27.395 -19.083 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 42 27.463 -16.257 -4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 42 30.287 -18.634 -6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 42 28.067 -14.277 -5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 42 30.922 -16.630 -7.929 1.00 0.00 H new ATOM 0 HZ PHE A 42 29.850 -14.434 -7.462 1.00 0.00 H new ATOM 462 N SER A 43 28.275 -20.341 -1.299 1.00 0.00 N ATOM 463 CA SER A 43 27.626 -21.327 -0.436 1.00 0.00 C ATOM 464 C SER A 43 26.736 -20.693 0.643 1.00 0.00 C ATOM 465 O SER A 43 25.781 -21.332 1.076 1.00 0.00 O ATOM 466 CB SER A 43 28.634 -22.263 0.259 1.00 0.00 C ATOM 467 OG SER A 43 28.271 -23.601 -0.024 1.00 0.00 O ATOM 0 H SER A 43 29.271 -20.236 -1.106 1.00 0.00 H new ATOM 0 HA SER A 43 27.001 -21.906 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 43 29.645 -22.061 -0.095 1.00 0.00 H new ATOM 0 HB3 SER A 43 28.633 -22.089 1.335 1.00 0.00 H new ATOM 0 HG SER A 43 28.904 -24.210 0.410 1.00 0.00 H new ATOM 473 N LYS A 44 27.010 -19.456 1.093 1.00 0.00 N ATOM 474 CA LYS A 44 26.152 -18.786 2.093 1.00 0.00 C ATOM 475 C LYS A 44 24.761 -18.435 1.547 1.00 0.00 C ATOM 476 O LYS A 44 23.815 -18.334 2.323 1.00 0.00 O ATOM 477 CB LYS A 44 26.820 -17.546 2.719 1.00 0.00 C ATOM 478 CG LYS A 44 27.451 -16.613 1.682 1.00 0.00 C ATOM 479 CD LYS A 44 27.867 -15.255 2.266 1.00 0.00 C ATOM 480 CE LYS A 44 29.053 -14.696 1.465 1.00 0.00 C ATOM 481 NZ LYS A 44 30.337 -15.073 2.086 1.00 0.00 N ATOM 0 H LYS A 44 27.810 -18.902 0.786 1.00 0.00 H new ATOM 0 HA LYS A 44 26.016 -19.521 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.077 -16.992 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.588 -17.871 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 44 28.326 -17.099 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 44 26.743 -16.451 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.029 -14.559 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.143 -15.367 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.015 -15.072 0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.978 -13.610 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.121 -14.683 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 30.380 -14.693 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.416 -16.109 2.118 1.00 0.00 H new ATOM 495 N PHE A 45 24.632 -18.276 0.225 1.00 0.00 N ATOM 496 CA PHE A 45 23.372 -17.942 -0.448 1.00 0.00 C ATOM 497 C PHE A 45 22.602 -19.183 -0.934 1.00 0.00 C ATOM 498 O PHE A 45 21.452 -19.056 -1.354 1.00 0.00 O ATOM 499 CB PHE A 45 23.639 -16.998 -1.631 1.00 0.00 C ATOM 500 CG PHE A 45 24.756 -15.993 -1.414 1.00 0.00 C ATOM 501 CD1 PHE A 45 24.646 -14.967 -0.453 1.00 0.00 C ATOM 502 CD2 PHE A 45 25.942 -16.115 -2.154 1.00 0.00 C ATOM 503 CE1 PHE A 45 25.704 -14.065 -0.255 1.00 0.00 C ATOM 504 CE2 PHE A 45 27.003 -15.218 -1.949 1.00 0.00 C ATOM 505 CZ PHE A 45 26.887 -14.187 -1.007 1.00 0.00 C ATOM 0 H PHE A 45 25.416 -18.378 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 45 22.743 -17.447 0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.877 -17.599 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.721 -16.455 -1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.744 -14.874 0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.039 -16.903 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.609 -13.276 0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 45 27.913 -15.323 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 45 27.700 -13.491 -0.859 1.00 0.00 H new ATOM 515 N GLY A 46 23.219 -20.373 -0.900 1.00 0.00 N ATOM 516 CA GLY A 46 22.633 -21.613 -1.404 1.00 0.00 C ATOM 517 C GLY A 46 23.690 -22.581 -1.938 1.00 0.00 C ATOM 518 O GLY A 46 24.771 -22.715 -1.372 1.00 0.00 O ATOM 0 H GLY A 46 24.155 -20.498 -0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.071 -22.097 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.923 -21.380 -2.198 1.00 0.00 H new ATOM 522 N LYS A 47 23.365 -23.290 -3.023 1.00 0.00 N ATOM 523 CA LYS A 47 24.263 -24.227 -3.704 1.00 0.00 C ATOM 524 C LYS A 47 24.192 -24.005 -5.218 1.00 0.00 C ATOM 525 O LYS A 47 23.107 -23.909 -5.792 1.00 0.00 O ATOM 526 CB LYS A 47 23.895 -25.656 -3.274 1.00 0.00 C ATOM 527 CG LYS A 47 24.759 -26.763 -3.907 1.00 0.00 C ATOM 528 CD LYS A 47 26.274 -26.701 -3.651 1.00 0.00 C ATOM 529 CE LYS A 47 26.641 -26.670 -2.160 1.00 0.00 C ATOM 530 NZ LYS A 47 27.699 -27.648 -1.832 1.00 0.00 N ATOM 0 H LYS A 47 22.447 -23.227 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 47 25.302 -24.059 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.976 -25.726 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 47 22.851 -25.839 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.394 -27.725 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 47 24.597 -26.744 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.749 -27.565 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 47 26.681 -25.814 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 47 26.976 -25.669 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 47 25.754 -26.881 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 27.918 -27.595 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 27.370 -28.607 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 28.555 -27.431 -2.382 1.00 0.00 H new ATOM 544 N ILE A 48 25.363 -23.891 -5.846 1.00 0.00 N ATOM 545 CA ILE A 48 25.522 -23.764 -7.296 1.00 0.00 C ATOM 546 C ILE A 48 25.448 -25.164 -7.917 1.00 0.00 C ATOM 547 O ILE A 48 26.177 -26.062 -7.493 1.00 0.00 O ATOM 548 CB ILE A 48 26.859 -23.083 -7.657 1.00 0.00 C ATOM 549 CG1 ILE A 48 27.131 -21.828 -6.802 1.00 0.00 C ATOM 550 CG2 ILE A 48 26.866 -22.682 -9.135 1.00 0.00 C ATOM 551 CD1 ILE A 48 28.089 -22.137 -5.653 1.00 0.00 C ATOM 0 H ILE A 48 26.252 -23.884 -5.346 1.00 0.00 H new ATOM 0 HA ILE A 48 24.724 -23.136 -7.691 1.00 0.00 H new ATOM 0 HB ILE A 48 27.645 -23.810 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 48 27.553 -21.042 -7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 48 26.191 -21.447 -6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 48 27.814 -22.203 -9.377 1.00 0.00 H new ATOM 0 HG22 ILE A 48 26.740 -23.571 -9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 48 26.049 -21.987 -9.327 1.00 0.00 H new ATOM 0 HD11 ILE A 48 28.261 -21.233 -5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 48 27.654 -22.905 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 48 29.037 -22.494 -6.056 1.00 0.00 H new ATOM 563 N THR A 49 24.572 -25.341 -8.910 1.00 0.00 N ATOM 564 CA THR A 49 24.381 -26.607 -9.637 1.00 0.00 C ATOM 565 C THR A 49 25.141 -26.656 -10.972 1.00 0.00 C ATOM 566 O THR A 49 25.634 -27.712 -11.358 1.00 0.00 O ATOM 567 CB THR A 49 22.877 -26.884 -9.833 1.00 0.00 C ATOM 568 OG1 THR A 49 22.699 -28.003 -10.667 1.00 0.00 O ATOM 569 CG2 THR A 49 22.081 -25.706 -10.412 1.00 0.00 C ATOM 0 H THR A 49 23.961 -24.594 -9.241 1.00 0.00 H new ATOM 0 HA THR A 49 24.810 -27.399 -9.024 1.00 0.00 H new ATOM 0 HB THR A 49 22.485 -27.064 -8.832 1.00 0.00 H new ATOM 0 HG1 THR A 49 21.741 -28.174 -10.786 1.00 0.00 H new ATOM 0 HG21 THR A 49 21.034 -25.990 -10.516 1.00 0.00 H new ATOM 0 HG22 THR A 49 22.160 -24.849 -9.742 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.483 -25.441 -11.390 1.00 0.00 H new ATOM 577 N ASN A 50 25.287 -25.518 -11.660 1.00 0.00 N ATOM 578 CA ASN A 50 25.993 -25.395 -12.937 1.00 0.00 C ATOM 579 C ASN A 50 27.372 -24.744 -12.748 1.00 0.00 C ATOM 580 O ASN A 50 27.622 -24.104 -11.733 1.00 0.00 O ATOM 581 CB ASN A 50 25.132 -24.502 -13.836 1.00 0.00 C ATOM 582 CG ASN A 50 24.002 -25.223 -14.545 1.00 0.00 C ATOM 583 OD1 ASN A 50 22.887 -25.457 -13.884 1.00 0.00 O flip ATOM 584 ND2 ASN A 50 24.099 -25.547 -15.715 1.00 0.00 N flip ATOM 0 H ASN A 50 24.905 -24.631 -11.332 1.00 0.00 H new ATOM 0 HA ASN A 50 26.150 -26.381 -13.373 1.00 0.00 H new ATOM 0 HB2 ASN A 50 24.710 -23.699 -13.231 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.773 -24.035 -14.584 1.00 0.00 H new ATOM 0 HD21 ASN A 50 24.964 -25.365 -16.225 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.316 -26.001 -16.185 1.00 0.00 H new ATOM 591 N ASP A 51 28.256 -24.833 -13.747 1.00 0.00 N ATOM 592 CA ASP A 51 29.558 -24.153 -13.748 1.00 0.00 C ATOM 593 C ASP A 51 30.223 -24.190 -15.132 1.00 0.00 C ATOM 594 O ASP A 51 30.404 -25.261 -15.702 1.00 0.00 O ATOM 595 CB ASP A 51 30.507 -24.730 -12.667 1.00 0.00 C ATOM 596 CG ASP A 51 30.301 -26.204 -12.278 1.00 0.00 C ATOM 597 OD1 ASP A 51 30.206 -27.058 -13.171 1.00 0.00 O ATOM 598 OD2 ASP A 51 30.303 -26.451 -11.037 1.00 0.00 O ATOM 0 H ASP A 51 28.087 -25.385 -14.588 1.00 0.00 H new ATOM 0 HA ASP A 51 29.365 -23.109 -13.501 1.00 0.00 H new ATOM 0 HB2 ASP A 51 31.532 -24.611 -13.017 1.00 0.00 H new ATOM 0 HB3 ASP A 51 30.405 -24.124 -11.767 1.00 0.00 H new ATOM 603 N PHE A 52 30.610 -23.024 -15.671 1.00 0.00 N ATOM 604 CA PHE A 52 31.248 -22.915 -16.982 1.00 0.00 C ATOM 605 C PHE A 52 32.428 -21.933 -16.950 1.00 0.00 C ATOM 606 O PHE A 52 32.269 -20.741 -16.674 1.00 0.00 O ATOM 607 CB PHE A 52 30.218 -22.495 -18.032 1.00 0.00 C ATOM 608 CG PHE A 52 28.940 -23.314 -18.054 1.00 0.00 C ATOM 609 CD1 PHE A 52 27.846 -22.938 -17.249 1.00 0.00 C ATOM 610 CD2 PHE A 52 28.832 -24.446 -18.885 1.00 0.00 C ATOM 611 CE1 PHE A 52 26.642 -23.655 -17.308 1.00 0.00 C ATOM 612 CE2 PHE A 52 27.635 -25.181 -18.919 1.00 0.00 C ATOM 613 CZ PHE A 52 26.537 -24.788 -18.133 1.00 0.00 C ATOM 0 H PHE A 52 30.486 -22.127 -15.202 1.00 0.00 H new ATOM 0 HA PHE A 52 31.646 -23.893 -17.251 1.00 0.00 H new ATOM 0 HB2 PHE A 52 29.957 -21.450 -17.863 1.00 0.00 H new ATOM 0 HB3 PHE A 52 30.683 -22.552 -19.016 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.935 -22.093 -16.583 1.00 0.00 H new ATOM 0 HD2 PHE A 52 29.669 -24.749 -19.496 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.795 -23.336 -16.719 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.558 -26.052 -19.552 1.00 0.00 H new ATOM 0 HZ PHE A 52 25.618 -25.354 -18.163 1.00 0.00 H new ATOM 623 N TYR A 53 33.619 -22.464 -17.244 1.00 0.00 N ATOM 624 CA TYR A 53 34.896 -21.752 -17.278 1.00 0.00 C ATOM 625 C TYR A 53 35.439 -21.787 -18.718 1.00 0.00 C ATOM 626 O TYR A 53 36.174 -22.713 -19.061 1.00 0.00 O ATOM 627 CB TYR A 53 35.870 -22.370 -16.256 1.00 0.00 C ATOM 628 CG TYR A 53 35.682 -21.876 -14.826 1.00 0.00 C ATOM 629 CD1 TYR A 53 34.459 -22.042 -14.145 1.00 0.00 C ATOM 630 CD2 TYR A 53 36.737 -21.202 -14.182 1.00 0.00 C ATOM 631 CE1 TYR A 53 34.284 -21.500 -12.857 1.00 0.00 C ATOM 632 CE2 TYR A 53 36.584 -20.684 -12.884 1.00 0.00 C ATOM 633 CZ TYR A 53 35.342 -20.810 -12.225 1.00 0.00 C ATOM 634 OH TYR A 53 35.144 -20.247 -11.001 1.00 0.00 O ATOM 0 H TYR A 53 33.721 -23.452 -17.476 1.00 0.00 H new ATOM 0 HA TYR A 53 34.768 -20.708 -16.992 1.00 0.00 H new ATOM 0 HB2 TYR A 53 35.753 -23.454 -16.271 1.00 0.00 H new ATOM 0 HB3 TYR A 53 36.891 -22.155 -16.570 1.00 0.00 H new ATOM 0 HD1 TYR A 53 33.653 -22.587 -14.613 1.00 0.00 H new ATOM 0 HD2 TYR A 53 37.680 -21.081 -14.694 1.00 0.00 H new ATOM 0 HE1 TYR A 53 33.337 -21.612 -12.350 1.00 0.00 H new ATOM 0 HE2 TYR A 53 37.412 -20.193 -12.394 1.00 0.00 H new ATOM 0 HH TYR A 53 36.003 -20.163 -10.537 1.00 0.00 H new ATOM 644 N PRO A 54 35.049 -20.830 -19.590 1.00 0.00 N ATOM 645 CA PRO A 54 35.540 -20.751 -20.970 1.00 0.00 C ATOM 646 C PRO A 54 37.024 -20.351 -21.011 1.00 0.00 C ATOM 647 O PRO A 54 37.595 -20.020 -19.980 1.00 0.00 O ATOM 648 CB PRO A 54 34.644 -19.702 -21.644 1.00 0.00 C ATOM 649 CG PRO A 54 34.257 -18.769 -20.495 1.00 0.00 C ATOM 650 CD PRO A 54 34.163 -19.711 -19.297 1.00 0.00 C ATOM 0 HA PRO A 54 35.489 -21.711 -21.483 1.00 0.00 H new ATOM 0 HB2 PRO A 54 35.175 -19.168 -22.433 1.00 0.00 H new ATOM 0 HB3 PRO A 54 33.767 -20.159 -22.103 1.00 0.00 H new ATOM 0 HG2 PRO A 54 35.005 -17.992 -20.338 1.00 0.00 H new ATOM 0 HG3 PRO A 54 33.309 -18.266 -20.687 1.00 0.00 H new ATOM 0 HD2 PRO A 54 34.465 -19.205 -18.380 1.00 0.00 H new ATOM 0 HD3 PRO A 54 33.139 -20.053 -19.150 1.00 0.00 H new ATOM 658 N GLU A 55 37.645 -20.344 -22.196 1.00 0.00 N ATOM 659 CA GLU A 55 39.021 -19.872 -22.422 1.00 0.00 C ATOM 660 C GLU A 55 39.178 -19.196 -23.792 1.00 0.00 C ATOM 661 O GLU A 55 38.272 -19.223 -24.623 1.00 0.00 O ATOM 662 CB GLU A 55 40.021 -21.039 -22.265 1.00 0.00 C ATOM 663 CG GLU A 55 40.498 -21.209 -20.813 1.00 0.00 C ATOM 664 CD GLU A 55 41.772 -22.050 -20.704 1.00 0.00 C ATOM 665 OE1 GLU A 55 41.953 -22.959 -21.545 1.00 0.00 O ATOM 666 OE2 GLU A 55 42.552 -21.759 -19.769 1.00 0.00 O ATOM 0 H GLU A 55 37.194 -20.675 -23.049 1.00 0.00 H new ATOM 0 HA GLU A 55 39.241 -19.118 -21.666 1.00 0.00 H new ATOM 0 HB2 GLU A 55 39.552 -21.964 -22.601 1.00 0.00 H new ATOM 0 HB3 GLU A 55 40.882 -20.865 -22.910 1.00 0.00 H new ATOM 0 HG2 GLU A 55 40.678 -20.226 -20.377 1.00 0.00 H new ATOM 0 HG3 GLU A 55 39.707 -21.678 -20.228 1.00 0.00 H new ATOM 673 N GLU A 56 40.353 -18.601 -24.025 1.00 0.00 N ATOM 674 CA GLU A 56 40.731 -17.932 -25.271 1.00 0.00 C ATOM 675 C GLU A 56 41.866 -18.707 -25.943 1.00 0.00 C ATOM 676 O GLU A 56 42.977 -18.741 -25.431 1.00 0.00 O ATOM 677 CB GLU A 56 41.059 -16.449 -25.010 1.00 0.00 C ATOM 678 CG GLU A 56 42.188 -16.180 -23.995 1.00 0.00 C ATOM 679 CD GLU A 56 42.230 -14.711 -23.572 1.00 0.00 C ATOM 680 OE1 GLU A 56 41.210 -14.241 -23.019 1.00 0.00 O ATOM 681 OE2 GLU A 56 43.284 -14.079 -23.811 1.00 0.00 O ATOM 0 H GLU A 56 41.093 -18.572 -23.324 1.00 0.00 H new ATOM 0 HA GLU A 56 39.894 -17.930 -25.969 1.00 0.00 H new ATOM 0 HB2 GLU A 56 41.330 -15.984 -25.958 1.00 0.00 H new ATOM 0 HB3 GLU A 56 40.154 -15.953 -24.659 1.00 0.00 H new ATOM 0 HG2 GLU A 56 42.044 -16.808 -23.116 1.00 0.00 H new ATOM 0 HG3 GLU A 56 43.146 -16.460 -24.433 1.00 0.00 H new ATOM 688 N ASP A 57 41.582 -19.395 -27.054 1.00 0.00 N ATOM 689 CA ASP A 57 42.544 -20.201 -27.825 1.00 0.00 C ATOM 690 C ASP A 57 43.296 -21.258 -26.984 1.00 0.00 C ATOM 691 O ASP A 57 44.419 -21.633 -27.312 1.00 0.00 O ATOM 692 CB ASP A 57 43.481 -19.273 -28.630 1.00 0.00 C ATOM 693 CG ASP A 57 42.720 -18.287 -29.524 1.00 0.00 C ATOM 694 OD1 ASP A 57 41.804 -18.749 -30.242 1.00 0.00 O ATOM 695 OD2 ASP A 57 43.068 -17.086 -29.483 1.00 0.00 O ATOM 0 H ASP A 57 40.645 -19.409 -27.458 1.00 0.00 H new ATOM 0 HA ASP A 57 41.974 -20.803 -28.533 1.00 0.00 H new ATOM 0 HB2 ASP A 57 44.113 -18.716 -27.939 1.00 0.00 H new ATOM 0 HB3 ASP A 57 44.142 -19.880 -29.248 1.00 0.00 H new ATOM 700 N GLY A 58 42.694 -21.735 -25.882 1.00 0.00 N ATOM 701 CA GLY A 58 43.352 -22.658 -24.949 1.00 0.00 C ATOM 702 C GLY A 58 44.276 -21.958 -23.947 1.00 0.00 C ATOM 703 O GLY A 58 45.065 -22.627 -23.286 1.00 0.00 O ATOM 0 H GLY A 58 41.740 -21.491 -25.615 1.00 0.00 H new ATOM 0 HA2 GLY A 58 42.590 -23.214 -24.402 1.00 0.00 H new ATOM 0 HA3 GLY A 58 43.931 -23.386 -25.518 1.00 0.00 H new ATOM 707 N LYS A 59 44.217 -20.623 -23.849 1.00 0.00 N ATOM 708 CA LYS A 59 44.996 -19.779 -22.944 1.00 0.00 C ATOM 709 C LYS A 59 44.083 -19.154 -21.884 1.00 0.00 C ATOM 710 O LYS A 59 42.867 -19.338 -21.886 1.00 0.00 O ATOM 711 CB LYS A 59 45.746 -18.676 -23.725 1.00 0.00 C ATOM 712 CG LYS A 59 46.322 -19.106 -25.087 1.00 0.00 C ATOM 713 CD LYS A 59 47.283 -18.040 -25.640 1.00 0.00 C ATOM 714 CE LYS A 59 48.712 -18.240 -25.117 1.00 0.00 C ATOM 715 NZ LYS A 59 49.405 -19.324 -25.840 1.00 0.00 N ATOM 0 H LYS A 59 43.587 -20.075 -24.435 1.00 0.00 H new ATOM 0 HA LYS A 59 45.736 -20.405 -22.446 1.00 0.00 H new ATOM 0 HB2 LYS A 59 45.064 -17.841 -23.885 1.00 0.00 H new ATOM 0 HB3 LYS A 59 46.563 -18.307 -23.105 1.00 0.00 H new ATOM 0 HG2 LYS A 59 46.848 -20.055 -24.980 1.00 0.00 H new ATOM 0 HG3 LYS A 59 45.509 -19.270 -25.794 1.00 0.00 H new ATOM 0 HD2 LYS A 59 47.285 -18.081 -26.729 1.00 0.00 H new ATOM 0 HD3 LYS A 59 46.928 -17.049 -25.359 1.00 0.00 H new ATOM 0 HE2 LYS A 59 49.273 -17.312 -25.225 1.00 0.00 H new ATOM 0 HE3 LYS A 59 48.682 -18.472 -24.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 50.368 -19.433 -25.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 48.881 -20.214 -25.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 49.455 -19.090 -26.852 1.00 0.00 H new ATOM 729 N THR A 60 44.705 -18.384 -20.995 1.00 0.00 N ATOM 730 CA THR A 60 44.124 -17.714 -19.828 1.00 0.00 C ATOM 731 C THR A 60 42.838 -16.923 -20.107 1.00 0.00 C ATOM 732 O THR A 60 42.900 -15.840 -20.684 1.00 0.00 O ATOM 733 CB THR A 60 45.163 -16.790 -19.160 1.00 0.00 C ATOM 734 OG1 THR A 60 45.496 -15.706 -19.992 1.00 0.00 O ATOM 735 CG2 THR A 60 46.456 -17.509 -18.743 1.00 0.00 C ATOM 0 H THR A 60 45.704 -18.196 -21.075 1.00 0.00 H new ATOM 0 HA THR A 60 43.838 -18.524 -19.157 1.00 0.00 H new ATOM 0 HB THR A 60 44.676 -16.433 -18.252 1.00 0.00 H new ATOM 0 HG1 THR A 60 44.698 -15.409 -20.477 1.00 0.00 H new ATOM 0 HG21 THR A 60 47.137 -16.794 -18.281 1.00 0.00 H new ATOM 0 HG22 THR A 60 46.220 -18.298 -18.029 1.00 0.00 H new ATOM 0 HG23 THR A 60 46.930 -17.945 -19.623 1.00 0.00 H new ATOM 743 N LYS A 61 41.678 -17.431 -19.678 1.00 0.00 N ATOM 744 CA LYS A 61 40.382 -16.739 -19.733 1.00 0.00 C ATOM 745 C LYS A 61 40.401 -15.415 -18.960 1.00 0.00 C ATOM 746 O LYS A 61 41.323 -15.154 -18.195 1.00 0.00 O ATOM 747 CB LYS A 61 39.303 -17.678 -19.161 1.00 0.00 C ATOM 748 CG LYS A 61 39.339 -17.887 -17.629 1.00 0.00 C ATOM 749 CD LYS A 61 38.999 -19.335 -17.227 1.00 0.00 C ATOM 750 CE LYS A 61 39.697 -19.699 -15.915 1.00 0.00 C ATOM 751 NZ LYS A 61 39.998 -21.148 -15.861 1.00 0.00 N ATOM 0 H LYS A 61 41.611 -18.363 -19.270 1.00 0.00 H new ATOM 0 HA LYS A 61 40.162 -16.492 -20.772 1.00 0.00 H new ATOM 0 HB2 LYS A 61 38.324 -17.284 -19.432 1.00 0.00 H new ATOM 0 HB3 LYS A 61 39.400 -18.650 -19.644 1.00 0.00 H new ATOM 0 HG2 LYS A 61 40.330 -17.631 -17.253 1.00 0.00 H new ATOM 0 HG3 LYS A 61 38.633 -17.206 -17.155 1.00 0.00 H new ATOM 0 HD2 LYS A 61 37.920 -19.445 -17.116 1.00 0.00 H new ATOM 0 HD3 LYS A 61 39.310 -20.021 -18.015 1.00 0.00 H new ATOM 0 HE2 LYS A 61 40.620 -19.128 -15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 61 39.063 -19.424 -15.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 40.471 -21.371 -14.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 39.113 -21.689 -15.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 40.622 -21.403 -16.653 1.00 0.00 H new ATOM 765 N GLY A 62 39.311 -14.657 -19.107 1.00 0.00 N ATOM 766 CA GLY A 62 38.984 -13.416 -18.390 1.00 0.00 C ATOM 767 C GLY A 62 37.564 -13.325 -17.805 1.00 0.00 C ATOM 768 O GLY A 62 37.253 -12.320 -17.168 1.00 0.00 O ATOM 0 H GLY A 62 38.583 -14.909 -19.775 1.00 0.00 H new ATOM 0 HA2 GLY A 62 39.699 -13.292 -17.576 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.128 -12.578 -19.072 1.00 0.00 H new ATOM 772 N TYR A 63 36.695 -14.318 -18.014 1.00 0.00 N ATOM 773 CA TYR A 63 35.280 -14.327 -17.608 1.00 0.00 C ATOM 774 C TYR A 63 34.872 -15.758 -17.225 1.00 0.00 C ATOM 775 O TYR A 63 35.486 -16.716 -17.690 1.00 0.00 O ATOM 776 CB TYR A 63 34.448 -13.694 -18.757 1.00 0.00 C ATOM 777 CG TYR A 63 33.301 -14.494 -19.353 1.00 0.00 C ATOM 778 CD1 TYR A 63 32.079 -14.582 -18.669 1.00 0.00 C ATOM 779 CD2 TYR A 63 33.431 -15.107 -20.613 1.00 0.00 C ATOM 780 CE1 TYR A 63 30.991 -15.285 -19.226 1.00 0.00 C ATOM 781 CE2 TYR A 63 32.339 -15.790 -21.193 1.00 0.00 C ATOM 782 CZ TYR A 63 31.111 -15.882 -20.500 1.00 0.00 C ATOM 783 OH TYR A 63 30.050 -16.532 -21.050 1.00 0.00 O ATOM 0 H TYR A 63 36.967 -15.177 -18.492 1.00 0.00 H new ATOM 0 HA TYR A 63 35.094 -13.726 -16.718 1.00 0.00 H new ATOM 0 HB2 TYR A 63 34.039 -12.753 -18.389 1.00 0.00 H new ATOM 0 HB3 TYR A 63 35.135 -13.448 -19.566 1.00 0.00 H new ATOM 0 HD1 TYR A 63 31.971 -14.106 -17.706 1.00 0.00 H new ATOM 0 HD2 TYR A 63 34.372 -15.055 -21.140 1.00 0.00 H new ATOM 0 HE1 TYR A 63 30.064 -15.367 -18.677 1.00 0.00 H new ATOM 0 HE2 TYR A 63 32.443 -16.243 -22.168 1.00 0.00 H new ATOM 0 HH TYR A 63 30.302 -16.883 -21.930 1.00 0.00 H new ATOM 793 N ILE A 64 33.849 -15.911 -16.380 1.00 0.00 N ATOM 794 CA ILE A 64 33.190 -17.188 -16.050 1.00 0.00 C ATOM 795 C ILE A 64 31.660 -17.038 -16.025 1.00 0.00 C ATOM 796 O ILE A 64 31.141 -15.925 -15.915 1.00 0.00 O ATOM 797 CB ILE A 64 33.694 -17.768 -14.698 1.00 0.00 C ATOM 798 CG1 ILE A 64 33.283 -16.924 -13.464 1.00 0.00 C ATOM 799 CG2 ILE A 64 35.212 -18.009 -14.669 1.00 0.00 C ATOM 800 CD1 ILE A 64 32.421 -17.736 -12.499 1.00 0.00 C ATOM 0 H ILE A 64 33.437 -15.120 -15.885 1.00 0.00 H new ATOM 0 HA ILE A 64 33.457 -17.892 -16.838 1.00 0.00 H new ATOM 0 HB ILE A 64 33.189 -18.732 -14.629 1.00 0.00 H new ATOM 0 HG12 ILE A 64 34.176 -16.571 -12.948 1.00 0.00 H new ATOM 0 HG13 ILE A 64 32.734 -16.041 -13.791 1.00 0.00 H new ATOM 0 HG21 ILE A 64 35.498 -18.414 -13.698 1.00 0.00 H new ATOM 0 HG22 ILE A 64 35.483 -18.718 -15.452 1.00 0.00 H new ATOM 0 HG23 ILE A 64 35.733 -17.067 -14.837 1.00 0.00 H new ATOM 0 HD11 ILE A 64 32.149 -17.116 -11.644 1.00 0.00 H new ATOM 0 HD12 ILE A 64 31.517 -18.067 -13.009 1.00 0.00 H new ATOM 0 HD13 ILE A 64 32.981 -18.605 -12.154 1.00 0.00 H new ATOM 812 N PHE A 65 30.943 -18.161 -16.054 1.00 0.00 N ATOM 813 CA PHE A 65 29.485 -18.241 -16.040 1.00 0.00 C ATOM 814 C PHE A 65 29.030 -19.309 -15.038 1.00 0.00 C ATOM 815 O PHE A 65 29.501 -20.450 -15.076 1.00 0.00 O ATOM 816 CB PHE A 65 29.008 -18.521 -17.480 1.00 0.00 C ATOM 817 CG PHE A 65 27.544 -18.908 -17.646 1.00 0.00 C ATOM 818 CD1 PHE A 65 26.524 -18.128 -17.064 1.00 0.00 C ATOM 819 CD2 PHE A 65 27.185 -20.052 -18.390 1.00 0.00 C ATOM 820 CE1 PHE A 65 25.180 -18.488 -17.234 1.00 0.00 C ATOM 821 CE2 PHE A 65 25.837 -20.431 -18.523 1.00 0.00 C ATOM 822 CZ PHE A 65 24.827 -19.645 -17.949 1.00 0.00 C ATOM 0 H PHE A 65 31.384 -19.080 -16.089 1.00 0.00 H new ATOM 0 HA PHE A 65 29.038 -17.303 -15.710 1.00 0.00 H new ATOM 0 HB2 PHE A 65 29.196 -17.632 -18.081 1.00 0.00 H new ATOM 0 HB3 PHE A 65 29.622 -19.321 -17.894 1.00 0.00 H new ATOM 0 HD1 PHE A 65 26.779 -17.252 -16.486 1.00 0.00 H new ATOM 0 HD2 PHE A 65 27.955 -20.644 -18.863 1.00 0.00 H new ATOM 0 HE1 PHE A 65 24.405 -17.867 -16.809 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.580 -21.328 -19.067 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.790 -19.926 -18.055 1.00 0.00 H new ATOM 832 N LEU A 66 28.125 -18.927 -14.134 1.00 0.00 N ATOM 833 CA LEU A 66 27.510 -19.812 -13.142 1.00 0.00 C ATOM 834 C LEU A 66 25.989 -19.661 -13.154 1.00 0.00 C ATOM 835 O LEU A 66 25.450 -18.580 -13.388 1.00 0.00 O ATOM 836 CB LEU A 66 28.029 -19.469 -11.733 1.00 0.00 C ATOM 837 CG LEU A 66 29.492 -19.845 -11.456 1.00 0.00 C ATOM 838 CD1 LEU A 66 29.960 -19.149 -10.175 1.00 0.00 C ATOM 839 CD2 LEU A 66 29.704 -21.356 -11.316 1.00 0.00 C ATOM 0 H LEU A 66 27.790 -17.966 -14.070 1.00 0.00 H new ATOM 0 HA LEU A 66 27.774 -20.838 -13.397 1.00 0.00 H new ATOM 0 HB2 LEU A 66 27.911 -18.397 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.398 -19.972 -11.000 1.00 0.00 H new ATOM 0 HG LEU A 66 30.076 -19.516 -12.315 1.00 0.00 H new ATOM 0 HD11 LEU A 66 30.998 -19.414 -9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 66 29.878 -18.069 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 66 29.337 -19.468 -9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 66 30.757 -21.559 -11.121 1.00 0.00 H new ATOM 0 HD22 LEU A 66 29.103 -21.733 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 66 29.403 -21.853 -12.239 1.00 0.00 H new ATOM 851 N GLU A 67 25.294 -20.745 -12.821 1.00 0.00 N ATOM 852 CA GLU A 67 23.836 -20.812 -12.739 1.00 0.00 C ATOM 853 C GLU A 67 23.412 -21.536 -11.456 1.00 0.00 C ATOM 854 O GLU A 67 23.952 -22.586 -11.092 1.00 0.00 O ATOM 855 CB GLU A 67 23.293 -21.420 -14.051 1.00 0.00 C ATOM 856 CG GLU A 67 21.900 -22.062 -13.927 1.00 0.00 C ATOM 857 CD GLU A 67 21.390 -22.669 -15.240 1.00 0.00 C ATOM 858 OE1 GLU A 67 21.774 -22.161 -16.317 1.00 0.00 O ATOM 859 OE2 GLU A 67 20.617 -23.646 -15.140 1.00 0.00 O ATOM 0 H GLU A 67 25.744 -21.631 -12.593 1.00 0.00 H new ATOM 0 HA GLU A 67 23.390 -19.821 -12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 67 23.253 -20.638 -14.810 1.00 0.00 H new ATOM 0 HB3 GLU A 67 23.996 -22.173 -14.406 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.933 -22.840 -13.164 1.00 0.00 H new ATOM 0 HG3 GLU A 67 21.190 -21.309 -13.584 1.00 0.00 H new ATOM 866 N TYR A 68 22.428 -20.955 -10.773 1.00 0.00 N ATOM 867 CA TYR A 68 21.825 -21.524 -9.573 1.00 0.00 C ATOM 868 C TYR A 68 20.561 -22.324 -9.906 1.00 0.00 C ATOM 869 O TYR A 68 20.010 -22.243 -10.999 1.00 0.00 O ATOM 870 CB TYR A 68 21.490 -20.408 -8.575 1.00 0.00 C ATOM 871 CG TYR A 68 22.703 -19.743 -7.986 1.00 0.00 C ATOM 872 CD1 TYR A 68 23.277 -20.235 -6.792 1.00 0.00 C ATOM 873 CD2 TYR A 68 23.236 -18.605 -8.611 1.00 0.00 C ATOM 874 CE1 TYR A 68 24.348 -19.539 -6.193 1.00 0.00 C ATOM 875 CE2 TYR A 68 24.319 -17.934 -8.030 1.00 0.00 C ATOM 876 CZ TYR A 68 24.878 -18.400 -6.836 1.00 0.00 C ATOM 877 OH TYR A 68 25.942 -17.739 -6.343 1.00 0.00 O ATOM 0 H TYR A 68 22.021 -20.060 -11.044 1.00 0.00 H new ATOM 0 HA TYR A 68 22.547 -22.207 -9.126 1.00 0.00 H new ATOM 0 HB2 TYR A 68 20.880 -19.656 -9.075 1.00 0.00 H new ATOM 0 HB3 TYR A 68 20.886 -20.823 -7.768 1.00 0.00 H new ATOM 0 HD1 TYR A 68 22.898 -21.140 -6.340 1.00 0.00 H new ATOM 0 HD2 TYR A 68 22.812 -18.248 -9.538 1.00 0.00 H new ATOM 0 HE1 TYR A 68 24.758 -19.874 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 68 24.724 -17.053 -8.506 1.00 0.00 H new ATOM 0 HH TYR A 68 26.305 -17.143 -7.031 1.00 0.00 H new ATOM 887 N ALA A 69 20.062 -23.057 -8.908 1.00 0.00 N ATOM 888 CA ALA A 69 18.809 -23.795 -8.993 1.00 0.00 C ATOM 889 C ALA A 69 17.556 -22.886 -8.911 1.00 0.00 C ATOM 890 O ALA A 69 16.440 -23.394 -9.003 1.00 0.00 O ATOM 891 CB ALA A 69 18.812 -24.861 -7.888 1.00 0.00 C ATOM 0 H ALA A 69 20.528 -23.153 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 69 18.745 -24.266 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.883 -25.430 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 69 19.656 -25.534 -8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 69 18.899 -24.377 -6.915 1.00 0.00 H new ATOM 897 N SER A 70 17.713 -21.566 -8.700 1.00 0.00 N ATOM 898 CA SER A 70 16.606 -20.630 -8.461 1.00 0.00 C ATOM 899 C SER A 70 17.000 -19.154 -8.660 1.00 0.00 C ATOM 900 O SER A 70 18.167 -18.792 -8.469 1.00 0.00 O ATOM 901 CB SER A 70 16.031 -20.833 -7.044 1.00 0.00 C ATOM 902 OG SER A 70 17.001 -21.225 -6.093 1.00 0.00 O ATOM 0 H SER A 70 18.628 -21.116 -8.691 1.00 0.00 H new ATOM 0 HA SER A 70 15.846 -20.856 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.564 -19.905 -6.714 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.246 -21.589 -7.084 1.00 0.00 H new ATOM 0 HG SER A 70 16.575 -21.335 -5.217 1.00 0.00 H new ATOM 908 N PRO A 71 16.021 -18.271 -8.967 1.00 0.00 N ATOM 909 CA PRO A 71 16.260 -16.856 -9.253 1.00 0.00 C ATOM 910 C PRO A 71 16.787 -16.117 -8.022 1.00 0.00 C ATOM 911 O PRO A 71 17.813 -15.444 -8.093 1.00 0.00 O ATOM 912 CB PRO A 71 14.927 -16.284 -9.759 1.00 0.00 C ATOM 913 CG PRO A 71 13.881 -17.226 -9.167 1.00 0.00 C ATOM 914 CD PRO A 71 14.605 -18.572 -9.137 1.00 0.00 C ATOM 0 HA PRO A 71 17.034 -16.730 -10.010 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.778 -15.258 -9.423 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.884 -16.272 -10.848 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.573 -16.911 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.981 -17.266 -9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.238 -19.193 -8.319 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.433 -19.127 -10.060 1.00 0.00 H new ATOM 922 N ALA A 72 16.126 -16.319 -6.872 1.00 0.00 N ATOM 923 CA ALA A 72 16.460 -15.750 -5.568 1.00 0.00 C ATOM 924 C ALA A 72 17.915 -15.996 -5.139 1.00 0.00 C ATOM 925 O ALA A 72 18.425 -15.245 -4.315 1.00 0.00 O ATOM 926 CB ALA A 72 15.484 -16.305 -4.523 1.00 0.00 C ATOM 0 H ALA A 72 15.300 -16.917 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 72 16.363 -14.667 -5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.723 -15.888 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.465 -16.031 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.570 -17.391 -4.485 1.00 0.00 H new ATOM 932 N HIS A 73 18.600 -17.010 -5.689 1.00 0.00 N ATOM 933 CA HIS A 73 20.017 -17.262 -5.409 1.00 0.00 C ATOM 934 C HIS A 73 20.913 -16.387 -6.299 1.00 0.00 C ATOM 935 O HIS A 73 21.842 -15.758 -5.803 1.00 0.00 O ATOM 936 CB HIS A 73 20.334 -18.750 -5.601 1.00 0.00 C ATOM 937 CG HIS A 73 19.690 -19.715 -4.628 1.00 0.00 C ATOM 938 ND1 HIS A 73 20.096 -21.029 -4.457 1.00 0.00 N ATOM 939 CD2 HIS A 73 18.632 -19.489 -3.795 1.00 0.00 C ATOM 940 CE1 HIS A 73 19.284 -21.584 -3.537 1.00 0.00 C ATOM 941 NE2 HIS A 73 18.388 -20.669 -3.121 1.00 0.00 N ATOM 0 H HIS A 73 18.185 -17.677 -6.340 1.00 0.00 H new ATOM 0 HA HIS A 73 20.221 -16.997 -4.372 1.00 0.00 H new ATOM 0 HB2 HIS A 73 20.035 -19.034 -6.610 1.00 0.00 H new ATOM 0 HB3 HIS A 73 21.415 -18.878 -5.541 1.00 0.00 H new ATOM 0 HD2 HIS A 73 18.089 -18.562 -3.684 1.00 0.00 H new ATOM 0 HE1 HIS A 73 19.342 -22.604 -3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 73 17.656 -20.821 -2.428 1.00 0.00 H new ATOM 950 N ALA A 74 20.619 -16.316 -7.602 1.00 0.00 N ATOM 951 CA ALA A 74 21.371 -15.518 -8.567 1.00 0.00 C ATOM 952 C ALA A 74 21.215 -14.009 -8.342 1.00 0.00 C ATOM 953 O ALA A 74 22.220 -13.300 -8.262 1.00 0.00 O ATOM 954 CB ALA A 74 20.908 -15.891 -9.973 1.00 0.00 C ATOM 0 H ALA A 74 19.838 -16.822 -8.019 1.00 0.00 H new ATOM 0 HA ALA A 74 22.430 -15.740 -8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.461 -15.303 -10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 74 21.090 -16.952 -10.147 1.00 0.00 H new ATOM 0 HB3 ALA A 74 19.842 -15.685 -10.072 1.00 0.00 H new ATOM 960 N VAL A 75 19.969 -13.520 -8.230 1.00 0.00 N ATOM 961 CA VAL A 75 19.665 -12.088 -8.048 1.00 0.00 C ATOM 962 C VAL A 75 20.278 -11.538 -6.758 1.00 0.00 C ATOM 963 O VAL A 75 20.679 -10.378 -6.706 1.00 0.00 O ATOM 964 CB VAL A 75 18.142 -11.819 -8.085 1.00 0.00 C ATOM 965 CG1 VAL A 75 17.479 -12.345 -9.372 1.00 0.00 C ATOM 966 CG2 VAL A 75 17.410 -12.350 -6.840 1.00 0.00 C ATOM 0 H VAL A 75 19.138 -14.110 -8.263 1.00 0.00 H new ATOM 0 HA VAL A 75 20.120 -11.561 -8.886 1.00 0.00 H new ATOM 0 HB VAL A 75 18.043 -10.733 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 75 16.411 -12.130 -9.345 1.00 0.00 H new ATOM 0 HG12 VAL A 75 17.926 -11.856 -10.238 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.630 -13.422 -9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 75 16.345 -12.132 -6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 75 17.555 -13.428 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 75 17.811 -11.867 -5.949 1.00 0.00 H new ATOM 976 N ASP A 76 20.389 -12.402 -5.746 1.00 0.00 N ATOM 977 CA ASP A 76 21.117 -12.173 -4.508 1.00 0.00 C ATOM 978 C ASP A 76 22.624 -12.170 -4.796 1.00 0.00 C ATOM 979 O ASP A 76 23.244 -11.125 -4.617 1.00 0.00 O ATOM 980 CB ASP A 76 20.711 -13.241 -3.484 1.00 0.00 C ATOM 981 CG ASP A 76 21.483 -13.084 -2.183 1.00 0.00 C ATOM 982 OD1 ASP A 76 21.006 -12.323 -1.313 1.00 0.00 O ATOM 983 OD2 ASP A 76 22.559 -13.709 -2.103 1.00 0.00 O ATOM 0 H ASP A 76 19.951 -13.323 -5.775 1.00 0.00 H new ATOM 0 HA ASP A 76 20.869 -11.200 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.642 -13.169 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 76 20.892 -14.233 -3.899 1.00 0.00 H new ATOM 988 N ALA A 77 23.207 -13.283 -5.268 1.00 0.00 N ATOM 989 CA ALA A 77 24.645 -13.452 -5.494 1.00 0.00 C ATOM 990 C ALA A 77 25.286 -12.325 -6.318 1.00 0.00 C ATOM 991 O ALA A 77 26.354 -11.836 -5.947 1.00 0.00 O ATOM 992 CB ALA A 77 24.861 -14.811 -6.157 1.00 0.00 C ATOM 0 H ALA A 77 22.670 -14.116 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 77 25.146 -13.404 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 77 25.925 -14.963 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.488 -15.599 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 77 24.325 -14.843 -7.105 1.00 0.00 H new ATOM 998 N VAL A 78 24.618 -11.860 -7.379 1.00 0.00 N ATOM 999 CA VAL A 78 25.048 -10.690 -8.160 1.00 0.00 C ATOM 1000 C VAL A 78 25.288 -9.467 -7.268 1.00 0.00 C ATOM 1001 O VAL A 78 26.344 -8.843 -7.338 1.00 0.00 O ATOM 1002 CB VAL A 78 24.028 -10.369 -9.276 1.00 0.00 C ATOM 1003 CG1 VAL A 78 24.192 -8.959 -9.856 1.00 0.00 C ATOM 1004 CG2 VAL A 78 24.170 -11.403 -10.391 1.00 0.00 C ATOM 0 H VAL A 78 23.758 -12.286 -7.724 1.00 0.00 H new ATOM 0 HA VAL A 78 26.000 -10.942 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 78 23.034 -10.409 -8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.446 -8.797 -10.634 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.057 -8.222 -9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.190 -8.855 -10.282 1.00 0.00 H new ATOM 0 HG21 VAL A 78 23.454 -11.184 -11.183 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.181 -11.365 -10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 78 23.976 -12.398 -9.991 1.00 0.00 H new ATOM 1014 N LYS A 79 24.321 -9.155 -6.401 1.00 0.00 N ATOM 1015 CA LYS A 79 24.339 -8.051 -5.436 1.00 0.00 C ATOM 1016 C LYS A 79 24.896 -8.486 -4.067 1.00 0.00 C ATOM 1017 O LYS A 79 24.637 -7.816 -3.080 1.00 0.00 O ATOM 1018 CB LYS A 79 22.933 -7.406 -5.352 1.00 0.00 C ATOM 1019 CG LYS A 79 22.635 -6.556 -6.603 1.00 0.00 C ATOM 1020 CD LYS A 79 21.555 -7.125 -7.526 1.00 0.00 C ATOM 1021 CE LYS A 79 20.155 -6.855 -6.967 1.00 0.00 C ATOM 1022 NZ LYS A 79 19.131 -7.048 -8.010 1.00 0.00 N ATOM 0 H LYS A 79 23.457 -9.695 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 79 25.030 -7.285 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 79 22.178 -8.185 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 79 22.869 -6.782 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 79 22.331 -5.559 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 79 23.556 -6.440 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.647 -6.679 -8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 79 21.702 -8.199 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.958 -7.523 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 79 20.102 -5.837 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.189 -6.860 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.310 -6.393 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.170 -8.027 -8.358 1.00 0.00 H new ATOM 1036 N ASN A 80 25.649 -9.595 -3.989 1.00 0.00 N ATOM 1037 CA ASN A 80 26.344 -10.075 -2.778 1.00 0.00 C ATOM 1038 C ASN A 80 27.814 -10.474 -3.009 1.00 0.00 C ATOM 1039 O ASN A 80 28.501 -10.846 -2.059 1.00 0.00 O ATOM 1040 CB ASN A 80 25.566 -11.235 -2.131 1.00 0.00 C ATOM 1041 CG ASN A 80 24.347 -10.835 -1.321 1.00 0.00 C ATOM 1042 OD1 ASN A 80 24.338 -10.917 -0.107 1.00 0.00 O ATOM 1043 ND2 ASN A 80 23.268 -10.458 -1.964 1.00 0.00 N ATOM 0 H ASN A 80 25.797 -10.205 -4.793 1.00 0.00 H new ATOM 0 HA ASN A 80 26.371 -9.224 -2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 80 25.249 -11.920 -2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.246 -11.788 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 80 22.418 -10.233 -1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 80 23.278 -10.390 -2.982 1.00 0.00 H new ATOM 1050 N ALA A 81 28.304 -10.421 -4.247 1.00 0.00 N ATOM 1051 CA ALA A 81 29.690 -10.739 -4.603 1.00 0.00 C ATOM 1052 C ALA A 81 30.282 -9.748 -5.616 1.00 0.00 C ATOM 1053 O ALA A 81 31.266 -10.067 -6.281 1.00 0.00 O ATOM 1054 CB ALA A 81 29.742 -12.173 -5.127 1.00 0.00 C ATOM 0 H ALA A 81 27.737 -10.150 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 81 30.308 -10.649 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.768 -12.425 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.392 -12.856 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.104 -12.263 -6.006 1.00 0.00 H new ATOM 1060 N ASP A 82 29.692 -8.555 -5.753 1.00 0.00 N ATOM 1061 CA ASP A 82 30.091 -7.499 -6.679 1.00 0.00 C ATOM 1062 C ASP A 82 31.527 -6.991 -6.407 1.00 0.00 C ATOM 1063 O ASP A 82 31.723 -5.938 -5.804 1.00 0.00 O ATOM 1064 CB ASP A 82 29.047 -6.371 -6.647 1.00 0.00 C ATOM 1065 CG ASP A 82 29.389 -5.265 -7.651 1.00 0.00 C ATOM 1066 OD1 ASP A 82 29.973 -5.599 -8.709 1.00 0.00 O ATOM 1067 OD2 ASP A 82 29.052 -4.097 -7.362 1.00 0.00 O ATOM 0 H ASP A 82 28.883 -8.291 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 82 30.121 -7.910 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.062 -6.778 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 82 28.995 -5.950 -5.643 1.00 0.00 H new ATOM 1072 N GLY A 83 32.535 -7.736 -6.870 1.00 0.00 N ATOM 1073 CA GLY A 83 33.944 -7.349 -6.849 1.00 0.00 C ATOM 1074 C GLY A 83 34.754 -8.034 -5.750 1.00 0.00 C ATOM 1075 O GLY A 83 34.927 -7.481 -4.671 1.00 0.00 O ATOM 0 H GLY A 83 32.385 -8.656 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 83 34.390 -7.583 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 83 34.013 -6.269 -6.719 1.00 0.00 H new ATOM 1079 N TYR A 84 35.287 -9.224 -6.036 1.00 0.00 N ATOM 1080 CA TYR A 84 36.084 -10.031 -5.105 1.00 0.00 C ATOM 1081 C TYR A 84 37.438 -9.401 -4.715 1.00 0.00 C ATOM 1082 O TYR A 84 38.138 -8.821 -5.542 1.00 0.00 O ATOM 1083 CB TYR A 84 36.316 -11.430 -5.696 1.00 0.00 C ATOM 1084 CG TYR A 84 35.112 -12.050 -6.378 1.00 0.00 C ATOM 1085 CD1 TYR A 84 34.143 -12.759 -5.642 1.00 0.00 C ATOM 1086 CD2 TYR A 84 35.002 -11.963 -7.777 1.00 0.00 C ATOM 1087 CE1 TYR A 84 33.118 -13.448 -6.322 1.00 0.00 C ATOM 1088 CE2 TYR A 84 33.960 -12.609 -8.459 1.00 0.00 C ATOM 1089 CZ TYR A 84 33.040 -13.386 -7.730 1.00 0.00 C ATOM 1090 OH TYR A 84 32.139 -14.149 -8.397 1.00 0.00 O ATOM 0 H TYR A 84 35.174 -9.667 -6.948 1.00 0.00 H new ATOM 0 HA TYR A 84 35.502 -10.088 -4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 84 37.132 -11.372 -6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 84 36.643 -12.095 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 84 34.185 -12.775 -4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 84 35.729 -11.391 -8.334 1.00 0.00 H new ATOM 0 HE1 TYR A 84 32.393 -14.023 -5.766 1.00 0.00 H new ATOM 0 HE2 TYR A 84 33.865 -12.511 -9.530 1.00 0.00 H new ATOM 0 HH TYR A 84 31.592 -14.647 -7.754 1.00 0.00 H new ATOM 1100 N LYS A 85 37.876 -9.604 -3.468 1.00 0.00 N ATOM 1101 CA LYS A 85 39.168 -9.129 -2.941 1.00 0.00 C ATOM 1102 C LYS A 85 40.360 -10.055 -3.260 1.00 0.00 C ATOM 1103 O LYS A 85 41.036 -10.541 -2.360 1.00 0.00 O ATOM 1104 CB LYS A 85 39.048 -8.790 -1.437 1.00 0.00 C ATOM 1105 CG LYS A 85 38.617 -9.972 -0.541 1.00 0.00 C ATOM 1106 CD LYS A 85 37.107 -9.957 -0.277 1.00 0.00 C ATOM 1107 CE LYS A 85 36.698 -9.046 0.877 1.00 0.00 C ATOM 1108 NZ LYS A 85 36.800 -9.742 2.169 1.00 0.00 N ATOM 0 H LYS A 85 37.330 -10.117 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 85 39.405 -8.209 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 85 40.010 -8.417 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 85 38.329 -7.980 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 85 38.894 -10.912 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 85 39.153 -9.926 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 85 36.591 -9.636 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 85 36.774 -10.973 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 85 37.334 -8.161 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 85 35.675 -8.702 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 36.516 -9.097 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 36.175 -10.573 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 37.782 -10.048 2.322 1.00 0.00 H new ATOM 1224 N PHE A 92 36.853 -6.996 -9.568 1.00 0.00 N ATOM 1225 CA PHE A 92 35.962 -7.713 -10.489 1.00 0.00 C ATOM 1226 C PHE A 92 34.595 -7.036 -10.561 1.00 0.00 C ATOM 1227 O PHE A 92 34.298 -6.140 -9.772 1.00 0.00 O ATOM 1228 CB PHE A 92 35.775 -9.168 -10.045 1.00 0.00 C ATOM 1229 CG PHE A 92 37.068 -9.885 -9.769 1.00 0.00 C ATOM 1230 CD1 PHE A 92 37.750 -9.626 -8.569 1.00 0.00 C ATOM 1231 CD2 PHE A 92 37.581 -10.821 -10.682 1.00 0.00 C ATOM 1232 CE1 PHE A 92 38.958 -10.262 -8.292 1.00 0.00 C ATOM 1233 CE2 PHE A 92 38.780 -11.480 -10.384 1.00 0.00 C ATOM 1234 CZ PHE A 92 39.474 -11.192 -9.204 1.00 0.00 C ATOM 0 HA PHE A 92 36.427 -7.693 -11.475 1.00 0.00 H new ATOM 0 HB2 PHE A 92 35.159 -9.188 -9.146 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.228 -9.707 -10.818 1.00 0.00 H new ATOM 0 HD1 PHE A 92 37.335 -8.929 -7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 92 37.057 -11.030 -11.603 1.00 0.00 H new ATOM 0 HE1 PHE A 92 39.493 -10.040 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 92 39.172 -12.216 -11.070 1.00 0.00 H new ATOM 0 HZ PHE A 92 40.410 -11.688 -8.995 1.00 0.00 H new ATOM 1244 N ARG A 93 33.752 -7.499 -11.488 1.00 0.00 N ATOM 1245 CA ARG A 93 32.405 -6.967 -11.733 1.00 0.00 C ATOM 1246 C ARG A 93 31.416 -8.127 -11.921 1.00 0.00 C ATOM 1247 O ARG A 93 31.314 -8.677 -13.016 1.00 0.00 O ATOM 1248 CB ARG A 93 32.423 -6.003 -12.945 1.00 0.00 C ATOM 1249 CG ARG A 93 33.481 -4.881 -12.879 1.00 0.00 C ATOM 1250 CD ARG A 93 33.276 -3.879 -11.735 1.00 0.00 C ATOM 1251 NE ARG A 93 32.292 -2.838 -12.077 1.00 0.00 N ATOM 1252 CZ ARG A 93 32.078 -1.725 -11.385 1.00 0.00 C ATOM 1253 NH1 ARG A 93 32.701 -1.473 -10.254 1.00 0.00 N ATOM 1254 NH2 ARG A 93 31.225 -0.832 -11.830 1.00 0.00 N ATOM 0 H ARG A 93 33.992 -8.274 -12.106 1.00 0.00 H new ATOM 0 HA ARG A 93 32.072 -6.389 -10.871 1.00 0.00 H new ATOM 0 HB2 ARG A 93 32.592 -6.586 -13.850 1.00 0.00 H new ATOM 0 HB3 ARG A 93 31.438 -5.546 -13.040 1.00 0.00 H new ATOM 0 HG2 ARG A 93 34.467 -5.334 -12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 93 33.477 -4.339 -13.825 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.944 -4.411 -10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.229 -3.410 -11.490 1.00 0.00 H new ATOM 0 HE ARG A 93 31.728 -2.984 -12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 93 33.374 -2.143 -9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 93 32.511 -0.607 -9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 93 30.728 -0.994 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 93 31.059 0.024 -11.300 1.00 0.00 H new ATOM 1268 N VAL A 94 30.716 -8.529 -10.853 1.00 0.00 N ATOM 1269 CA VAL A 94 29.704 -9.606 -10.894 1.00 0.00 C ATOM 1270 C VAL A 94 28.338 -9.007 -11.227 1.00 0.00 C ATOM 1271 O VAL A 94 27.819 -8.204 -10.459 1.00 0.00 O ATOM 1272 CB VAL A 94 29.626 -10.396 -9.575 1.00 0.00 C ATOM 1273 CG1 VAL A 94 28.649 -11.574 -9.706 1.00 0.00 C ATOM 1274 CG2 VAL A 94 30.993 -10.972 -9.204 1.00 0.00 C ATOM 0 H VAL A 94 30.832 -8.117 -9.927 1.00 0.00 H new ATOM 0 HA VAL A 94 30.006 -10.311 -11.668 1.00 0.00 H new ATOM 0 HB VAL A 94 29.287 -9.703 -8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 94 28.608 -12.120 -8.763 1.00 0.00 H new ATOM 0 HG12 VAL A 94 27.656 -11.197 -9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 94 28.989 -12.242 -10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 94 30.913 -11.526 -8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 94 31.332 -11.642 -9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 94 31.710 -10.160 -9.084 1.00 0.00 H new ATOM 1284 N ASN A 95 27.764 -9.381 -12.374 1.00 0.00 N ATOM 1285 CA ASN A 95 26.444 -8.933 -12.824 1.00 0.00 C ATOM 1286 C ASN A 95 25.634 -10.122 -13.387 1.00 0.00 C ATOM 1287 O ASN A 95 26.115 -11.257 -13.436 1.00 0.00 O ATOM 1288 CB ASN A 95 26.618 -7.751 -13.795 1.00 0.00 C ATOM 1289 CG ASN A 95 27.088 -6.481 -13.093 1.00 0.00 C ATOM 1290 OD1 ASN A 95 26.298 -5.653 -12.669 1.00 0.00 O ATOM 1291 ND2 ASN A 95 28.383 -6.281 -12.946 1.00 0.00 N ATOM 0 H ASN A 95 28.215 -10.018 -13.030 1.00 0.00 H new ATOM 0 HA ASN A 95 25.850 -8.560 -11.990 1.00 0.00 H new ATOM 0 HB2 ASN A 95 27.338 -8.023 -14.567 1.00 0.00 H new ATOM 0 HB3 ASN A 95 25.670 -7.555 -14.297 1.00 0.00 H new ATOM 0 HD21 ASN A 95 28.719 -5.438 -12.480 1.00 0.00 H new ATOM 0 HD22 ASN A 95 29.049 -6.969 -13.298 1.00 0.00 H new