USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 651 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 Single : A 21 MET CE :methyl -135:sc= -0.109 (180deg=-0.574) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc=-0.00536 X(o=-0.0054,f=-0.0054) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.727 F(o=-2.7!,f=-0.73) USER MOD Single : A 36 ASN : amide:sc= 0.0407 K(o=0.041,f=-1.4) USER MOD Single : A 37 SER OG : rot -38:sc= 0.0125 USER MOD Single : A 38 THR OG1 : rot 105:sc= 0.609 USER MOD Single : A 55 SER OG : rot 37:sc= -1.06 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0183 F(o=-0.72,f=-0.018) USER MOD Single : A 82 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.037) USER MOD Single : A 84 GLN : amide:sc= -0.262 K(o=-0.26,f=-5.7!) USER MOD Single : A 85 GLN : amide:sc= -0.0458 X(o=-0.046,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -119:sc= 0.593 (180deg=-0.0573) USER MOD Single : A 90 GLN : amide:sc= 0.124 X(o=0.12,f=-0.034) USER MOD Single : A 91 LYS NZ :NH3+ -130:sc= 0.594 (180deg=-0.231) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 53:sc= 0.166 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -49:sc= 0.261 USER MOD Single : A 106 GLN : amide:sc= 0.117 K(o=0.12,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -10.448 11.334 -17.360 1.00 0.00 N ATOM 2 CA MET A 21 -10.559 10.001 -16.724 1.00 0.00 C ATOM 3 C MET A 21 -9.797 8.968 -17.566 1.00 0.00 C ATOM 4 O MET A 21 -10.133 8.743 -18.736 1.00 0.00 O ATOM 5 CB MET A 21 -12.051 9.599 -16.566 1.00 0.00 C ATOM 6 CG MET A 21 -12.296 8.233 -15.902 1.00 0.00 C ATOM 7 SD MET A 21 -14.048 7.901 -15.608 1.00 0.00 S ATOM 8 CE MET A 21 -14.486 9.190 -14.436 1.00 0.00 C ATOM 0 HA MET A 21 -10.117 10.037 -15.728 1.00 0.00 H new ATOM 0 HB2 MET A 21 -12.557 10.366 -15.979 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.515 9.594 -17.552 1.00 0.00 H new ATOM 0 HG2 MET A 21 -11.883 7.447 -16.535 1.00 0.00 H new ATOM 0 HG3 MET A 21 -11.759 8.194 -14.954 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.081 8.762 -13.630 1.00 0.00 H new ATOM 0 HE2 MET A 21 -13.578 9.630 -14.023 1.00 0.00 H new ATOM 0 HE3 MET A 21 -15.065 9.962 -14.943 1.00 0.00 H new ATOM 18 N ALA A 22 -8.760 8.361 -16.969 1.00 0.00 N ATOM 19 CA ALA A 22 -7.975 7.292 -17.596 1.00 0.00 C ATOM 20 C ALA A 22 -8.701 5.949 -17.410 1.00 0.00 C ATOM 21 O ALA A 22 -8.499 5.253 -16.406 1.00 0.00 O ATOM 22 CB ALA A 22 -6.549 7.245 -17.009 1.00 0.00 C ATOM 0 H ALA A 22 -8.442 8.602 -16.030 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.880 7.493 -18.663 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.984 6.445 -17.488 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.051 8.198 -17.187 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.603 7.059 -15.936 1.00 0.00 H new ATOM 28 N SER A 23 -9.565 5.611 -18.373 1.00 0.00 N ATOM 29 CA SER A 23 -10.383 4.389 -18.352 1.00 0.00 C ATOM 30 C SER A 23 -10.197 3.651 -19.677 1.00 0.00 C ATOM 31 O SER A 23 -10.062 4.288 -20.738 1.00 0.00 O ATOM 32 CB SER A 23 -11.863 4.750 -18.096 1.00 0.00 C ATOM 33 OG SER A 23 -12.652 3.594 -17.883 1.00 0.00 O ATOM 0 H SER A 23 -9.720 6.185 -19.202 1.00 0.00 H new ATOM 0 HA SER A 23 -10.066 3.731 -17.543 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.933 5.404 -17.227 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.255 5.307 -18.947 1.00 0.00 H new ATOM 0 HG SER A 23 -13.582 3.858 -17.722 1.00 0.00 H new ATOM 39 N GLY A 24 -10.219 2.307 -19.608 1.00 0.00 N ATOM 40 CA GLY A 24 -9.746 1.462 -20.697 1.00 0.00 C ATOM 41 C GLY A 24 -8.245 1.639 -20.845 1.00 0.00 C ATOM 42 O GLY A 24 -7.504 1.158 -20.004 1.00 0.00 O ATOM 0 H GLY A 24 -10.564 1.789 -18.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.984 0.418 -20.494 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.250 1.728 -21.626 1.00 0.00 H new ATOM 46 N TRP A 25 -7.866 2.473 -21.821 1.00 0.00 N ATOM 47 CA TRP A 25 -6.488 2.909 -22.189 1.00 0.00 C ATOM 48 C TRP A 25 -5.371 1.816 -22.166 1.00 0.00 C ATOM 49 O TRP A 25 -4.831 1.469 -23.223 1.00 0.00 O ATOM 50 CB TRP A 25 -6.065 4.218 -21.431 1.00 0.00 C ATOM 51 CG TRP A 25 -5.676 4.114 -19.961 1.00 0.00 C ATOM 52 CD1 TRP A 25 -6.462 3.739 -18.911 1.00 0.00 C ATOM 53 CD2 TRP A 25 -4.407 4.460 -19.387 1.00 0.00 C ATOM 54 NE1 TRP A 25 -5.755 3.787 -17.741 1.00 0.00 N ATOM 55 CE2 TRP A 25 -4.491 4.236 -18.000 1.00 0.00 C ATOM 56 CE3 TRP A 25 -3.214 4.924 -19.916 1.00 0.00 C ATOM 57 CZ2 TRP A 25 -3.420 4.463 -17.144 1.00 0.00 C ATOM 58 CZ3 TRP A 25 -2.151 5.151 -19.070 1.00 0.00 C ATOM 59 CH2 TRP A 25 -2.259 4.924 -17.692 1.00 0.00 C ATOM 0 H TRP A 25 -8.562 2.902 -22.431 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.574 3.135 -23.252 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.222 4.654 -21.967 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -6.890 4.926 -21.506 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.498 3.445 -18.992 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.114 3.529 -16.822 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -3.119 5.105 -20.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.504 4.281 -16.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -1.217 5.511 -19.477 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -1.410 5.117 -17.053 1.00 0.00 H new ATOM 70 N ALA A 26 -5.003 1.311 -20.978 1.00 0.00 N ATOM 71 CA ALA A 26 -3.925 0.312 -20.802 1.00 0.00 C ATOM 72 C ALA A 26 -4.499 -1.059 -20.382 1.00 0.00 C ATOM 73 O ALA A 26 -3.772 -2.056 -20.309 1.00 0.00 O ATOM 74 CB ALA A 26 -2.930 0.824 -19.740 1.00 0.00 C ATOM 0 H ALA A 26 -5.447 1.584 -20.101 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.411 0.177 -21.753 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.133 0.093 -19.605 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.502 1.771 -20.069 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.451 0.971 -18.794 1.00 0.00 H new ATOM 80 N ASN A 27 -5.820 -1.093 -20.134 1.00 0.00 N ATOM 81 CA ASN A 27 -6.511 -2.222 -19.488 1.00 0.00 C ATOM 82 C ASN A 27 -7.748 -2.615 -20.308 1.00 0.00 C ATOM 83 O ASN A 27 -8.546 -1.748 -20.666 1.00 0.00 O ATOM 84 CB ASN A 27 -6.964 -1.815 -18.048 1.00 0.00 C ATOM 85 CG ASN A 27 -5.845 -1.199 -17.205 1.00 0.00 C ATOM 86 OD1 ASN A 27 -5.125 -1.890 -16.492 1.00 0.00 O ATOM 87 ND2 ASN A 27 -5.683 0.115 -17.306 1.00 0.00 N ATOM 0 H ASN A 27 -6.446 -0.326 -20.380 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.825 -3.067 -19.431 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.786 -1.103 -18.122 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.351 -2.696 -17.535 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.942 0.579 -16.781 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.300 0.660 -17.908 1.00 0.00 H new ATOM 94 N ASP A 28 -7.889 -3.920 -20.596 1.00 0.00 N ATOM 95 CA ASP A 28 -9.096 -4.506 -21.214 1.00 0.00 C ATOM 96 C ASP A 28 -9.011 -6.036 -21.146 1.00 0.00 C ATOM 97 O ASP A 28 -7.942 -6.606 -20.872 1.00 0.00 O ATOM 98 CB ASP A 28 -9.279 -4.047 -22.699 1.00 0.00 C ATOM 99 CG ASP A 28 -10.639 -4.425 -23.320 1.00 0.00 C ATOM 100 OD1 ASP A 28 -11.648 -3.763 -22.997 1.00 0.00 O ATOM 101 OD2 ASP A 28 -10.712 -5.401 -24.098 1.00 0.00 O ATOM 0 H ASP A 28 -7.161 -4.608 -20.405 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.963 -4.153 -20.656 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.159 -2.965 -22.749 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.484 -4.485 -23.302 1.00 0.00 H new ATOM 106 N ASP A 29 -10.147 -6.661 -21.437 1.00 0.00 N ATOM 107 CA ASP A 29 -10.332 -8.113 -21.416 1.00 0.00 C ATOM 108 C ASP A 29 -9.469 -8.793 -22.493 1.00 0.00 C ATOM 109 O ASP A 29 -8.707 -9.723 -22.206 1.00 0.00 O ATOM 110 CB ASP A 29 -11.838 -8.430 -21.642 1.00 0.00 C ATOM 111 CG ASP A 29 -12.159 -9.937 -21.684 1.00 0.00 C ATOM 112 OD1 ASP A 29 -12.194 -10.575 -20.609 1.00 0.00 O ATOM 113 OD2 ASP A 29 -12.375 -10.493 -22.784 1.00 0.00 O ATOM 0 H ASP A 29 -10.993 -6.157 -21.703 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.016 -8.503 -20.448 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.420 -7.966 -20.846 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.159 -7.974 -22.579 1.00 0.00 H new ATOM 118 N ALA A 30 -9.582 -8.286 -23.731 1.00 0.00 N ATOM 119 CA ALA A 30 -8.962 -8.886 -24.923 1.00 0.00 C ATOM 120 C ALA A 30 -7.690 -8.116 -25.357 1.00 0.00 C ATOM 121 O ALA A 30 -7.274 -8.187 -26.523 1.00 0.00 O ATOM 122 CB ALA A 30 -10.015 -8.959 -26.044 1.00 0.00 C ATOM 0 H ALA A 30 -10.112 -7.439 -23.935 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.627 -9.897 -24.689 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.569 -9.402 -26.934 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.854 -9.572 -25.715 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.369 -7.955 -26.277 1.00 0.00 H new ATOM 128 N VAL A 31 -7.063 -7.395 -24.401 1.00 0.00 N ATOM 129 CA VAL A 31 -5.721 -6.779 -24.590 1.00 0.00 C ATOM 130 C VAL A 31 -4.761 -7.328 -23.508 1.00 0.00 C ATOM 131 O VAL A 31 -3.535 -7.274 -23.660 1.00 0.00 O ATOM 132 CB VAL A 31 -5.761 -5.188 -24.570 1.00 0.00 C ATOM 133 CG1 VAL A 31 -5.766 -4.603 -23.132 1.00 0.00 C ATOM 134 CG2 VAL A 31 -4.609 -4.576 -25.414 1.00 0.00 C ATOM 0 H VAL A 31 -7.466 -7.222 -23.480 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.359 -7.052 -25.581 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.708 -4.904 -25.030 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.794 -3.515 -23.182 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.643 -4.964 -22.595 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.864 -4.919 -22.607 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.669 -3.488 -25.377 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.650 -4.901 -25.010 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.699 -4.909 -26.448 1.00 0.00 H new ATOM 144 N ASN A 32 -5.353 -7.888 -22.418 1.00 0.00 N ATOM 145 CA ASN A 32 -4.621 -8.603 -21.343 1.00 0.00 C ATOM 146 C ASN A 32 -3.969 -9.903 -21.891 1.00 0.00 C ATOM 147 O ASN A 32 -3.083 -10.484 -21.262 1.00 0.00 O ATOM 148 CB ASN A 32 -5.605 -8.911 -20.173 1.00 0.00 C ATOM 149 CG ASN A 32 -4.975 -9.698 -19.012 1.00 0.00 C ATOM 150 OD1 ASN A 32 -4.414 -9.120 -18.084 1.00 0.00 O ATOM 151 ND2 ASN A 32 -5.078 -11.021 -19.051 1.00 0.00 N ATOM 0 H ASN A 32 -6.360 -7.854 -22.262 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.815 -7.971 -20.969 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -6.000 -7.971 -19.788 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -6.451 -9.476 -20.564 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.686 -11.586 -18.297 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.549 -11.473 -19.834 1.00 0.00 H new ATOM 158 N GLU A 33 -4.414 -10.323 -23.092 1.00 0.00 N ATOM 159 CA GLU A 33 -3.877 -11.495 -23.816 1.00 0.00 C ATOM 160 C GLU A 33 -2.372 -11.301 -24.154 1.00 0.00 C ATOM 161 O GLU A 33 -1.645 -12.271 -24.366 1.00 0.00 O ATOM 162 CB GLU A 33 -4.712 -11.730 -25.114 1.00 0.00 C ATOM 163 CG GLU A 33 -6.247 -11.643 -24.909 1.00 0.00 C ATOM 164 CD GLU A 33 -7.067 -12.008 -26.161 1.00 0.00 C ATOM 165 OE1 GLU A 33 -7.017 -11.246 -27.148 1.00 0.00 O ATOM 166 OE2 GLU A 33 -7.748 -13.056 -26.174 1.00 0.00 O ATOM 0 H GLU A 33 -5.167 -9.852 -23.594 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.957 -12.373 -23.176 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.415 -10.995 -25.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.466 -12.712 -25.518 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.533 -12.307 -24.093 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.505 -10.630 -24.600 1.00 0.00 H new ATOM 173 N GLN A 34 -1.928 -10.027 -24.195 1.00 0.00 N ATOM 174 CA GLN A 34 -0.521 -9.653 -24.474 1.00 0.00 C ATOM 175 C GLN A 34 0.373 -9.836 -23.227 1.00 0.00 C ATOM 176 O GLN A 34 1.594 -10.007 -23.350 1.00 0.00 O ATOM 177 CB GLN A 34 -0.469 -8.188 -24.979 1.00 0.00 C ATOM 178 CG GLN A 34 -1.376 -7.933 -26.205 1.00 0.00 C ATOM 179 CD GLN A 34 -1.420 -6.472 -26.668 1.00 0.00 C ATOM 180 OE1 GLN A 34 -1.653 -6.256 -27.953 1.00 0.00 O flip ATOM 181 NE2 GLN A 34 -1.262 -5.547 -25.875 1.00 0.00 N flip ATOM 0 H GLN A 34 -2.536 -9.224 -24.035 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.132 -10.316 -25.247 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.767 -7.521 -24.170 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.559 -7.936 -25.238 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.031 -8.553 -27.032 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.389 -8.256 -25.966 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.084 -5.744 -24.890 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.309 -4.582 -26.201 1.00 0.00 H new ATOM 190 N ILE A 35 -0.251 -9.776 -22.032 1.00 0.00 N ATOM 191 CA ILE A 35 0.411 -10.079 -20.737 1.00 0.00 C ATOM 192 C ILE A 35 0.680 -11.597 -20.652 1.00 0.00 C ATOM 193 O ILE A 35 1.698 -12.047 -20.102 1.00 0.00 O ATOM 194 CB ILE A 35 -0.484 -9.614 -19.519 1.00 0.00 C ATOM 195 CG1 ILE A 35 -0.850 -8.096 -19.642 1.00 0.00 C ATOM 196 CG2 ILE A 35 0.179 -9.922 -18.146 1.00 0.00 C ATOM 197 CD1 ILE A 35 0.338 -7.138 -19.637 1.00 0.00 C ATOM 0 H ILE A 35 -1.232 -9.515 -21.933 1.00 0.00 H new ATOM 0 HA ILE A 35 1.353 -9.533 -20.685 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.406 -10.194 -19.560 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.412 -7.948 -20.564 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.513 -7.831 -18.819 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.475 -9.584 -17.342 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.342 -10.996 -18.053 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.135 -9.403 -18.079 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.021 -6.113 -19.727 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.891 -7.249 -18.704 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.994 -7.367 -20.477 1.00 0.00 H new ATOM 209 N ASN A 36 -0.266 -12.363 -21.217 1.00 0.00 N ATOM 210 CA ASN A 36 -0.157 -13.819 -21.389 1.00 0.00 C ATOM 211 C ASN A 36 0.876 -14.147 -22.503 1.00 0.00 C ATOM 212 O ASN A 36 1.203 -13.280 -23.326 1.00 0.00 O ATOM 213 CB ASN A 36 -1.565 -14.386 -21.731 1.00 0.00 C ATOM 214 CG ASN A 36 -1.654 -15.912 -21.805 1.00 0.00 C ATOM 215 OD1 ASN A 36 -0.932 -16.630 -21.115 1.00 0.00 O ATOM 216 ND2 ASN A 36 -2.554 -16.416 -22.638 1.00 0.00 N ATOM 0 H ASN A 36 -1.142 -11.981 -21.573 1.00 0.00 H new ATOM 0 HA ASN A 36 0.196 -14.285 -20.469 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.273 -14.033 -20.981 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.882 -13.973 -22.688 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.663 -17.427 -22.720 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.137 -15.793 -23.196 1.00 0.00 H new ATOM 223 N SER A 37 1.387 -15.395 -22.483 1.00 0.00 N ATOM 224 CA SER A 37 2.403 -15.929 -23.423 1.00 0.00 C ATOM 225 C SER A 37 3.837 -15.463 -23.106 1.00 0.00 C ATOM 226 O SER A 37 4.786 -15.892 -23.775 1.00 0.00 O ATOM 227 CB SER A 37 2.026 -15.701 -24.917 1.00 0.00 C ATOM 228 OG SER A 37 0.803 -16.358 -25.229 1.00 0.00 O ATOM 0 H SER A 37 1.096 -16.085 -21.790 1.00 0.00 H new ATOM 0 HA SER A 37 2.398 -17.007 -23.263 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.933 -14.633 -25.116 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.822 -16.077 -25.560 1.00 0.00 H new ATOM 0 HG SER A 37 0.762 -17.215 -24.755 1.00 0.00 H new ATOM 234 N THR A 38 3.997 -14.636 -22.057 1.00 0.00 N ATOM 235 CA THR A 38 5.313 -14.159 -21.584 1.00 0.00 C ATOM 236 C THR A 38 6.109 -15.295 -20.899 1.00 0.00 C ATOM 237 O THR A 38 7.277 -15.548 -21.224 1.00 0.00 O ATOM 238 CB THR A 38 5.133 -12.960 -20.585 1.00 0.00 C ATOM 239 OG1 THR A 38 4.413 -11.898 -21.233 1.00 0.00 O ATOM 240 CG2 THR A 38 6.484 -12.423 -20.062 1.00 0.00 C ATOM 0 H THR A 38 3.215 -14.277 -21.510 1.00 0.00 H new ATOM 0 HA THR A 38 5.876 -13.822 -22.454 1.00 0.00 H new ATOM 0 HB THR A 38 4.573 -13.331 -19.727 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.493 -11.873 -20.895 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.305 -11.595 -19.375 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.015 -13.219 -19.540 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.086 -12.075 -20.901 1.00 0.00 H new ATOM 248 N ILE A 39 5.434 -15.991 -19.980 1.00 0.00 N ATOM 249 CA ILE A 39 6.066 -16.985 -19.087 1.00 0.00 C ATOM 250 C ILE A 39 6.350 -18.283 -19.865 1.00 0.00 C ATOM 251 O ILE A 39 7.390 -18.922 -19.676 1.00 0.00 O ATOM 252 CB ILE A 39 5.177 -17.308 -17.808 1.00 0.00 C ATOM 253 CG1 ILE A 39 4.775 -16.002 -17.017 1.00 0.00 C ATOM 254 CG2 ILE A 39 5.894 -18.321 -16.867 1.00 0.00 C ATOM 255 CD1 ILE A 39 3.631 -15.186 -17.615 1.00 0.00 C ATOM 0 H ILE A 39 4.431 -15.886 -19.828 1.00 0.00 H new ATOM 0 HA ILE A 39 7.000 -16.550 -18.731 1.00 0.00 H new ATOM 0 HB ILE A 39 4.256 -17.765 -18.171 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.501 -16.286 -16.001 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.653 -15.361 -16.943 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.263 -18.523 -16.001 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.079 -19.250 -17.406 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.843 -17.900 -16.534 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.441 -14.313 -16.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.902 -14.861 -18.619 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.732 -15.800 -17.663 1.00 0.00 H new ATOM 267 N GLU A 40 5.428 -18.634 -20.775 1.00 0.00 N ATOM 268 CA GLU A 40 5.528 -19.863 -21.579 1.00 0.00 C ATOM 269 C GLU A 40 6.610 -19.713 -22.673 1.00 0.00 C ATOM 270 O GLU A 40 7.184 -20.705 -23.122 1.00 0.00 O ATOM 271 CB GLU A 40 4.148 -20.214 -22.185 1.00 0.00 C ATOM 272 CG GLU A 40 3.688 -19.289 -23.322 1.00 0.00 C ATOM 273 CD GLU A 40 2.290 -19.634 -23.855 1.00 0.00 C ATOM 274 OE1 GLU A 40 2.176 -20.498 -24.748 1.00 0.00 O ATOM 275 OE2 GLU A 40 1.295 -19.040 -23.384 1.00 0.00 O ATOM 0 H GLU A 40 4.596 -18.078 -20.974 1.00 0.00 H new ATOM 0 HA GLU A 40 5.832 -20.687 -20.933 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.181 -21.237 -22.559 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.402 -20.189 -21.391 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.690 -18.259 -22.967 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.406 -19.345 -24.140 1.00 0.00 H new ATOM 282 N ASP A 41 6.891 -18.452 -23.072 1.00 0.00 N ATOM 283 CA ASP A 41 8.000 -18.122 -23.995 1.00 0.00 C ATOM 284 C ASP A 41 9.352 -18.517 -23.369 1.00 0.00 C ATOM 285 O ASP A 41 10.266 -18.974 -24.068 1.00 0.00 O ATOM 286 CB ASP A 41 7.972 -16.609 -24.338 1.00 0.00 C ATOM 287 CG ASP A 41 9.142 -16.157 -25.239 1.00 0.00 C ATOM 288 OD1 ASP A 41 9.039 -16.282 -26.473 1.00 0.00 O ATOM 289 OD2 ASP A 41 10.174 -15.670 -24.714 1.00 0.00 O ATOM 0 H ASP A 41 6.358 -17.638 -22.765 1.00 0.00 H new ATOM 0 HA ASP A 41 7.875 -18.688 -24.918 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.031 -16.375 -24.835 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.995 -16.035 -23.412 1.00 0.00 H new ATOM 294 N ALA A 42 9.456 -18.332 -22.041 1.00 0.00 N ATOM 295 CA ALA A 42 10.642 -18.732 -21.265 1.00 0.00 C ATOM 296 C ALA A 42 10.818 -20.260 -21.277 1.00 0.00 C ATOM 297 O ALA A 42 11.938 -20.770 -21.329 1.00 0.00 O ATOM 298 CB ALA A 42 10.541 -18.196 -19.836 1.00 0.00 C ATOM 0 H ALA A 42 8.722 -17.902 -21.477 1.00 0.00 H new ATOM 0 HA ALA A 42 11.526 -18.298 -21.732 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.423 -18.498 -19.271 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.479 -17.108 -19.859 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.648 -18.600 -19.358 1.00 0.00 H new ATOM 304 N ILE A 43 9.696 -20.975 -21.265 1.00 0.00 N ATOM 305 CA ILE A 43 9.681 -22.446 -21.279 1.00 0.00 C ATOM 306 C ILE A 43 10.008 -22.978 -22.704 1.00 0.00 C ATOM 307 O ILE A 43 10.598 -24.063 -22.869 1.00 0.00 O ATOM 308 CB ILE A 43 8.286 -22.978 -20.780 1.00 0.00 C ATOM 309 CG1 ILE A 43 7.873 -22.309 -19.422 1.00 0.00 C ATOM 310 CG2 ILE A 43 8.281 -24.513 -20.646 1.00 0.00 C ATOM 311 CD1 ILE A 43 8.844 -22.524 -18.265 1.00 0.00 C ATOM 0 H ILE A 43 8.767 -20.555 -21.245 1.00 0.00 H new ATOM 0 HA ILE A 43 10.449 -22.815 -20.599 1.00 0.00 H new ATOM 0 HB ILE A 43 7.550 -22.702 -21.535 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.759 -21.237 -19.584 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.895 -22.693 -19.130 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.302 -24.845 -20.299 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.495 -24.964 -21.615 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.043 -24.818 -19.928 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.466 -22.022 -17.375 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.942 -23.591 -18.066 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.819 -22.113 -18.527 1.00 0.00 H new ATOM 323 N ALA A 44 9.643 -22.178 -23.721 1.00 0.00 N ATOM 324 CA ALA A 44 9.917 -22.475 -25.138 1.00 0.00 C ATOM 325 C ALA A 44 11.416 -22.293 -25.470 1.00 0.00 C ATOM 326 O ALA A 44 11.980 -23.065 -26.249 1.00 0.00 O ATOM 327 CB ALA A 44 9.045 -21.590 -26.039 1.00 0.00 C ATOM 0 H ALA A 44 9.145 -21.299 -23.581 1.00 0.00 H new ATOM 0 HA ALA A 44 9.666 -23.519 -25.324 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.255 -21.817 -27.084 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.993 -21.783 -25.830 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.267 -20.541 -25.844 1.00 0.00 H new ATOM 333 N ARG A 45 12.063 -21.271 -24.865 1.00 0.00 N ATOM 334 CA ARG A 45 13.511 -21.014 -25.058 1.00 0.00 C ATOM 335 C ARG A 45 14.356 -21.896 -24.108 1.00 0.00 C ATOM 336 O ARG A 45 15.582 -21.963 -24.242 1.00 0.00 O ATOM 337 CB ARG A 45 13.830 -19.504 -24.835 1.00 0.00 C ATOM 338 CG ARG A 45 13.721 -19.038 -23.366 1.00 0.00 C ATOM 339 CD ARG A 45 13.888 -17.523 -23.177 1.00 0.00 C ATOM 340 NE ARG A 45 13.799 -17.146 -21.748 1.00 0.00 N ATOM 341 CZ ARG A 45 13.440 -15.946 -21.276 1.00 0.00 C ATOM 342 NH1 ARG A 45 13.122 -14.955 -22.096 1.00 0.00 N ATOM 343 NH2 ARG A 45 13.395 -15.751 -19.972 1.00 0.00 N ATOM 0 H ARG A 45 11.606 -20.609 -24.238 1.00 0.00 H new ATOM 0 HA ARG A 45 13.772 -21.274 -26.084 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.839 -19.302 -25.193 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.150 -18.908 -25.444 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.750 -19.338 -22.972 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.478 -19.553 -22.775 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.851 -17.208 -23.579 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.119 -16.997 -23.743 1.00 0.00 H new ATOM 0 HE ARG A 45 14.032 -17.864 -21.062 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.148 -15.100 -23.105 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.851 -14.047 -21.718 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.632 -16.511 -19.334 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.123 -14.840 -19.602 1.00 0.00 H new ATOM 357 N ALA A 46 13.691 -22.560 -23.136 1.00 0.00 N ATOM 358 CA ALA A 46 14.356 -23.453 -22.172 1.00 0.00 C ATOM 359 C ALA A 46 14.531 -24.861 -22.771 1.00 0.00 C ATOM 360 O ALA A 46 15.658 -25.291 -23.040 1.00 0.00 O ATOM 361 CB ALA A 46 13.564 -23.509 -20.858 1.00 0.00 C ATOM 0 H ALA A 46 12.682 -22.490 -23.001 1.00 0.00 H new ATOM 0 HA ALA A 46 15.347 -23.053 -21.954 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.069 -24.173 -20.157 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.500 -22.509 -20.429 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.560 -23.885 -21.054 1.00 0.00 H new ATOM 367 N ARG A 47 13.399 -25.566 -23.006 1.00 0.00 N ATOM 368 CA ARG A 47 13.402 -26.970 -23.494 1.00 0.00 C ATOM 369 C ARG A 47 12.496 -27.161 -24.724 1.00 0.00 C ATOM 370 O ARG A 47 12.358 -28.285 -25.216 1.00 0.00 O ATOM 371 CB ARG A 47 12.987 -27.941 -22.350 1.00 0.00 C ATOM 372 CG ARG A 47 11.587 -27.671 -21.744 1.00 0.00 C ATOM 373 CD ARG A 47 11.149 -28.764 -20.745 1.00 0.00 C ATOM 374 NE ARG A 47 11.008 -30.082 -21.395 1.00 0.00 N ATOM 375 CZ ARG A 47 10.659 -31.226 -20.784 1.00 0.00 C ATOM 376 NH1 ARG A 47 10.406 -31.255 -19.484 1.00 0.00 N ATOM 377 NH2 ARG A 47 10.574 -32.344 -21.489 1.00 0.00 N ATOM 0 H ARG A 47 12.464 -25.183 -22.865 1.00 0.00 H new ATOM 0 HA ARG A 47 14.419 -27.204 -23.808 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.011 -28.962 -22.732 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.730 -27.881 -21.554 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.594 -26.705 -21.239 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.854 -27.605 -22.548 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.880 -28.833 -19.940 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.200 -28.480 -20.290 1.00 0.00 H new ATOM 0 HE ARG A 47 11.192 -30.128 -22.397 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.475 -30.400 -18.932 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.142 -32.132 -19.035 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.773 -32.333 -22.489 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.310 -33.216 -21.032 1.00 0.00 H new ATOM 391 N GLY A 48 11.892 -26.060 -25.223 1.00 0.00 N ATOM 392 CA GLY A 48 11.004 -26.115 -26.402 1.00 0.00 C ATOM 393 C GLY A 48 9.679 -26.802 -26.123 1.00 0.00 C ATOM 394 O GLY A 48 9.026 -27.301 -27.043 1.00 0.00 O ATOM 0 H GLY A 48 12.004 -25.126 -24.828 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.813 -25.101 -26.752 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.515 -26.640 -27.209 1.00 0.00 H new ATOM 398 N GLU A 49 9.291 -26.821 -24.836 1.00 0.00 N ATOM 399 CA GLU A 49 8.051 -27.467 -24.357 1.00 0.00 C ATOM 400 C GLU A 49 6.812 -26.793 -24.971 1.00 0.00 C ATOM 401 O GLU A 49 5.842 -27.449 -25.354 1.00 0.00 O ATOM 402 CB GLU A 49 8.000 -27.375 -22.816 1.00 0.00 C ATOM 403 CG GLU A 49 6.790 -28.052 -22.150 1.00 0.00 C ATOM 404 CD GLU A 49 6.740 -29.573 -22.378 1.00 0.00 C ATOM 405 OE1 GLU A 49 7.531 -30.306 -21.739 1.00 0.00 O ATOM 406 OE2 GLU A 49 5.925 -30.046 -23.202 1.00 0.00 O ATOM 0 H GLU A 49 9.833 -26.385 -24.090 1.00 0.00 H new ATOM 0 HA GLU A 49 8.050 -28.513 -24.664 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.910 -27.820 -22.413 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.007 -26.323 -22.532 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.816 -27.853 -21.079 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.874 -27.604 -22.536 1.00 0.00 H new ATOM 413 N ILE A 50 6.866 -25.468 -25.020 1.00 0.00 N ATOM 414 CA ILE A 50 5.870 -24.636 -25.682 1.00 0.00 C ATOM 415 C ILE A 50 6.244 -24.499 -27.178 1.00 0.00 C ATOM 416 O ILE A 50 7.434 -24.334 -27.492 1.00 0.00 O ATOM 417 CB ILE A 50 5.810 -23.240 -24.960 1.00 0.00 C ATOM 418 CG1 ILE A 50 5.340 -23.427 -23.479 1.00 0.00 C ATOM 419 CG2 ILE A 50 4.936 -22.206 -25.714 1.00 0.00 C ATOM 420 CD1 ILE A 50 3.918 -23.961 -23.309 1.00 0.00 C ATOM 0 H ILE A 50 7.620 -24.931 -24.591 1.00 0.00 H new ATOM 0 HA ILE A 50 4.880 -25.088 -25.623 1.00 0.00 H new ATOM 0 HB ILE A 50 6.818 -22.825 -24.961 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.029 -24.108 -22.980 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.414 -22.467 -22.967 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.934 -21.263 -25.167 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.343 -22.045 -26.712 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.916 -22.581 -25.794 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.689 -24.055 -22.247 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.213 -23.272 -23.773 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.837 -24.938 -23.785 1.00 0.00 H new ATOM 432 N PRO A 51 5.245 -24.589 -28.121 1.00 0.00 N ATOM 433 CA PRO A 51 5.499 -24.454 -29.581 1.00 0.00 C ATOM 434 C PRO A 51 5.951 -23.035 -29.997 1.00 0.00 C ATOM 435 O PRO A 51 6.218 -22.169 -29.155 1.00 0.00 O ATOM 436 CB PRO A 51 4.124 -24.827 -30.210 1.00 0.00 C ATOM 437 CG PRO A 51 3.123 -24.485 -29.154 1.00 0.00 C ATOM 438 CD PRO A 51 3.794 -24.845 -27.846 1.00 0.00 C ATOM 0 HA PRO A 51 6.321 -25.088 -29.914 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.942 -24.266 -31.126 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.081 -25.885 -30.470 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.862 -23.427 -29.186 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.198 -25.046 -29.290 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.426 -24.232 -27.023 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.613 -25.885 -27.574 1.00 0.00 H new ATOM 446 N ARG A 52 5.997 -22.811 -31.321 1.00 0.00 N ATOM 447 CA ARG A 52 6.386 -21.514 -31.928 1.00 0.00 C ATOM 448 C ARG A 52 5.312 -20.423 -31.699 1.00 0.00 C ATOM 449 O ARG A 52 5.548 -19.242 -31.978 1.00 0.00 O ATOM 450 CB ARG A 52 6.629 -21.702 -33.458 1.00 0.00 C ATOM 451 CG ARG A 52 7.673 -22.789 -33.827 1.00 0.00 C ATOM 452 CD ARG A 52 9.062 -22.551 -33.190 1.00 0.00 C ATOM 453 NE ARG A 52 9.626 -21.234 -33.541 1.00 0.00 N ATOM 454 CZ ARG A 52 10.381 -20.964 -34.617 1.00 0.00 C ATOM 455 NH1 ARG A 52 10.662 -21.898 -35.510 1.00 0.00 N ATOM 456 NH2 ARG A 52 10.842 -19.745 -34.798 1.00 0.00 N ATOM 0 H ARG A 52 5.765 -23.526 -32.010 1.00 0.00 H new ATOM 0 HA ARG A 52 7.304 -21.182 -31.442 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.681 -21.954 -33.933 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.953 -20.750 -33.879 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.299 -23.763 -33.511 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.781 -22.825 -34.911 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.979 -22.630 -32.106 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.747 -23.334 -33.516 1.00 0.00 H new ATOM 0 HE ARG A 52 9.424 -20.459 -32.909 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.303 -22.845 -35.388 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.238 -21.672 -36.321 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.625 -19.012 -34.123 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.416 -19.533 -35.614 1.00 0.00 H new ATOM 470 N GLY A 53 4.142 -20.836 -31.181 1.00 0.00 N ATOM 471 CA GLY A 53 2.974 -19.964 -31.021 1.00 0.00 C ATOM 472 C GLY A 53 1.834 -20.416 -31.922 1.00 0.00 C ATOM 473 O GLY A 53 1.007 -19.606 -32.346 1.00 0.00 O ATOM 0 H GLY A 53 3.983 -21.791 -30.861 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.647 -19.974 -29.981 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.247 -18.936 -31.260 1.00 0.00 H new ATOM 477 N GLU A 54 1.810 -21.732 -32.219 1.00 0.00 N ATOM 478 CA GLU A 54 0.819 -22.349 -33.118 1.00 0.00 C ATOM 479 C GLU A 54 -0.478 -22.716 -32.364 1.00 0.00 C ATOM 480 O GLU A 54 -0.556 -22.590 -31.138 1.00 0.00 O ATOM 481 CB GLU A 54 1.420 -23.608 -33.804 1.00 0.00 C ATOM 482 CG GLU A 54 2.689 -23.328 -34.630 1.00 0.00 C ATOM 483 CD GLU A 54 3.121 -24.534 -35.478 1.00 0.00 C ATOM 484 OE1 GLU A 54 3.761 -25.451 -34.938 1.00 0.00 O ATOM 485 OE2 GLU A 54 2.789 -24.579 -36.684 1.00 0.00 O ATOM 0 H GLU A 54 2.482 -22.398 -31.838 1.00 0.00 H new ATOM 0 HA GLU A 54 0.563 -21.616 -33.884 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.653 -24.349 -33.039 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.665 -24.049 -34.455 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.511 -22.474 -35.284 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.502 -23.051 -33.958 1.00 0.00 H new ATOM 492 N SER A 55 -1.483 -23.170 -33.126 1.00 0.00 N ATOM 493 CA SER A 55 -2.811 -23.531 -32.610 1.00 0.00 C ATOM 494 C SER A 55 -2.802 -24.914 -31.939 1.00 0.00 C ATOM 495 O SER A 55 -1.964 -25.768 -32.248 1.00 0.00 O ATOM 496 CB SER A 55 -3.844 -23.505 -33.761 1.00 0.00 C ATOM 497 OG SER A 55 -5.113 -23.990 -33.343 1.00 0.00 O ATOM 0 H SER A 55 -1.395 -23.299 -34.134 1.00 0.00 H new ATOM 0 HA SER A 55 -3.089 -22.798 -31.852 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.949 -22.486 -34.132 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.479 -24.110 -34.591 1.00 0.00 H new ATOM 0 HG SER A 55 -5.286 -23.702 -32.423 1.00 0.00 H new ATOM 503 N LEU A 56 -3.771 -25.110 -31.039 1.00 0.00 N ATOM 504 CA LEU A 56 -4.003 -26.378 -30.313 1.00 0.00 C ATOM 505 C LEU A 56 -5.311 -27.041 -30.826 1.00 0.00 C ATOM 506 O LEU A 56 -6.014 -26.464 -31.663 1.00 0.00 O ATOM 507 CB LEU A 56 -4.026 -26.086 -28.765 1.00 0.00 C ATOM 508 CG LEU A 56 -4.677 -24.725 -28.304 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.186 -24.675 -28.568 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.381 -24.407 -26.823 1.00 0.00 C ATOM 0 H LEU A 56 -4.435 -24.379 -30.784 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.197 -27.087 -30.499 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.559 -26.900 -28.274 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.999 -26.112 -28.400 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.208 -23.954 -28.915 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.583 -23.717 -28.232 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.373 -24.790 -29.636 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.677 -25.482 -28.024 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.850 -23.461 -26.553 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.780 -25.202 -26.193 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.304 -24.333 -26.675 1.00 0.00 H new ATOM 522 N ASP A 57 -5.625 -28.248 -30.318 1.00 0.00 N ATOM 523 CA ASP A 57 -6.857 -29.008 -30.690 1.00 0.00 C ATOM 524 C ASP A 57 -7.810 -29.149 -29.477 1.00 0.00 C ATOM 525 O ASP A 57 -8.873 -29.776 -29.573 1.00 0.00 O ATOM 526 CB ASP A 57 -6.487 -30.407 -31.264 1.00 0.00 C ATOM 527 CG ASP A 57 -5.883 -31.363 -30.215 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.687 -31.206 -29.877 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.594 -32.271 -29.730 1.00 0.00 O ATOM 0 H ASP A 57 -5.039 -28.732 -29.638 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.379 -28.446 -31.465 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.381 -30.864 -31.689 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.776 -30.279 -32.080 1.00 0.00 H new ATOM 534 N GLU A 58 -7.452 -28.487 -28.364 1.00 0.00 N ATOM 535 CA GLU A 58 -8.166 -28.566 -27.075 1.00 0.00 C ATOM 536 C GLU A 58 -8.272 -27.152 -26.487 1.00 0.00 C ATOM 537 O GLU A 58 -7.250 -26.538 -26.184 1.00 0.00 O ATOM 538 CB GLU A 58 -7.407 -29.483 -26.070 1.00 0.00 C ATOM 539 CG GLU A 58 -7.379 -30.978 -26.438 1.00 0.00 C ATOM 540 CD GLU A 58 -6.329 -31.753 -25.637 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.157 -31.785 -26.071 1.00 0.00 O ATOM 542 OE2 GLU A 58 -6.643 -32.279 -24.550 1.00 0.00 O ATOM 0 H GLU A 58 -6.641 -27.869 -28.333 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.156 -28.990 -27.245 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.380 -29.128 -25.983 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.866 -29.376 -25.087 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.363 -31.412 -26.260 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.172 -31.084 -27.503 1.00 0.00 H new ATOM 549 N CYS A 59 -9.506 -26.634 -26.402 1.00 0.00 N ATOM 550 CA CYS A 59 -9.829 -25.363 -25.709 1.00 0.00 C ATOM 551 C CYS A 59 -9.214 -25.343 -24.304 1.00 0.00 C ATOM 552 O CYS A 59 -9.538 -26.200 -23.502 1.00 0.00 O ATOM 553 CB CYS A 59 -11.362 -25.234 -25.625 1.00 0.00 C ATOM 554 SG CYS A 59 -11.984 -23.742 -24.799 1.00 0.00 S ATOM 0 H CYS A 59 -10.322 -27.086 -26.815 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.413 -24.523 -26.265 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.766 -25.262 -26.637 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.753 -26.106 -25.101 1.00 0.00 H new ATOM 559 N GLU A 60 -8.337 -24.371 -24.004 1.00 0.00 N ATOM 560 CA GLU A 60 -7.604 -24.359 -22.715 1.00 0.00 C ATOM 561 C GLU A 60 -8.516 -23.968 -21.534 1.00 0.00 C ATOM 562 O GLU A 60 -8.093 -24.013 -20.380 1.00 0.00 O ATOM 563 CB GLU A 60 -6.369 -23.429 -22.788 1.00 0.00 C ATOM 564 CG GLU A 60 -6.681 -21.946 -23.091 1.00 0.00 C ATOM 565 CD GLU A 60 -5.435 -21.048 -23.004 1.00 0.00 C ATOM 566 OE1 GLU A 60 -4.500 -21.248 -23.803 1.00 0.00 O ATOM 567 OE2 GLU A 60 -5.379 -20.136 -22.151 1.00 0.00 O ATOM 0 H GLU A 60 -8.116 -23.591 -24.623 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.258 -25.377 -22.534 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.835 -23.485 -21.839 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.694 -23.806 -23.556 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.113 -21.866 -24.089 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.433 -21.586 -22.389 1.00 0.00 H new ATOM 574 N GLU A 61 -9.775 -23.593 -21.839 1.00 0.00 N ATOM 575 CA GLU A 61 -10.775 -23.224 -20.838 1.00 0.00 C ATOM 576 C GLU A 61 -11.654 -24.442 -20.512 1.00 0.00 C ATOM 577 O GLU A 61 -11.517 -25.045 -19.450 1.00 0.00 O ATOM 578 CB GLU A 61 -11.641 -22.052 -21.370 1.00 0.00 C ATOM 579 CG GLU A 61 -10.849 -20.848 -21.893 1.00 0.00 C ATOM 580 CD GLU A 61 -9.950 -20.186 -20.836 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.469 -19.403 -20.012 1.00 0.00 O ATOM 582 OE2 GLU A 61 -8.722 -20.421 -20.829 1.00 0.00 O ATOM 0 H GLU A 61 -10.121 -23.540 -22.797 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.275 -22.900 -19.925 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.278 -22.425 -22.172 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.300 -21.715 -20.570 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.231 -21.169 -22.732 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.548 -20.105 -22.278 1.00 0.00 H new ATOM 589 N CYS A 62 -12.533 -24.827 -21.466 1.00 0.00 N ATOM 590 CA CYS A 62 -13.545 -25.883 -21.232 1.00 0.00 C ATOM 591 C CYS A 62 -13.179 -27.216 -21.931 1.00 0.00 C ATOM 592 O CYS A 62 -14.023 -28.107 -22.031 1.00 0.00 O ATOM 593 CB CYS A 62 -14.953 -25.373 -21.665 1.00 0.00 C ATOM 594 SG CYS A 62 -15.270 -25.281 -23.466 1.00 0.00 S ATOM 0 H CYS A 62 -12.562 -24.423 -22.402 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.565 -26.099 -20.164 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.704 -26.025 -21.219 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.101 -24.380 -21.241 1.00 0.00 H new ATOM 599 N GLY A 63 -11.899 -27.335 -22.392 1.00 0.00 N ATOM 600 CA GLY A 63 -11.350 -28.557 -23.049 1.00 0.00 C ATOM 601 C GLY A 63 -12.192 -29.119 -24.185 1.00 0.00 C ATOM 602 O GLY A 63 -12.166 -30.320 -24.451 1.00 0.00 O ATOM 0 H GLY A 63 -11.217 -26.580 -22.317 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.357 -28.327 -23.434 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.227 -29.332 -22.292 1.00 0.00 H new ATOM 606 N ALA A 64 -12.945 -28.236 -24.846 1.00 0.00 N ATOM 607 CA ALA A 64 -13.804 -28.600 -25.977 1.00 0.00 C ATOM 608 C ALA A 64 -12.965 -28.660 -27.268 1.00 0.00 C ATOM 609 O ALA A 64 -12.056 -27.824 -27.426 1.00 0.00 O ATOM 610 CB ALA A 64 -14.939 -27.579 -26.109 1.00 0.00 C ATOM 0 H ALA A 64 -12.976 -27.244 -24.611 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.242 -29.583 -25.806 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.577 -27.851 -26.950 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.530 -27.571 -25.193 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.519 -26.588 -26.278 1.00 0.00 H new ATOM 616 N PRO A 65 -13.240 -29.639 -28.195 1.00 0.00 N ATOM 617 CA PRO A 65 -12.528 -29.757 -29.491 1.00 0.00 C ATOM 618 C PRO A 65 -12.462 -28.426 -30.279 1.00 0.00 C ATOM 619 O PRO A 65 -13.491 -27.797 -30.552 1.00 0.00 O ATOM 620 CB PRO A 65 -13.359 -30.813 -30.259 1.00 0.00 C ATOM 621 CG PRO A 65 -13.935 -31.671 -29.180 1.00 0.00 C ATOM 622 CD PRO A 65 -14.258 -30.723 -28.045 1.00 0.00 C ATOM 0 HA PRO A 65 -11.483 -30.033 -29.350 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.141 -30.347 -30.859 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.737 -31.393 -30.941 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.829 -32.190 -29.525 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.225 -32.435 -28.864 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.273 -30.334 -28.124 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.180 -31.216 -27.076 1.00 0.00 H new ATOM 630 N ILE A 66 -11.230 -27.983 -30.557 1.00 0.00 N ATOM 631 CA ILE A 66 -10.958 -26.809 -31.395 1.00 0.00 C ATOM 632 C ILE A 66 -11.199 -27.176 -32.874 1.00 0.00 C ATOM 633 O ILE A 66 -10.538 -28.093 -33.385 1.00 0.00 O ATOM 634 CB ILE A 66 -9.474 -26.318 -31.188 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.235 -25.957 -29.700 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.117 -25.120 -32.115 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.822 -24.650 -29.266 1.00 0.00 C ATOM 0 H ILE A 66 -10.386 -28.434 -30.203 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.628 -25.998 -31.109 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.812 -27.139 -31.465 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.650 -26.750 -29.078 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.161 -25.936 -29.514 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.085 -24.817 -31.937 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.232 -25.419 -33.157 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.783 -24.284 -31.902 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.603 -24.485 -28.211 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.389 -23.843 -29.857 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.902 -24.669 -29.414 1.00 0.00 H new ATOM 649 N PRO A 67 -12.151 -26.488 -33.577 1.00 0.00 N ATOM 650 CA PRO A 67 -12.415 -26.744 -35.004 1.00 0.00 C ATOM 651 C PRO A 67 -11.268 -26.200 -35.884 1.00 0.00 C ATOM 652 O PRO A 67 -10.630 -25.187 -35.539 1.00 0.00 O ATOM 653 CB PRO A 67 -13.754 -26.006 -35.257 1.00 0.00 C ATOM 654 CG PRO A 67 -13.758 -24.886 -34.264 1.00 0.00 C ATOM 655 CD PRO A 67 -13.034 -25.413 -33.043 1.00 0.00 C ATOM 0 HA PRO A 67 -12.476 -27.803 -35.253 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.814 -25.631 -36.279 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.607 -26.669 -35.111 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.257 -24.006 -34.666 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.776 -24.587 -34.016 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.456 -24.629 -32.554 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.733 -25.803 -32.303 1.00 0.00 H new ATOM 663 N GLN A 68 -11.032 -26.881 -37.017 1.00 0.00 N ATOM 664 CA GLN A 68 -9.931 -26.572 -37.944 1.00 0.00 C ATOM 665 C GLN A 68 -10.077 -25.148 -38.531 1.00 0.00 C ATOM 666 O GLN A 68 -9.088 -24.533 -38.928 1.00 0.00 O ATOM 667 CB GLN A 68 -9.863 -27.654 -39.068 1.00 0.00 C ATOM 668 CG GLN A 68 -11.057 -27.657 -40.083 1.00 0.00 C ATOM 669 CD GLN A 68 -10.738 -27.073 -41.475 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.752 -26.181 -41.572 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.367 -27.441 -42.470 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.605 -27.669 -37.318 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.991 -26.593 -37.392 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.937 -27.514 -39.626 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.807 -28.636 -38.598 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.404 -28.683 -40.208 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.882 -27.092 -39.650 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.118 -28.125 -42.375 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.136 -27.062 -43.388 1.00 0.00 H new ATOM 680 N ALA A 69 -11.329 -24.646 -38.550 1.00 0.00 N ATOM 681 CA ALA A 69 -11.672 -23.306 -39.051 1.00 0.00 C ATOM 682 C ALA A 69 -11.034 -22.213 -38.164 1.00 0.00 C ATOM 683 O ALA A 69 -10.552 -21.192 -38.668 1.00 0.00 O ATOM 684 CB ALA A 69 -13.204 -23.158 -39.109 1.00 0.00 C ATOM 0 H ALA A 69 -12.137 -25.169 -38.213 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.272 -23.183 -40.057 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.460 -22.166 -39.480 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.617 -23.913 -39.778 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.620 -23.290 -38.110 1.00 0.00 H new ATOM 690 N ARG A 70 -11.028 -22.445 -36.834 1.00 0.00 N ATOM 691 CA ARG A 70 -10.372 -21.535 -35.865 1.00 0.00 C ATOM 692 C ARG A 70 -8.843 -21.650 -35.940 1.00 0.00 C ATOM 693 O ARG A 70 -8.133 -20.654 -35.780 1.00 0.00 O ATOM 694 CB ARG A 70 -10.859 -21.821 -34.419 1.00 0.00 C ATOM 695 CG ARG A 70 -12.349 -21.483 -34.146 1.00 0.00 C ATOM 696 CD ARG A 70 -12.676 -19.966 -34.175 1.00 0.00 C ATOM 697 NE ARG A 70 -12.592 -19.376 -35.529 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.402 -18.078 -35.804 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.304 -17.179 -34.847 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.312 -17.683 -37.054 1.00 0.00 N ATOM 0 H ARG A 70 -11.471 -23.257 -36.404 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.652 -20.516 -36.132 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.696 -22.876 -34.200 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.241 -21.252 -33.725 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.966 -21.990 -34.888 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.628 -21.884 -33.172 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.680 -19.810 -33.780 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.988 -19.440 -33.514 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.687 -20.011 -36.321 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.373 -17.464 -33.870 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.159 -16.197 -35.082 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.387 -18.363 -37.810 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.167 -16.696 -37.268 1.00 0.00 H new ATOM 714 N ARG A 71 -8.362 -22.885 -36.178 1.00 0.00 N ATOM 715 CA ARG A 71 -6.923 -23.206 -36.245 1.00 0.00 C ATOM 716 C ARG A 71 -6.239 -22.495 -37.425 1.00 0.00 C ATOM 717 O ARG A 71 -5.125 -21.975 -37.280 1.00 0.00 O ATOM 718 CB ARG A 71 -6.718 -24.747 -36.352 1.00 0.00 C ATOM 719 CG ARG A 71 -7.300 -25.534 -35.158 1.00 0.00 C ATOM 720 CD ARG A 71 -7.074 -27.054 -35.247 1.00 0.00 C ATOM 721 NE ARG A 71 -5.646 -27.420 -35.262 1.00 0.00 N ATOM 722 CZ ARG A 71 -5.169 -28.656 -35.078 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.975 -29.671 -34.810 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.874 -28.880 -35.173 1.00 0.00 N ATOM 0 H ARG A 71 -8.965 -23.694 -36.330 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.460 -22.847 -35.326 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.182 -25.103 -37.272 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.652 -24.958 -36.430 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.851 -25.163 -34.237 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.370 -25.338 -35.093 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.560 -27.539 -34.400 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.551 -27.435 -36.150 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.970 -26.674 -35.425 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.981 -29.519 -34.740 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.590 -30.606 -34.673 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.238 -28.112 -35.386 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.508 -29.822 -35.033 1.00 0.00 H new ATOM 738 N GLU A 72 -6.929 -22.453 -38.581 1.00 0.00 N ATOM 739 CA GLU A 72 -6.369 -21.883 -39.823 1.00 0.00 C ATOM 740 C GLU A 72 -6.502 -20.354 -39.820 1.00 0.00 C ATOM 741 O GLU A 72 -5.628 -19.648 -40.345 1.00 0.00 O ATOM 742 CB GLU A 72 -7.055 -22.484 -41.082 1.00 0.00 C ATOM 743 CG GLU A 72 -8.548 -22.129 -41.251 1.00 0.00 C ATOM 744 CD GLU A 72 -9.110 -22.510 -42.629 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.946 -21.722 -43.589 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.698 -23.598 -42.774 1.00 0.00 O ATOM 0 H GLU A 72 -7.880 -22.809 -38.681 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.311 -22.144 -39.862 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.515 -22.145 -41.966 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.958 -23.569 -41.046 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.125 -22.636 -40.478 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.680 -21.058 -41.096 1.00 0.00 H new ATOM 753 N ALA A 73 -7.598 -19.856 -39.218 1.00 0.00 N ATOM 754 CA ALA A 73 -7.888 -18.416 -39.138 1.00 0.00 C ATOM 755 C ALA A 73 -6.916 -17.719 -38.181 1.00 0.00 C ATOM 756 O ALA A 73 -6.370 -16.653 -38.486 1.00 0.00 O ATOM 757 CB ALA A 73 -9.338 -18.190 -38.683 1.00 0.00 C ATOM 0 H ALA A 73 -8.306 -20.442 -38.774 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.760 -17.984 -40.131 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.540 -17.120 -38.628 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.020 -18.651 -39.398 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.485 -18.638 -37.700 1.00 0.00 H new ATOM 763 N ILE A 74 -6.702 -18.354 -37.014 1.00 0.00 N ATOM 764 CA ILE A 74 -5.938 -17.774 -35.901 1.00 0.00 C ATOM 765 C ILE A 74 -4.740 -18.688 -35.556 1.00 0.00 C ATOM 766 O ILE A 74 -4.940 -19.782 -35.002 1.00 0.00 O ATOM 767 CB ILE A 74 -6.854 -17.591 -34.631 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.166 -16.836 -35.013 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.095 -16.871 -33.479 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.146 -16.651 -33.876 1.00 0.00 C ATOM 0 H ILE A 74 -7.058 -19.290 -36.818 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.571 -16.794 -36.206 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.126 -18.580 -34.262 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.902 -15.856 -35.409 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.662 -17.382 -35.816 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.757 -16.762 -32.620 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.224 -17.460 -33.193 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.772 -15.886 -33.816 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.025 -16.117 -34.237 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.446 -17.626 -33.492 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.674 -16.076 -33.079 1.00 0.00 H new ATOM 782 N PRO A 75 -3.479 -18.270 -35.900 1.00 0.00 N ATOM 783 CA PRO A 75 -2.263 -19.009 -35.513 1.00 0.00 C ATOM 784 C PRO A 75 -1.977 -18.830 -34.006 1.00 0.00 C ATOM 785 O PRO A 75 -1.408 -17.821 -33.567 1.00 0.00 O ATOM 786 CB PRO A 75 -1.162 -18.394 -36.413 1.00 0.00 C ATOM 787 CG PRO A 75 -1.631 -16.991 -36.672 1.00 0.00 C ATOM 788 CD PRO A 75 -3.150 -17.050 -36.696 1.00 0.00 C ATOM 0 HA PRO A 75 -2.339 -20.087 -35.654 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.192 -18.403 -35.916 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.050 -18.953 -37.342 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.280 -16.313 -35.894 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.241 -16.619 -37.619 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.591 -16.156 -36.256 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.530 -17.124 -37.715 1.00 0.00 H new ATOM 796 N GLY A 76 -2.447 -19.805 -33.221 1.00 0.00 N ATOM 797 CA GLY A 76 -2.359 -19.756 -31.762 1.00 0.00 C ATOM 798 C GLY A 76 -3.694 -19.462 -31.112 1.00 0.00 C ATOM 799 O GLY A 76 -3.744 -18.782 -30.077 1.00 0.00 O ATOM 0 H GLY A 76 -2.897 -20.647 -33.580 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.980 -20.708 -31.392 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.640 -18.991 -31.470 1.00 0.00 H new ATOM 803 N VAL A 77 -4.789 -19.963 -31.728 1.00 0.00 N ATOM 804 CA VAL A 77 -6.114 -19.938 -31.098 1.00 0.00 C ATOM 805 C VAL A 77 -6.093 -20.843 -29.856 1.00 0.00 C ATOM 806 O VAL A 77 -5.551 -21.947 -29.895 1.00 0.00 O ATOM 807 CB VAL A 77 -7.280 -20.358 -32.079 1.00 0.00 C ATOM 808 CG1 VAL A 77 -7.072 -21.765 -32.668 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.657 -20.261 -31.386 1.00 0.00 C ATOM 0 H VAL A 77 -4.774 -20.386 -32.656 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.326 -18.908 -30.812 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.257 -19.651 -32.908 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.900 -22.006 -33.335 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.136 -21.791 -33.227 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.032 -22.496 -31.860 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.438 -20.556 -32.086 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.676 -20.923 -30.521 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.829 -19.235 -31.061 1.00 0.00 H new ATOM 819 N ARG A 78 -6.633 -20.325 -28.754 1.00 0.00 N ATOM 820 CA ARG A 78 -6.616 -20.988 -27.439 1.00 0.00 C ATOM 821 C ARG A 78 -8.001 -21.579 -27.132 1.00 0.00 C ATOM 822 O ARG A 78 -8.153 -22.491 -26.318 1.00 0.00 O ATOM 823 CB ARG A 78 -6.247 -19.961 -26.313 1.00 0.00 C ATOM 824 CG ARG A 78 -5.122 -18.931 -26.633 1.00 0.00 C ATOM 825 CD ARG A 78 -5.647 -17.689 -27.387 1.00 0.00 C ATOM 826 NE ARG A 78 -4.615 -16.650 -27.565 1.00 0.00 N ATOM 827 CZ ARG A 78 -4.854 -15.333 -27.674 1.00 0.00 C ATOM 828 NH1 ARG A 78 -6.092 -14.866 -27.670 1.00 0.00 N ATOM 829 NH2 ARG A 78 -3.845 -14.484 -27.784 1.00 0.00 N ATOM 0 H ARG A 78 -7.103 -19.420 -28.743 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.870 -21.782 -27.467 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.149 -19.407 -26.052 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.950 -20.522 -25.427 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.650 -18.614 -25.703 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.351 -19.416 -27.232 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.021 -17.994 -28.364 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.490 -17.267 -26.840 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.643 -16.956 -27.609 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.879 -15.509 -27.583 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.259 -13.863 -27.754 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.885 -14.830 -27.786 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.027 -13.484 -27.867 1.00 0.00 H new ATOM 843 N LEU A 79 -9.003 -21.034 -27.820 1.00 0.00 N ATOM 844 CA LEU A 79 -10.405 -21.079 -27.408 1.00 0.00 C ATOM 845 C LEU A 79 -11.252 -21.760 -28.482 1.00 0.00 C ATOM 846 O LEU A 79 -11.086 -21.468 -29.670 1.00 0.00 O ATOM 847 CB LEU A 79 -10.874 -19.617 -27.218 1.00 0.00 C ATOM 848 CG LEU A 79 -10.012 -18.769 -26.231 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.266 -17.262 -26.392 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.248 -19.215 -24.786 1.00 0.00 C ATOM 0 H LEU A 79 -8.859 -20.538 -28.699 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.514 -21.647 -26.484 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.877 -19.123 -28.190 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.904 -19.625 -26.862 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.965 -18.944 -26.480 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.645 -16.711 -25.686 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.017 -16.958 -27.408 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.317 -17.047 -26.196 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.638 -18.611 -24.115 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.301 -19.087 -24.533 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.974 -20.265 -24.680 1.00 0.00 H new ATOM 862 N CYS A 80 -12.151 -22.676 -28.059 1.00 0.00 N ATOM 863 CA CYS A 80 -13.135 -23.310 -28.972 1.00 0.00 C ATOM 864 C CYS A 80 -14.059 -22.218 -29.491 1.00 0.00 C ATOM 865 O CYS A 80 -14.194 -21.200 -28.805 1.00 0.00 O ATOM 866 CB CYS A 80 -13.925 -24.414 -28.245 1.00 0.00 C ATOM 867 SG CYS A 80 -15.091 -23.795 -27.006 1.00 0.00 S ATOM 0 H CYS A 80 -12.218 -22.994 -27.092 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.623 -23.789 -29.807 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.473 -25.000 -28.983 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.221 -25.090 -27.760 1.00 0.00 H new ATOM 872 N ILE A 81 -14.728 -22.443 -30.649 1.00 0.00 N ATOM 873 CA ILE A 81 -15.418 -21.361 -31.414 1.00 0.00 C ATOM 874 C ILE A 81 -16.372 -20.533 -30.523 1.00 0.00 C ATOM 875 O ILE A 81 -16.548 -19.353 -30.755 1.00 0.00 O ATOM 876 CB ILE A 81 -16.202 -21.921 -32.672 1.00 0.00 C ATOM 877 CG1 ILE A 81 -16.903 -20.762 -33.476 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.207 -23.026 -32.266 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.762 -21.204 -34.646 1.00 0.00 C ATOM 0 H ILE A 81 -14.807 -23.365 -31.079 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.627 -20.702 -31.772 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.471 -22.379 -33.338 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.525 -20.190 -32.787 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.134 -20.085 -33.848 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.728 -23.388 -33.153 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.671 -23.851 -31.798 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.931 -22.618 -31.561 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.197 -20.329 -35.129 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.147 -21.747 -35.364 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.560 -21.854 -34.287 1.00 0.00 H new ATOM 891 N HIS A 82 -16.894 -21.154 -29.456 1.00 0.00 N ATOM 892 CA HIS A 82 -17.828 -20.515 -28.509 1.00 0.00 C ATOM 893 C HIS A 82 -17.070 -19.554 -27.567 1.00 0.00 C ATOM 894 O HIS A 82 -17.395 -18.365 -27.509 1.00 0.00 O ATOM 895 CB HIS A 82 -18.600 -21.606 -27.725 1.00 0.00 C ATOM 896 CG HIS A 82 -19.260 -22.600 -28.643 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.549 -22.468 -29.117 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.758 -23.699 -29.242 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.794 -23.435 -29.977 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.726 -24.195 -30.061 1.00 0.00 N ATOM 0 H HIS A 82 -16.680 -22.123 -29.221 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.554 -19.917 -29.060 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.913 -22.128 -27.059 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.356 -21.135 -27.097 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.770 -24.110 -29.098 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.716 -23.579 -30.521 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.636 -25.025 -30.647 1.00 0.00 H new ATOM 909 N CYS A 83 -16.004 -20.060 -26.897 1.00 0.00 N ATOM 910 CA CYS A 83 -15.155 -19.223 -26.006 1.00 0.00 C ATOM 911 C CYS A 83 -14.357 -18.174 -26.826 1.00 0.00 C ATOM 912 O CYS A 83 -13.880 -17.183 -26.271 1.00 0.00 O ATOM 913 CB CYS A 83 -14.165 -20.085 -25.175 1.00 0.00 C ATOM 914 SG CYS A 83 -14.914 -21.388 -24.139 1.00 0.00 S ATOM 0 H CYS A 83 -15.712 -21.036 -26.955 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.829 -18.711 -25.319 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.459 -20.554 -25.860 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.590 -19.421 -24.530 1.00 0.00 H new ATOM 919 N GLN A 84 -14.190 -18.418 -28.146 1.00 0.00 N ATOM 920 CA GLN A 84 -13.440 -17.516 -29.040 1.00 0.00 C ATOM 921 C GLN A 84 -14.350 -16.383 -29.550 1.00 0.00 C ATOM 922 O GLN A 84 -13.971 -15.216 -29.473 1.00 0.00 O ATOM 923 CB GLN A 84 -12.810 -18.309 -30.234 1.00 0.00 C ATOM 924 CG GLN A 84 -11.489 -17.726 -30.817 1.00 0.00 C ATOM 925 CD GLN A 84 -11.564 -16.255 -31.246 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.941 -15.947 -32.367 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.190 -15.335 -30.363 1.00 0.00 N ATOM 0 H GLN A 84 -14.570 -19.240 -28.615 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.625 -17.069 -28.470 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.620 -19.331 -29.906 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.545 -18.364 -31.037 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.702 -17.831 -30.070 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.194 -18.325 -31.678 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.879 -15.617 -29.433 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.214 -14.347 -30.615 1.00 0.00 H new ATOM 936 N GLN A 85 -15.549 -16.747 -30.068 1.00 0.00 N ATOM 937 CA GLN A 85 -16.445 -15.793 -30.772 1.00 0.00 C ATOM 938 C GLN A 85 -16.878 -14.646 -29.850 1.00 0.00 C ATOM 939 O GLN A 85 -17.055 -13.516 -30.308 1.00 0.00 O ATOM 940 CB GLN A 85 -17.690 -16.499 -31.385 1.00 0.00 C ATOM 941 CG GLN A 85 -18.660 -17.134 -30.370 1.00 0.00 C ATOM 942 CD GLN A 85 -19.819 -17.875 -31.040 1.00 0.00 C ATOM 943 OE1 GLN A 85 -20.886 -17.310 -31.275 1.00 0.00 O ATOM 944 NE2 GLN A 85 -19.597 -19.137 -31.384 1.00 0.00 N ATOM 0 H GLN A 85 -15.919 -17.696 -30.012 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.866 -15.373 -31.595 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.241 -15.772 -31.982 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.346 -17.276 -32.067 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.110 -17.828 -29.734 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.060 -16.355 -29.720 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -18.699 -19.573 -31.173 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.324 -19.671 -31.860 1.00 0.00 H new ATOM 953 N GLU A 86 -17.013 -14.959 -28.545 1.00 0.00 N ATOM 954 CA GLU A 86 -17.311 -13.958 -27.511 1.00 0.00 C ATOM 955 C GLU A 86 -16.111 -13.010 -27.322 1.00 0.00 C ATOM 956 O GLU A 86 -16.312 -11.805 -27.280 1.00 0.00 O ATOM 957 CB GLU A 86 -17.736 -14.646 -26.191 1.00 0.00 C ATOM 958 CG GLU A 86 -16.713 -15.649 -25.633 1.00 0.00 C ATOM 959 CD GLU A 86 -17.257 -16.474 -24.463 1.00 0.00 C ATOM 960 OE1 GLU A 86 -18.155 -17.308 -24.695 1.00 0.00 O ATOM 961 OE2 GLU A 86 -16.807 -16.293 -23.312 1.00 0.00 O ATOM 0 H GLU A 86 -16.918 -15.908 -28.184 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.155 -13.349 -27.835 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.919 -13.878 -25.439 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.681 -15.164 -26.355 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.401 -16.323 -26.431 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.824 -15.109 -25.307 1.00 0.00 H new ATOM 968 N LYS A 87 -14.866 -13.555 -27.275 1.00 0.00 N ATOM 969 CA LYS A 87 -13.632 -12.737 -27.159 1.00 0.00 C ATOM 970 C LYS A 87 -13.452 -11.794 -28.356 1.00 0.00 C ATOM 971 O LYS A 87 -12.971 -10.668 -28.197 1.00 0.00 O ATOM 972 CB LYS A 87 -12.378 -13.638 -27.021 1.00 0.00 C ATOM 973 CG LYS A 87 -12.270 -14.375 -25.673 1.00 0.00 C ATOM 974 CD LYS A 87 -12.236 -13.415 -24.460 1.00 0.00 C ATOM 975 CE LYS A 87 -11.846 -14.123 -23.152 1.00 0.00 C ATOM 976 NZ LYS A 87 -11.902 -13.202 -21.999 1.00 0.00 N ATOM 0 H LYS A 87 -14.692 -14.559 -27.316 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.743 -12.132 -26.259 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.384 -14.374 -27.825 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.488 -13.024 -27.158 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.116 -15.054 -25.568 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.368 -14.986 -25.671 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.527 -12.611 -24.658 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.216 -12.953 -24.340 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.516 -14.965 -22.979 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.839 -14.531 -23.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.958 -13.126 -21.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.214 -12.263 -22.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.574 -13.568 -21.295 1.00 0.00 H new ATOM 990 N ASP A 88 -13.846 -12.279 -29.550 1.00 0.00 N ATOM 991 CA ASP A 88 -13.798 -11.513 -30.805 1.00 0.00 C ATOM 992 C ASP A 88 -14.695 -10.248 -30.739 1.00 0.00 C ATOM 993 O ASP A 88 -14.410 -9.233 -31.388 1.00 0.00 O ATOM 994 CB ASP A 88 -14.189 -12.420 -31.997 1.00 0.00 C ATOM 995 CG ASP A 88 -13.993 -11.739 -33.365 1.00 0.00 C ATOM 996 OD1 ASP A 88 -12.826 -11.534 -33.772 1.00 0.00 O ATOM 997 OD2 ASP A 88 -14.994 -11.393 -34.034 1.00 0.00 O ATOM 0 H ASP A 88 -14.210 -13.224 -29.668 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.775 -11.167 -30.954 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.592 -13.332 -31.963 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.232 -12.718 -31.892 1.00 0.00 H new ATOM 1002 N LEU A 89 -15.755 -10.313 -29.917 1.00 0.00 N ATOM 1003 CA LEU A 89 -16.645 -9.160 -29.657 1.00 0.00 C ATOM 1004 C LEU A 89 -15.964 -8.166 -28.692 1.00 0.00 C ATOM 1005 O LEU A 89 -16.160 -6.954 -28.794 1.00 0.00 O ATOM 1006 CB LEU A 89 -17.993 -9.628 -29.038 1.00 0.00 C ATOM 1007 CG LEU A 89 -18.666 -10.871 -29.691 1.00 0.00 C ATOM 1008 CD1 LEU A 89 -20.010 -11.208 -29.013 1.00 0.00 C ATOM 1009 CD2 LEU A 89 -18.834 -10.697 -31.221 1.00 0.00 C ATOM 0 H LEU A 89 -16.022 -11.160 -29.414 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.843 -8.669 -30.610 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -17.826 -9.846 -27.983 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.696 -8.796 -29.084 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.997 -11.717 -29.534 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -20.452 -12.081 -29.494 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.842 -11.422 -27.958 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -20.688 -10.360 -29.107 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -19.307 -11.586 -31.638 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -19.457 -9.826 -31.422 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.856 -10.557 -31.681 1.00 0.00 H new ATOM 1021 N GLN A 90 -15.165 -8.718 -27.754 1.00 0.00 N ATOM 1022 CA GLN A 90 -14.541 -7.951 -26.644 1.00 0.00 C ATOM 1023 C GLN A 90 -13.223 -7.282 -27.083 1.00 0.00 C ATOM 1024 O GLN A 90 -12.605 -6.569 -26.286 1.00 0.00 O ATOM 1025 CB GLN A 90 -14.269 -8.881 -25.413 1.00 0.00 C ATOM 1026 CG GLN A 90 -15.381 -9.904 -25.101 1.00 0.00 C ATOM 1027 CD GLN A 90 -16.789 -9.324 -24.926 1.00 0.00 C ATOM 1028 OE1 GLN A 90 -16.974 -8.205 -24.462 1.00 0.00 O ATOM 1029 NE2 GLN A 90 -17.796 -10.091 -25.316 1.00 0.00 N ATOM 0 H GLN A 90 -14.931 -9.711 -27.741 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.245 -7.169 -26.360 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.339 -9.422 -25.586 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -14.116 -8.256 -24.533 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -15.408 -10.639 -25.905 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.112 -10.438 -24.190 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.612 -11.018 -25.699 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -18.755 -9.754 -25.234 1.00 0.00 H new ATOM 1038 N LYS A 91 -12.789 -7.551 -28.337 1.00 0.00 N ATOM 1039 CA LYS A 91 -11.528 -7.014 -28.895 1.00 0.00 C ATOM 1040 C LYS A 91 -11.538 -5.468 -28.912 1.00 0.00 C ATOM 1041 O LYS A 91 -12.392 -4.868 -29.582 1.00 0.00 O ATOM 1042 CB LYS A 91 -11.273 -7.562 -30.333 1.00 0.00 C ATOM 1043 CG LYS A 91 -11.213 -9.106 -30.441 1.00 0.00 C ATOM 1044 CD LYS A 91 -10.026 -9.746 -29.678 1.00 0.00 C ATOM 1045 CE LYS A 91 -8.679 -9.454 -30.343 1.00 0.00 C ATOM 1046 NZ LYS A 91 -7.548 -10.039 -29.592 1.00 0.00 N ATOM 0 H LYS A 91 -13.303 -8.145 -28.988 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.717 -7.347 -28.247 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.062 -7.197 -30.991 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.334 -7.150 -30.702 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -12.145 -9.523 -30.058 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.148 -9.384 -31.493 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.011 -9.372 -28.654 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.174 -10.824 -29.621 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.683 -9.851 -31.358 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.541 -8.376 -30.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.819 -9.313 -29.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.885 -10.388 -28.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.143 -10.829 -30.134 1.00 0.00 H new ATOM 1060 N PRO A 92 -10.589 -4.797 -28.181 1.00 0.00 N ATOM 1061 CA PRO A 92 -10.536 -3.320 -28.117 1.00 0.00 C ATOM 1062 C PRO A 92 -9.957 -2.695 -29.405 1.00 0.00 C ATOM 1063 O PRO A 92 -10.063 -1.480 -29.609 1.00 0.00 O ATOM 1064 CB PRO A 92 -9.623 -3.074 -26.893 1.00 0.00 C ATOM 1065 CG PRO A 92 -8.682 -4.238 -26.891 1.00 0.00 C ATOM 1066 CD PRO A 92 -9.509 -5.417 -27.352 1.00 0.00 C ATOM 0 HA PRO A 92 -11.520 -2.860 -28.026 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -9.086 -2.129 -26.981 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.200 -3.028 -25.970 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.838 -4.064 -27.559 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.271 -4.410 -25.896 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.913 -6.120 -27.934 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.921 -5.970 -26.508 1.00 0.00 H new ATOM 1074 N ALA A 93 -9.317 -3.555 -30.238 1.00 0.00 N ATOM 1075 CA ALA A 93 -8.723 -3.190 -31.545 1.00 0.00 C ATOM 1076 C ALA A 93 -7.560 -2.181 -31.417 1.00 0.00 C ATOM 1077 O ALA A 93 -7.141 -1.577 -32.412 1.00 0.00 O ATOM 1078 CB ALA A 93 -9.810 -2.688 -32.522 1.00 0.00 C ATOM 0 H ALA A 93 -9.198 -4.543 -30.012 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.286 -4.099 -31.959 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.350 -2.426 -33.475 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.549 -3.474 -32.680 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.299 -1.809 -32.102 1.00 0.00 H new ATOM 1084 N TYR A 94 -7.020 -2.026 -30.195 1.00 0.00 N ATOM 1085 CA TYR A 94 -5.865 -1.150 -29.934 1.00 0.00 C ATOM 1086 C TYR A 94 -4.802 -1.912 -29.124 1.00 0.00 C ATOM 1087 O TYR A 94 -5.122 -2.887 -28.428 1.00 0.00 O ATOM 1088 CB TYR A 94 -6.304 0.179 -29.224 1.00 0.00 C ATOM 1089 CG TYR A 94 -6.864 0.080 -27.774 1.00 0.00 C ATOM 1090 CD1 TYR A 94 -6.026 -0.207 -26.690 1.00 0.00 C ATOM 1091 CD2 TYR A 94 -8.212 0.320 -27.484 1.00 0.00 C ATOM 1092 CE1 TYR A 94 -6.496 -0.265 -25.394 1.00 0.00 C ATOM 1093 CE2 TYR A 94 -8.688 0.275 -26.176 1.00 0.00 C ATOM 1094 CZ TYR A 94 -7.824 -0.025 -25.137 1.00 0.00 C ATOM 1095 OH TYR A 94 -8.287 -0.067 -23.835 1.00 0.00 O ATOM 0 H TYR A 94 -7.371 -2.503 -29.364 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.422 -0.861 -30.887 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.444 0.848 -29.205 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.064 0.654 -29.844 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.977 -0.389 -26.874 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.896 0.544 -28.289 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.821 -0.499 -24.584 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.730 0.474 -25.973 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.248 0.126 -23.823 1.00 0.00 H new ATOM 1105 N THR A 95 -3.543 -1.460 -29.228 1.00 0.00 N ATOM 1106 CA THR A 95 -2.415 -1.994 -28.452 1.00 0.00 C ATOM 1107 C THR A 95 -1.957 -0.925 -27.444 1.00 0.00 C ATOM 1108 O THR A 95 -0.902 -0.286 -27.594 1.00 0.00 O ATOM 1109 CB THR A 95 -1.250 -2.449 -29.403 1.00 0.00 C ATOM 1110 OG1 THR A 95 -0.877 -1.371 -30.279 1.00 0.00 O ATOM 1111 CG2 THR A 95 -1.648 -3.666 -30.264 1.00 0.00 C ATOM 0 H THR A 95 -3.277 -0.705 -29.860 1.00 0.00 H new ATOM 0 HA THR A 95 -2.728 -2.880 -27.900 1.00 0.00 H new ATOM 0 HB THR A 95 -0.412 -2.733 -28.767 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.684 -0.570 -29.748 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.813 -3.946 -30.906 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.903 -4.503 -29.615 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.509 -3.409 -30.881 1.00 0.00 H new ATOM 1119 N GLY A 96 -2.806 -0.715 -26.427 1.00 0.00 N ATOM 1120 CA GLY A 96 -2.627 0.352 -25.450 1.00 0.00 C ATOM 1121 C GLY A 96 -2.017 -0.143 -24.151 1.00 0.00 C ATOM 1122 O GLY A 96 -2.483 -1.131 -23.576 1.00 0.00 O ATOM 0 H GLY A 96 -3.636 -1.286 -26.265 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.988 1.126 -25.875 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.592 0.814 -25.241 1.00 0.00 H new ATOM 1126 N TYR A 97 -0.958 0.548 -23.711 1.00 0.00 N ATOM 1127 CA TYR A 97 -0.280 0.312 -22.428 1.00 0.00 C ATOM 1128 C TYR A 97 0.262 1.650 -21.910 1.00 0.00 C ATOM 1129 O TYR A 97 0.454 2.584 -22.703 1.00 0.00 O ATOM 1130 CB TYR A 97 0.859 -0.744 -22.545 1.00 0.00 C ATOM 1131 CG TYR A 97 1.855 -0.482 -23.694 1.00 0.00 C ATOM 1132 CD1 TYR A 97 1.450 -0.678 -25.006 1.00 0.00 C ATOM 1133 CD2 TYR A 97 3.165 -0.055 -23.472 1.00 0.00 C ATOM 1134 CE1 TYR A 97 2.298 -0.462 -26.060 1.00 0.00 C ATOM 1135 CE2 TYR A 97 4.027 0.160 -24.530 1.00 0.00 C ATOM 1136 CZ TYR A 97 3.588 -0.048 -25.819 1.00 0.00 C ATOM 1137 OH TYR A 97 4.444 0.158 -26.877 1.00 0.00 O ATOM 0 H TYR A 97 -0.538 1.305 -24.250 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.002 -0.099 -21.722 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.408 -0.774 -21.604 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.412 -1.728 -22.685 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.441 -1.009 -25.202 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.509 0.109 -22.461 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.956 -0.616 -27.073 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.039 0.489 -24.348 1.00 0.00 H new ATOM 0 HH TYR A 97 5.317 0.449 -26.540 1.00 0.00 H new ATOM 1147 N ASN A 98 0.499 1.745 -20.588 1.00 0.00 N ATOM 1148 CA ASN A 98 1.047 2.965 -19.974 1.00 0.00 C ATOM 1149 C ASN A 98 2.541 3.096 -20.316 1.00 0.00 C ATOM 1150 O ASN A 98 3.410 2.604 -19.582 1.00 0.00 O ATOM 1151 CB ASN A 98 0.833 2.983 -18.429 1.00 0.00 C ATOM 1152 CG ASN A 98 1.296 4.302 -17.773 1.00 0.00 C ATOM 1153 OD1 ASN A 98 1.205 5.379 -18.370 1.00 0.00 O ATOM 1154 ND2 ASN A 98 1.800 4.223 -16.551 1.00 0.00 N ATOM 0 H ASN A 98 0.319 0.990 -19.926 1.00 0.00 H new ATOM 0 HA ASN A 98 0.508 3.820 -20.383 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.224 2.827 -18.212 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.377 2.151 -17.982 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.126 5.066 -16.078 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.863 3.319 -16.083 1.00 0.00 H new ATOM 1161 N ARG A 99 2.820 3.703 -21.483 1.00 0.00 N ATOM 1162 CA ARG A 99 4.178 4.074 -21.888 1.00 0.00 C ATOM 1163 C ARG A 99 4.414 5.538 -21.515 1.00 0.00 C ATOM 1164 O ARG A 99 4.145 6.449 -22.301 1.00 0.00 O ATOM 1165 CB ARG A 99 4.418 3.814 -23.404 1.00 0.00 C ATOM 1166 CG ARG A 99 5.860 4.129 -23.871 1.00 0.00 C ATOM 1167 CD ARG A 99 6.926 3.303 -23.120 1.00 0.00 C ATOM 1168 NE ARG A 99 8.295 3.734 -23.431 1.00 0.00 N ATOM 1169 CZ ARG A 99 9.414 3.112 -23.027 1.00 0.00 C ATOM 1170 NH1 ARG A 99 9.361 1.969 -22.345 1.00 0.00 N ATOM 1171 NH2 ARG A 99 10.587 3.639 -23.315 1.00 0.00 N ATOM 0 H ARG A 99 2.106 3.948 -22.169 1.00 0.00 H new ATOM 0 HA ARG A 99 4.898 3.449 -21.360 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.195 2.770 -23.624 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.719 4.418 -23.982 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.942 3.933 -24.940 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.060 5.190 -23.725 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.757 3.388 -22.047 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.813 2.250 -23.378 1.00 0.00 H new ATOM 0 HE ARG A 99 8.404 4.574 -24.000 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.458 1.550 -22.121 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.223 1.512 -22.047 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.639 4.512 -23.840 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.443 3.174 -23.013 1.00 0.00 H new ATOM 1185 N ARG A 100 4.862 5.744 -20.275 1.00 0.00 N ATOM 1186 CA ARG A 100 5.069 7.081 -19.707 1.00 0.00 C ATOM 1187 C ARG A 100 6.349 7.093 -18.867 1.00 0.00 C ATOM 1188 O ARG A 100 6.715 6.070 -18.269 1.00 0.00 O ATOM 1189 CB ARG A 100 3.851 7.459 -18.813 1.00 0.00 C ATOM 1190 CG ARG A 100 3.896 8.884 -18.204 1.00 0.00 C ATOM 1191 CD ARG A 100 2.843 9.111 -17.105 1.00 0.00 C ATOM 1192 NE ARG A 100 1.479 8.887 -17.596 1.00 0.00 N ATOM 1193 CZ ARG A 100 0.446 8.478 -16.851 1.00 0.00 C ATOM 1194 NH1 ARG A 100 0.575 8.277 -15.547 1.00 0.00 N ATOM 1195 NH2 ARG A 100 -0.723 8.287 -17.416 1.00 0.00 N ATOM 0 H ARG A 100 5.093 4.986 -19.633 1.00 0.00 H new ATOM 0 HA ARG A 100 5.165 7.807 -20.515 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.942 7.363 -19.406 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.779 6.736 -18.000 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.888 9.063 -17.789 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.746 9.616 -18.998 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.042 8.441 -16.269 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.929 10.129 -16.725 1.00 0.00 H new ATOM 0 HE ARG A 100 1.304 9.057 -18.586 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.475 8.434 -15.093 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.226 7.965 -14.997 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.839 8.450 -18.416 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.516 7.975 -16.855 1.00 0.00 H new ATOM 1209 N GLY A 101 7.030 8.252 -18.838 1.00 0.00 N ATOM 1210 CA GLY A 101 8.104 8.492 -17.881 1.00 0.00 C ATOM 1211 C GLY A 101 7.583 8.460 -16.446 1.00 0.00 C ATOM 1212 O GLY A 101 6.556 9.089 -16.161 1.00 0.00 O ATOM 0 H GLY A 101 6.849 9.032 -19.470 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.881 7.737 -18.005 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.564 9.459 -18.082 1.00 0.00 H new ATOM 1216 N SER A 102 8.281 7.722 -15.555 1.00 0.00 N ATOM 1217 CA SER A 102 7.867 7.520 -14.153 1.00 0.00 C ATOM 1218 C SER A 102 8.005 8.830 -13.349 1.00 0.00 C ATOM 1219 O SER A 102 8.974 9.023 -12.593 1.00 0.00 O ATOM 1220 CB SER A 102 8.697 6.375 -13.538 1.00 0.00 C ATOM 1221 OG SER A 102 8.518 5.171 -14.271 1.00 0.00 O ATOM 0 H SER A 102 9.152 7.248 -15.792 1.00 0.00 H new ATOM 0 HA SER A 102 6.815 7.238 -14.118 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.752 6.648 -13.531 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.400 6.222 -12.500 1.00 0.00 H new ATOM 0 HG SER A 102 9.054 4.458 -13.865 1.00 0.00 H new ATOM 1227 N LYS A 103 7.036 9.741 -13.594 1.00 0.00 N ATOM 1228 CA LYS A 103 7.028 11.133 -13.105 1.00 0.00 C ATOM 1229 C LYS A 103 8.336 11.866 -13.509 1.00 0.00 C ATOM 1230 O LYS A 103 8.814 12.787 -12.829 1.00 0.00 O ATOM 1231 CB LYS A 103 6.734 11.162 -11.573 1.00 0.00 C ATOM 1232 CG LYS A 103 6.351 12.552 -11.013 1.00 0.00 C ATOM 1233 CD LYS A 103 5.823 12.492 -9.563 1.00 0.00 C ATOM 1234 CE LYS A 103 6.830 11.875 -8.578 1.00 0.00 C ATOM 1235 NZ LYS A 103 6.317 11.867 -7.187 1.00 0.00 N ATOM 0 H LYS A 103 6.214 9.518 -14.155 1.00 0.00 H new ATOM 0 HA LYS A 103 6.221 11.688 -13.583 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.925 10.464 -11.359 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.615 10.802 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.223 13.206 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.590 12.999 -11.653 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.572 13.500 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.901 11.911 -9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.058 10.854 -8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.764 12.436 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.028 11.443 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.123 12.842 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.440 11.310 -7.144 1.00 0.00 H new ATOM 1249 N ASP A 104 8.888 11.458 -14.668 1.00 0.00 N ATOM 1250 CA ASP A 104 10.136 12.011 -15.207 1.00 0.00 C ATOM 1251 C ASP A 104 9.866 13.358 -15.902 1.00 0.00 C ATOM 1252 O ASP A 104 9.720 13.439 -17.124 1.00 0.00 O ATOM 1253 CB ASP A 104 10.842 11.012 -16.173 1.00 0.00 C ATOM 1254 CG ASP A 104 11.362 9.742 -15.467 1.00 0.00 C ATOM 1255 OD1 ASP A 104 12.113 9.876 -14.476 1.00 0.00 O ATOM 1256 OD2 ASP A 104 11.020 8.611 -15.884 1.00 0.00 O ATOM 0 H ASP A 104 8.476 10.733 -15.255 1.00 0.00 H new ATOM 0 HA ASP A 104 10.816 12.180 -14.372 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.144 10.722 -16.958 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.677 11.516 -16.659 1.00 0.00 H new ATOM 1261 N SER A 105 9.748 14.396 -15.070 1.00 0.00 N ATOM 1262 CA SER A 105 9.633 15.802 -15.483 1.00 0.00 C ATOM 1263 C SER A 105 10.868 16.553 -14.919 1.00 0.00 C ATOM 1264 O SER A 105 10.844 17.767 -14.683 1.00 0.00 O ATOM 1265 CB SER A 105 8.287 16.370 -14.947 1.00 0.00 C ATOM 1266 OG SER A 105 8.055 17.698 -15.386 1.00 0.00 O ATOM 0 H SER A 105 9.729 14.280 -14.057 1.00 0.00 H new ATOM 0 HA SER A 105 9.623 15.920 -16.567 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.468 15.731 -15.277 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.292 16.345 -13.857 1.00 0.00 H new ATOM 0 HG SER A 105 8.856 18.240 -15.228 1.00 0.00 H new ATOM 1272 N GLN A 106 11.960 15.783 -14.751 1.00 0.00 N ATOM 1273 CA GLN A 106 13.186 16.221 -14.089 1.00 0.00 C ATOM 1274 C GLN A 106 14.106 16.942 -15.088 1.00 0.00 C ATOM 1275 O GLN A 106 14.344 16.450 -16.196 1.00 0.00 O ATOM 1276 CB GLN A 106 13.903 14.992 -13.477 1.00 0.00 C ATOM 1277 CG GLN A 106 13.025 14.191 -12.497 1.00 0.00 C ATOM 1278 CD GLN A 106 13.713 12.951 -11.930 1.00 0.00 C ATOM 1279 OE1 GLN A 106 14.363 13.016 -10.891 1.00 0.00 O ATOM 1280 NE2 GLN A 106 13.599 11.824 -12.614 1.00 0.00 N ATOM 0 H GLN A 106 12.007 14.819 -15.082 1.00 0.00 H new ATOM 0 HA GLN A 106 12.937 16.923 -13.293 1.00 0.00 H new ATOM 0 HB2 GLN A 106 14.228 14.333 -14.282 1.00 0.00 H new ATOM 0 HB3 GLN A 106 14.801 15.327 -12.957 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.730 14.841 -11.673 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.111 13.887 -13.007 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.051 11.803 -13.474 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.059 10.977 -12.281 1.00 0.00 H new ATOM 1289 N LEU A 107 14.614 18.103 -14.676 1.00 0.00 N ATOM 1290 CA LEU A 107 15.510 18.949 -15.494 1.00 0.00 C ATOM 1291 C LEU A 107 16.991 18.727 -15.126 1.00 0.00 C ATOM 1292 O LEU A 107 17.875 19.341 -15.737 1.00 0.00 O ATOM 1293 CB LEU A 107 15.086 20.447 -15.325 1.00 0.00 C ATOM 1294 CG LEU A 107 14.764 20.938 -13.860 1.00 0.00 C ATOM 1295 CD1 LEU A 107 16.020 21.056 -12.971 1.00 0.00 C ATOM 1296 CD2 LEU A 107 13.970 22.254 -13.874 1.00 0.00 C ATOM 0 H LEU A 107 14.418 18.495 -13.755 1.00 0.00 H new ATOM 0 HA LEU A 107 15.412 18.668 -16.543 1.00 0.00 H new ATOM 0 HB2 LEU A 107 15.884 21.072 -15.724 1.00 0.00 H new ATOM 0 HB3 LEU A 107 14.205 20.622 -15.943 1.00 0.00 H new ATOM 0 HG LEU A 107 14.141 20.165 -13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.731 21.398 -11.977 1.00 0.00 H new ATOM 0 HD12 LEU A 107 16.504 20.082 -12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.713 21.771 -13.414 1.00 0.00 H new ATOM 0 HD21 LEU A 107 13.764 22.566 -12.850 1.00 0.00 H new ATOM 0 HD22 LEU A 107 14.553 23.025 -14.378 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.029 22.106 -14.404 1.00 0.00 H new ATOM 1308 N ARG A 108 17.228 17.857 -14.113 1.00 0.00 N ATOM 1309 CA ARG A 108 18.563 17.583 -13.538 1.00 0.00 C ATOM 1310 C ARG A 108 19.605 17.197 -14.637 1.00 0.00 C ATOM 1311 O ARG A 108 19.397 16.193 -15.354 1.00 0.00 O ATOM 1312 CB ARG A 108 18.461 16.477 -12.431 1.00 0.00 C ATOM 1313 CG ARG A 108 17.681 15.205 -12.852 1.00 0.00 C ATOM 1314 CD ARG A 108 17.790 14.047 -11.839 1.00 0.00 C ATOM 1315 NE ARG A 108 17.088 12.836 -12.309 1.00 0.00 N ATOM 1316 CZ ARG A 108 17.448 12.081 -13.369 1.00 0.00 C ATOM 1317 NH1 ARG A 108 18.560 12.328 -14.059 1.00 0.00 N ATOM 1318 NH2 ARG A 108 16.703 11.053 -13.722 1.00 0.00 N ATOM 1319 OXT ARG A 108 20.617 17.917 -14.784 1.00 0.00 O ATOM 0 H ARG A 108 16.484 17.320 -13.668 1.00 0.00 H new ATOM 0 HA ARG A 108 18.923 18.502 -13.076 1.00 0.00 H new ATOM 0 HB2 ARG A 108 19.469 16.186 -12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 108 17.981 16.906 -11.552 1.00 0.00 H new ATOM 0 HG2 ARG A 108 16.630 15.462 -12.985 1.00 0.00 H new ATOM 0 HG3 ARG A 108 18.052 14.866 -13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 108 18.841 13.814 -11.666 1.00 0.00 H new ATOM 0 HD3 ARG A 108 17.372 14.361 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 108 16.260 12.545 -11.789 1.00 0.00 H new ATOM 0 HH11 ARG A 108 19.165 13.104 -13.791 1.00 0.00 H new ATOM 0 HH12 ARG A 108 18.807 11.741 -14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.858 10.830 -13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.971 10.480 -14.522 1.00 0.00 H new TER 1333 ARG A 108 HETATM 1334 ZN ZN A 109 -14.324 -23.551 -24.804 1.00 0.00 ZN