USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 983 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 63 CYS SG : rot -23:sc= -2.25! USER MOD Set 1.2: A 105 LYS NZ :NH3+ -132:sc= 1.09 (180deg=-1) USER MOD Set 2.1: A 80 THR OG1 : rot 85:sc= 0.0011 USER MOD Set 2.2: A 90 TYR OH : rot -133:sc= -0.755 USER MOD Set 3.1: A 70 GLN : amide:sc= -0.664 X(o=-0.77,f=-0.7) USER MOD Set 3.2: A 94 GLN : amide:sc= -0.104 K(o=-0.77,f=-6.6!) USER MOD Single : A 1 GLN : amide:sc= 0.715 K(o=0.71,f=-0.0051) USER MOD Single : A 1 GLN N :NH3+ -136:sc=-0.00823 (180deg=-0.161) USER MOD Single : A 3 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=-0.026) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0446) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc=-0.00493 (180deg=-0.0533) USER MOD Single : A 12 ASN : amide:sc= -0.0209 K(o=-0.021,f=-1.1!) USER MOD Single : A 16 HIS : no HD1:sc= -0.0605 X(o=-0.06,f=-0.0053) USER MOD Single : A 21 GLN : amide:sc= -0.0633 X(o=-0.063,f=-0.063) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 32 GLN : amide:sc= -3.37! C(o=-3.4!,f=-9.5!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.82) USER MOD Single : A 44 ASN :FLIP amide:sc= -1.07 F(o=-2.1,f=-1.1) USER MOD Single : A 46 ASN : amide:sc= -0.0876 K(o=-0.088,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0637 (180deg=-0.295) USER MOD Single : A 48 SER OG : rot 180:sc= -2.1! USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.628) USER MOD Single : A 52 GLN : amide:sc= 0.361 K(o=0.36,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -106:sc= -0.668 (180deg=-1.99) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 83 ASN : amide:sc= -1.92 K(o=-1.9,f=-11!) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.463 F(o=-1.4!,f=-0.46) USER MOD Single : A 95 THR OG1 : rot 48:sc= 1.23 USER MOD Single : A 97 SER OG : rot 72:sc= 0.677 USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= -0.0974 (180deg=-0.518) USER MOD Single : A 102 LYS NZ :NH3+ 137:sc= 1.22 (180deg=-0.166) USER MOD Single : A 107 THR OG1 : rot 71:sc= 0.843 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 110 LYS NZ :NH3+ 149:sc= 1.58 (180deg=-0.721) USER MOD Single : A 112 LYS NZ :NH3+ -154:sc= -1.27 (180deg=-2.55!) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc=-0.00354 K(o=-0.0035,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 30.272 14.395 16.177 1.00 0.00 N ATOM 2 CA GLN A 1 30.312 15.140 14.908 1.00 0.00 C ATOM 3 C GLN A 1 31.528 16.038 14.872 1.00 0.00 C ATOM 4 O GLN A 1 31.986 16.512 15.909 1.00 0.00 O ATOM 5 CB GLN A 1 29.042 15.977 14.736 1.00 0.00 C ATOM 6 CG GLN A 1 27.760 15.172 14.768 1.00 0.00 C ATOM 7 CD GLN A 1 26.537 16.026 14.511 1.00 0.00 C ATOM 8 OE1 GLN A 1 25.941 16.568 15.435 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.157 16.151 13.256 1.00 0.00 N ATOM 0 H1 GLN A 1 30.028 13.402 15.989 1.00 0.00 H new ATOM 0 H2 GLN A 1 31.204 14.442 16.637 1.00 0.00 H new ATOM 0 H3 GLN A 1 29.556 14.814 16.803 1.00 0.00 H new ATOM 0 HA GLN A 1 30.371 14.424 14.089 1.00 0.00 H new ATOM 0 HB2 GLN A 1 29.006 16.729 15.525 1.00 0.00 H new ATOM 0 HB3 GLN A 1 29.098 16.512 13.788 1.00 0.00 H new ATOM 0 HG2 GLN A 1 27.812 14.381 14.020 1.00 0.00 H new ATOM 0 HG3 GLN A 1 27.663 14.686 15.739 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.680 15.684 12.516 1.00 0.00 H new ATOM 0 HE22 GLN A 1 25.339 16.715 13.024 1.00 0.00 H new ATOM 18 N GLU A 2 32.055 16.267 13.684 1.00 0.00 N ATOM 19 CA GLU A 2 33.202 17.140 13.528 1.00 0.00 C ATOM 20 C GLU A 2 32.741 18.574 13.360 1.00 0.00 C ATOM 21 O GLU A 2 31.743 18.835 12.683 1.00 0.00 O ATOM 22 CB GLU A 2 34.039 16.726 12.320 1.00 0.00 C ATOM 23 CG GLU A 2 34.489 15.280 12.346 1.00 0.00 C ATOM 24 CD GLU A 2 35.489 14.973 11.259 1.00 0.00 C ATOM 25 OE1 GLU A 2 35.096 14.911 10.074 1.00 0.00 O ATOM 26 OE2 GLU A 2 36.678 14.796 11.585 1.00 0.00 O ATOM 0 H GLU A 2 31.708 15.861 12.815 1.00 0.00 H new ATOM 0 HA GLU A 2 33.818 17.058 14.423 1.00 0.00 H new ATOM 0 HB2 GLU A 2 33.459 16.899 11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 2 34.918 17.368 12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 2 34.931 15.057 13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 2 33.622 14.630 12.233 1.00 0.00 H new ATOM 33 N HIS A 3 33.452 19.501 13.984 1.00 0.00 N ATOM 34 CA HIS A 3 33.123 20.918 13.890 1.00 0.00 C ATOM 35 C HIS A 3 33.549 21.487 12.529 1.00 0.00 C ATOM 36 O HIS A 3 34.535 22.213 12.415 1.00 0.00 O ATOM 37 CB HIS A 3 33.768 21.698 15.046 1.00 0.00 C ATOM 38 CG HIS A 3 33.469 23.170 15.043 1.00 0.00 C ATOM 39 ND1 HIS A 3 34.447 24.134 14.967 1.00 0.00 N ATOM 40 CD2 HIS A 3 32.296 23.838 15.120 1.00 0.00 C ATOM 41 CE1 HIS A 3 33.891 25.325 14.998 1.00 0.00 C ATOM 42 NE2 HIS A 3 32.586 25.174 15.090 1.00 0.00 N ATOM 0 H HIS A 3 34.265 19.297 14.565 1.00 0.00 H new ATOM 0 HA HIS A 3 32.042 21.028 13.971 1.00 0.00 H new ATOM 0 HB2 HIS A 3 33.428 21.272 15.990 1.00 0.00 H new ATOM 0 HB3 HIS A 3 34.848 21.559 15.004 1.00 0.00 H new ATOM 0 HD2 HIS A 3 31.312 23.398 15.192 1.00 0.00 H new ATOM 0 HE1 HIS A 3 34.416 26.268 14.955 1.00 0.00 H new ATOM 0 HE2 HIS A 3 31.903 25.930 15.132 1.00 0.00 H new ATOM 51 N LYS A 4 32.814 21.100 11.509 1.00 0.00 N ATOM 52 CA LYS A 4 33.103 21.527 10.155 1.00 0.00 C ATOM 53 C LYS A 4 31.933 22.260 9.528 1.00 0.00 C ATOM 54 O LYS A 4 30.777 21.867 9.697 1.00 0.00 O ATOM 55 CB LYS A 4 33.491 20.335 9.269 1.00 0.00 C ATOM 56 CG LYS A 4 34.689 19.544 9.773 1.00 0.00 C ATOM 57 CD LYS A 4 35.912 20.427 9.921 1.00 0.00 C ATOM 58 CE LYS A 4 37.094 19.653 10.469 1.00 0.00 C ATOM 59 NZ LYS A 4 38.249 20.539 10.727 1.00 0.00 N ATOM 0 H LYS A 4 32.005 20.485 11.592 1.00 0.00 H new ATOM 0 HA LYS A 4 33.945 22.216 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 4 32.636 19.664 9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 4 33.707 20.699 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 4 34.448 19.089 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 4 34.907 18.731 9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 4 36.173 20.854 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 4 35.682 21.260 10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 4 36.805 19.152 11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 4 37.381 18.876 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 39.040 19.978 11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 38.539 20.998 9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 37.981 21.265 11.421 1.00 0.00 H new ATOM 73 N PRO A 5 32.229 23.336 8.788 1.00 0.00 N ATOM 74 CA PRO A 5 31.223 24.109 8.039 1.00 0.00 C ATOM 75 C PRO A 5 30.870 23.404 6.724 1.00 0.00 C ATOM 76 O PRO A 5 30.657 24.056 5.700 1.00 0.00 O ATOM 77 CB PRO A 5 31.963 25.414 7.752 1.00 0.00 C ATOM 78 CG PRO A 5 33.388 24.997 7.620 1.00 0.00 C ATOM 79 CD PRO A 5 33.584 23.910 8.633 1.00 0.00 C ATOM 0 HA PRO A 5 30.284 24.239 8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 5 31.599 25.887 6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 5 31.831 26.134 8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 5 33.600 24.637 6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 5 34.061 25.834 7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 5 34.299 23.164 8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 5 33.964 24.303 9.576 1.00 0.00 H new ATOM 87 N LYS A 6 30.788 22.081 6.765 1.00 0.00 N ATOM 88 CA LYS A 6 30.504 21.283 5.582 1.00 0.00 C ATOM 89 C LYS A 6 29.156 21.660 4.969 1.00 0.00 C ATOM 90 O LYS A 6 29.084 22.071 3.812 1.00 0.00 O ATOM 91 CB LYS A 6 30.526 19.796 5.943 1.00 0.00 C ATOM 92 CG LYS A 6 30.374 18.863 4.750 1.00 0.00 C ATOM 93 CD LYS A 6 30.462 17.399 5.168 1.00 0.00 C ATOM 94 CE LYS A 6 31.818 17.065 5.783 1.00 0.00 C ATOM 95 NZ LYS A 6 32.930 17.172 4.801 1.00 0.00 N ATOM 0 H LYS A 6 30.916 21.533 7.616 1.00 0.00 H new ATOM 0 HA LYS A 6 31.275 21.485 4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 6 31.464 19.570 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 6 29.724 19.594 6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.416 19.046 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 6 31.150 19.080 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 6 29.673 17.178 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 6 30.290 16.762 4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 6 32.010 17.737 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 6 31.791 16.053 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 33.809 16.823 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 32.707 16.602 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.053 18.166 4.522 1.00 0.00 H new ATOM 109 N LYS A 7 28.104 21.531 5.759 1.00 0.00 N ATOM 110 CA LYS A 7 26.754 21.849 5.326 1.00 0.00 C ATOM 111 C LYS A 7 25.826 21.730 6.521 1.00 0.00 C ATOM 112 O LYS A 7 26.224 21.193 7.557 1.00 0.00 O ATOM 113 CB LYS A 7 26.304 20.884 4.206 1.00 0.00 C ATOM 114 CG LYS A 7 25.040 21.320 3.471 1.00 0.00 C ATOM 115 CD LYS A 7 24.622 20.301 2.423 1.00 0.00 C ATOM 116 CE LYS A 7 23.442 20.800 1.595 1.00 0.00 C ATOM 117 NZ LYS A 7 22.229 21.046 2.422 1.00 0.00 N ATOM 0 H LYS A 7 28.162 21.201 6.723 1.00 0.00 H new ATOM 0 HA LYS A 7 26.725 22.864 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 7 27.114 20.782 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 7 26.137 19.897 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 7 24.231 21.458 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 7 25.211 22.285 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 7 25.465 20.088 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 7 24.354 19.364 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 7 23.724 21.722 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 7 23.209 20.067 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 21.429 21.285 1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.001 20.190 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 22.408 21.835 3.075 1.00 0.00 H new ATOM 131 N ASP A 8 24.613 22.244 6.393 1.00 0.00 N ATOM 132 CA ASP A 8 23.622 22.150 7.462 1.00 0.00 C ATOM 133 C ASP A 8 23.358 20.693 7.795 1.00 0.00 C ATOM 134 O ASP A 8 23.043 19.894 6.908 1.00 0.00 O ATOM 135 CB ASP A 8 22.311 22.821 7.045 1.00 0.00 C ATOM 136 CG ASP A 8 22.475 24.290 6.743 1.00 0.00 C ATOM 137 OD1 ASP A 8 22.772 24.630 5.584 1.00 0.00 O ATOM 138 OD2 ASP A 8 22.318 25.116 7.663 1.00 0.00 O ATOM 0 H ASP A 8 24.287 22.732 5.559 1.00 0.00 H new ATOM 0 HA ASP A 8 24.016 22.662 8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 8 21.914 22.316 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 8 21.576 22.698 7.841 1.00 0.00 H new ATOM 143 N ASP A 9 23.496 20.339 9.063 1.00 0.00 N ATOM 144 CA ASP A 9 23.272 18.962 9.487 1.00 0.00 C ATOM 145 C ASP A 9 21.791 18.634 9.445 1.00 0.00 C ATOM 146 O ASP A 9 21.399 17.483 9.284 1.00 0.00 O ATOM 147 CB ASP A 9 23.839 18.719 10.892 1.00 0.00 C ATOM 148 CG ASP A 9 23.715 17.266 11.337 1.00 0.00 C ATOM 149 OD1 ASP A 9 23.727 16.363 10.466 1.00 0.00 O ATOM 150 OD2 ASP A 9 23.608 17.020 12.559 1.00 0.00 O ATOM 0 H ASP A 9 23.760 20.979 9.813 1.00 0.00 H new ATOM 0 HA ASP A 9 23.796 18.302 8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 9 24.889 19.011 10.910 1.00 0.00 H new ATOM 0 HB3 ASP A 9 23.318 19.358 11.605 1.00 0.00 H new ATOM 155 N PHE A 10 20.971 19.662 9.567 1.00 0.00 N ATOM 156 CA PHE A 10 19.538 19.495 9.520 1.00 0.00 C ATOM 157 C PHE A 10 19.106 19.097 8.119 1.00 0.00 C ATOM 158 O PHE A 10 19.320 19.835 7.152 1.00 0.00 O ATOM 159 CB PHE A 10 18.828 20.768 9.973 1.00 0.00 C ATOM 160 CG PHE A 10 19.052 21.078 11.425 1.00 0.00 C ATOM 161 CD1 PHE A 10 20.255 21.603 11.850 1.00 0.00 C ATOM 162 CD2 PHE A 10 18.060 20.843 12.361 1.00 0.00 C ATOM 163 CE1 PHE A 10 20.473 21.887 13.182 1.00 0.00 C ATOM 164 CE2 PHE A 10 18.269 21.125 13.697 1.00 0.00 C ATOM 165 CZ PHE A 10 19.479 21.648 14.107 1.00 0.00 C ATOM 0 H PHE A 10 21.280 20.625 9.700 1.00 0.00 H new ATOM 0 HA PHE A 10 19.256 18.698 10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 10 19.177 21.606 9.370 1.00 0.00 H new ATOM 0 HB3 PHE A 10 17.758 20.666 9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 10 21.037 21.794 11.130 1.00 0.00 H new ATOM 0 HD2 PHE A 10 17.112 20.435 12.043 1.00 0.00 H new ATOM 0 HE1 PHE A 10 21.421 22.296 13.500 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.488 20.937 14.419 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.647 21.870 15.151 1.00 0.00 H new ATOM 175 N ARG A 11 18.522 17.928 8.013 1.00 0.00 N ATOM 176 CA ARG A 11 18.115 17.390 6.735 1.00 0.00 C ATOM 177 C ARG A 11 16.603 17.287 6.638 1.00 0.00 C ATOM 178 O ARG A 11 15.995 16.364 7.182 1.00 0.00 O ATOM 179 CB ARG A 11 18.755 16.020 6.519 1.00 0.00 C ATOM 180 CG ARG A 11 20.273 16.061 6.420 1.00 0.00 C ATOM 181 CD ARG A 11 20.869 14.669 6.511 1.00 0.00 C ATOM 182 NE ARG A 11 20.717 14.092 7.851 1.00 0.00 N ATOM 183 CZ ARG A 11 20.536 12.794 8.100 1.00 0.00 C ATOM 184 NH1 ARG A 11 20.436 11.926 7.102 1.00 0.00 N ATOM 185 NH2 ARG A 11 20.447 12.364 9.353 1.00 0.00 N ATOM 0 H ARG A 11 18.315 17.323 8.808 1.00 0.00 H new ATOM 0 HA ARG A 11 18.454 18.071 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 11 18.471 15.363 7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 11 18.352 15.581 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 11 20.566 16.523 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 11 20.675 16.684 7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.387 14.020 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.927 14.710 6.252 1.00 0.00 H new ATOM 0 HE ARG A 11 20.752 14.728 8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 11 20.497 12.250 6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.298 10.935 7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 11 20.517 13.026 10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.309 11.371 9.543 1.00 0.00 H new ATOM 199 N ASN A 12 16.000 18.243 5.960 1.00 0.00 N ATOM 200 CA ASN A 12 14.559 18.254 5.748 1.00 0.00 C ATOM 201 C ASN A 12 14.265 18.414 4.277 1.00 0.00 C ATOM 202 O ASN A 12 14.580 19.452 3.685 1.00 0.00 O ATOM 203 CB ASN A 12 13.876 19.382 6.539 1.00 0.00 C ATOM 204 CG ASN A 12 13.793 19.106 8.030 1.00 0.00 C ATOM 205 OD1 ASN A 12 13.751 17.955 8.466 1.00 0.00 O ATOM 206 ND2 ASN A 12 13.749 20.159 8.817 1.00 0.00 N ATOM 0 H ASN A 12 16.489 19.033 5.540 1.00 0.00 H new ATOM 0 HA ASN A 12 14.160 17.306 6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.423 20.311 6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.870 19.533 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.678 20.038 9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.786 21.097 8.417 1.00 0.00 H new ATOM 213 N GLU A 13 13.674 17.388 3.685 1.00 0.00 N ATOM 214 CA GLU A 13 13.372 17.394 2.265 1.00 0.00 C ATOM 215 C GLU A 13 12.435 18.544 1.912 1.00 0.00 C ATOM 216 O GLU A 13 12.745 19.357 1.040 1.00 0.00 O ATOM 217 CB GLU A 13 12.748 16.067 1.842 1.00 0.00 C ATOM 218 CG GLU A 13 12.773 15.831 0.341 1.00 0.00 C ATOM 219 CD GLU A 13 14.183 15.696 -0.191 1.00 0.00 C ATOM 220 OE1 GLU A 13 14.765 14.598 -0.053 1.00 0.00 O ATOM 221 OE2 GLU A 13 14.719 16.680 -0.741 1.00 0.00 O ATOM 0 H GLU A 13 13.393 16.536 4.171 1.00 0.00 H new ATOM 0 HA GLU A 13 14.309 17.531 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.277 15.253 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.715 16.034 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.210 14.928 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.273 16.658 -0.164 1.00 0.00 H new ATOM 228 N PHE A 14 11.311 18.633 2.604 1.00 0.00 N ATOM 229 CA PHE A 14 10.351 19.692 2.380 1.00 0.00 C ATOM 230 C PHE A 14 9.433 19.747 3.595 1.00 0.00 C ATOM 231 O PHE A 14 9.110 18.707 4.163 1.00 0.00 O ATOM 232 CB PHE A 14 9.536 19.415 1.109 1.00 0.00 C ATOM 233 CG PHE A 14 8.934 20.645 0.488 1.00 0.00 C ATOM 234 CD1 PHE A 14 7.755 21.184 0.973 1.00 0.00 C ATOM 235 CD2 PHE A 14 9.552 21.262 -0.583 1.00 0.00 C ATOM 236 CE1 PHE A 14 7.206 22.315 0.400 1.00 0.00 C ATOM 237 CE2 PHE A 14 9.009 22.389 -1.159 1.00 0.00 C ATOM 238 CZ PHE A 14 7.835 22.918 -0.666 1.00 0.00 C ATOM 0 H PHE A 14 11.042 17.973 3.334 1.00 0.00 H new ATOM 0 HA PHE A 14 10.862 20.645 2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.179 18.928 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.737 18.713 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.258 20.715 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.473 20.855 -0.974 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.285 22.725 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.503 22.858 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.410 23.803 -1.115 1.00 0.00 H new ATOM 248 N ASP A 15 9.032 20.948 4.001 1.00 0.00 N ATOM 249 CA ASP A 15 8.189 21.120 5.196 1.00 0.00 C ATOM 250 C ASP A 15 6.925 20.265 5.123 1.00 0.00 C ATOM 251 O ASP A 15 6.678 19.431 5.992 1.00 0.00 O ATOM 252 CB ASP A 15 7.807 22.588 5.381 1.00 0.00 C ATOM 253 CG ASP A 15 7.074 22.829 6.685 1.00 0.00 C ATOM 254 OD1 ASP A 15 5.829 22.723 6.709 1.00 0.00 O ATOM 255 OD2 ASP A 15 7.742 23.115 7.695 1.00 0.00 O ATOM 0 H ASP A 15 9.272 21.818 3.527 1.00 0.00 H new ATOM 0 HA ASP A 15 8.775 20.790 6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.707 23.202 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.179 22.906 4.549 1.00 0.00 H new ATOM 260 N HIS A 16 6.143 20.473 4.081 1.00 0.00 N ATOM 261 CA HIS A 16 4.913 19.722 3.868 1.00 0.00 C ATOM 262 C HIS A 16 4.488 19.880 2.426 1.00 0.00 C ATOM 263 O HIS A 16 4.833 20.874 1.794 1.00 0.00 O ATOM 264 CB HIS A 16 3.789 20.196 4.824 1.00 0.00 C ATOM 265 CG HIS A 16 3.233 21.567 4.533 1.00 0.00 C ATOM 266 ND1 HIS A 16 1.890 21.804 4.333 1.00 0.00 N ATOM 267 CD2 HIS A 16 3.839 22.773 4.430 1.00 0.00 C ATOM 268 CE1 HIS A 16 1.699 23.090 4.118 1.00 0.00 C ATOM 269 NE2 HIS A 16 2.866 23.699 4.171 1.00 0.00 N ATOM 0 H HIS A 16 6.339 21.165 3.358 1.00 0.00 H new ATOM 0 HA HIS A 16 5.097 18.670 4.085 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.973 19.475 4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.174 20.187 5.844 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.896 22.968 4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.747 23.564 3.930 1.00 0.00 H new ATOM 0 HE2 HIS A 16 3.019 24.699 4.040 1.00 0.00 H new ATOM 278 N LEU A 17 3.710 18.932 1.931 1.00 0.00 N ATOM 279 CA LEU A 17 3.292 18.901 0.541 1.00 0.00 C ATOM 280 C LEU A 17 2.543 17.594 0.296 1.00 0.00 C ATOM 281 O LEU A 17 3.144 16.513 0.289 1.00 0.00 O ATOM 282 CB LEU A 17 4.505 19.012 -0.401 1.00 0.00 C ATOM 283 CG LEU A 17 4.260 19.718 -1.746 1.00 0.00 C ATOM 284 CD1 LEU A 17 5.578 19.974 -2.460 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.325 18.905 -2.632 1.00 0.00 C ATOM 0 H LEU A 17 3.349 18.157 2.487 1.00 0.00 H new ATOM 0 HA LEU A 17 2.641 19.750 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.299 19.543 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.874 18.007 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 17 3.781 20.675 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.386 20.474 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.212 20.606 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.082 19.025 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.171 19.429 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.767 17.928 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.367 18.775 -2.128 1.00 0.00 H new ATOM 297 N LEU A 18 1.242 17.703 0.109 1.00 0.00 N ATOM 298 CA LEU A 18 0.361 16.539 -0.049 1.00 0.00 C ATOM 299 C LEU A 18 0.798 15.573 -1.166 1.00 0.00 C ATOM 300 O LEU A 18 0.666 14.354 -1.023 1.00 0.00 O ATOM 301 CB LEU A 18 -1.107 16.981 -0.215 1.00 0.00 C ATOM 302 CG LEU A 18 -1.357 18.268 -1.027 1.00 0.00 C ATOM 303 CD1 LEU A 18 -1.168 18.037 -2.512 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.742 18.813 -0.744 1.00 0.00 C ATOM 0 H LEU A 18 0.755 18.598 0.061 1.00 0.00 H new ATOM 0 HA LEU A 18 0.448 15.964 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.655 16.167 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.535 17.117 0.778 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.619 19.006 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.353 18.966 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.147 17.704 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.868 17.274 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.901 19.721 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.489 18.069 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.833 19.041 0.318 1.00 0.00 H new ATOM 316 N ILE A 19 1.338 16.100 -2.255 1.00 0.00 N ATOM 317 CA ILE A 19 1.774 15.247 -3.349 1.00 0.00 C ATOM 318 C ILE A 19 2.995 14.433 -2.956 1.00 0.00 C ATOM 319 O ILE A 19 3.077 13.256 -3.270 1.00 0.00 O ATOM 320 CB ILE A 19 2.037 16.045 -4.662 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.717 16.339 -5.367 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.966 15.278 -5.607 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.025 15.088 -5.791 1.00 0.00 C ATOM 0 H ILE A 19 1.483 17.099 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 19 0.953 14.560 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 19 2.525 16.981 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.080 16.924 -4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.911 16.954 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.128 15.863 -6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.922 15.101 -5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.511 14.323 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.955 15.367 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.595 14.513 -6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.249 14.483 -4.913 1.00 0.00 H new ATOM 335 N GLU A 20 3.913 15.046 -2.224 1.00 0.00 N ATOM 336 CA GLU A 20 5.120 14.350 -1.799 1.00 0.00 C ATOM 337 C GLU A 20 4.773 13.255 -0.804 1.00 0.00 C ATOM 338 O GLU A 20 5.453 12.234 -0.723 1.00 0.00 O ATOM 339 CB GLU A 20 6.128 15.325 -1.189 1.00 0.00 C ATOM 340 CG GLU A 20 6.424 16.527 -2.069 1.00 0.00 C ATOM 341 CD GLU A 20 6.851 16.152 -3.472 1.00 0.00 C ATOM 342 OE1 GLU A 20 5.972 15.953 -4.329 1.00 0.00 O ATOM 343 OE2 GLU A 20 8.065 16.068 -3.730 1.00 0.00 O ATOM 0 H GLU A 20 3.848 16.015 -1.914 1.00 0.00 H new ATOM 0 HA GLU A 20 5.578 13.895 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.748 15.674 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.059 14.794 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.536 17.156 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.209 17.124 -1.605 1.00 0.00 H new ATOM 350 N GLN A 21 3.697 13.468 -0.052 1.00 0.00 N ATOM 351 CA GLN A 21 3.229 12.474 0.901 1.00 0.00 C ATOM 352 C GLN A 21 2.705 11.251 0.153 1.00 0.00 C ATOM 353 O GLN A 21 2.966 10.105 0.543 1.00 0.00 O ATOM 354 CB GLN A 21 2.126 13.048 1.794 1.00 0.00 C ATOM 355 CG GLN A 21 2.521 14.312 2.549 1.00 0.00 C ATOM 356 CD GLN A 21 3.754 14.129 3.415 1.00 0.00 C ATOM 357 OE1 GLN A 21 3.660 13.730 4.572 1.00 0.00 O ATOM 358 NE2 GLN A 21 4.913 14.441 2.869 1.00 0.00 N ATOM 0 H GLN A 21 3.136 14.319 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 21 4.067 12.184 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.253 13.265 1.178 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.826 12.287 2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.703 15.113 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.688 14.628 3.176 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.950 14.769 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.772 14.354 3.412 1.00 0.00 H new ATOM 367 N ALA A 22 2.005 11.501 -0.951 1.00 0.00 N ATOM 368 CA ALA A 22 1.450 10.429 -1.760 1.00 0.00 C ATOM 369 C ALA A 22 2.549 9.772 -2.583 1.00 0.00 C ATOM 370 O ALA A 22 2.579 8.557 -2.768 1.00 0.00 O ATOM 371 CB ALA A 22 0.350 10.964 -2.668 1.00 0.00 C ATOM 0 H ALA A 22 1.811 12.439 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 22 1.015 9.680 -1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.055 10.149 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.444 11.398 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.762 11.729 -3.327 1.00 0.00 H new ATOM 377 N ASN A 23 3.465 10.612 -3.054 1.00 0.00 N ATOM 378 CA ASN A 23 4.607 10.182 -3.850 1.00 0.00 C ATOM 379 C ASN A 23 5.486 9.256 -3.026 1.00 0.00 C ATOM 380 O ASN A 23 6.068 8.299 -3.538 1.00 0.00 O ATOM 381 CB ASN A 23 5.410 11.400 -4.317 1.00 0.00 C ATOM 382 CG ASN A 23 6.371 11.083 -5.445 1.00 0.00 C ATOM 383 OD1 ASN A 23 7.531 10.725 -5.217 1.00 0.00 O ATOM 384 ND2 ASN A 23 5.897 11.217 -6.668 1.00 0.00 N ATOM 0 H ASN A 23 3.434 11.619 -2.892 1.00 0.00 H new ATOM 0 HA ASN A 23 4.250 9.643 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.721 12.179 -4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.970 11.803 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.495 11.022 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.932 11.515 -6.811 1.00 0.00 H new ATOM 391 N HIS A 24 5.571 9.542 -1.738 1.00 0.00 N ATOM 392 CA HIS A 24 6.325 8.709 -0.837 1.00 0.00 C ATOM 393 C HIS A 24 5.621 7.369 -0.651 1.00 0.00 C ATOM 394 O HIS A 24 6.267 6.321 -0.641 1.00 0.00 O ATOM 395 CB HIS A 24 6.524 9.403 0.518 1.00 0.00 C ATOM 396 CG HIS A 24 7.331 8.613 1.503 1.00 0.00 C ATOM 397 ND1 HIS A 24 6.772 7.963 2.579 1.00 0.00 N ATOM 398 CD2 HIS A 24 8.662 8.387 1.581 1.00 0.00 C ATOM 399 CE1 HIS A 24 7.721 7.372 3.276 1.00 0.00 C ATOM 400 NE2 HIS A 24 8.879 7.613 2.694 1.00 0.00 N ATOM 0 H HIS A 24 5.124 10.347 -1.299 1.00 0.00 H new ATOM 0 HA HIS A 24 7.309 8.535 -1.273 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.013 10.363 0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.547 9.613 0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.414 8.748 0.895 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.575 6.788 4.173 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.787 7.279 3.017 1.00 0.00 H new ATOM 409 N ALA A 25 4.293 7.404 -0.496 1.00 0.00 N ATOM 410 CA ALA A 25 3.508 6.188 -0.332 1.00 0.00 C ATOM 411 C ALA A 25 3.625 5.262 -1.537 1.00 0.00 C ATOM 412 O ALA A 25 3.817 4.063 -1.374 1.00 0.00 O ATOM 413 CB ALA A 25 2.050 6.536 -0.078 1.00 0.00 C ATOM 0 H ALA A 25 3.745 8.264 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 25 3.910 5.654 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.473 5.619 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.972 7.136 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.659 7.102 -0.923 1.00 0.00 H new ATOM 419 N ILE A 26 3.510 5.812 -2.747 1.00 0.00 N ATOM 420 CA ILE A 26 3.612 4.989 -3.957 1.00 0.00 C ATOM 421 C ILE A 26 5.009 4.377 -4.088 1.00 0.00 C ATOM 422 O ILE A 26 5.150 3.230 -4.502 1.00 0.00 O ATOM 423 CB ILE A 26 3.239 5.763 -5.253 1.00 0.00 C ATOM 424 CG1 ILE A 26 4.133 6.991 -5.435 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.770 6.164 -5.226 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.874 7.758 -6.715 1.00 0.00 C ATOM 0 H ILE A 26 3.349 6.805 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 26 2.880 4.189 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 26 3.402 5.102 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.990 7.661 -4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.176 6.674 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.524 6.705 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.150 5.270 -5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.583 6.804 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.547 8.613 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.046 7.106 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.842 8.108 -6.727 1.00 0.00 H new ATOM 438 N GLU A 27 6.030 5.148 -3.716 1.00 0.00 N ATOM 439 CA GLU A 27 7.406 4.659 -3.722 1.00 0.00 C ATOM 440 C GLU A 27 7.525 3.464 -2.763 1.00 0.00 C ATOM 441 O GLU A 27 8.163 2.441 -3.075 1.00 0.00 O ATOM 442 CB GLU A 27 8.358 5.786 -3.290 1.00 0.00 C ATOM 443 CG GLU A 27 9.836 5.422 -3.285 1.00 0.00 C ATOM 444 CD GLU A 27 10.335 4.952 -4.634 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.210 5.710 -5.619 1.00 0.00 O ATOM 446 OE2 GLU A 27 10.866 3.825 -4.716 1.00 0.00 O ATOM 0 H GLU A 27 5.929 6.115 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 27 7.678 4.338 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.212 6.637 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.078 6.112 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.417 6.289 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.009 4.639 -2.547 1.00 0.00 H new ATOM 453 N LYS A 28 6.886 3.594 -1.610 1.00 0.00 N ATOM 454 CA LYS A 28 6.857 2.537 -0.614 1.00 0.00 C ATOM 455 C LYS A 28 6.090 1.325 -1.143 1.00 0.00 C ATOM 456 O LYS A 28 6.594 0.198 -1.112 1.00 0.00 O ATOM 457 CB LYS A 28 6.219 3.060 0.691 1.00 0.00 C ATOM 458 CG LYS A 28 5.850 1.979 1.713 1.00 0.00 C ATOM 459 CD LYS A 28 7.052 1.145 2.144 1.00 0.00 C ATOM 460 CE LYS A 28 8.124 1.995 2.819 1.00 0.00 C ATOM 461 NZ LYS A 28 9.307 1.189 3.204 1.00 0.00 N ATOM 0 H LYS A 28 6.374 4.434 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 28 7.879 2.224 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.910 3.760 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.319 3.621 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.406 2.450 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.092 1.323 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.724 0.363 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.479 0.647 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.433 2.793 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.705 2.471 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.012 1.803 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.017 0.443 3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.723 0.755 2.355 1.00 0.00 H new ATOM 475 N GLY A 29 4.878 1.575 -1.643 1.00 0.00 N ATOM 476 CA GLY A 29 4.035 0.515 -2.170 1.00 0.00 C ATOM 477 C GLY A 29 4.706 -0.278 -3.265 1.00 0.00 C ATOM 478 O GLY A 29 4.665 -1.501 -3.275 1.00 0.00 O ATOM 0 H GLY A 29 4.463 2.506 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.756 -0.158 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.112 0.949 -2.555 1.00 0.00 H new ATOM 482 N GLU A 30 5.349 0.435 -4.174 1.00 0.00 N ATOM 483 CA GLU A 30 6.042 -0.180 -5.290 1.00 0.00 C ATOM 484 C GLU A 30 7.119 -1.133 -4.785 1.00 0.00 C ATOM 485 O GLU A 30 7.262 -2.256 -5.279 1.00 0.00 O ATOM 486 CB GLU A 30 6.670 0.897 -6.175 1.00 0.00 C ATOM 487 CG GLU A 30 7.492 0.345 -7.325 1.00 0.00 C ATOM 488 CD GLU A 30 8.212 1.422 -8.093 1.00 0.00 C ATOM 489 OE1 GLU A 30 9.103 2.077 -7.509 1.00 0.00 O ATOM 490 OE2 GLU A 30 7.901 1.619 -9.281 1.00 0.00 O ATOM 0 H GLU A 30 5.405 1.453 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 30 5.321 -0.747 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.879 1.530 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.306 1.534 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.220 -0.368 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.838 -0.204 -8.003 1.00 0.00 H new ATOM 497 N HIS A 31 7.851 -0.686 -3.777 1.00 0.00 N ATOM 498 CA HIS A 31 8.946 -1.460 -3.229 1.00 0.00 C ATOM 499 C HIS A 31 8.450 -2.701 -2.488 1.00 0.00 C ATOM 500 O HIS A 31 8.966 -3.795 -2.689 1.00 0.00 O ATOM 501 CB HIS A 31 9.786 -0.599 -2.301 1.00 0.00 C ATOM 502 CG HIS A 31 11.229 -0.981 -2.283 1.00 0.00 C ATOM 503 ND1 HIS A 31 12.202 -0.246 -2.918 1.00 0.00 N ATOM 504 CD2 HIS A 31 11.863 -2.029 -1.714 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.372 -0.823 -2.742 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.194 -1.907 -2.014 1.00 0.00 N ATOM 0 H HIS A 31 7.703 0.215 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 31 9.560 -1.796 -4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.698 0.444 -2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.386 -0.671 -1.290 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.406 -2.816 -1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.316 -0.469 -3.128 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.929 -2.551 -1.721 1.00 0.00 H new ATOM 515 N GLN A 32 7.458 -2.530 -1.630 1.00 0.00 N ATOM 516 CA GLN A 32 6.934 -3.655 -0.860 1.00 0.00 C ATOM 517 C GLN A 32 6.155 -4.626 -1.751 1.00 0.00 C ATOM 518 O GLN A 32 6.122 -5.825 -1.475 1.00 0.00 O ATOM 519 CB GLN A 32 6.107 -3.164 0.357 1.00 0.00 C ATOM 520 CG GLN A 32 4.917 -2.255 0.036 1.00 0.00 C ATOM 521 CD GLN A 32 3.674 -2.993 -0.451 1.00 0.00 C ATOM 522 OE1 GLN A 32 2.894 -2.457 -1.225 1.00 0.00 O ATOM 523 NE2 GLN A 32 3.472 -4.217 0.014 1.00 0.00 N ATOM 0 H GLN A 32 7.001 -1.636 -1.448 1.00 0.00 H new ATOM 0 HA GLN A 32 7.779 -4.215 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.738 -4.036 0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.775 -2.630 1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.660 -1.685 0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.220 -1.536 -0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.143 -4.635 0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.646 -4.742 -0.273 1.00 0.00 H new ATOM 532 N LEU A 33 5.562 -4.128 -2.826 1.00 0.00 N ATOM 533 CA LEU A 33 4.858 -4.996 -3.763 1.00 0.00 C ATOM 534 C LEU A 33 5.847 -5.930 -4.448 1.00 0.00 C ATOM 535 O LEU A 33 5.641 -7.141 -4.483 1.00 0.00 O ATOM 536 CB LEU A 33 4.058 -4.162 -4.796 1.00 0.00 C ATOM 537 CG LEU A 33 3.305 -4.936 -5.919 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.215 -5.203 -7.114 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.720 -6.253 -5.398 1.00 0.00 C ATOM 0 H LEU A 33 5.553 -3.138 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 33 4.140 -5.602 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.327 -3.564 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.748 -3.466 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 33 2.481 -4.302 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.660 -5.744 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.567 -4.256 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.069 -5.800 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.202 -6.767 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.525 -6.886 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.017 -6.045 -4.592 1.00 0.00 H new ATOM 551 N LEU A 34 6.943 -5.372 -4.954 1.00 0.00 N ATOM 552 CA LEU A 34 7.934 -6.183 -5.644 1.00 0.00 C ATOM 553 C LEU A 34 8.618 -7.139 -4.667 1.00 0.00 C ATOM 554 O LEU A 34 9.059 -8.226 -5.049 1.00 0.00 O ATOM 555 CB LEU A 34 8.958 -5.309 -6.420 1.00 0.00 C ATOM 556 CG LEU A 34 9.819 -4.323 -5.606 1.00 0.00 C ATOM 557 CD1 LEU A 34 11.012 -5.022 -4.964 1.00 0.00 C ATOM 558 CD2 LEU A 34 10.291 -3.175 -6.489 1.00 0.00 C ATOM 0 H LEU A 34 7.163 -4.378 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 34 7.417 -6.785 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.631 -5.978 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.411 -4.737 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 34 9.197 -3.922 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.597 -4.297 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.657 -5.805 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.636 -5.464 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.898 -2.488 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.887 -3.570 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.427 -2.644 -6.889 1.00 0.00 H new ATOM 570 N TYR A 35 8.682 -6.733 -3.396 1.00 0.00 N ATOM 571 CA TYR A 35 9.292 -7.552 -2.366 1.00 0.00 C ATOM 572 C TYR A 35 8.459 -8.802 -2.112 1.00 0.00 C ATOM 573 O TYR A 35 8.954 -9.929 -2.231 1.00 0.00 O ATOM 574 CB TYR A 35 9.485 -6.767 -1.064 1.00 0.00 C ATOM 575 CG TYR A 35 10.158 -7.581 0.026 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.540 -7.688 0.089 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.406 -8.254 0.982 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.154 -8.441 1.070 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.007 -9.006 1.965 1.00 0.00 C ATOM 580 CZ TYR A 35 11.383 -9.099 2.007 1.00 0.00 C ATOM 581 OH TYR A 35 11.990 -9.853 2.984 1.00 0.00 O ATOM 0 H TYR A 35 8.316 -5.841 -3.064 1.00 0.00 H new ATOM 0 HA TYR A 35 10.277 -7.852 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.083 -5.878 -1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.514 -6.423 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.146 -7.173 -0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.329 -8.185 0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.231 -8.515 1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.405 -9.521 2.700 1.00 0.00 H new ATOM 0 HH TYR A 35 11.306 -10.249 3.564 1.00 0.00 H new ATOM 591 N LEU A 36 7.182 -8.598 -1.751 1.00 0.00 N ATOM 592 CA LEU A 36 6.277 -9.709 -1.485 1.00 0.00 C ATOM 593 C LEU A 36 6.059 -10.548 -2.733 1.00 0.00 C ATOM 594 O LEU A 36 5.835 -11.746 -2.642 1.00 0.00 O ATOM 595 CB LEU A 36 4.926 -9.229 -0.920 1.00 0.00 C ATOM 596 CG LEU A 36 4.866 -8.924 0.594 1.00 0.00 C ATOM 597 CD1 LEU A 36 5.424 -10.079 1.412 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.580 -7.625 0.928 1.00 0.00 C ATOM 0 H LEU A 36 6.762 -7.675 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 36 6.752 -10.330 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.635 -8.327 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.177 -9.989 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 36 3.816 -8.802 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.368 -9.834 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.841 -10.979 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.464 -10.253 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.518 -7.441 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.626 -7.698 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.108 -6.802 0.391 1.00 0.00 H new ATOM 610 N GLN A 37 6.114 -9.909 -3.900 1.00 0.00 N ATOM 611 CA GLN A 37 5.961 -10.620 -5.164 1.00 0.00 C ATOM 612 C GLN A 37 7.102 -11.633 -5.331 1.00 0.00 C ATOM 613 O GLN A 37 6.905 -12.740 -5.841 1.00 0.00 O ATOM 614 CB GLN A 37 5.920 -9.637 -6.342 1.00 0.00 C ATOM 615 CG GLN A 37 5.530 -10.276 -7.667 1.00 0.00 C ATOM 616 CD GLN A 37 5.255 -9.253 -8.753 1.00 0.00 C ATOM 617 OE1 GLN A 37 6.157 -8.842 -9.483 1.00 0.00 O ATOM 618 NE2 GLN A 37 4.005 -8.845 -8.874 1.00 0.00 N ATOM 0 H GLN A 37 6.263 -8.904 -3.995 1.00 0.00 H new ATOM 0 HA GLN A 37 5.014 -11.160 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.213 -8.840 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.900 -9.172 -6.449 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.329 -10.941 -7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.643 -10.892 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.287 -9.210 -8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.758 -8.165 -9.593 1.00 0.00 H new ATOM 627 N HIS A 38 8.297 -11.248 -4.881 1.00 0.00 N ATOM 628 CA HIS A 38 9.444 -12.146 -4.889 1.00 0.00 C ATOM 629 C HIS A 38 9.183 -13.301 -3.922 1.00 0.00 C ATOM 630 O HIS A 38 9.409 -14.472 -4.249 1.00 0.00 O ATOM 631 CB HIS A 38 10.716 -11.392 -4.490 1.00 0.00 C ATOM 632 CG HIS A 38 11.952 -12.219 -4.610 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.702 -12.279 -5.755 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.551 -13.041 -3.727 1.00 0.00 C ATOM 635 CE1 HIS A 38 13.708 -13.103 -5.575 1.00 0.00 C ATOM 636 NE2 HIS A 38 13.643 -13.581 -4.348 1.00 0.00 N ATOM 0 H HIS A 38 8.492 -10.319 -4.507 1.00 0.00 H new ATOM 0 HA HIS A 38 9.587 -12.541 -5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.817 -10.506 -5.117 1.00 0.00 H new ATOM 0 HB3 HIS A 38 10.617 -11.045 -3.461 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.228 -13.237 -2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 38 14.462 -13.348 -6.308 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.298 -14.243 -3.932 1.00 0.00 H new ATOM 645 N GLN A 39 8.712 -12.952 -2.724 1.00 0.00 N ATOM 646 CA GLN A 39 8.344 -13.947 -1.718 1.00 0.00 C ATOM 647 C GLN A 39 7.319 -14.928 -2.285 1.00 0.00 C ATOM 648 O GLN A 39 7.423 -16.134 -2.084 1.00 0.00 O ATOM 649 CB GLN A 39 7.791 -13.270 -0.458 1.00 0.00 C ATOM 650 CG GLN A 39 8.829 -12.490 0.339 1.00 0.00 C ATOM 651 CD GLN A 39 9.953 -13.372 0.861 1.00 0.00 C ATOM 652 OE1 GLN A 39 9.758 -14.558 1.113 1.00 0.00 O ATOM 653 NE2 GLN A 39 11.126 -12.795 1.042 1.00 0.00 N ATOM 0 H GLN A 39 8.576 -11.986 -2.427 1.00 0.00 H new ATOM 0 HA GLN A 39 9.242 -14.500 -1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.987 -12.593 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.351 -14.031 0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.250 -11.706 -0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.340 -11.996 1.179 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.248 -11.807 0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.911 -13.337 1.403 1.00 0.00 H new ATOM 662 N LEU A 40 6.320 -14.384 -2.987 1.00 0.00 N ATOM 663 CA LEU A 40 5.292 -15.170 -3.665 1.00 0.00 C ATOM 664 C LEU A 40 5.910 -16.249 -4.540 1.00 0.00 C ATOM 665 O LEU A 40 5.510 -17.412 -4.472 1.00 0.00 O ATOM 666 CB LEU A 40 4.400 -14.251 -4.509 1.00 0.00 C ATOM 667 CG LEU A 40 3.460 -14.940 -5.508 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.453 -15.827 -4.794 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.747 -13.905 -6.363 1.00 0.00 C ATOM 0 H LEU A 40 6.204 -13.377 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 40 4.685 -15.661 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.796 -13.647 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.042 -13.565 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 40 4.063 -15.575 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.801 -16.301 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.981 -16.594 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.854 -15.222 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.084 -14.409 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.162 -13.244 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.483 -13.319 -6.914 1.00 0.00 H new ATOM 681 N ASP A 41 6.887 -15.863 -5.359 1.00 0.00 N ATOM 682 CA ASP A 41 7.567 -16.806 -6.244 1.00 0.00 C ATOM 683 C ASP A 41 8.184 -17.949 -5.444 1.00 0.00 C ATOM 684 O ASP A 41 8.099 -19.117 -5.840 1.00 0.00 O ATOM 685 CB ASP A 41 8.647 -16.092 -7.062 1.00 0.00 C ATOM 686 CG ASP A 41 9.339 -17.016 -8.039 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.832 -17.173 -9.174 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.391 -17.588 -7.681 1.00 0.00 O ATOM 0 H ASP A 41 7.225 -14.903 -5.428 1.00 0.00 H new ATOM 0 HA ASP A 41 6.827 -17.222 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.196 -15.263 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.387 -15.664 -6.386 1.00 0.00 H new ATOM 693 N GLU A 42 8.783 -17.612 -4.309 1.00 0.00 N ATOM 694 CA GLU A 42 9.382 -18.622 -3.447 1.00 0.00 C ATOM 695 C GLU A 42 8.282 -19.520 -2.879 1.00 0.00 C ATOM 696 O GLU A 42 8.406 -20.746 -2.842 1.00 0.00 O ATOM 697 CB GLU A 42 10.171 -17.974 -2.310 1.00 0.00 C ATOM 698 CG GLU A 42 10.958 -18.974 -1.482 1.00 0.00 C ATOM 699 CD GLU A 42 11.628 -18.350 -0.284 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.331 -17.325 -0.449 1.00 0.00 O ATOM 701 OE2 GLU A 42 11.484 -18.893 0.830 1.00 0.00 O ATOM 0 H GLU A 42 8.867 -16.655 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 42 10.075 -19.220 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.858 -17.237 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.482 -17.436 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.288 -19.765 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.715 -19.443 -2.111 1.00 0.00 H new ATOM 708 N LEU A 43 7.199 -18.882 -2.459 1.00 0.00 N ATOM 709 CA LEU A 43 6.048 -19.577 -1.906 1.00 0.00 C ATOM 710 C LEU A 43 5.507 -20.610 -2.894 1.00 0.00 C ATOM 711 O LEU A 43 5.118 -21.704 -2.495 1.00 0.00 O ATOM 712 CB LEU A 43 4.938 -18.598 -1.513 1.00 0.00 C ATOM 713 CG LEU A 43 3.714 -19.227 -0.832 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.080 -19.798 0.525 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.584 -18.220 -0.713 1.00 0.00 C ATOM 0 H LEU A 43 7.095 -17.868 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 43 6.383 -20.093 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.359 -17.848 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.605 -18.075 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 43 3.367 -20.050 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.195 -20.237 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.844 -20.565 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.464 -19.002 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.728 -18.689 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.916 -17.369 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.295 -17.878 -1.707 1.00 0.00 H new ATOM 727 N ASN A 44 5.491 -20.267 -4.186 1.00 0.00 N ATOM 728 CA ASN A 44 5.016 -21.184 -5.233 1.00 0.00 C ATOM 729 C ASN A 44 5.810 -22.486 -5.221 1.00 0.00 C ATOM 730 O ASN A 44 5.268 -23.559 -5.455 1.00 0.00 O ATOM 731 CB ASN A 44 5.143 -20.531 -6.626 1.00 0.00 C ATOM 732 CG ASN A 44 4.420 -19.196 -6.771 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.356 -19.001 -6.023 1.00 0.00 O flip ATOM 734 ND2 ASN A 44 4.828 -18.347 -7.562 1.00 0.00 N flip ATOM 0 H ASN A 44 5.802 -19.360 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 44 3.968 -21.402 -5.026 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.200 -20.383 -6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.754 -21.223 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.657 -18.532 -8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.337 -17.457 -7.653 1.00 0.00 H new ATOM 741 N GLU A 45 7.092 -22.379 -4.939 1.00 0.00 N ATOM 742 CA GLU A 45 7.969 -23.537 -4.929 1.00 0.00 C ATOM 743 C GLU A 45 7.888 -24.291 -3.602 1.00 0.00 C ATOM 744 O GLU A 45 7.761 -25.519 -3.578 1.00 0.00 O ATOM 745 CB GLU A 45 9.419 -23.111 -5.174 1.00 0.00 C ATOM 746 CG GLU A 45 10.380 -24.278 -5.331 1.00 0.00 C ATOM 747 CD GLU A 45 11.826 -23.887 -5.119 1.00 0.00 C ATOM 748 OE1 GLU A 45 12.337 -23.030 -5.868 1.00 0.00 O ATOM 749 OE2 GLU A 45 12.462 -24.436 -4.197 1.00 0.00 O ATOM 0 H GLU A 45 7.554 -21.498 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 45 7.638 -24.200 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.461 -22.494 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.751 -22.488 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.113 -25.059 -4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.267 -24.703 -6.328 1.00 0.00 H new ATOM 756 N ASN A 46 7.928 -23.553 -2.509 1.00 0.00 N ATOM 757 CA ASN A 46 7.982 -24.148 -1.175 1.00 0.00 C ATOM 758 C ASN A 46 6.626 -24.697 -0.727 1.00 0.00 C ATOM 759 O ASN A 46 6.560 -25.743 -0.085 1.00 0.00 O ATOM 760 CB ASN A 46 8.483 -23.110 -0.157 1.00 0.00 C ATOM 761 CG ASN A 46 9.937 -22.701 -0.368 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.463 -22.754 -1.478 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.587 -22.278 0.698 1.00 0.00 N ATOM 0 H ASN A 46 7.924 -22.533 -2.513 1.00 0.00 H new ATOM 0 HA ASN A 46 8.675 -24.988 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.853 -22.223 -0.215 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.371 -23.516 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.559 -21.981 0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.117 -22.248 1.603 1.00 0.00 H new ATOM 770 N LYS A 47 5.548 -23.985 -1.094 1.00 0.00 N ATOM 771 CA LYS A 47 4.169 -24.332 -0.654 1.00 0.00 C ATOM 772 C LYS A 47 4.111 -24.368 0.881 1.00 0.00 C ATOM 773 O LYS A 47 3.234 -25.002 1.483 1.00 0.00 O ATOM 774 CB LYS A 47 3.751 -25.693 -1.211 1.00 0.00 C ATOM 775 CG LYS A 47 3.695 -25.744 -2.729 1.00 0.00 C ATOM 776 CD LYS A 47 2.541 -24.914 -3.284 1.00 0.00 C ATOM 777 CE LYS A 47 2.562 -24.884 -4.807 1.00 0.00 C ATOM 778 NZ LYS A 47 2.674 -26.242 -5.397 1.00 0.00 N ATOM 0 H LYS A 47 5.596 -23.162 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 47 3.483 -23.574 -1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.450 -26.450 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.771 -25.953 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.636 -25.378 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.587 -26.779 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.594 -25.329 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.603 -23.897 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.652 -24.406 -5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.400 -24.274 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.448 -26.199 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.644 -26.596 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.008 -26.883 -4.921 1.00 0.00 H new ATOM 792 N SER A 48 5.050 -23.669 1.490 1.00 0.00 N ATOM 793 CA SER A 48 5.173 -23.628 2.925 1.00 0.00 C ATOM 794 C SER A 48 3.993 -22.910 3.534 1.00 0.00 C ATOM 795 O SER A 48 3.786 -21.722 3.290 1.00 0.00 O ATOM 796 CB SER A 48 6.481 -22.960 3.334 1.00 0.00 C ATOM 797 OG SER A 48 7.594 -23.620 2.762 1.00 0.00 O ATOM 0 H SER A 48 5.749 -23.113 0.997 1.00 0.00 H new ATOM 0 HA SER A 48 5.184 -24.651 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.473 -21.916 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.571 -22.965 4.420 1.00 0.00 H new ATOM 0 HG SER A 48 8.419 -23.170 3.039 1.00 0.00 H new ATOM 803 N LYS A 49 3.224 -23.631 4.328 1.00 0.00 N ATOM 804 CA LYS A 49 2.044 -23.078 4.961 1.00 0.00 C ATOM 805 C LYS A 49 2.409 -21.884 5.851 1.00 0.00 C ATOM 806 O LYS A 49 1.762 -20.849 5.804 1.00 0.00 O ATOM 807 CB LYS A 49 1.278 -24.170 5.751 1.00 0.00 C ATOM 808 CG LYS A 49 2.024 -24.757 6.949 1.00 0.00 C ATOM 809 CD LYS A 49 3.132 -25.707 6.521 1.00 0.00 C ATOM 810 CE LYS A 49 3.673 -26.501 7.698 1.00 0.00 C ATOM 811 NZ LYS A 49 2.630 -27.367 8.306 1.00 0.00 N ATOM 0 H LYS A 49 3.399 -24.611 4.551 1.00 0.00 H new ATOM 0 HA LYS A 49 1.377 -22.711 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.337 -23.747 6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.028 -24.981 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.449 -23.948 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.320 -25.287 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.752 -26.392 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.941 -25.140 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.509 -27.117 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.061 -25.815 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.084 -28.122 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.026 -26.796 8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.049 -27.790 7.555 1.00 0.00 H new ATOM 825 N GLU A 50 3.476 -22.036 6.632 1.00 0.00 N ATOM 826 CA GLU A 50 3.948 -20.967 7.514 1.00 0.00 C ATOM 827 C GLU A 50 4.425 -19.754 6.703 1.00 0.00 C ATOM 828 O GLU A 50 4.248 -18.608 7.120 1.00 0.00 O ATOM 829 CB GLU A 50 5.072 -21.479 8.425 1.00 0.00 C ATOM 830 CG GLU A 50 6.216 -22.149 7.668 1.00 0.00 C ATOM 831 CD GLU A 50 7.303 -22.675 8.581 1.00 0.00 C ATOM 832 OE1 GLU A 50 8.127 -21.871 9.052 1.00 0.00 O ATOM 833 OE2 GLU A 50 7.342 -23.899 8.821 1.00 0.00 O ATOM 0 H GLU A 50 4.032 -22.890 6.673 1.00 0.00 H new ATOM 0 HA GLU A 50 3.112 -20.650 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.469 -20.644 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.655 -22.189 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.818 -22.972 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.650 -21.433 6.970 1.00 0.00 H new ATOM 840 N LEU A 51 5.005 -20.015 5.545 1.00 0.00 N ATOM 841 CA LEU A 51 5.466 -18.944 4.672 1.00 0.00 C ATOM 842 C LEU A 51 4.265 -18.176 4.147 1.00 0.00 C ATOM 843 O LEU A 51 4.259 -16.947 4.129 1.00 0.00 O ATOM 844 CB LEU A 51 6.298 -19.502 3.514 1.00 0.00 C ATOM 845 CG LEU A 51 6.868 -18.467 2.532 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.759 -17.469 3.252 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.638 -19.163 1.420 1.00 0.00 C ATOM 0 H LEU A 51 5.169 -20.956 5.186 1.00 0.00 H new ATOM 0 HA LEU A 51 6.105 -18.270 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.128 -20.073 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.679 -20.203 2.953 1.00 0.00 H new ATOM 0 HG LEU A 51 6.035 -17.919 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.150 -16.747 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.179 -16.947 4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.588 -17.996 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.036 -18.418 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.460 -19.736 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.970 -19.835 0.881 1.00 0.00 H new ATOM 859 N GLN A 52 3.239 -18.921 3.750 1.00 0.00 N ATOM 860 CA GLN A 52 2.000 -18.335 3.257 1.00 0.00 C ATOM 861 C GLN A 52 1.387 -17.407 4.298 1.00 0.00 C ATOM 862 O GLN A 52 1.004 -16.278 3.990 1.00 0.00 O ATOM 863 CB GLN A 52 0.998 -19.433 2.904 1.00 0.00 C ATOM 864 CG GLN A 52 -0.390 -18.908 2.585 1.00 0.00 C ATOM 865 CD GLN A 52 -1.423 -20.004 2.517 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.695 -20.553 1.458 1.00 0.00 O ATOM 867 NE2 GLN A 52 -1.990 -20.347 3.655 1.00 0.00 N ATOM 0 H GLN A 52 3.243 -19.941 3.761 1.00 0.00 H new ATOM 0 HA GLN A 52 2.235 -17.757 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.372 -19.993 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.930 -20.133 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.684 -18.184 3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.364 -18.379 1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.736 -19.865 4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.683 -21.095 3.674 1.00 0.00 H new ATOM 876 N GLU A 53 1.326 -17.881 5.537 1.00 0.00 N ATOM 877 CA GLU A 53 0.723 -17.131 6.624 1.00 0.00 C ATOM 878 C GLU A 53 1.442 -15.798 6.842 1.00 0.00 C ATOM 879 O GLU A 53 0.796 -14.759 6.975 1.00 0.00 O ATOM 880 CB GLU A 53 0.727 -17.970 7.906 1.00 0.00 C ATOM 881 CG GLU A 53 0.017 -19.317 7.773 1.00 0.00 C ATOM 882 CD GLU A 53 -1.441 -19.186 7.371 1.00 0.00 C ATOM 883 OE1 GLU A 53 -2.287 -18.960 8.260 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.752 -19.311 6.167 1.00 0.00 O ATOM 0 H GLU A 53 1.692 -18.792 5.812 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.309 -16.907 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.759 -18.144 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.252 -17.398 8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.538 -19.924 7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.079 -19.849 8.722 1.00 0.00 H new ATOM 891 N LYS A 54 2.779 -15.830 6.860 1.00 0.00 N ATOM 892 CA LYS A 54 3.565 -14.602 7.031 1.00 0.00 C ATOM 893 C LYS A 54 3.317 -13.643 5.873 1.00 0.00 C ATOM 894 O LYS A 54 3.128 -12.444 6.075 1.00 0.00 O ATOM 895 CB LYS A 54 5.068 -14.896 7.116 1.00 0.00 C ATOM 896 CG LYS A 54 5.482 -15.811 8.258 1.00 0.00 C ATOM 897 CD LYS A 54 6.914 -15.515 8.702 1.00 0.00 C ATOM 898 CE LYS A 54 7.911 -15.615 7.549 1.00 0.00 C ATOM 899 NZ LYS A 54 8.197 -17.018 7.172 1.00 0.00 N ATOM 0 H LYS A 54 3.334 -16.680 6.760 1.00 0.00 H new ATOM 0 HA LYS A 54 3.244 -14.147 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.388 -15.346 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.602 -13.951 7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.802 -15.680 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.402 -16.851 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.959 -14.515 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.200 -16.214 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.517 -15.082 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.840 -15.121 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.878 -17.034 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.598 -17.522 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.316 -17.485 6.876 1.00 0.00 H new ATOM 913 N ILE A 55 3.302 -14.190 4.669 1.00 0.00 N ATOM 914 CA ILE A 55 3.102 -13.390 3.469 1.00 0.00 C ATOM 915 C ILE A 55 1.735 -12.708 3.489 1.00 0.00 C ATOM 916 O ILE A 55 1.636 -11.504 3.270 1.00 0.00 O ATOM 917 CB ILE A 55 3.271 -14.228 2.174 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.727 -14.698 2.042 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.856 -13.421 0.946 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.978 -15.591 0.845 1.00 0.00 C ATOM 0 H ILE A 55 3.426 -15.187 4.495 1.00 0.00 H new ATOM 0 HA ILE A 55 3.876 -12.622 3.466 1.00 0.00 H new ATOM 0 HB ILE A 55 2.621 -15.101 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.376 -13.825 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.009 -15.234 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.983 -14.030 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.810 -13.128 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.478 -12.529 0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.029 -15.881 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.357 -16.484 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.729 -15.052 -0.069 1.00 0.00 H new ATOM 932 N ILE A 56 0.692 -13.476 3.780 1.00 0.00 N ATOM 933 CA ILE A 56 -0.663 -12.936 3.835 1.00 0.00 C ATOM 934 C ILE A 56 -0.799 -11.888 4.943 1.00 0.00 C ATOM 935 O ILE A 56 -1.400 -10.838 4.735 1.00 0.00 O ATOM 936 CB ILE A 56 -1.718 -14.056 4.053 1.00 0.00 C ATOM 937 CG1 ILE A 56 -1.710 -15.031 2.870 1.00 0.00 C ATOM 938 CG2 ILE A 56 -3.112 -13.461 4.247 1.00 0.00 C ATOM 939 CD1 ILE A 56 -2.700 -16.169 3.007 1.00 0.00 C ATOM 0 H ILE A 56 0.757 -14.474 3.982 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.850 -12.462 2.871 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.455 -14.603 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.929 -14.480 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.708 -15.445 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.833 -14.265 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.110 -12.807 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.389 -12.886 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.635 -16.815 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.469 -16.746 3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.710 -15.766 3.086 1.00 0.00 H new ATOM 951 N ARG A 57 -0.210 -12.156 6.099 1.00 0.00 N ATOM 952 CA ARG A 57 -0.324 -11.239 7.233 1.00 0.00 C ATOM 953 C ARG A 57 0.426 -9.945 6.994 1.00 0.00 C ATOM 954 O ARG A 57 -0.088 -8.867 7.293 1.00 0.00 O ATOM 955 CB ARG A 57 0.135 -11.898 8.537 1.00 0.00 C ATOM 956 CG ARG A 57 -0.992 -12.557 9.322 1.00 0.00 C ATOM 957 CD ARG A 57 -1.696 -13.613 8.499 1.00 0.00 C ATOM 958 NE ARG A 57 -2.777 -14.261 9.236 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.037 -15.561 9.176 1.00 0.00 C ATOM 960 NH1 ARG A 57 -2.266 -16.349 8.451 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.062 -16.072 9.846 1.00 0.00 N ATOM 0 H ARG A 57 0.347 -12.991 6.280 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.381 -10.993 7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.892 -12.648 8.308 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.612 -11.146 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.590 -13.009 10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.710 -11.799 9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.098 -13.157 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.973 -14.365 8.182 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.367 -13.680 9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.474 -15.958 7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.462 -17.349 8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.655 -15.465 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.257 -17.072 9.796 1.00 0.00 H new ATOM 975 N GLU A 58 1.627 -10.033 6.438 1.00 0.00 N ATOM 976 CA GLU A 58 2.396 -8.841 6.181 1.00 0.00 C ATOM 977 C GLU A 58 1.799 -8.065 5.015 1.00 0.00 C ATOM 978 O GLU A 58 1.758 -6.835 5.037 1.00 0.00 O ATOM 979 CB GLU A 58 3.860 -9.172 5.920 1.00 0.00 C ATOM 980 CG GLU A 58 4.736 -7.951 5.752 1.00 0.00 C ATOM 981 CD GLU A 58 6.200 -8.299 5.697 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.706 -8.600 4.600 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.861 -8.279 6.762 1.00 0.00 O ATOM 0 H GLU A 58 2.077 -10.906 6.163 1.00 0.00 H new ATOM 0 HA GLU A 58 2.354 -8.214 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.241 -9.771 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.931 -9.786 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.455 -7.428 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.559 -7.264 6.579 1.00 0.00 H new ATOM 990 N LEU A 59 1.314 -8.779 4.010 1.00 0.00 N ATOM 991 CA LEU A 59 0.694 -8.148 2.860 1.00 0.00 C ATOM 992 C LEU A 59 -0.540 -7.374 3.301 1.00 0.00 C ATOM 993 O LEU A 59 -0.746 -6.228 2.904 1.00 0.00 O ATOM 994 CB LEU A 59 0.316 -9.199 1.810 1.00 0.00 C ATOM 995 CG LEU A 59 -0.297 -8.669 0.511 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.679 -7.757 -0.215 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.714 -9.822 -0.384 1.00 0.00 C ATOM 0 H LEU A 59 1.339 -9.798 3.970 1.00 0.00 H new ATOM 0 HA LEU A 59 1.406 -7.456 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.211 -9.769 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.390 -9.896 2.262 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.182 -8.086 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.221 -7.393 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.931 -6.911 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.585 -8.312 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.148 -9.430 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.158 -10.430 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.452 -10.435 0.133 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.344 -8.011 4.143 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.580 -7.421 4.642 1.00 0.00 C ATOM 1011 C ASP A 60 -2.317 -6.195 5.516 1.00 0.00 C ATOM 1012 O ASP A 60 -2.949 -5.158 5.333 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.391 -8.455 5.421 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.745 -7.932 5.846 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.632 -7.797 4.979 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.941 -7.669 7.049 1.00 0.00 O ATOM 0 H ASP A 60 -1.158 -8.949 4.499 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.154 -7.093 3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.526 -9.344 4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.830 -8.761 6.304 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.370 -6.305 6.452 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.080 -5.189 7.357 1.00 0.00 C ATOM 1023 C VAL A 61 -0.539 -3.975 6.587 1.00 0.00 C ATOM 1024 O VAL A 61 -0.872 -2.824 6.901 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.105 -5.587 8.512 1.00 0.00 C ATOM 1026 CG1 VAL A 61 1.277 -5.930 7.989 1.00 0.00 C ATOM 1027 CG2 VAL A 61 -0.027 -4.484 9.557 1.00 0.00 C ATOM 0 H VAL A 61 -0.801 -7.138 6.602 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.028 -4.914 7.820 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.508 -6.483 8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.925 -6.201 8.823 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.206 -6.769 7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.695 -5.067 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.657 -4.783 10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.335 -3.567 9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.017 -4.311 9.978 1.00 0.00 H new ATOM 1037 N VAL A 62 0.279 -4.234 5.567 1.00 0.00 N ATOM 1038 CA VAL A 62 0.812 -3.171 4.732 1.00 0.00 C ATOM 1039 C VAL A 62 -0.289 -2.623 3.835 1.00 0.00 C ATOM 1040 O VAL A 62 -0.372 -1.416 3.610 1.00 0.00 O ATOM 1041 CB VAL A 62 2.010 -3.653 3.872 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.483 -2.551 2.938 1.00 0.00 C ATOM 1043 CG2 VAL A 62 3.157 -4.107 4.765 1.00 0.00 C ATOM 0 H VAL A 62 0.584 -5.171 5.304 1.00 0.00 H new ATOM 0 HA VAL A 62 1.179 -2.383 5.389 1.00 0.00 H new ATOM 0 HB VAL A 62 1.675 -4.497 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.323 -2.912 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.668 -2.262 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.797 -1.687 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.989 -4.442 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.482 -3.276 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.822 -4.929 5.398 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.160 -3.495 3.362 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.263 -3.067 2.529 1.00 0.00 C ATOM 1055 C CYS A 63 -3.191 -2.165 3.335 1.00 0.00 C ATOM 1056 O CYS A 63 -3.670 -1.156 2.844 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.037 -4.266 1.973 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.351 -3.827 0.809 1.00 0.00 S ATOM 0 H CYS A 63 -1.124 -4.499 3.540 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.861 -2.511 1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.337 -4.937 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.474 -4.819 2.804 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.728 -2.601 1.022 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.391 -2.526 4.597 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.276 -1.794 5.495 1.00 0.00 C ATOM 1066 C ALA A 64 -3.724 -0.413 5.809 1.00 0.00 C ATOM 1067 O ALA A 64 -4.467 0.572 5.794 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.470 -2.575 6.782 1.00 0.00 C ATOM 0 H ALA A 64 -2.944 -3.336 5.027 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.237 -1.671 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.132 -2.021 7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.912 -3.545 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.505 -2.720 7.269 1.00 0.00 H new ATOM 1074 N MET A 65 -2.430 -0.329 6.089 1.00 0.00 N ATOM 1075 CA MET A 65 -1.817 0.957 6.400 1.00 0.00 C ATOM 1076 C MET A 65 -1.811 1.850 5.161 1.00 0.00 C ATOM 1077 O MET A 65 -2.012 3.063 5.255 1.00 0.00 O ATOM 1078 CB MET A 65 -0.395 0.782 6.957 1.00 0.00 C ATOM 1079 CG MET A 65 0.632 0.342 5.934 1.00 0.00 C ATOM 1080 SD MET A 65 2.285 0.161 6.625 1.00 0.00 S ATOM 1081 CE MET A 65 2.019 -1.185 7.765 1.00 0.00 C ATOM 0 H MET A 65 -1.791 -1.124 6.108 1.00 0.00 H new ATOM 0 HA MET A 65 -2.413 1.438 7.176 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.071 1.726 7.395 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.422 0.049 7.764 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.320 -0.608 5.500 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.662 1.069 5.122 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.011 -0.801 8.785 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.063 -1.661 7.549 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.821 -1.916 7.659 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.598 1.235 4.000 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.631 1.955 2.738 1.00 0.00 C ATOM 1093 C ILE A 66 -3.059 2.431 2.431 1.00 0.00 C ATOM 1094 O ILE A 66 -3.263 3.559 1.982 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.052 1.092 1.561 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.450 1.381 1.352 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.817 1.322 0.261 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.336 1.067 2.548 1.00 0.00 C ATOM 0 H ILE A 66 -1.401 0.238 3.911 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.990 2.831 2.835 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.173 0.046 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.801 0.803 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.570 2.434 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.386 0.707 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.863 1.051 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.749 2.373 -0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.372 1.303 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.019 1.665 3.403 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.253 0.008 2.794 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.045 1.574 2.715 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.453 1.918 2.522 1.00 0.00 C ATOM 1112 C GLU A 67 -5.834 3.078 3.427 1.00 0.00 C ATOM 1113 O GLU A 67 -6.572 3.979 3.029 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.349 0.712 2.831 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.355 -0.357 1.750 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.193 0.031 0.558 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -6.665 0.658 -0.375 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -8.401 -0.283 0.554 1.00 0.00 O ATOM 0 H GLU A 67 -3.891 0.634 3.081 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.597 2.207 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.022 0.262 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.370 1.062 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.332 -0.546 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.734 -1.290 2.168 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.301 3.051 4.644 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.585 4.084 5.613 1.00 0.00 C ATOM 1127 C GLY A 68 -5.046 5.425 5.185 1.00 0.00 C ATOM 1128 O GLY A 68 -5.737 6.445 5.278 1.00 0.00 O ATOM 0 H GLY A 68 -4.670 2.321 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.663 4.157 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.150 3.809 6.574 1.00 0.00 H new ATOM 1132 N ALA A 69 -3.807 5.421 4.698 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.163 6.632 4.227 1.00 0.00 C ATOM 1134 C ALA A 69 -3.854 7.147 2.978 1.00 0.00 C ATOM 1135 O ALA A 69 -4.074 8.340 2.843 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.685 6.386 3.955 1.00 0.00 C ATOM 0 H ALA A 69 -3.230 4.583 4.622 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.245 7.389 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.222 7.308 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.195 6.061 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.579 5.613 3.194 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.226 6.236 2.077 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.917 6.614 0.846 1.00 0.00 C ATOM 1144 C GLN A 70 -6.237 7.308 1.165 1.00 0.00 C ATOM 1145 O GLN A 70 -6.570 8.334 0.582 1.00 0.00 O ATOM 1146 CB GLN A 70 -5.177 5.391 -0.041 1.00 0.00 C ATOM 1147 CG GLN A 70 -4.067 5.086 -1.034 1.00 0.00 C ATOM 1148 CD GLN A 70 -3.990 6.115 -2.144 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -3.270 7.104 -2.042 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -4.735 5.884 -3.212 1.00 0.00 N ATOM 0 H GLN A 70 -4.060 5.235 2.177 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.271 7.304 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.326 4.520 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.106 5.547 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.113 5.049 -0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.231 4.099 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.319 5.049 -3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -4.725 6.541 -3.992 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.962 6.747 2.124 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.244 7.301 2.513 1.00 0.00 C ATOM 1161 C GLY A 71 -8.106 8.687 3.110 1.00 0.00 C ATOM 1162 O GLY A 71 -8.852 9.622 2.753 1.00 0.00 O ATOM 0 H GLY A 71 -6.683 5.914 2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.899 7.345 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.720 6.640 3.237 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.129 8.826 4.000 1.00 0.00 N ATOM 1167 CA ALA A 72 -6.876 10.081 4.677 1.00 0.00 C ATOM 1168 C ALA A 72 -6.388 11.120 3.684 1.00 0.00 C ATOM 1169 O ALA A 72 -6.965 12.200 3.565 1.00 0.00 O ATOM 1170 CB ALA A 72 -5.861 9.887 5.793 1.00 0.00 C ATOM 0 H ALA A 72 -6.496 8.072 4.268 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.807 10.435 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.682 10.840 6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.247 9.167 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.926 9.516 5.374 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.312 10.772 2.971 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.718 11.644 1.968 1.00 0.00 C ATOM 1178 C LEU A 73 -5.738 12.155 0.994 1.00 0.00 C ATOM 1179 O LEU A 73 -5.871 13.360 0.826 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.618 10.922 1.195 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.284 10.762 1.910 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.320 9.980 1.036 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.706 12.124 2.253 1.00 0.00 C ATOM 0 H LEU A 73 -4.833 9.878 3.077 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.293 12.490 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.983 9.931 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.444 11.461 0.264 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.441 10.211 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.367 9.869 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.736 8.994 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.164 10.514 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.752 11.996 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.553 12.696 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.397 12.659 2.904 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.471 11.240 0.364 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.438 11.614 -0.647 1.00 0.00 C ATOM 1197 C GLU A 74 -8.424 12.647 -0.142 1.00 0.00 C ATOM 1198 O GLU A 74 -8.657 13.650 -0.802 1.00 0.00 O ATOM 1199 CB GLU A 74 -8.169 10.401 -1.202 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.443 9.714 -2.339 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.403 9.011 -3.267 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -9.190 9.714 -3.947 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -8.398 7.765 -3.314 1.00 0.00 O ATOM 0 H GLU A 74 -6.409 10.237 0.540 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.873 12.070 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.324 9.683 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.155 10.710 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.866 10.449 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.733 8.993 -1.935 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.993 12.407 1.033 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.965 13.337 1.608 1.00 0.00 C ATOM 1212 C ARG A 75 -9.344 14.728 1.776 1.00 0.00 C ATOM 1213 O ARG A 75 -9.966 15.738 1.451 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.452 12.839 2.966 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.621 13.639 3.521 1.00 0.00 C ATOM 1216 CD ARG A 75 -11.805 13.396 5.005 1.00 0.00 C ATOM 1217 NE ARG A 75 -10.743 14.024 5.796 1.00 0.00 N ATOM 1218 CZ ARG A 75 -10.591 13.884 7.116 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -11.415 13.104 7.813 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -9.614 14.528 7.729 1.00 0.00 N ATOM 0 H ARG A 75 -8.802 11.584 1.605 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.812 13.398 0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.747 11.794 2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.626 12.877 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.453 14.701 3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.534 13.367 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.772 13.787 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.817 12.323 5.199 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.071 14.611 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.170 12.607 7.339 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.291 13.003 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.983 15.126 7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.490 14.427 8.736 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.120 14.767 2.266 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.443 16.030 2.522 1.00 0.00 C ATOM 1236 C GLU A 76 -7.026 16.708 1.219 1.00 0.00 C ATOM 1237 O GLU A 76 -7.401 17.852 0.964 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.205 15.808 3.400 1.00 0.00 C ATOM 1239 CG GLU A 76 -6.491 15.147 4.742 1.00 0.00 C ATOM 1240 CD GLU A 76 -7.358 15.991 5.646 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -8.595 15.855 5.586 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -6.805 16.787 6.439 1.00 0.00 O ATOM 0 H GLU A 76 -7.571 13.939 2.496 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.146 16.679 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.492 15.193 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.725 16.770 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.980 14.188 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.547 14.938 5.246 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.250 16.009 0.397 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.753 16.580 -0.847 1.00 0.00 C ATOM 1251 C LEU A 77 -6.857 16.957 -1.823 1.00 0.00 C ATOM 1252 O LEU A 77 -6.684 17.880 -2.610 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.695 15.656 -1.511 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.118 14.217 -1.865 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.984 14.178 -3.111 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.892 13.334 -2.044 1.00 0.00 C ATOM 0 H LEU A 77 -5.953 15.049 0.570 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.264 17.516 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.355 16.140 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.835 15.598 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.714 13.834 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.262 13.147 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.884 14.770 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.428 14.589 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.207 12.321 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.273 13.730 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.317 13.318 -1.118 1.00 0.00 H new ATOM 1268 N LYS A 78 -8.001 16.275 -1.758 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.080 16.534 -2.703 1.00 0.00 C ATOM 1270 C LYS A 78 -9.628 17.941 -2.518 1.00 0.00 C ATOM 1271 O LYS A 78 -10.151 18.547 -3.451 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.200 15.509 -2.552 1.00 0.00 C ATOM 1273 CG LYS A 78 -10.377 14.611 -3.780 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.120 13.808 -4.086 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.266 12.975 -5.353 1.00 0.00 C ATOM 1276 NZ LYS A 78 -10.196 11.827 -5.178 1.00 0.00 N ATOM 0 H LYS A 78 -8.200 15.549 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.670 16.447 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.996 14.885 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.136 16.032 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.211 13.929 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.634 15.224 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.274 14.487 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.896 13.152 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.627 13.610 -6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.287 12.602 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.260 11.293 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.840 11.204 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.139 12.181 -4.918 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.502 18.440 -1.297 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.975 19.765 -0.929 1.00 0.00 C ATOM 1292 C ARG A 79 -9.280 20.848 -1.755 1.00 0.00 C ATOM 1293 O ARG A 79 -9.859 21.902 -2.029 1.00 0.00 O ATOM 1294 CB ARG A 79 -9.718 19.994 0.563 1.00 0.00 C ATOM 1295 CG ARG A 79 -10.070 21.383 1.067 1.00 0.00 C ATOM 1296 CD ARG A 79 -9.621 21.562 2.505 1.00 0.00 C ATOM 1297 NE ARG A 79 -8.174 21.356 2.654 1.00 0.00 N ATOM 1298 CZ ARG A 79 -7.575 20.967 3.785 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -8.293 20.734 4.879 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -6.259 20.806 3.812 1.00 0.00 N ATOM 0 H ARG A 79 -9.065 17.932 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.044 19.825 -1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.290 19.261 1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.664 19.805 0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.596 22.135 0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.146 21.539 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.883 22.564 2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.156 20.859 3.143 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.585 21.521 1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.306 20.852 4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.831 20.438 5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.707 20.979 2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.799 20.509 4.673 1.00 0.00 H new ATOM 1314 N THR A 80 -8.052 20.575 -2.154 1.00 0.00 N ATOM 1315 CA THR A 80 -7.257 21.518 -2.913 1.00 0.00 C ATOM 1316 C THR A 80 -7.841 21.749 -4.309 1.00 0.00 C ATOM 1317 O THR A 80 -8.245 20.802 -5.000 1.00 0.00 O ATOM 1318 CB THR A 80 -5.816 21.017 -3.046 1.00 0.00 C ATOM 1319 OG1 THR A 80 -5.321 20.637 -1.752 1.00 0.00 O ATOM 1320 CG2 THR A 80 -4.914 22.089 -3.632 1.00 0.00 C ATOM 0 H THR A 80 -7.579 19.693 -1.960 1.00 0.00 H new ATOM 0 HA THR A 80 -7.269 22.463 -2.371 1.00 0.00 H new ATOM 0 HB THR A 80 -5.813 20.159 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.585 19.713 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.898 21.704 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.277 22.369 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.919 22.964 -2.982 1.00 0.00 H new ATOM 1328 N ASP A 81 -7.882 23.008 -4.709 1.00 0.00 N ATOM 1329 CA ASP A 81 -8.407 23.378 -6.008 1.00 0.00 C ATOM 1330 C ASP A 81 -7.593 24.496 -6.633 1.00 0.00 C ATOM 1331 O ASP A 81 -6.685 25.049 -6.002 1.00 0.00 O ATOM 1332 CB ASP A 81 -9.889 23.785 -5.917 1.00 0.00 C ATOM 1333 CG ASP A 81 -10.122 25.054 -5.113 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -10.239 24.963 -3.869 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -10.213 26.141 -5.720 1.00 0.00 O ATOM 0 H ASP A 81 -7.555 23.794 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.332 22.499 -6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.281 23.926 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.454 22.970 -5.466 1.00 0.00 H new ATOM 1340 N LEU A 82 -7.928 24.807 -7.877 1.00 0.00 N ATOM 1341 CA LEU A 82 -7.286 25.859 -8.654 1.00 0.00 C ATOM 1342 C LEU A 82 -5.784 25.616 -8.833 1.00 0.00 C ATOM 1343 O LEU A 82 -4.957 26.275 -8.188 1.00 0.00 O ATOM 1344 CB LEU A 82 -7.547 27.245 -8.037 1.00 0.00 C ATOM 1345 CG LEU A 82 -7.725 28.411 -9.027 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -7.950 29.708 -8.282 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -6.529 28.540 -9.957 1.00 0.00 C ATOM 0 H LEU A 82 -8.669 24.325 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.736 25.835 -9.647 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.443 27.181 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.718 27.485 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.602 28.195 -9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.074 30.521 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.847 29.624 -7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.091 29.914 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.689 29.373 -10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.629 28.721 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.411 27.619 -10.527 1.00 0.00 H new ATOM 1359 N ASN A 83 -5.448 24.666 -9.701 1.00 0.00 N ATOM 1360 CA ASN A 83 -4.064 24.386 -10.072 1.00 0.00 C ATOM 1361 C ASN A 83 -4.010 23.211 -11.030 1.00 0.00 C ATOM 1362 O ASN A 83 -4.209 22.057 -10.635 1.00 0.00 O ATOM 1363 CB ASN A 83 -3.194 24.092 -8.863 1.00 0.00 C ATOM 1364 CG ASN A 83 -1.724 24.248 -9.192 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -1.088 23.325 -9.686 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -1.179 25.412 -8.919 1.00 0.00 N ATOM 0 H ASN A 83 -6.129 24.067 -10.168 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.673 25.281 -10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.460 24.766 -8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.385 23.078 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.192 25.572 -9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.743 26.155 -8.508 1.00 0.00 H new ATOM 1373 N ILE A 84 -3.768 23.515 -12.289 1.00 0.00 N ATOM 1374 CA ILE A 84 -3.686 22.502 -13.337 1.00 0.00 C ATOM 1375 C ILE A 84 -2.626 21.432 -13.019 1.00 0.00 C ATOM 1376 O ILE A 84 -2.814 20.244 -13.316 1.00 0.00 O ATOM 1377 CB ILE A 84 -3.388 23.148 -14.710 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -4.474 24.172 -15.049 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -3.298 22.084 -15.801 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -4.197 24.970 -16.300 1.00 0.00 C ATOM 0 H ILE A 84 -3.622 24.468 -12.621 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.658 22.011 -13.380 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.426 23.657 -14.655 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.425 23.652 -15.165 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.586 24.859 -14.210 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.088 22.561 -16.758 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.498 21.384 -15.561 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.244 21.546 -15.864 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.012 25.673 -16.471 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.263 25.519 -16.182 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.115 24.295 -17.152 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.550 21.842 -12.367 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.462 20.935 -12.049 1.00 0.00 C ATOM 1394 C LEU A 85 -0.892 19.981 -10.940 1.00 0.00 C ATOM 1395 O LEU A 85 -0.763 18.761 -11.073 1.00 0.00 O ATOM 1396 CB LEU A 85 0.781 21.753 -11.628 1.00 0.00 C ATOM 1397 CG LEU A 85 2.126 20.996 -11.493 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.187 20.184 -10.207 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.367 20.101 -12.703 1.00 0.00 C ATOM 0 H LEU A 85 -1.408 22.800 -12.047 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.206 20.341 -12.927 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.918 22.554 -12.354 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.564 22.225 -10.670 1.00 0.00 H new ATOM 0 HG LEU A 85 2.918 21.743 -11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.145 19.667 -10.148 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.081 20.850 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.379 19.452 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.317 19.579 -12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.560 19.372 -12.783 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.396 20.710 -13.606 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.420 20.542 -9.857 1.00 0.00 N ATOM 1412 CA GLU A 86 -1.860 19.749 -8.722 1.00 0.00 C ATOM 1413 C GLU A 86 -2.919 18.741 -9.123 1.00 0.00 C ATOM 1414 O GLU A 86 -2.828 17.578 -8.746 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.356 20.640 -7.576 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.269 21.550 -7.011 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.683 22.280 -5.748 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -2.613 23.113 -5.807 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -1.052 22.045 -4.690 1.00 0.00 O ATOM 0 H GLU A 86 -1.553 21.547 -9.744 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.994 19.193 -8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.185 21.252 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.746 20.010 -6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.381 20.954 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.990 22.282 -7.769 1.00 0.00 H new ATOM 1426 N ARG A 87 -3.912 19.160 -9.919 1.00 0.00 N ATOM 1427 CA ARG A 87 -4.965 18.241 -10.329 1.00 0.00 C ATOM 1428 C ARG A 87 -4.400 17.076 -11.144 1.00 0.00 C ATOM 1429 O ARG A 87 -4.827 15.930 -10.987 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.088 18.953 -11.106 1.00 0.00 C ATOM 1431 CG ARG A 87 -5.679 19.498 -12.468 1.00 0.00 C ATOM 1432 CD ARG A 87 -6.859 20.124 -13.194 1.00 0.00 C ATOM 1433 NE ARG A 87 -7.983 19.193 -13.304 1.00 0.00 N ATOM 1434 CZ ARG A 87 -8.751 19.043 -14.385 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -8.525 19.759 -15.485 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -9.744 18.169 -14.360 1.00 0.00 N ATOM 0 H ARG A 87 -4.002 20.109 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.404 17.840 -9.415 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.914 18.255 -11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.464 19.777 -10.499 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.892 20.241 -12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.263 18.693 -13.074 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.179 21.020 -12.662 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.548 20.438 -14.190 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.196 18.614 -12.492 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.758 20.431 -15.507 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.119 19.635 -16.305 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.917 17.617 -13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.337 18.047 -15.181 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.431 17.384 -12.013 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.792 16.375 -12.848 1.00 0.00 C ATOM 1452 C PHE A 88 -1.978 15.410 -11.993 1.00 0.00 C ATOM 1453 O PHE A 88 -2.018 14.197 -12.195 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.900 17.046 -13.902 1.00 0.00 C ATOM 1455 CG PHE A 88 -1.104 16.078 -14.732 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.726 15.278 -15.676 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.266 15.970 -14.566 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.997 14.386 -16.437 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.001 15.081 -15.324 1.00 0.00 C ATOM 1460 CZ PHE A 88 0.368 14.288 -16.262 1.00 0.00 C ATOM 0 H PHE A 88 -3.075 18.330 -12.153 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.567 15.806 -13.361 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.524 17.648 -14.562 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.214 17.730 -13.401 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.794 15.353 -15.819 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.766 16.588 -13.835 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.494 13.766 -17.168 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.069 15.005 -15.184 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.941 13.592 -16.857 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.260 15.960 -11.026 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.457 15.151 -10.119 1.00 0.00 C ATOM 1472 C ASN A 89 -1.349 14.225 -9.309 1.00 0.00 C ATOM 1473 O ASN A 89 -1.025 13.065 -9.106 1.00 0.00 O ATOM 1474 CB ASN A 89 0.403 16.020 -9.199 1.00 0.00 C ATOM 1475 CG ASN A 89 1.702 16.462 -9.852 1.00 0.00 C ATOM 1476 OD1 ASN A 89 2.733 16.645 -9.046 1.00 0.00 O flip ATOM 1477 ND2 ASN A 89 1.779 16.631 -11.068 1.00 0.00 N flip ATOM 0 H ASN A 89 -1.216 16.963 -10.848 1.00 0.00 H new ATOM 0 HA ASN A 89 0.221 14.546 -10.721 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.167 16.900 -8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.630 15.464 -8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 89 0.960 16.479 -11.657 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.662 16.923 -11.487 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.475 14.759 -8.848 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.480 13.967 -8.133 1.00 0.00 C ATOM 1486 C TYR A 90 -3.895 12.767 -8.961 1.00 0.00 C ATOM 1487 O TYR A 90 -3.836 11.628 -8.505 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.715 14.825 -7.859 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.568 15.849 -6.767 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -3.332 16.150 -6.207 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.679 16.516 -6.293 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -3.217 17.085 -5.210 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -5.573 17.450 -5.300 1.00 0.00 C ATOM 1494 CZ TYR A 90 -4.341 17.732 -4.758 1.00 0.00 C ATOM 1495 OH TYR A 90 -4.236 18.659 -3.761 1.00 0.00 O ATOM 0 H TYR A 90 -2.719 15.743 -8.956 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.045 13.626 -7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.989 15.340 -8.780 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.544 14.165 -7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.449 15.640 -6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.649 16.297 -6.714 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.251 17.311 -4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.453 17.964 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.929 18.496 -3.088 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.315 13.044 -10.184 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.756 12.020 -11.112 1.00 0.00 C ATOM 1507 C GLU A 91 -3.654 10.989 -11.380 1.00 0.00 C ATOM 1508 O GLU A 91 -3.911 9.786 -11.423 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.211 12.674 -12.414 1.00 0.00 C ATOM 1510 CG GLU A 91 -5.781 11.695 -13.421 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.282 12.376 -14.665 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -5.470 12.639 -15.569 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -7.494 12.648 -14.752 1.00 0.00 O ATOM 0 H GLU A 91 -4.359 13.991 -10.561 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.594 11.486 -10.663 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.964 13.428 -12.187 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.365 13.194 -12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.014 10.969 -13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.598 11.139 -12.961 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.427 11.475 -11.526 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.283 10.629 -11.840 1.00 0.00 C ATOM 1522 C GLU A 92 -0.923 9.745 -10.650 1.00 0.00 C ATOM 1523 O GLU A 92 -0.712 8.535 -10.802 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.095 11.519 -12.265 1.00 0.00 C ATOM 1525 CG GLU A 92 1.085 10.787 -12.899 1.00 0.00 C ATOM 1526 CD GLU A 92 2.057 10.209 -11.891 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.417 10.918 -10.930 1.00 0.00 O ATOM 1528 OE2 GLU A 92 2.501 9.059 -12.080 1.00 0.00 O ATOM 0 H GLU A 92 -2.198 12.464 -11.430 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.536 9.966 -12.667 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.458 12.265 -12.971 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.264 12.058 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.706 9.981 -13.528 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.620 11.476 -13.552 1.00 0.00 H new ATOM 1535 N ALA A 93 -0.892 10.345 -9.462 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.575 9.617 -8.247 1.00 0.00 C ATOM 1537 C ALA A 93 -1.612 8.535 -8.017 1.00 0.00 C ATOM 1538 O ALA A 93 -1.276 7.381 -7.766 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.514 10.569 -7.056 1.00 0.00 C ATOM 0 H ALA A 93 -1.084 11.337 -9.320 1.00 0.00 H new ATOM 0 HA ALA A 93 0.404 9.150 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.275 10.007 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.256 11.321 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.479 11.060 -6.933 1.00 0.00 H new ATOM 1545 N GLN A 94 -2.886 8.923 -8.141 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.007 8.005 -7.978 1.00 0.00 C ATOM 1547 C GLN A 94 -3.888 6.847 -8.959 1.00 0.00 C ATOM 1548 O GLN A 94 -4.209 5.700 -8.628 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.329 8.749 -8.202 1.00 0.00 C ATOM 1550 CG GLN A 94 -6.582 7.922 -7.925 1.00 0.00 C ATOM 1551 CD GLN A 94 -6.744 7.558 -6.456 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -5.765 7.364 -5.732 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.980 7.471 -6.009 1.00 0.00 N ATOM 0 H GLN A 94 -3.163 9.881 -8.357 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.990 7.607 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.345 9.633 -7.564 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.362 9.100 -9.234 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.459 8.480 -8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.545 7.008 -8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.764 7.639 -6.640 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.154 7.236 -5.032 1.00 0.00 H new ATOM 1562 N THR A 95 -3.421 7.160 -10.168 1.00 0.00 N ATOM 1563 CA THR A 95 -3.208 6.151 -11.187 1.00 0.00 C ATOM 1564 C THR A 95 -2.266 5.064 -10.670 1.00 0.00 C ATOM 1565 O THR A 95 -2.569 3.871 -10.756 1.00 0.00 O ATOM 1566 CB THR A 95 -2.628 6.749 -12.492 1.00 0.00 C ATOM 1567 OG1 THR A 95 -3.533 7.731 -13.030 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.395 5.652 -13.529 1.00 0.00 C ATOM 0 H THR A 95 -3.185 8.109 -10.459 1.00 0.00 H new ATOM 0 HA THR A 95 -4.184 5.722 -11.416 1.00 0.00 H new ATOM 0 HB THR A 95 -1.675 7.222 -12.257 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.810 8.345 -12.318 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.987 6.092 -14.439 1.00 0.00 H new ATOM 0 HG22 THR A 95 -1.691 4.920 -13.133 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.340 5.159 -13.756 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.147 5.476 -10.085 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.179 4.520 -9.590 1.00 0.00 C ATOM 1578 C LEU A 96 -0.687 3.824 -8.342 1.00 0.00 C ATOM 1579 O LEU A 96 -0.506 2.620 -8.184 1.00 0.00 O ATOM 1580 CB LEU A 96 1.171 5.180 -9.318 1.00 0.00 C ATOM 1581 CG LEU A 96 1.889 5.741 -10.545 1.00 0.00 C ATOM 1582 CD1 LEU A 96 3.211 6.364 -10.147 1.00 0.00 C ATOM 1583 CD2 LEU A 96 2.104 4.650 -11.584 1.00 0.00 C ATOM 0 H LEU A 96 -0.895 6.454 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.038 3.771 -10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.022 5.990 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.823 4.449 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 96 1.262 6.516 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.709 6.758 -11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.033 7.174 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.844 5.608 -9.681 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.616 5.068 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.710 3.852 -11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.140 4.247 -11.893 1.00 0.00 H new ATOM 1595 N SER A 97 -1.332 4.590 -7.464 1.00 0.00 N ATOM 1596 CA SER A 97 -1.891 4.054 -6.234 1.00 0.00 C ATOM 1597 C SER A 97 -2.813 2.872 -6.516 1.00 0.00 C ATOM 1598 O SER A 97 -2.655 1.793 -5.939 1.00 0.00 O ATOM 1599 CB SER A 97 -2.638 5.144 -5.473 1.00 0.00 C ATOM 1600 OG SER A 97 -1.775 6.219 -5.145 1.00 0.00 O ATOM 0 H SER A 97 -1.479 5.592 -7.588 1.00 0.00 H new ATOM 0 HA SER A 97 -1.067 3.696 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.468 5.511 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.067 4.727 -4.562 1.00 0.00 H new ATOM 0 HG SER A 97 -1.552 6.720 -5.958 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.780 3.083 -7.419 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.726 2.039 -7.791 1.00 0.00 C ATOM 1608 C LYS A 98 -4.018 0.839 -8.396 1.00 0.00 C ATOM 1609 O LYS A 98 -4.361 -0.308 -8.091 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.768 2.575 -8.769 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.740 3.558 -8.150 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.789 3.996 -9.156 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.853 4.858 -8.502 1.00 0.00 C ATOM 1614 NZ LYS A 98 -9.575 4.129 -7.428 1.00 0.00 N ATOM 0 H LYS A 98 -3.922 3.970 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.229 1.716 -6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.256 3.059 -9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.328 1.737 -9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.226 3.100 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.197 4.429 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.312 4.552 -9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.254 3.119 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.390 5.752 -8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.565 5.190 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.485 4.597 -7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.746 3.148 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.001 4.130 -6.561 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.033 1.097 -9.253 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.265 0.024 -9.863 1.00 0.00 C ATOM 1630 C ILE A 99 -1.566 -0.817 -8.786 1.00 0.00 C ATOM 1631 O ILE A 99 -1.579 -2.049 -8.841 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.236 0.562 -10.917 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -1.861 0.583 -12.329 1.00 0.00 C ATOM 1634 CG2 ILE A 99 0.048 -0.268 -10.926 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -3.146 1.379 -12.441 1.00 0.00 C ATOM 0 H ILE A 99 -2.752 2.035 -9.537 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.964 -0.615 -10.402 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.978 1.581 -10.627 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.133 0.994 -13.028 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.057 -0.443 -12.640 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.737 0.135 -11.669 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.513 -0.229 -9.941 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.189 -1.302 -11.175 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.512 1.337 -13.467 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.895 0.957 -11.771 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.957 2.416 -12.165 1.00 0.00 H new ATOM 1647 N LEU A 100 -0.997 -0.134 -7.792 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.311 -0.796 -6.687 1.00 0.00 C ATOM 1649 C LEU A 100 -1.274 -1.647 -5.873 1.00 0.00 C ATOM 1650 O LEU A 100 -0.986 -2.800 -5.558 1.00 0.00 O ATOM 1651 CB LEU A 100 0.375 0.230 -5.780 1.00 0.00 C ATOM 1652 CG LEU A 100 1.493 1.051 -6.429 1.00 0.00 C ATOM 1653 CD1 LEU A 100 2.038 2.069 -5.446 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.607 0.142 -6.929 1.00 0.00 C ATOM 0 H LEU A 100 -0.999 0.884 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 100 0.448 -1.450 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.382 0.917 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.788 -0.294 -4.918 1.00 0.00 H new ATOM 0 HG LEU A 100 1.077 1.583 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.832 2.645 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.237 2.741 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.437 1.554 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.391 0.745 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.023 -0.419 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.206 -0.552 -7.667 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.429 -1.064 -5.541 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.462 -1.758 -4.778 1.00 0.00 C ATOM 1668 C LEU A 101 -3.912 -3.007 -5.513 1.00 0.00 C ATOM 1669 O LEU A 101 -4.076 -4.072 -4.905 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.662 -0.833 -4.535 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.395 0.393 -3.658 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.637 1.264 -3.566 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.942 -0.038 -2.272 1.00 0.00 C ATOM 0 H LEU A 101 -2.670 -0.105 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.041 -2.047 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.033 -0.491 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.459 -1.417 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.599 0.980 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.428 2.131 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.922 1.598 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.453 0.689 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.756 0.844 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.719 -0.645 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.026 -0.623 -2.354 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.117 -2.876 -6.817 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.467 -4.006 -7.657 1.00 0.00 C ATOM 1687 C LYS A 102 -3.397 -5.086 -7.548 1.00 0.00 C ATOM 1688 O LYS A 102 -3.700 -6.240 -7.251 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.600 -3.544 -9.111 1.00 0.00 C ATOM 1690 CG LYS A 102 -4.818 -4.667 -10.109 1.00 0.00 C ATOM 1691 CD LYS A 102 -4.950 -4.133 -11.529 1.00 0.00 C ATOM 1692 CE LYS A 102 -3.698 -3.376 -11.982 1.00 0.00 C ATOM 1693 NZ LYS A 102 -2.479 -4.229 -11.965 1.00 0.00 N ATOM 0 H LYS A 102 -4.045 -1.989 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.419 -4.420 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.433 -2.844 -9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.699 -2.997 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.984 -5.367 -10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.717 -5.222 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.138 -4.962 -12.211 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.814 -3.471 -11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.855 -2.992 -12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.544 -2.514 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.922 -4.056 -12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.905 -3.997 -11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.757 -5.231 -11.928 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.150 -4.704 -7.779 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.030 -5.639 -7.710 1.00 0.00 C ATOM 1709 C ASP A 103 -0.938 -6.331 -6.352 1.00 0.00 C ATOM 1710 O ASP A 103 -0.592 -7.521 -6.286 1.00 0.00 O ATOM 1711 CB ASP A 103 0.286 -4.943 -8.055 1.00 0.00 C ATOM 1712 CG ASP A 103 0.501 -4.826 -9.551 1.00 0.00 C ATOM 1713 OD1 ASP A 103 -0.463 -4.491 -10.278 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.629 -5.077 -10.015 1.00 0.00 O ATOM 0 H ASP A 103 -1.884 -3.748 -8.017 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.217 -6.414 -8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.296 -3.948 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.114 -5.497 -7.614 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.245 -5.620 -5.265 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.242 -6.233 -3.941 1.00 0.00 C ATOM 1721 C LEU A 104 -2.289 -7.339 -3.872 1.00 0.00 C ATOM 1722 O LEU A 104 -1.999 -8.463 -3.458 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.529 -5.181 -2.859 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.486 -4.074 -2.706 1.00 0.00 C ATOM 1725 CD1 LEU A 104 -0.950 -3.045 -1.688 1.00 0.00 C ATOM 1726 CD2 LEU A 104 0.851 -4.659 -2.293 1.00 0.00 C ATOM 0 H LEU A 104 -1.496 -4.631 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.255 -6.661 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.492 -4.718 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.630 -5.692 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.365 -3.579 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.196 -2.264 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.890 -2.603 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.097 -3.529 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.582 -3.857 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.743 -5.178 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.190 -5.363 -3.053 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.513 -7.007 -4.279 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.610 -7.971 -4.287 1.00 0.00 C ATOM 1740 C LYS A 105 -4.325 -9.130 -5.239 1.00 0.00 C ATOM 1741 O LYS A 105 -4.737 -10.262 -4.987 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.944 -7.294 -4.625 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.734 -6.767 -3.408 1.00 0.00 C ATOM 1744 CD LYS A 105 -5.980 -5.697 -2.613 1.00 0.00 C ATOM 1745 CE LYS A 105 -5.158 -6.295 -1.464 1.00 0.00 C ATOM 1746 NZ LYS A 105 -6.014 -6.952 -0.436 1.00 0.00 N ATOM 0 H LYS A 105 -3.769 -6.076 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.692 -8.382 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.751 -6.462 -5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.569 -8.005 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.683 -6.354 -3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.970 -7.602 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.318 -5.149 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.693 -4.977 -2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.453 -7.023 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.569 -5.507 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.727 -6.632 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.009 -6.699 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.904 -7.984 -0.501 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.597 -8.852 -6.323 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.195 -9.896 -7.258 1.00 0.00 C ATOM 1762 C GLU A 106 -2.311 -10.899 -6.548 1.00 0.00 C ATOM 1763 O GLU A 106 -2.454 -12.106 -6.725 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.428 -9.305 -8.446 1.00 0.00 C ATOM 1765 CG GLU A 106 -3.302 -8.793 -9.573 1.00 0.00 C ATOM 1766 CD GLU A 106 -4.104 -9.896 -10.228 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -3.512 -10.688 -10.997 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -5.314 -9.984 -9.982 1.00 0.00 O ATOM 0 H GLU A 106 -3.277 -7.916 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.095 -10.385 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.805 -8.486 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.757 -10.067 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.982 -8.034 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.677 -8.308 -10.323 1.00 0.00 H new ATOM 1775 N THR A 107 -1.405 -10.380 -5.744 1.00 0.00 N ATOM 1776 CA THR A 107 -0.495 -11.199 -4.974 1.00 0.00 C ATOM 1777 C THR A 107 -1.284 -12.034 -3.963 1.00 0.00 C ATOM 1778 O THR A 107 -1.095 -13.248 -3.864 1.00 0.00 O ATOM 1779 CB THR A 107 0.545 -10.323 -4.240 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.199 -9.464 -5.187 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.589 -11.185 -3.535 1.00 0.00 C ATOM 0 H THR A 107 -1.280 -9.377 -5.607 1.00 0.00 H new ATOM 0 HA THR A 107 0.038 -11.862 -5.655 1.00 0.00 H new ATOM 0 HB THR A 107 0.025 -9.728 -3.490 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.571 -8.776 -5.493 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.308 -10.543 -3.027 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.097 -11.828 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.108 -11.801 -4.269 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.177 -11.368 -3.235 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.061 -12.009 -2.260 1.00 0.00 C ATOM 1791 C GLU A 108 -3.809 -13.197 -2.883 1.00 0.00 C ATOM 1792 O GLU A 108 -3.768 -14.306 -2.363 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.062 -10.972 -1.740 1.00 0.00 C ATOM 1794 CG GLU A 108 -5.033 -11.501 -0.703 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.199 -10.565 -0.476 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -6.034 -9.561 0.233 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.289 -10.830 -1.023 1.00 0.00 O ATOM 0 H GLU A 108 -2.310 -10.359 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.458 -12.392 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.510 -10.137 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.629 -10.578 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.408 -12.473 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.506 -11.656 0.239 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.486 -12.954 -3.995 1.00 0.00 N ATOM 1805 CA GLN A 109 -5.230 -14.007 -4.679 1.00 0.00 C ATOM 1806 C GLN A 109 -4.321 -15.193 -5.029 1.00 0.00 C ATOM 1807 O GLN A 109 -4.708 -16.345 -4.880 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.888 -13.463 -5.951 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.821 -14.457 -6.618 1.00 0.00 C ATOM 1810 CD GLN A 109 -7.351 -13.966 -7.952 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -7.527 -12.770 -8.167 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.602 -14.890 -8.858 1.00 0.00 N ATOM 0 H GLN A 109 -4.537 -12.040 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.006 -14.358 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.447 -12.560 -5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.111 -13.174 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -6.294 -15.399 -6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.660 -14.663 -5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.443 -15.874 -8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.956 -14.621 -9.776 1.00 0.00 H new ATOM 1821 N LYS A 110 -3.102 -14.890 -5.463 1.00 0.00 N ATOM 1822 CA LYS A 110 -2.147 -15.921 -5.871 1.00 0.00 C ATOM 1823 C LYS A 110 -1.652 -16.757 -4.689 1.00 0.00 C ATOM 1824 O LYS A 110 -1.546 -17.983 -4.788 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.979 -15.293 -6.626 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.382 -14.720 -7.973 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.354 -13.739 -8.505 1.00 0.00 C ATOM 1828 CE LYS A 110 -0.876 -13.025 -9.742 1.00 0.00 C ATOM 1829 NZ LYS A 110 -2.264 -12.545 -9.547 1.00 0.00 N ATOM 0 H LYS A 110 -2.749 -13.936 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.671 -16.605 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.543 -14.501 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.204 -16.044 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.512 -15.532 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.346 -14.220 -7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.110 -13.008 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.568 -14.268 -8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.228 -12.181 -9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.840 -13.701 -10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.412 -11.678 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.932 -13.277 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.423 -12.343 -8.539 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.351 -16.097 -3.570 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.885 -16.808 -2.390 1.00 0.00 C ATOM 1845 C VAL A 111 -2.001 -17.692 -1.834 1.00 0.00 C ATOM 1846 O VAL A 111 -1.759 -18.809 -1.389 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.337 -15.850 -1.284 1.00 0.00 C ATOM 1848 CG1 VAL A 111 0.841 -15.047 -1.797 1.00 0.00 C ATOM 1849 CG2 VAL A 111 -1.408 -14.924 -0.748 1.00 0.00 C ATOM 0 H VAL A 111 -1.422 -15.085 -3.461 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.049 -17.434 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.003 -16.479 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.204 -14.388 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.639 -15.725 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.529 -14.449 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.980 -14.277 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.801 -14.313 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.216 -15.514 -0.315 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.229 -17.182 -1.885 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.402 -17.936 -1.465 1.00 0.00 C ATOM 1861 C LYS A 112 -4.613 -19.141 -2.374 1.00 0.00 C ATOM 1862 O LYS A 112 -5.041 -20.205 -1.929 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.646 -17.047 -1.522 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.667 -15.917 -0.501 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.671 -14.822 -0.884 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.127 -15.176 -0.561 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.585 -16.443 -1.190 1.00 0.00 N ATOM 0 H LYS A 112 -3.436 -16.240 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.240 -18.278 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.724 -16.618 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.528 -17.670 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.923 -16.318 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.670 -15.483 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.407 -13.902 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.584 -14.620 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.242 -15.255 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.772 -14.362 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.617 -16.414 -1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.125 -16.557 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.334 -17.245 -0.577 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.308 -18.961 -3.648 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.502 -20.010 -4.635 1.00 0.00 C ATOM 1883 C ASP A 113 -3.462 -21.110 -4.532 1.00 0.00 C ATOM 1884 O ASP A 113 -3.703 -22.239 -4.959 1.00 0.00 O ATOM 1885 CB ASP A 113 -4.535 -19.444 -6.058 1.00 0.00 C ATOM 1886 CG ASP A 113 -5.927 -19.482 -6.661 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -6.433 -20.594 -6.935 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -6.529 -18.408 -6.855 1.00 0.00 O ATOM 0 H ASP A 113 -3.923 -18.094 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.472 -20.456 -4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.175 -18.415 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.852 -20.013 -6.689 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.302 -20.801 -3.957 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.234 -21.772 -3.823 1.00 0.00 C ATOM 1895 C ILE A 114 -1.544 -22.785 -2.721 1.00 0.00 C ATOM 1896 O ILE A 114 -2.161 -22.455 -1.698 1.00 0.00 O ATOM 1897 CB ILE A 114 0.120 -21.044 -3.530 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.098 -21.261 -4.673 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.741 -21.465 -2.203 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.641 -20.656 -5.979 1.00 0.00 C ATOM 0 H ILE A 114 -2.083 -19.880 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.148 -22.317 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.103 -19.980 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.063 -20.833 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.251 -22.331 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.678 -20.928 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.054 -21.231 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.936 -22.537 -2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.387 -20.849 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.309 -21.101 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.515 -19.580 -5.857 1.00 0.00 H new ATOM 1912 N GLN A 115 -1.162 -24.030 -2.973 1.00 0.00 N ATOM 1913 CA GLN A 115 -1.319 -25.114 -2.023 1.00 0.00 C ATOM 1914 C GLN A 115 -0.390 -24.931 -0.810 1.00 0.00 C ATOM 1915 O GLN A 115 0.605 -24.220 -0.872 1.00 0.00 O ATOM 1916 CB GLN A 115 -1.028 -26.444 -2.751 1.00 0.00 C ATOM 1917 CG GLN A 115 -1.158 -27.686 -1.871 1.00 0.00 C ATOM 1918 CD GLN A 115 -0.814 -28.972 -2.592 1.00 0.00 C ATOM 1919 OE1 GLN A 115 0.011 -28.987 -3.508 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -1.441 -30.056 -2.190 1.00 0.00 N ATOM 0 H GLN A 115 -0.731 -24.315 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.339 -25.120 -1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -1.711 -26.539 -3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.018 -26.407 -3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.506 -27.578 -1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -2.179 -27.751 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -2.117 -30.001 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -1.251 -30.951 -2.640 1.00 0.00 H new ATOM 1929 N THR A 116 -0.715 -25.634 0.246 1.00 0.00 N ATOM 1930 CA THR A 116 0.009 -25.540 1.500 1.00 0.00 C ATOM 1931 C THR A 116 -0.097 -26.820 2.290 1.00 0.00 C ATOM 1932 O THR A 116 -1.147 -27.463 2.304 1.00 0.00 O ATOM 1933 CB THR A 116 -0.433 -24.352 2.370 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.866 -24.228 2.361 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.209 -23.066 1.870 1.00 0.00 C ATOM 0 H THR A 116 -1.493 -26.293 0.265 1.00 0.00 H new ATOM 0 HA THR A 116 1.050 -25.369 1.226 1.00 0.00 H new ATOM 0 HB THR A 116 -0.107 -24.532 3.394 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.132 -23.469 2.920 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.112 -22.232 2.495 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.294 -23.158 1.918 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.094 -22.885 0.839 1.00 0.00 H new ATOM 1943 N GLN A 117 0.987 -27.205 2.922 1.00 0.00 N ATOM 1944 CA GLN A 117 1.030 -28.436 3.680 1.00 0.00 C ATOM 1945 C GLN A 117 0.677 -28.210 5.148 1.00 0.00 C ATOM 1946 O GLN A 117 1.584 -28.254 5.993 1.00 0.00 O ATOM 1947 CB GLN A 117 2.418 -29.048 3.547 1.00 0.00 C ATOM 1948 CG GLN A 117 2.830 -29.288 2.098 1.00 0.00 C ATOM 1949 CD GLN A 117 4.289 -29.665 1.951 1.00 0.00 C ATOM 1950 OE1 GLN A 117 5.125 -29.265 2.752 1.00 0.00 O ATOM 1951 NE2 GLN A 117 4.601 -30.429 0.922 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.517 -27.983 5.447 1.00 0.00 O ATOM 0 H GLN A 117 1.860 -26.678 2.926 1.00 0.00 H new ATOM 0 HA GLN A 117 0.284 -29.121 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 117 3.146 -28.389 4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 117 2.445 -29.994 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 117 2.212 -30.081 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 117 2.633 -28.387 1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 117 3.873 -30.740 0.279 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.570 -30.709 0.770 1.00 0.00 H new TER 1961 GLN A 117