USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HD1:sc= -1.44 K(o=-1.7,f=-3.7!) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.291 K(o=-1.7,f=-3.4!) USER MOD Set 2.1: A 9 MET CE :methyl -147:sc= -2.04 (180deg=-0.102) USER MOD Set 2.2: A 69 MET CE :methyl -142:sc= -1.48 (180deg=-0.58) USER MOD Set 3.1: A 3 ASN : amide:sc= -1.01 K(o=-1.8,f=-6.2!) USER MOD Set 3.2: A 37 HIS : no HD1:sc= -0.773 K(o=-1.8,f=-3.4) USER MOD Single : A 2 MET CE :methyl 149:sc= -0.496 (180deg=-2.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.99 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0335) USER MOD Single : A 8 GLN : amide:sc= -0.069 K(o=-0.069,f=-3.3!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00773 X(o=-0.0077,f=-0.33) USER MOD Single : A 55 THR OG1 : rot -16:sc= -1! USER MOD Single : A 57 ASN : amide:sc= -0.861 K(o=-0.86,f=-7.2!) USER MOD Single : A 63 SER OG : rot -101:sc= 0.0886 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-5!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 171:sc= -0.879 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= -0.528 (180deg=-0.781) USER MOD Single : A 83 GLN : amide:sc= -1.99 K(o=-2,f=-4.1!) USER MOD Single : A 85 ASN : amide:sc= -0.0822 K(o=-0.082,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -30.790 -16.318 -14.517 1.00 0.00 N ATOM 18 CA MET A 2 -29.707 -16.800 -15.367 1.00 0.00 C ATOM 19 C MET A 2 -30.019 -18.191 -15.909 1.00 0.00 C ATOM 20 O MET A 2 -30.499 -19.060 -15.181 1.00 0.00 O ATOM 21 CB MET A 2 -28.392 -16.828 -14.587 1.00 0.00 C ATOM 22 CG MET A 2 -27.205 -17.300 -15.413 1.00 0.00 C ATOM 23 SD MET A 2 -26.078 -18.347 -14.472 1.00 0.00 S ATOM 24 CE MET A 2 -27.200 -19.613 -13.884 1.00 0.00 C ATOM 0 HA MET A 2 -29.608 -16.115 -16.209 1.00 0.00 H new ATOM 0 HB2 MET A 2 -28.184 -15.828 -14.205 1.00 0.00 H new ATOM 0 HB3 MET A 2 -28.506 -17.482 -13.722 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.567 -17.851 -16.281 1.00 0.00 H new ATOM 0 HG3 MET A 2 -26.661 -16.433 -15.789 1.00 0.00 H new ATOM 0 HE1 MET A 2 -26.664 -20.557 -13.787 1.00 0.00 H new ATOM 0 HE2 MET A 2 -27.601 -19.321 -12.913 1.00 0.00 H new ATOM 0 HE3 MET A 2 -28.019 -19.732 -14.594 1.00 0.00 H new ATOM 34 N ASN A 3 -29.746 -18.394 -17.193 1.00 0.00 N ATOM 35 CA ASN A 3 -30.002 -19.680 -17.833 1.00 0.00 C ATOM 36 C ASN A 3 -28.763 -20.195 -18.556 1.00 0.00 C ATOM 37 O ASN A 3 -28.474 -19.791 -19.682 1.00 0.00 O ATOM 38 CB ASN A 3 -31.167 -19.560 -18.817 1.00 0.00 C ATOM 39 CG ASN A 3 -31.652 -20.911 -19.304 1.00 0.00 C ATOM 40 OD1 ASN A 3 -30.867 -21.849 -19.451 1.00 0.00 O ATOM 41 ND2 ASN A 3 -32.951 -21.018 -19.559 1.00 0.00 N ATOM 0 H ASN A 3 -29.348 -17.686 -17.811 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.263 -20.395 -17.053 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.991 -19.032 -18.338 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.857 -18.958 -19.671 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -33.334 -21.903 -19.891 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -33.565 -20.215 -19.423 1.00 0.00 H new ATOM 48 N ILE A 4 -28.040 -21.099 -17.903 1.00 0.00 N ATOM 49 CA ILE A 4 -26.838 -21.686 -18.484 1.00 0.00 C ATOM 50 C ILE A 4 -27.111 -23.114 -18.944 1.00 0.00 C ATOM 51 O ILE A 4 -27.655 -23.923 -18.191 1.00 0.00 O ATOM 52 CB ILE A 4 -25.662 -21.688 -17.485 1.00 0.00 C ATOM 53 CG1 ILE A 4 -26.079 -22.337 -16.161 1.00 0.00 C ATOM 54 CG2 ILE A 4 -25.163 -20.269 -17.249 1.00 0.00 C ATOM 55 CD1 ILE A 4 -24.972 -22.372 -15.129 1.00 0.00 C ATOM 0 H ILE A 4 -28.266 -21.442 -16.969 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.561 -21.070 -19.340 1.00 0.00 H new ATOM 0 HB ILE A 4 -24.849 -22.275 -17.913 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -26.930 -21.793 -15.751 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.416 -23.355 -16.355 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.334 -20.288 -16.542 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.826 -19.840 -18.193 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.972 -19.662 -16.843 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.339 -22.845 -14.218 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -24.129 -22.942 -15.519 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.650 -21.355 -14.906 1.00 0.00 H new ATOM 67 N THR A 5 -26.738 -23.420 -20.184 1.00 0.00 N ATOM 68 CA THR A 5 -26.953 -24.753 -20.736 1.00 0.00 C ATOM 69 C THR A 5 -25.694 -25.271 -21.423 1.00 0.00 C ATOM 70 O THR A 5 -24.729 -24.531 -21.615 1.00 0.00 O ATOM 71 CB THR A 5 -28.116 -24.735 -21.729 1.00 0.00 C ATOM 72 OG1 THR A 5 -28.081 -23.561 -22.521 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.473 -24.800 -21.063 1.00 0.00 C ATOM 0 H THR A 5 -26.287 -22.765 -20.823 1.00 0.00 H new ATOM 0 HA THR A 5 -27.196 -25.423 -19.911 1.00 0.00 H new ATOM 0 HB THR A 5 -27.987 -25.628 -22.341 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.832 -23.569 -23.151 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.253 -24.783 -21.824 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.550 -25.720 -20.484 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.594 -23.943 -20.400 1.00 0.00 H new ATOM 81 N SER A 6 -25.708 -26.552 -21.779 1.00 0.00 N ATOM 82 CA SER A 6 -24.572 -27.188 -22.433 1.00 0.00 C ATOM 83 C SER A 6 -25.004 -28.493 -23.094 1.00 0.00 C ATOM 84 O SER A 6 -25.755 -29.277 -22.512 1.00 0.00 O ATOM 85 CB SER A 6 -23.464 -27.463 -21.416 1.00 0.00 C ATOM 86 OG SER A 6 -23.752 -28.617 -20.646 1.00 0.00 O ATOM 0 H SER A 6 -26.502 -27.174 -21.623 1.00 0.00 H new ATOM 0 HA SER A 6 -24.191 -26.513 -23.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.515 -27.596 -21.935 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.349 -26.602 -20.757 1.00 0.00 H new ATOM 0 HG SER A 6 -23.027 -28.772 -20.005 1.00 0.00 H new ATOM 92 N LYS A 7 -24.527 -28.718 -24.314 1.00 0.00 N ATOM 93 CA LYS A 7 -24.867 -29.926 -25.058 1.00 0.00 C ATOM 94 C LYS A 7 -23.733 -30.943 -24.994 1.00 0.00 C ATOM 95 O LYS A 7 -23.457 -31.646 -25.966 1.00 0.00 O ATOM 96 CB LYS A 7 -25.178 -29.581 -26.516 1.00 0.00 C ATOM 97 CG LYS A 7 -26.088 -28.373 -26.673 1.00 0.00 C ATOM 98 CD LYS A 7 -27.133 -28.597 -27.754 1.00 0.00 C ATOM 99 CE LYS A 7 -26.611 -28.197 -29.125 1.00 0.00 C ATOM 100 NZ LYS A 7 -25.816 -29.287 -29.756 1.00 0.00 N ATOM 0 H LYS A 7 -23.904 -28.080 -24.809 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.752 -30.368 -24.600 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.243 -29.393 -27.044 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.645 -30.442 -26.993 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.583 -28.164 -25.725 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -25.490 -27.496 -26.920 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -27.425 -29.647 -27.767 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -28.028 -28.020 -27.522 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -27.450 -27.938 -29.771 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -25.993 -27.304 -29.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -25.564 -29.015 -30.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -24.948 -29.447 -29.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -26.380 -30.161 -29.776 1.00 0.00 H new ATOM 114 N GLN A 8 -23.083 -31.017 -23.838 1.00 0.00 N ATOM 115 CA GLN A 8 -21.988 -31.945 -23.632 1.00 0.00 C ATOM 116 C GLN A 8 -22.049 -32.544 -22.231 1.00 0.00 C ATOM 117 O GLN A 8 -21.961 -33.760 -22.059 1.00 0.00 O ATOM 118 CB GLN A 8 -20.644 -31.244 -23.851 1.00 0.00 C ATOM 119 CG GLN A 8 -19.876 -31.764 -25.055 1.00 0.00 C ATOM 120 CD GLN A 8 -20.180 -30.986 -26.320 1.00 0.00 C ATOM 121 OE1 GLN A 8 -21.120 -30.194 -26.365 1.00 0.00 O ATOM 122 NE2 GLN A 8 -19.382 -31.208 -27.358 1.00 0.00 N ATOM 0 H GLN A 8 -23.301 -30.439 -23.026 1.00 0.00 H new ATOM 0 HA GLN A 8 -22.082 -32.753 -24.358 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.817 -30.175 -23.975 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.030 -31.366 -22.959 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.807 -31.713 -24.849 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -20.120 -32.815 -25.211 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.614 -31.874 -27.277 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.538 -30.713 -28.236 1.00 0.00 H new ATOM 131 N MET A 9 -22.204 -31.679 -21.235 1.00 0.00 N ATOM 132 CA MET A 9 -22.283 -32.115 -19.845 1.00 0.00 C ATOM 133 C MET A 9 -23.580 -31.633 -19.206 1.00 0.00 C ATOM 134 O MET A 9 -24.342 -30.879 -19.813 1.00 0.00 O ATOM 135 CB MET A 9 -21.085 -31.588 -19.049 1.00 0.00 C ATOM 136 CG MET A 9 -19.807 -31.471 -19.866 1.00 0.00 C ATOM 137 SD MET A 9 -19.673 -29.889 -20.722 1.00 0.00 S ATOM 138 CE MET A 9 -18.094 -29.308 -20.108 1.00 0.00 C ATOM 0 H MET A 9 -22.278 -30.670 -21.364 1.00 0.00 H new ATOM 0 HA MET A 9 -22.266 -33.205 -19.829 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.335 -30.609 -18.641 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.904 -32.250 -18.202 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.947 -31.598 -19.208 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.772 -32.279 -20.596 1.00 0.00 H new ATOM 0 HE1 MET A 9 -18.112 -28.221 -20.029 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.904 -29.740 -19.125 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.303 -29.609 -20.795 1.00 0.00 H new ATOM 148 N GLU A 10 -23.825 -32.066 -17.974 1.00 0.00 N ATOM 149 CA GLU A 10 -25.029 -31.672 -17.252 1.00 0.00 C ATOM 150 C GLU A 10 -24.753 -30.454 -16.377 1.00 0.00 C ATOM 151 O GLU A 10 -23.599 -30.100 -16.139 1.00 0.00 O ATOM 152 CB GLU A 10 -25.536 -32.830 -16.392 1.00 0.00 C ATOM 153 CG GLU A 10 -24.471 -33.425 -15.483 1.00 0.00 C ATOM 154 CD GLU A 10 -23.954 -34.759 -15.985 1.00 0.00 C ATOM 155 OE1 GLU A 10 -23.327 -34.784 -17.065 1.00 0.00 O ATOM 156 OE2 GLU A 10 -24.176 -35.778 -15.299 1.00 0.00 O ATOM 0 H GLU A 10 -23.206 -32.689 -17.455 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.797 -31.412 -17.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.369 -32.481 -15.782 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.924 -33.613 -17.044 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.639 -32.726 -15.398 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.883 -33.553 -14.482 1.00 0.00 H new ATOM 163 N ILE A 11 -25.816 -29.809 -15.906 1.00 0.00 N ATOM 164 CA ILE A 11 -25.678 -28.627 -15.069 1.00 0.00 C ATOM 165 C ILE A 11 -25.636 -29.005 -13.594 1.00 0.00 C ATOM 166 O ILE A 11 -26.615 -29.504 -13.039 1.00 0.00 O ATOM 167 CB ILE A 11 -26.839 -27.645 -15.303 1.00 0.00 C ATOM 168 CG1 ILE A 11 -27.157 -27.553 -16.799 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.502 -26.275 -14.731 1.00 0.00 C ATOM 170 CD1 ILE A 11 -26.162 -26.723 -17.583 1.00 0.00 C ATOM 0 H ILE A 11 -26.780 -30.086 -16.091 1.00 0.00 H new ATOM 0 HA ILE A 11 -24.740 -28.145 -15.344 1.00 0.00 H new ATOM 0 HB ILE A 11 -27.724 -28.016 -14.786 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -27.187 -28.559 -17.218 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -28.152 -27.126 -16.924 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.334 -25.593 -14.905 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.323 -26.362 -13.659 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.607 -25.887 -15.218 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.452 -26.703 -18.633 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.148 -25.706 -17.191 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -25.169 -27.161 -17.489 1.00 0.00 H new ATOM 182 N THR A 12 -24.491 -28.761 -12.970 1.00 0.00 N ATOM 183 CA THR A 12 -24.306 -29.070 -11.557 1.00 0.00 C ATOM 184 C THR A 12 -24.474 -27.820 -10.697 1.00 0.00 C ATOM 185 O THR A 12 -24.169 -26.711 -11.138 1.00 0.00 O ATOM 186 CB THR A 12 -22.921 -29.676 -11.324 1.00 0.00 C ATOM 187 OG1 THR A 12 -21.923 -28.670 -11.343 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.541 -30.719 -12.352 1.00 0.00 C ATOM 0 H THR A 12 -23.674 -28.349 -13.421 1.00 0.00 H new ATOM 0 HA THR A 12 -25.068 -29.794 -11.268 1.00 0.00 H new ATOM 0 HB THR A 12 -22.979 -30.157 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.045 -29.077 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.548 -31.107 -12.127 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.263 -31.535 -12.327 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.538 -30.268 -13.344 1.00 0.00 H new ATOM 196 N PRO A 13 -24.941 -27.981 -9.447 1.00 0.00 N ATOM 197 CA PRO A 13 -25.119 -26.855 -8.526 1.00 0.00 C ATOM 198 C PRO A 13 -23.821 -26.085 -8.318 1.00 0.00 C ATOM 199 O PRO A 13 -23.837 -24.930 -7.892 1.00 0.00 O ATOM 200 CB PRO A 13 -25.572 -27.516 -7.219 1.00 0.00 C ATOM 201 CG PRO A 13 -26.107 -28.847 -7.625 1.00 0.00 C ATOM 202 CD PRO A 13 -25.309 -29.265 -8.827 1.00 0.00 C ATOM 0 HA PRO A 13 -25.833 -26.124 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.741 -27.621 -6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.335 -26.920 -6.719 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -26.004 -29.572 -6.817 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -27.169 -28.784 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.429 -29.843 -8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.895 -29.886 -9.504 1.00 0.00 H new ATOM 210 N ALA A 14 -22.698 -26.722 -8.634 1.00 0.00 N ATOM 211 CA ALA A 14 -21.401 -26.081 -8.492 1.00 0.00 C ATOM 212 C ALA A 14 -21.171 -25.100 -9.631 1.00 0.00 C ATOM 213 O ALA A 14 -20.700 -23.983 -9.422 1.00 0.00 O ATOM 214 CB ALA A 14 -20.295 -27.123 -8.454 1.00 0.00 C ATOM 0 H ALA A 14 -22.662 -27.678 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.386 -25.530 -7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.331 -26.626 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.454 -27.792 -7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.306 -27.699 -9.379 1.00 0.00 H new ATOM 220 N ILE A 15 -21.531 -25.527 -10.838 1.00 0.00 N ATOM 221 CA ILE A 15 -21.391 -24.688 -12.015 1.00 0.00 C ATOM 222 C ILE A 15 -22.440 -23.590 -11.981 1.00 0.00 C ATOM 223 O ILE A 15 -22.231 -22.492 -12.499 1.00 0.00 O ATOM 224 CB ILE A 15 -21.539 -25.505 -13.315 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.512 -26.638 -13.351 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.381 -24.605 -14.533 1.00 0.00 C ATOM 227 CD1 ILE A 15 -20.910 -27.786 -14.251 1.00 0.00 C ATOM 0 H ILE A 15 -21.922 -26.451 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.392 -24.253 -12.004 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.538 -25.941 -13.337 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.555 -26.239 -13.686 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.363 -27.015 -12.339 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.488 -25.199 -15.441 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -22.147 -23.829 -14.514 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.395 -24.142 -14.517 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.135 -28.552 -14.227 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -21.852 -28.211 -13.904 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -21.030 -27.423 -15.272 1.00 0.00 H new ATOM 239 N ARG A 16 -23.567 -23.891 -11.339 1.00 0.00 N ATOM 240 CA ARG A 16 -24.645 -22.929 -11.203 1.00 0.00 C ATOM 241 C ARG A 16 -24.269 -21.884 -10.161 1.00 0.00 C ATOM 242 O ARG A 16 -24.429 -20.686 -10.381 1.00 0.00 O ATOM 243 CB ARG A 16 -25.943 -23.629 -10.800 1.00 0.00 C ATOM 244 CG ARG A 16 -26.471 -24.593 -11.849 1.00 0.00 C ATOM 245 CD ARG A 16 -27.722 -25.309 -11.368 1.00 0.00 C ATOM 246 NE ARG A 16 -28.882 -24.423 -11.337 1.00 0.00 N ATOM 247 CZ ARG A 16 -30.142 -24.850 -11.299 1.00 0.00 C ATOM 248 NH1 ARG A 16 -30.408 -26.151 -11.288 1.00 0.00 N ATOM 249 NH2 ARG A 16 -31.139 -23.976 -11.272 1.00 0.00 N ATOM 0 H ARG A 16 -23.752 -24.796 -10.906 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.803 -22.440 -12.164 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -25.778 -24.173 -9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.704 -22.875 -10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.693 -24.048 -12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -25.701 -25.326 -12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -27.930 -26.155 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -27.548 -25.713 -10.371 1.00 0.00 H new ATOM 0 HE ARG A 16 -28.717 -23.416 -11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -29.645 -26.828 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -31.375 -26.474 -11.259 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -30.941 -22.976 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -32.104 -24.304 -11.243 1.00 0.00 H new ATOM 263 N GLN A 17 -23.749 -22.356 -9.029 1.00 0.00 N ATOM 264 CA GLN A 17 -23.326 -21.473 -7.950 1.00 0.00 C ATOM 265 C GLN A 17 -22.117 -20.645 -8.376 1.00 0.00 C ATOM 266 O GLN A 17 -22.024 -19.463 -8.046 1.00 0.00 O ATOM 267 CB GLN A 17 -23.012 -22.287 -6.694 1.00 0.00 C ATOM 268 CG GLN A 17 -22.361 -21.479 -5.580 1.00 0.00 C ATOM 269 CD GLN A 17 -20.959 -21.957 -5.252 1.00 0.00 C ATOM 270 OE1 GLN A 17 -20.768 -23.072 -4.766 1.00 0.00 O ATOM 271 NE2 GLN A 17 -19.969 -21.112 -5.519 1.00 0.00 N ATOM 0 H GLN A 17 -23.611 -23.348 -8.838 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.141 -20.786 -7.721 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -23.936 -22.727 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.353 -23.112 -6.963 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -22.323 -20.430 -5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -22.980 -21.539 -4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -20.174 -20.198 -5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -19.004 -21.378 -5.321 1.00 0.00 H new ATOM 280 N HIS A 18 -21.202 -21.253 -9.119 1.00 0.00 N ATOM 281 CA HIS A 18 -20.023 -20.534 -9.589 1.00 0.00 C ATOM 282 C HIS A 18 -20.445 -19.352 -10.461 1.00 0.00 C ATOM 283 O HIS A 18 -20.191 -18.193 -10.122 1.00 0.00 O ATOM 284 CB HIS A 18 -19.081 -21.470 -10.354 1.00 0.00 C ATOM 285 CG HIS A 18 -17.929 -20.768 -11.005 1.00 0.00 C ATOM 286 ND1 HIS A 18 -16.783 -20.409 -10.326 1.00 0.00 N ATOM 287 CD2 HIS A 18 -17.750 -20.357 -12.282 1.00 0.00 C ATOM 288 CE1 HIS A 18 -15.950 -19.809 -11.157 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.513 -19.766 -12.350 1.00 0.00 N ATOM 0 H HIS A 18 -21.250 -22.230 -9.407 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.480 -20.152 -8.725 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.694 -22.222 -9.667 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.651 -21.999 -11.118 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.450 -20.473 -13.096 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.975 -19.420 -10.904 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -16.096 -19.359 -13.187 1.00 0.00 H new ATOM 298 N VAL A 19 -21.112 -19.640 -11.569 1.00 0.00 N ATOM 299 CA VAL A 19 -21.580 -18.593 -12.457 1.00 0.00 C ATOM 300 C VAL A 19 -22.547 -17.665 -11.732 1.00 0.00 C ATOM 301 O VAL A 19 -22.425 -16.443 -11.819 1.00 0.00 O ATOM 302 CB VAL A 19 -22.277 -19.184 -13.696 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.557 -18.094 -14.713 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.436 -20.296 -14.309 1.00 0.00 C ATOM 0 H VAL A 19 -21.339 -20.587 -11.871 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.707 -18.026 -12.780 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.228 -19.616 -13.385 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -23.050 -18.527 -15.584 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.204 -17.338 -14.268 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.618 -17.633 -15.020 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -21.947 -20.699 -15.183 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.467 -19.897 -14.608 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.291 -21.089 -13.575 1.00 0.00 H new ATOM 314 N ALA A 20 -23.507 -18.245 -11.019 1.00 0.00 N ATOM 315 CA ALA A 20 -24.491 -17.458 -10.283 1.00 0.00 C ATOM 316 C ALA A 20 -23.842 -16.520 -9.266 1.00 0.00 C ATOM 317 O ALA A 20 -24.228 -15.355 -9.169 1.00 0.00 O ATOM 318 CB ALA A 20 -25.511 -18.355 -9.610 1.00 0.00 C ATOM 0 H ALA A 20 -23.625 -19.255 -10.935 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.005 -16.834 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.232 -17.743 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -26.030 -18.946 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -25.005 -19.022 -8.912 1.00 0.00 H new ATOM 324 N ASP A 21 -22.868 -17.012 -8.501 1.00 0.00 N ATOM 325 CA ASP A 21 -22.215 -16.168 -7.503 1.00 0.00 C ATOM 326 C ASP A 21 -21.562 -14.962 -8.177 1.00 0.00 C ATOM 327 O ASP A 21 -21.508 -13.873 -7.607 1.00 0.00 O ATOM 328 CB ASP A 21 -21.183 -16.956 -6.685 1.00 0.00 C ATOM 329 CG ASP A 21 -19.853 -17.124 -7.389 1.00 0.00 C ATOM 330 OD1 ASP A 21 -19.125 -16.119 -7.522 1.00 0.00 O ATOM 331 OD2 ASP A 21 -19.532 -18.260 -7.790 1.00 0.00 O ATOM 0 H ASP A 21 -22.520 -17.969 -8.551 1.00 0.00 H new ATOM 0 HA ASP A 21 -22.979 -15.815 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.020 -16.448 -5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.590 -17.941 -6.454 1.00 0.00 H new ATOM 336 N ARG A 22 -21.085 -15.166 -9.401 1.00 0.00 N ATOM 337 CA ARG A 22 -20.453 -14.095 -10.164 1.00 0.00 C ATOM 338 C ARG A 22 -21.498 -13.098 -10.660 1.00 0.00 C ATOM 339 O ARG A 22 -21.200 -11.917 -10.838 1.00 0.00 O ATOM 340 CB ARG A 22 -19.694 -14.672 -11.356 1.00 0.00 C ATOM 341 CG ARG A 22 -18.255 -15.046 -11.051 1.00 0.00 C ATOM 342 CD ARG A 22 -18.167 -16.246 -10.126 1.00 0.00 C ATOM 343 NE ARG A 22 -17.115 -16.086 -9.124 1.00 0.00 N ATOM 344 CZ ARG A 22 -16.609 -17.092 -8.415 1.00 0.00 C ATOM 345 NH1 ARG A 22 -17.057 -18.330 -8.590 1.00 0.00 N ATOM 346 NH2 ARG A 22 -15.653 -16.861 -7.526 1.00 0.00 N ATOM 0 H ARG A 22 -21.124 -16.063 -9.886 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.754 -13.577 -9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.220 -15.557 -11.714 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.705 -13.944 -12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.732 -15.266 -11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.748 -14.197 -10.593 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.125 -16.390 -9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.975 -17.144 -10.713 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.747 -15.149 -8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -17.793 -18.514 -9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.665 -19.096 -8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.306 -15.912 -7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.265 -17.632 -6.982 1.00 0.00 H new ATOM 360 N LEU A 23 -22.721 -13.570 -10.873 1.00 0.00 N ATOM 361 CA LEU A 23 -23.794 -12.696 -11.338 1.00 0.00 C ATOM 362 C LEU A 23 -24.180 -11.698 -10.254 1.00 0.00 C ATOM 363 O LEU A 23 -24.191 -10.488 -10.482 1.00 0.00 O ATOM 364 CB LEU A 23 -25.021 -13.514 -11.750 1.00 0.00 C ATOM 365 CG LEU A 23 -24.726 -14.817 -12.496 1.00 0.00 C ATOM 366 CD1 LEU A 23 -25.990 -15.355 -13.150 1.00 0.00 C ATOM 367 CD2 LEU A 23 -23.633 -14.608 -13.537 1.00 0.00 C ATOM 0 H LEU A 23 -22.994 -14.543 -10.733 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.429 -12.150 -12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.595 -13.751 -10.854 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.656 -12.891 -12.380 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.372 -15.551 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -25.761 -16.282 -13.676 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.742 -15.548 -12.385 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.374 -14.621 -13.859 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.440 -15.547 -14.055 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -23.955 -13.856 -14.257 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.721 -14.271 -13.044 1.00 0.00 H new ATOM 379 N ALA A 24 -24.495 -12.216 -9.074 1.00 0.00 N ATOM 380 CA ALA A 24 -24.881 -11.377 -7.945 1.00 0.00 C ATOM 381 C ALA A 24 -23.772 -10.393 -7.583 1.00 0.00 C ATOM 382 O ALA A 24 -24.030 -9.341 -6.999 1.00 0.00 O ATOM 383 CB ALA A 24 -25.242 -12.237 -6.744 1.00 0.00 C ATOM 0 H ALA A 24 -24.491 -13.216 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.758 -10.800 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.528 -11.596 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -26.076 -12.890 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.382 -12.842 -6.458 1.00 0.00 H new ATOM 389 N LYS A 25 -22.539 -10.735 -7.944 1.00 0.00 N ATOM 390 CA LYS A 25 -21.396 -9.873 -7.668 1.00 0.00 C ATOM 391 C LYS A 25 -21.332 -8.743 -8.691 1.00 0.00 C ATOM 392 O LYS A 25 -20.911 -7.628 -8.384 1.00 0.00 O ATOM 393 CB LYS A 25 -20.101 -10.692 -7.700 1.00 0.00 C ATOM 394 CG LYS A 25 -18.833 -9.854 -7.813 1.00 0.00 C ATOM 395 CD LYS A 25 -18.763 -8.787 -6.731 1.00 0.00 C ATOM 396 CE LYS A 25 -17.765 -9.159 -5.646 1.00 0.00 C ATOM 397 NZ LYS A 25 -17.044 -7.966 -5.121 1.00 0.00 N ATOM 0 H LYS A 25 -22.306 -11.602 -8.428 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.512 -9.439 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.044 -11.296 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.142 -11.383 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -17.961 -10.503 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.797 -9.380 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.479 -7.834 -7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.750 -8.651 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.286 -9.657 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.044 -9.872 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.373 -8.262 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.525 -7.505 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.729 -7.296 -4.717 1.00 0.00 H new ATOM 411 N LEU A 26 -21.752 -9.055 -9.911 1.00 0.00 N ATOM 412 CA LEU A 26 -21.751 -8.093 -11.006 1.00 0.00 C ATOM 413 C LEU A 26 -22.964 -7.165 -10.923 1.00 0.00 C ATOM 414 O LEU A 26 -23.758 -7.080 -11.860 1.00 0.00 O ATOM 415 CB LEU A 26 -21.754 -8.843 -12.341 1.00 0.00 C ATOM 416 CG LEU A 26 -20.442 -9.547 -12.691 1.00 0.00 C ATOM 417 CD1 LEU A 26 -20.715 -10.844 -13.437 1.00 0.00 C ATOM 418 CD2 LEU A 26 -19.550 -8.632 -13.517 1.00 0.00 C ATOM 0 H LEU A 26 -22.101 -9.978 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.853 -7.480 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.553 -9.585 -12.322 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.993 -8.137 -13.136 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.922 -9.788 -11.764 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.770 -11.331 -13.678 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.315 -11.505 -12.811 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.256 -10.627 -14.358 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.621 -9.149 -13.757 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.063 -8.360 -14.440 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.326 -7.730 -12.947 1.00 0.00 H new ATOM 592 N PRO A 36 -30.960 -13.530 -19.629 1.00 0.00 N ATOM 593 CA PRO A 36 -29.700 -13.894 -20.275 1.00 0.00 C ATOM 594 C PRO A 36 -29.570 -15.402 -20.465 1.00 0.00 C ATOM 595 O PRO A 36 -30.177 -16.183 -19.731 1.00 0.00 O ATOM 596 CB PRO A 36 -28.653 -13.383 -19.289 1.00 0.00 C ATOM 597 CG PRO A 36 -29.309 -13.501 -17.956 1.00 0.00 C ATOM 598 CD PRO A 36 -30.785 -13.286 -18.183 1.00 0.00 C ATOM 0 HA PRO A 36 -29.606 -13.473 -21.276 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.740 -13.976 -19.336 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.374 -12.352 -19.505 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.123 -14.482 -17.518 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.912 -12.761 -17.261 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.385 -13.973 -17.586 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.089 -12.276 -17.908 1.00 0.00 H new ATOM 606 N HIS A 37 -28.783 -15.810 -21.457 1.00 0.00 N ATOM 607 CA HIS A 37 -28.588 -17.228 -21.740 1.00 0.00 C ATOM 608 C HIS A 37 -27.127 -17.537 -22.059 1.00 0.00 C ATOM 609 O HIS A 37 -26.518 -16.901 -22.920 1.00 0.00 O ATOM 610 CB HIS A 37 -29.478 -17.660 -22.907 1.00 0.00 C ATOM 611 CG HIS A 37 -30.165 -18.971 -22.682 1.00 0.00 C ATOM 612 ND1 HIS A 37 -31.524 -19.144 -22.833 1.00 0.00 N ATOM 613 CD2 HIS A 37 -29.672 -20.177 -22.314 1.00 0.00 C ATOM 614 CE1 HIS A 37 -31.838 -20.399 -22.566 1.00 0.00 C ATOM 615 NE2 HIS A 37 -30.732 -21.047 -22.250 1.00 0.00 N ATOM 0 H HIS A 37 -28.272 -15.181 -22.076 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.865 -17.788 -20.847 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -30.230 -16.891 -23.084 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.872 -17.727 -23.810 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -28.638 -20.411 -22.109 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -32.831 -20.823 -22.600 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -30.674 -22.034 -21.999 1.00 0.00 H new ATOM 624 N ILE A 38 -26.577 -18.524 -21.358 1.00 0.00 N ATOM 625 CA ILE A 38 -25.192 -18.933 -21.560 1.00 0.00 C ATOM 626 C ILE A 38 -25.112 -20.397 -21.980 1.00 0.00 C ATOM 627 O ILE A 38 -25.810 -21.251 -21.433 1.00 0.00 O ATOM 628 CB ILE A 38 -24.355 -18.730 -20.281 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.473 -17.284 -19.794 1.00 0.00 C ATOM 630 CG2 ILE A 38 -22.899 -19.094 -20.529 1.00 0.00 C ATOM 631 CD1 ILE A 38 -25.627 -17.059 -18.842 1.00 0.00 C ATOM 0 H ILE A 38 -27.072 -19.057 -20.643 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.786 -18.306 -22.353 1.00 0.00 H new ATOM 0 HB ILE A 38 -24.743 -19.390 -19.505 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -23.544 -16.999 -19.300 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.590 -16.627 -20.656 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.326 -18.944 -19.614 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -22.832 -20.139 -20.832 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.495 -18.461 -21.319 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -25.649 -16.012 -18.538 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -26.563 -17.313 -19.339 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -25.501 -17.690 -17.962 1.00 0.00 H new ATOM 643 N ILE A 39 -24.257 -20.678 -22.957 1.00 0.00 N ATOM 644 CA ILE A 39 -24.081 -22.034 -23.456 1.00 0.00 C ATOM 645 C ILE A 39 -22.645 -22.508 -23.267 1.00 0.00 C ATOM 646 O ILE A 39 -21.697 -21.738 -23.426 1.00 0.00 O ATOM 647 CB ILE A 39 -24.453 -22.136 -24.946 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.817 -21.492 -25.198 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.460 -23.593 -25.389 1.00 0.00 C ATOM 650 CD1 ILE A 39 -26.253 -21.543 -26.647 1.00 0.00 C ATOM 0 H ILE A 39 -23.674 -19.981 -23.420 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.749 -22.673 -22.878 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.705 -21.600 -25.531 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.565 -21.994 -24.584 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -25.784 -20.452 -24.874 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.725 -23.651 -26.445 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.470 -24.024 -25.239 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -25.190 -24.149 -24.801 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -27.229 -21.068 -26.750 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -25.526 -21.016 -27.265 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -26.319 -22.582 -26.971 1.00 0.00 H new ATOM 662 N LEU A 40 -22.494 -23.783 -22.928 1.00 0.00 N ATOM 663 CA LEU A 40 -21.179 -24.375 -22.715 1.00 0.00 C ATOM 664 C LEU A 40 -20.943 -25.537 -23.671 1.00 0.00 C ATOM 665 O LEU A 40 -21.777 -26.435 -23.797 1.00 0.00 O ATOM 666 CB LEU A 40 -21.043 -24.853 -21.269 1.00 0.00 C ATOM 667 CG LEU A 40 -20.714 -23.759 -20.252 1.00 0.00 C ATOM 668 CD1 LEU A 40 -21.244 -24.132 -18.876 1.00 0.00 C ATOM 669 CD2 LEU A 40 -19.214 -23.514 -20.201 1.00 0.00 C ATOM 0 H LEU A 40 -23.271 -24.430 -22.794 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.427 -23.610 -22.911 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.975 -25.334 -20.973 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.264 -25.614 -21.226 1.00 0.00 H new ATOM 0 HG LEU A 40 -21.202 -22.837 -20.567 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.000 -23.342 -18.166 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -22.326 -24.256 -18.924 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -20.786 -25.066 -18.551 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -18.998 -22.733 -19.472 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -18.705 -24.433 -19.910 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.863 -23.201 -21.184 1.00 0.00 H new ATOM 681 N SER A 41 -19.796 -25.512 -24.340 1.00 0.00 N ATOM 682 CA SER A 41 -19.432 -26.558 -25.285 1.00 0.00 C ATOM 683 C SER A 41 -18.075 -27.152 -24.928 1.00 0.00 C ATOM 684 O SER A 41 -17.524 -26.868 -23.863 1.00 0.00 O ATOM 685 CB SER A 41 -19.402 -26.003 -26.711 1.00 0.00 C ATOM 686 OG SER A 41 -20.601 -25.309 -27.013 1.00 0.00 O ATOM 0 H SER A 41 -19.099 -24.773 -24.244 1.00 0.00 H new ATOM 0 HA SER A 41 -20.184 -27.345 -25.230 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.551 -25.332 -26.826 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.262 -26.819 -27.420 1.00 0.00 H new ATOM 0 HG SER A 41 -20.557 -24.963 -27.929 1.00 0.00 H new ATOM 692 N LYS A 42 -17.541 -27.979 -25.817 1.00 0.00 N ATOM 693 CA LYS A 42 -16.250 -28.614 -25.584 1.00 0.00 C ATOM 694 C LYS A 42 -15.614 -29.071 -26.888 1.00 0.00 C ATOM 695 O LYS A 42 -16.287 -29.572 -27.790 1.00 0.00 O ATOM 696 CB LYS A 42 -16.411 -29.805 -24.637 1.00 0.00 C ATOM 697 CG LYS A 42 -15.105 -30.518 -24.325 1.00 0.00 C ATOM 698 CD LYS A 42 -15.223 -32.021 -24.534 1.00 0.00 C ATOM 699 CE LYS A 42 -15.327 -32.371 -26.009 1.00 0.00 C ATOM 700 NZ LYS A 42 -15.961 -33.702 -26.220 1.00 0.00 N ATOM 0 H LYS A 42 -17.980 -28.226 -26.704 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.592 -27.875 -25.127 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.858 -29.459 -23.705 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.107 -30.518 -25.079 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.313 -30.123 -24.961 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.816 -30.315 -23.294 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.355 -32.519 -24.101 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.101 -32.395 -24.007 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.909 -31.606 -26.524 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.332 -32.368 -26.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.014 -33.904 -27.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.393 -34.436 -25.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.920 -33.697 -25.818 1.00 0.00 H new ATOM 714 N GLU A 43 -14.304 -28.905 -26.962 1.00 0.00 N ATOM 715 CA GLU A 43 -13.526 -29.300 -28.123 1.00 0.00 C ATOM 716 C GLU A 43 -12.318 -30.107 -27.666 1.00 0.00 C ATOM 717 O GLU A 43 -11.885 -29.983 -26.520 1.00 0.00 O ATOM 718 CB GLU A 43 -13.067 -28.065 -28.899 1.00 0.00 C ATOM 719 CG GLU A 43 -14.212 -27.252 -29.483 1.00 0.00 C ATOM 720 CD GLU A 43 -13.971 -26.855 -30.925 1.00 0.00 C ATOM 721 OE1 GLU A 43 -14.257 -27.675 -31.823 1.00 0.00 O ATOM 722 OE2 GLU A 43 -13.495 -25.725 -31.159 1.00 0.00 O ATOM 0 H GLU A 43 -13.748 -28.490 -26.214 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.145 -29.910 -28.780 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.481 -27.428 -28.237 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.406 -28.379 -29.707 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.133 -27.831 -29.419 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.358 -26.354 -28.883 1.00 0.00 H new ATOM 729 N PRO A 44 -11.747 -30.945 -28.539 1.00 0.00 N ATOM 730 CA PRO A 44 -10.581 -31.758 -28.184 1.00 0.00 C ATOM 731 C PRO A 44 -9.455 -30.926 -27.584 1.00 0.00 C ATOM 732 O PRO A 44 -8.606 -31.437 -26.852 1.00 0.00 O ATOM 733 CB PRO A 44 -10.150 -32.358 -29.519 1.00 0.00 C ATOM 734 CG PRO A 44 -11.391 -32.382 -30.342 1.00 0.00 C ATOM 735 CD PRO A 44 -12.183 -31.172 -29.929 1.00 0.00 C ATOM 0 HA PRO A 44 -10.818 -32.502 -27.424 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.373 -31.756 -29.991 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.742 -33.360 -29.389 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.155 -32.350 -31.406 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.957 -33.297 -30.169 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.967 -30.313 -30.564 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.256 -31.353 -29.990 1.00 0.00 H new ATOM 743 N GLN A 45 -9.451 -29.650 -27.919 1.00 0.00 N ATOM 744 CA GLN A 45 -8.432 -28.728 -27.444 1.00 0.00 C ATOM 745 C GLN A 45 -8.806 -28.064 -26.116 1.00 0.00 C ATOM 746 O GLN A 45 -7.990 -27.355 -25.527 1.00 0.00 O ATOM 747 CB GLN A 45 -8.162 -27.653 -28.499 1.00 0.00 C ATOM 748 CG GLN A 45 -7.045 -26.696 -28.119 1.00 0.00 C ATOM 749 CD GLN A 45 -6.414 -26.026 -29.324 1.00 0.00 C ATOM 750 OE1 GLN A 45 -6.314 -26.622 -30.397 1.00 0.00 O ATOM 751 NE2 GLN A 45 -5.986 -24.782 -29.153 1.00 0.00 N ATOM 0 H GLN A 45 -10.151 -29.222 -28.526 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.531 -29.316 -27.270 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.909 -28.137 -29.443 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.076 -27.083 -28.667 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.439 -25.932 -27.448 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.278 -27.240 -27.567 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.090 -24.327 -28.246 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.553 -24.280 -29.929 1.00 0.00 H new ATOM 760 N GLY A 46 -10.030 -28.288 -25.640 1.00 0.00 N ATOM 761 CA GLY A 46 -10.448 -27.690 -24.383 1.00 0.00 C ATOM 762 C GLY A 46 -11.932 -27.404 -24.352 1.00 0.00 C ATOM 763 O GLY A 46 -12.681 -27.949 -25.154 1.00 0.00 O ATOM 0 H GLY A 46 -10.733 -28.868 -26.098 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.191 -28.359 -23.561 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.898 -26.763 -24.223 1.00 0.00 H new ATOM 767 N PHE A 47 -12.367 -26.553 -23.430 1.00 0.00 N ATOM 768 CA PHE A 47 -13.784 -26.215 -23.321 1.00 0.00 C ATOM 769 C PHE A 47 -14.067 -24.794 -23.775 1.00 0.00 C ATOM 770 O PHE A 47 -13.206 -23.915 -23.716 1.00 0.00 O ATOM 771 CB PHE A 47 -14.266 -26.417 -21.894 1.00 0.00 C ATOM 772 CG PHE A 47 -13.869 -27.748 -21.355 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.583 -27.956 -20.903 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.769 -28.795 -21.331 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.195 -29.187 -20.427 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.390 -30.035 -20.857 1.00 0.00 C ATOM 777 CZ PHE A 47 -13.099 -30.232 -20.403 1.00 0.00 C ATOM 0 H PHE A 47 -11.765 -26.087 -22.751 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.331 -26.885 -23.984 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.857 -25.632 -21.258 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.351 -26.321 -21.861 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.872 -27.143 -20.923 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.778 -28.643 -21.686 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.186 -29.336 -20.073 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.100 -30.849 -20.841 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.798 -31.200 -20.031 1.00 0.00 H new ATOM 787 N VAL A 48 -15.292 -24.592 -24.242 1.00 0.00 N ATOM 788 CA VAL A 48 -15.731 -23.297 -24.733 1.00 0.00 C ATOM 789 C VAL A 48 -17.016 -22.857 -24.036 1.00 0.00 C ATOM 790 O VAL A 48 -17.907 -23.670 -23.787 1.00 0.00 O ATOM 791 CB VAL A 48 -15.960 -23.344 -26.258 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.621 -22.066 -26.756 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.645 -23.586 -26.983 1.00 0.00 C ATOM 0 H VAL A 48 -16.005 -25.320 -24.290 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.946 -22.574 -24.512 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.635 -24.172 -26.473 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.769 -22.129 -27.834 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.585 -21.940 -26.264 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.982 -21.213 -26.527 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.822 -23.617 -28.058 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.949 -22.779 -26.753 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.220 -24.536 -26.658 1.00 0.00 H new ATOM 803 N ALA A 49 -17.110 -21.567 -23.731 1.00 0.00 N ATOM 804 CA ALA A 49 -18.289 -21.024 -23.072 1.00 0.00 C ATOM 805 C ALA A 49 -18.769 -19.762 -23.778 1.00 0.00 C ATOM 806 O ALA A 49 -18.007 -18.810 -23.941 1.00 0.00 O ATOM 807 CB ALA A 49 -17.990 -20.731 -21.609 1.00 0.00 C ATOM 0 H ALA A 49 -16.383 -20.879 -23.930 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.083 -21.768 -23.124 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.881 -20.326 -21.130 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.695 -21.652 -21.106 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.180 -20.005 -21.542 1.00 0.00 H new ATOM 813 N ASP A 50 -20.028 -19.758 -24.203 1.00 0.00 N ATOM 814 CA ASP A 50 -20.591 -18.604 -24.895 1.00 0.00 C ATOM 815 C ASP A 50 -21.777 -18.038 -24.128 1.00 0.00 C ATOM 816 O ASP A 50 -22.490 -18.772 -23.448 1.00 0.00 O ATOM 817 CB ASP A 50 -21.030 -18.997 -26.306 1.00 0.00 C ATOM 818 CG ASP A 50 -19.869 -19.049 -27.281 1.00 0.00 C ATOM 819 OD1 ASP A 50 -19.212 -20.108 -27.366 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.619 -18.032 -27.960 1.00 0.00 O ATOM 0 H ASP A 50 -20.675 -20.537 -24.081 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.819 -17.837 -24.958 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.517 -19.972 -26.273 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.770 -18.282 -26.665 1.00 0.00 H new ATOM 825 N ALA A 51 -21.993 -16.734 -24.244 1.00 0.00 N ATOM 826 CA ALA A 51 -23.106 -16.094 -23.558 1.00 0.00 C ATOM 827 C ALA A 51 -23.658 -14.924 -24.364 1.00 0.00 C ATOM 828 O ALA A 51 -22.900 -14.150 -24.949 1.00 0.00 O ATOM 829 CB ALA A 51 -22.683 -15.626 -22.174 1.00 0.00 C ATOM 0 H ALA A 51 -21.417 -16.104 -24.802 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.899 -16.835 -23.453 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.528 -15.150 -21.677 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.351 -16.482 -21.586 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.866 -14.910 -22.266 1.00 0.00 H new ATOM 835 N THR A 52 -24.977 -14.790 -24.378 1.00 0.00 N ATOM 836 CA THR A 52 -25.622 -13.700 -25.100 1.00 0.00 C ATOM 837 C THR A 52 -26.721 -13.088 -24.242 1.00 0.00 C ATOM 838 O THR A 52 -27.558 -13.807 -23.697 1.00 0.00 O ATOM 839 CB THR A 52 -26.207 -14.204 -26.421 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.330 -15.130 -27.038 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.478 -13.095 -27.416 1.00 0.00 C ATOM 0 H THR A 52 -25.621 -15.420 -23.899 1.00 0.00 H new ATOM 0 HA THR A 52 -24.875 -12.938 -25.321 1.00 0.00 H new ATOM 0 HB THR A 52 -27.154 -14.674 -26.157 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.723 -15.441 -27.880 1.00 0.00 H new ATOM 0 HG21 THR A 52 -26.892 -13.520 -28.331 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.191 -12.389 -26.989 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.547 -12.577 -27.645 1.00 0.00 H new ATOM 849 N ILE A 53 -26.715 -11.768 -24.108 1.00 0.00 N ATOM 850 CA ILE A 53 -27.719 -11.095 -23.294 1.00 0.00 C ATOM 851 C ILE A 53 -28.322 -9.894 -24.011 1.00 0.00 C ATOM 852 O ILE A 53 -27.622 -9.134 -24.681 1.00 0.00 O ATOM 853 CB ILE A 53 -27.134 -10.633 -21.947 1.00 0.00 C ATOM 854 CG1 ILE A 53 -26.190 -11.695 -21.377 1.00 0.00 C ATOM 855 CG2 ILE A 53 -28.255 -10.336 -20.966 1.00 0.00 C ATOM 856 CD1 ILE A 53 -25.448 -11.243 -20.139 1.00 0.00 C ATOM 0 H ILE A 53 -26.034 -11.148 -24.547 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.506 -11.828 -23.114 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.561 -9.720 -22.111 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -26.765 -12.590 -21.140 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.466 -11.975 -22.143 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.831 -10.010 -20.016 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.892 -9.548 -21.369 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.848 -11.237 -20.808 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.798 -12.046 -19.791 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -24.846 -10.366 -20.376 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -26.164 -10.991 -19.357 1.00 0.00 H new ATOM 868 N ASN A 54 -29.630 -9.726 -23.845 1.00 0.00 N ATOM 869 CA ASN A 54 -30.357 -8.617 -24.449 1.00 0.00 C ATOM 870 C ASN A 54 -30.611 -7.516 -23.426 1.00 0.00 C ATOM 871 O ASN A 54 -31.291 -7.729 -22.422 1.00 0.00 O ATOM 872 CB ASN A 54 -31.689 -9.100 -25.020 1.00 0.00 C ATOM 873 CG ASN A 54 -31.516 -10.218 -26.029 1.00 0.00 C ATOM 874 OD1 ASN A 54 -31.213 -11.355 -25.667 1.00 0.00 O ATOM 875 ND2 ASN A 54 -31.706 -9.898 -27.304 1.00 0.00 N ATOM 0 H ASN A 54 -30.213 -10.352 -23.290 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.745 -8.215 -25.256 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.326 -9.445 -24.206 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -32.202 -8.263 -25.494 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -31.602 -10.608 -28.029 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -31.956 -8.942 -27.558 1.00 0.00 H new ATOM 882 N THR A 55 -30.070 -6.335 -23.699 1.00 0.00 N ATOM 883 CA THR A 55 -30.244 -5.189 -22.816 1.00 0.00 C ATOM 884 C THR A 55 -31.124 -4.138 -23.486 1.00 0.00 C ATOM 885 O THR A 55 -31.086 -3.977 -24.706 1.00 0.00 O ATOM 886 CB THR A 55 -28.888 -4.581 -22.444 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.406 -3.752 -23.486 1.00 0.00 O ATOM 888 CG2 THR A 55 -27.823 -5.619 -22.155 1.00 0.00 C ATOM 0 H THR A 55 -29.506 -6.146 -24.527 1.00 0.00 H new ATOM 0 HA THR A 55 -30.731 -5.530 -21.902 1.00 0.00 H new ATOM 0 HB THR A 55 -29.071 -4.008 -21.535 1.00 0.00 H new ATOM 0 HG1 THR A 55 -28.905 -3.937 -24.309 1.00 0.00 H new ATOM 0 HG21 THR A 55 -26.889 -5.120 -21.899 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.141 -6.244 -21.321 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.672 -6.241 -23.037 1.00 0.00 H new ATOM 896 N PRO A 56 -31.938 -3.411 -22.702 1.00 0.00 N ATOM 897 CA PRO A 56 -32.834 -2.383 -23.243 1.00 0.00 C ATOM 898 C PRO A 56 -32.084 -1.299 -24.016 1.00 0.00 C ATOM 899 O PRO A 56 -32.685 -0.552 -24.788 1.00 0.00 O ATOM 900 CB PRO A 56 -33.500 -1.788 -21.998 1.00 0.00 C ATOM 901 CG PRO A 56 -33.352 -2.831 -20.944 1.00 0.00 C ATOM 902 CD PRO A 56 -32.061 -3.539 -21.239 1.00 0.00 C ATOM 0 HA PRO A 56 -33.540 -2.804 -23.959 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.019 -0.856 -21.701 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -34.550 -1.560 -22.183 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -33.332 -2.382 -19.951 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -34.191 -3.526 -20.963 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -31.220 -3.077 -20.722 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -32.093 -4.583 -20.927 1.00 0.00 H new ATOM 910 N ASN A 57 -30.773 -1.213 -23.801 1.00 0.00 N ATOM 911 CA ASN A 57 -29.956 -0.212 -24.479 1.00 0.00 C ATOM 912 C ASN A 57 -28.883 -0.860 -25.351 1.00 0.00 C ATOM 913 O ASN A 57 -27.861 -0.243 -25.649 1.00 0.00 O ATOM 914 CB ASN A 57 -29.299 0.713 -23.454 1.00 0.00 C ATOM 915 CG ASN A 57 -30.315 1.449 -22.602 1.00 0.00 C ATOM 916 OD1 ASN A 57 -31.369 0.907 -22.266 1.00 0.00 O ATOM 917 ND2 ASN A 57 -30.003 2.690 -22.247 1.00 0.00 N ATOM 0 H ASN A 57 -30.257 -1.822 -23.166 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.613 0.368 -25.127 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -28.644 0.128 -22.809 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.671 1.438 -23.973 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -30.648 3.234 -21.673 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -29.119 3.099 -22.548 1.00 0.00 H new ATOM 924 N GLY A 58 -29.118 -2.103 -25.764 1.00 0.00 N ATOM 925 CA GLY A 58 -28.153 -2.795 -26.602 1.00 0.00 C ATOM 926 C GLY A 58 -28.058 -4.277 -26.299 1.00 0.00 C ATOM 927 O GLY A 58 -28.924 -4.840 -25.631 1.00 0.00 O ATOM 0 H GLY A 58 -29.954 -2.641 -25.535 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -28.427 -2.661 -27.648 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.172 -2.339 -26.469 1.00 0.00 H new ATOM 931 N VAL A 59 -27.000 -4.905 -26.800 1.00 0.00 N ATOM 932 CA VAL A 59 -26.780 -6.332 -26.588 1.00 0.00 C ATOM 933 C VAL A 59 -25.307 -6.625 -26.325 1.00 0.00 C ATOM 934 O VAL A 59 -24.425 -6.000 -26.914 1.00 0.00 O ATOM 935 CB VAL A 59 -27.247 -7.159 -27.801 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.224 -8.644 -27.476 1.00 0.00 C ATOM 937 CG2 VAL A 59 -28.636 -6.724 -28.244 1.00 0.00 C ATOM 0 H VAL A 59 -26.279 -4.447 -27.358 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.368 -6.618 -25.716 1.00 0.00 H new ATOM 0 HB VAL A 59 -26.557 -6.980 -28.625 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -27.557 -9.212 -28.345 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.209 -8.943 -27.214 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -27.889 -8.843 -26.636 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -28.948 -7.320 -29.102 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.341 -6.869 -27.426 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -28.616 -5.670 -28.522 1.00 0.00 H new ATOM 947 N LEU A 60 -25.045 -7.574 -25.431 1.00 0.00 N ATOM 948 CA LEU A 60 -23.676 -7.942 -25.086 1.00 0.00 C ATOM 949 C LEU A 60 -23.393 -9.401 -25.424 1.00 0.00 C ATOM 950 O LEU A 60 -24.274 -10.255 -25.329 1.00 0.00 O ATOM 951 CB LEU A 60 -23.418 -7.693 -23.599 1.00 0.00 C ATOM 952 CG LEU A 60 -23.770 -6.286 -23.106 1.00 0.00 C ATOM 953 CD1 LEU A 60 -24.337 -6.340 -21.697 1.00 0.00 C ATOM 954 CD2 LEU A 60 -22.546 -5.385 -23.157 1.00 0.00 C ATOM 0 H LEU A 60 -25.762 -8.102 -24.933 1.00 0.00 H new ATOM 0 HA LEU A 60 -23.005 -7.319 -25.677 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -23.990 -8.418 -23.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.364 -7.881 -23.392 1.00 0.00 H new ATOM 0 HG LEU A 60 -24.532 -5.870 -23.765 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -24.581 -5.331 -21.364 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -25.239 -6.952 -21.691 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -23.598 -6.775 -21.024 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -22.812 -4.389 -22.804 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -21.763 -5.798 -22.521 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -22.184 -5.321 -24.183 1.00 0.00 H new ATOM 966 N VAL A 61 -22.154 -9.677 -25.819 1.00 0.00 N ATOM 967 CA VAL A 61 -21.742 -11.030 -26.172 1.00 0.00 C ATOM 968 C VAL A 61 -20.344 -11.328 -25.637 1.00 0.00 C ATOM 969 O VAL A 61 -19.489 -10.444 -25.583 1.00 0.00 O ATOM 970 CB VAL A 61 -21.753 -11.242 -27.697 1.00 0.00 C ATOM 971 CG1 VAL A 61 -21.514 -12.705 -28.036 1.00 0.00 C ATOM 972 CG2 VAL A 61 -23.065 -10.756 -28.294 1.00 0.00 C ATOM 0 H VAL A 61 -21.416 -8.978 -25.903 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.460 -11.712 -25.716 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.943 -10.656 -28.132 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.525 -12.834 -29.118 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.546 -13.016 -27.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -22.299 -13.315 -27.589 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -23.055 -10.914 -29.372 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -23.893 -11.312 -27.854 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -23.189 -9.694 -28.084 1.00 0.00 H new ATOM 982 N ALA A 62 -20.120 -12.576 -25.238 1.00 0.00 N ATOM 983 CA ALA A 62 -18.825 -12.982 -24.701 1.00 0.00 C ATOM 984 C ALA A 62 -18.574 -14.473 -24.904 1.00 0.00 C ATOM 985 O ALA A 62 -19.507 -15.273 -24.974 1.00 0.00 O ATOM 986 CB ALA A 62 -18.732 -12.626 -23.224 1.00 0.00 C ATOM 0 H ALA A 62 -20.815 -13.321 -25.276 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.054 -12.440 -25.248 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.761 -12.934 -22.836 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.846 -11.549 -23.101 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.522 -13.140 -22.676 1.00 0.00 H new ATOM 992 N SER A 63 -17.295 -14.828 -25.010 1.00 0.00 N ATOM 993 CA SER A 63 -16.897 -16.216 -25.220 1.00 0.00 C ATOM 994 C SER A 63 -15.615 -16.553 -24.463 1.00 0.00 C ATOM 995 O SER A 63 -14.815 -15.671 -24.149 1.00 0.00 O ATOM 996 CB SER A 63 -16.702 -16.488 -26.713 1.00 0.00 C ATOM 997 OG SER A 63 -17.575 -15.692 -27.495 1.00 0.00 O ATOM 0 H SER A 63 -16.516 -14.171 -24.954 1.00 0.00 H new ATOM 0 HA SER A 63 -17.695 -16.851 -24.834 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.669 -16.281 -26.992 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.883 -17.543 -26.920 1.00 0.00 H new ATOM 0 HG SER A 63 -18.342 -16.231 -27.781 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.425 -17.841 -24.184 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.238 -18.294 -23.478 1.00 0.00 C ATOM 1005 C GLY A 64 -13.873 -19.718 -23.860 1.00 0.00 C ATOM 1006 O GLY A 64 -14.548 -20.666 -23.458 1.00 0.00 O ATOM 0 H GLY A 64 -16.077 -18.583 -24.437 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.403 -17.630 -23.704 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.409 -18.237 -22.403 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.819 -19.867 -24.657 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.383 -21.184 -25.116 1.00 0.00 C ATOM 1012 C LYS A 65 -11.088 -21.635 -24.446 1.00 0.00 C ATOM 1013 O LYS A 65 -10.190 -22.160 -25.104 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.201 -21.174 -26.636 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.442 -20.727 -27.394 1.00 0.00 C ATOM 1016 CD LYS A 65 -13.182 -19.465 -28.201 1.00 0.00 C ATOM 1017 CE LYS A 65 -13.864 -19.520 -29.559 1.00 0.00 C ATOM 1018 NZ LYS A 65 -13.014 -18.934 -30.631 1.00 0.00 N ATOM 0 H LYS A 65 -12.250 -19.092 -24.999 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.160 -21.895 -24.837 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.372 -20.513 -26.890 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.924 -22.175 -26.967 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.769 -21.525 -28.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.254 -20.548 -26.690 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.541 -18.598 -27.647 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.109 -19.334 -28.337 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.098 -20.556 -29.806 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.811 -18.982 -29.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.515 -18.991 -31.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.812 -17.938 -30.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.121 -19.463 -30.694 1.00 0.00 H new ATOM 1032 N HIS A 66 -11.004 -21.457 -23.133 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.822 -21.882 -22.390 1.00 0.00 C ATOM 1034 C HIS A 66 -9.823 -23.397 -22.213 1.00 0.00 C ATOM 1035 O HIS A 66 -10.877 -24.036 -22.257 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.754 -21.196 -21.025 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.383 -21.218 -20.422 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -8.056 -21.972 -19.314 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.245 -20.582 -20.789 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.779 -21.800 -19.027 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.264 -20.962 -19.906 1.00 0.00 N ATOM 0 H HIS A 66 -11.733 -21.025 -22.564 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.942 -21.591 -22.964 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.082 -20.162 -21.129 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.451 -21.685 -20.345 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.130 -19.903 -21.621 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.246 -22.266 -18.211 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.294 -20.647 -19.927 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.643 -23.973 -22.013 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.516 -25.415 -21.831 1.00 0.00 C ATOM 1052 C GLU A 67 -9.298 -25.892 -20.606 1.00 0.00 C ATOM 1053 O GLU A 67 -9.725 -27.045 -20.544 1.00 0.00 O ATOM 1054 CB GLU A 67 -7.035 -25.791 -21.692 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.798 -27.201 -21.172 1.00 0.00 C ATOM 1056 CD GLU A 67 -5.693 -27.920 -21.920 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -5.976 -28.496 -22.991 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -4.543 -27.908 -21.433 1.00 0.00 O ATOM 0 H GLU A 67 -7.760 -23.464 -21.973 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.936 -25.908 -22.708 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.552 -25.688 -22.664 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.553 -25.081 -21.020 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.545 -27.156 -20.113 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.721 -27.775 -21.255 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.466 -25.006 -19.630 1.00 0.00 N ATOM 1066 CA ASP A 68 -10.183 -25.350 -18.404 1.00 0.00 C ATOM 1067 C ASP A 68 -11.634 -24.882 -18.456 1.00 0.00 C ATOM 1068 O ASP A 68 -11.912 -23.692 -18.603 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.479 -24.739 -17.192 1.00 0.00 C ATOM 1070 CG ASP A 68 -9.859 -25.428 -15.895 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -11.004 -25.238 -15.434 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -9.010 -26.159 -15.341 1.00 0.00 O ATOM 0 H ASP A 68 -9.118 -24.048 -19.662 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.183 -26.436 -18.311 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.400 -24.803 -17.332 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.730 -23.680 -17.125 1.00 0.00 H new ATOM 1077 N MET A 69 -12.555 -25.835 -18.330 1.00 0.00 N ATOM 1078 CA MET A 69 -13.986 -25.544 -18.356 1.00 0.00 C ATOM 1079 C MET A 69 -14.343 -24.380 -17.434 1.00 0.00 C ATOM 1080 O MET A 69 -15.063 -23.461 -17.827 1.00 0.00 O ATOM 1081 CB MET A 69 -14.781 -26.786 -17.947 1.00 0.00 C ATOM 1082 CG MET A 69 -16.285 -26.627 -18.115 1.00 0.00 C ATOM 1083 SD MET A 69 -17.203 -27.038 -16.619 1.00 0.00 S ATOM 1084 CE MET A 69 -18.736 -27.645 -17.317 1.00 0.00 C ATOM 0 H MET A 69 -12.333 -26.823 -18.208 1.00 0.00 H new ATOM 0 HA MET A 69 -14.246 -25.259 -19.375 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.445 -27.635 -18.542 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.563 -27.021 -16.905 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.507 -25.599 -18.401 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.624 -27.265 -18.931 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.572 -27.318 -16.699 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.856 -27.253 -18.327 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.714 -28.734 -17.350 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.844 -24.432 -16.203 1.00 0.00 N ATOM 1095 CA TYR A 70 -14.121 -23.390 -15.219 1.00 0.00 C ATOM 1096 C TYR A 70 -13.492 -22.061 -15.626 1.00 0.00 C ATOM 1097 O TYR A 70 -14.106 -21.006 -15.478 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.606 -23.812 -13.842 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.530 -24.763 -13.115 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -14.884 -25.983 -13.676 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -15.049 -24.440 -11.867 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -15.729 -26.854 -13.016 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -15.894 -25.306 -11.200 1.00 0.00 C ATOM 1104 CZ TYR A 70 -16.231 -26.511 -11.779 1.00 0.00 C ATOM 1105 OH TYR A 70 -17.073 -27.376 -11.117 1.00 0.00 O ATOM 0 H TYR A 70 -13.246 -25.185 -15.863 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.201 -23.253 -15.172 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.630 -24.284 -13.957 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.459 -22.922 -13.230 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.492 -26.255 -14.645 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.788 -23.497 -11.411 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.995 -27.799 -13.467 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.288 -25.040 -10.230 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.336 -26.984 -10.258 1.00 0.00 H new ATOM 1115 N THR A 71 -12.268 -22.117 -16.139 1.00 0.00 N ATOM 1116 CA THR A 71 -11.570 -20.911 -16.564 1.00 0.00 C ATOM 1117 C THR A 71 -12.288 -20.259 -17.739 1.00 0.00 C ATOM 1118 O THR A 71 -12.396 -19.035 -17.811 1.00 0.00 O ATOM 1119 CB THR A 71 -10.128 -21.236 -16.948 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.454 -21.874 -15.877 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.322 -20.014 -17.336 1.00 0.00 C ATOM 0 H THR A 71 -11.741 -22.981 -16.270 1.00 0.00 H new ATOM 0 HA THR A 71 -11.563 -20.211 -15.729 1.00 0.00 H new ATOM 0 HB THR A 71 -10.201 -21.893 -17.815 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.585 -22.203 -16.187 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.308 -20.315 -17.597 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.788 -19.528 -18.193 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.289 -19.318 -16.497 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.784 -21.084 -18.656 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.499 -20.584 -19.823 1.00 0.00 C ATOM 1131 C ALA A 72 -14.751 -19.824 -19.402 1.00 0.00 C ATOM 1132 O ALA A 72 -14.977 -18.696 -19.837 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.853 -21.725 -20.764 1.00 0.00 C ATOM 0 H ALA A 72 -12.704 -22.100 -18.613 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.845 -19.894 -20.355 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.386 -21.331 -21.629 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.940 -22.220 -21.095 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.487 -22.443 -20.243 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.560 -20.441 -18.547 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.780 -19.803 -18.069 1.00 0.00 C ATOM 1141 C ILE A 73 -16.447 -18.514 -17.324 1.00 0.00 C ATOM 1142 O ILE A 73 -17.094 -17.485 -17.521 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.587 -20.741 -17.146 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -18.033 -21.986 -17.913 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.790 -20.014 -16.560 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -17.981 -23.253 -17.088 1.00 0.00 C ATOM 0 H ILE A 73 -15.394 -21.376 -18.173 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.392 -19.573 -18.941 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.944 -21.053 -16.323 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -19.051 -21.837 -18.272 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.400 -22.108 -18.792 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.345 -20.693 -15.913 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.450 -19.156 -15.980 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.437 -19.672 -17.368 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.311 -24.096 -17.695 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -16.959 -23.426 -16.751 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.636 -23.151 -16.223 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.423 -18.573 -16.481 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.996 -17.406 -15.722 1.00 0.00 C ATOM 1160 C ASN A 74 -14.496 -16.319 -16.669 1.00 0.00 C ATOM 1161 O ASN A 74 -14.753 -15.134 -16.461 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.896 -17.787 -14.728 1.00 0.00 C ATOM 1163 CG ASN A 74 -14.228 -17.364 -13.310 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -15.119 -16.543 -13.087 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -13.510 -17.922 -12.342 1.00 0.00 N ATOM 0 H ASN A 74 -14.874 -19.415 -16.307 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.850 -17.023 -15.163 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.742 -18.866 -14.756 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.958 -17.323 -15.033 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.687 -17.675 -11.368 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.781 -18.598 -12.572 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.790 -16.737 -17.716 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.265 -15.804 -18.706 1.00 0.00 C ATOM 1174 C GLU A 75 -14.405 -15.142 -19.469 1.00 0.00 C ATOM 1175 O GLU A 75 -14.405 -13.927 -19.667 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.321 -16.520 -19.674 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.861 -16.459 -19.258 1.00 0.00 C ATOM 1178 CD GLU A 75 -9.918 -16.844 -20.382 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -10.050 -16.277 -21.487 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -9.049 -17.712 -20.156 1.00 0.00 O ATOM 0 H GLU A 75 -13.569 -17.716 -17.900 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.701 -15.031 -18.184 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.623 -17.564 -19.757 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.426 -16.078 -20.665 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.625 -15.450 -18.920 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.700 -17.125 -18.410 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.390 -15.935 -19.883 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.537 -15.399 -20.603 1.00 0.00 C ATOM 1189 C LEU A 76 -17.129 -14.228 -19.825 1.00 0.00 C ATOM 1190 O LEU A 76 -17.186 -13.104 -20.326 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.589 -16.490 -20.830 1.00 0.00 C ATOM 1192 CG LEU A 76 -18.979 -15.986 -21.229 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.448 -16.663 -22.506 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.977 -16.219 -20.105 1.00 0.00 C ATOM 0 H LEU A 76 -15.416 -16.944 -19.733 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.210 -15.043 -21.580 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.228 -17.164 -21.607 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.682 -17.078 -19.917 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.913 -14.914 -21.413 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.437 -16.291 -22.773 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.748 -16.443 -23.312 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.495 -17.741 -22.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.958 -15.854 -20.408 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -20.038 -17.285 -19.888 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.651 -15.685 -19.213 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.545 -14.488 -18.589 1.00 0.00 N ATOM 1207 CA ILE A 77 -18.099 -13.437 -17.746 1.00 0.00 C ATOM 1208 C ILE A 77 -17.086 -12.306 -17.592 1.00 0.00 C ATOM 1209 O ILE A 77 -17.463 -11.143 -17.448 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.508 -13.963 -16.356 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.434 -15.172 -16.495 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -19.181 -12.862 -15.549 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.876 -15.750 -15.168 1.00 0.00 C ATOM 0 H ILE A 77 -17.509 -15.409 -18.153 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.999 -13.065 -18.236 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.610 -14.278 -15.825 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.315 -14.881 -17.067 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.924 -15.946 -17.068 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.464 -13.249 -14.570 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.490 -12.029 -15.424 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.072 -12.519 -16.075 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.530 -16.604 -15.343 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.002 -16.072 -14.602 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -20.415 -14.990 -14.602 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.800 -12.643 -17.661 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.750 -11.659 -17.571 1.00 0.00 C ATOM 1227 C ASN A 78 -14.908 -10.626 -18.684 1.00 0.00 C ATOM 1228 O ASN A 78 -14.569 -9.454 -18.519 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.409 -12.367 -17.680 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.360 -11.761 -16.784 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -11.749 -10.744 -17.108 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -12.151 -12.396 -15.642 1.00 0.00 N ATOM 0 H ASN A 78 -15.469 -13.601 -17.780 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.806 -11.137 -16.616 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.536 -13.419 -17.425 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.065 -12.329 -18.714 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.456 -12.045 -14.983 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.685 -13.236 -15.421 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.458 -11.079 -19.810 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.708 -10.217 -20.961 1.00 0.00 C ATOM 1241 C LYS A 79 -17.033 -9.491 -20.784 1.00 0.00 C ATOM 1242 O LYS A 79 -17.199 -8.373 -21.272 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.711 -11.021 -22.264 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.321 -11.328 -22.800 1.00 0.00 C ATOM 1245 CD LYS A 79 -13.996 -12.810 -22.700 1.00 0.00 C ATOM 1246 CE LYS A 79 -12.536 -13.083 -23.024 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.958 -14.135 -22.143 1.00 0.00 N ATOM 0 H LYS A 79 -15.741 -12.049 -19.948 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.903 -9.485 -21.023 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.242 -11.959 -22.100 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.268 -10.467 -23.020 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.253 -11.010 -23.840 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.581 -10.754 -22.242 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.219 -13.165 -21.694 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.633 -13.370 -23.385 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.447 -13.393 -24.065 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.962 -12.163 -22.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.924 -14.029 -22.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.348 -14.038 -21.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.198 -15.074 -22.520 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.960 -10.094 -20.049 1.00 0.00 N ATOM 1262 CA LEU A 80 -19.234 -9.441 -19.787 1.00 0.00 C ATOM 1263 C LEU A 80 -18.961 -8.182 -18.975 1.00 0.00 C ATOM 1264 O LEU A 80 -19.403 -7.086 -19.320 1.00 0.00 O ATOM 1265 CB LEU A 80 -20.181 -10.374 -19.029 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.582 -11.644 -19.784 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.347 -12.589 -18.872 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.411 -11.294 -21.010 1.00 0.00 C ATOM 0 H LEU A 80 -17.856 -11.018 -19.631 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.718 -9.184 -20.729 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.708 -10.662 -18.090 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -21.085 -9.821 -18.774 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.675 -12.149 -20.115 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.623 -13.486 -19.427 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.719 -12.865 -18.025 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.248 -12.095 -18.509 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.688 -12.208 -21.535 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -22.313 -10.766 -20.701 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.827 -10.657 -21.674 1.00 0.00 H new ATOM 1280 N GLU A 81 -18.182 -8.360 -17.913 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.772 -7.268 -17.050 1.00 0.00 C ATOM 1282 C GLU A 81 -16.984 -6.232 -17.839 1.00 0.00 C ATOM 1283 O GLU A 81 -17.266 -5.036 -17.775 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.911 -7.820 -15.921 1.00 0.00 C ATOM 1285 CG GLU A 81 -17.035 -7.042 -14.626 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.426 -7.771 -13.445 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -15.602 -8.682 -13.668 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -16.776 -7.433 -12.294 1.00 0.00 O ATOM 0 H GLU A 81 -17.818 -9.270 -17.629 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.659 -6.787 -16.638 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.188 -8.858 -15.739 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.868 -7.819 -16.237 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.548 -6.074 -14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.088 -6.847 -14.424 1.00 0.00 H new ATOM 1295 N ARG A 82 -15.989 -6.705 -18.579 1.00 0.00 N ATOM 1296 CA ARG A 82 -15.147 -5.826 -19.382 1.00 0.00 C ATOM 1297 C ARG A 82 -15.963 -5.117 -20.459 1.00 0.00 C ATOM 1298 O ARG A 82 -15.594 -4.035 -20.916 1.00 0.00 O ATOM 1299 CB ARG A 82 -14.012 -6.623 -20.028 1.00 0.00 C ATOM 1300 CG ARG A 82 -12.815 -6.829 -19.112 1.00 0.00 C ATOM 1301 CD ARG A 82 -11.895 -7.923 -19.631 1.00 0.00 C ATOM 1302 NE ARG A 82 -10.528 -7.443 -19.817 1.00 0.00 N ATOM 1303 CZ ARG A 82 -10.130 -6.724 -20.864 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -10.991 -6.398 -21.820 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -8.867 -6.329 -20.955 1.00 0.00 N ATOM 0 H ARG A 82 -15.745 -7.693 -18.640 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.723 -5.071 -18.720 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.393 -7.596 -20.338 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.684 -6.107 -20.930 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.258 -5.896 -19.024 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.162 -7.089 -18.112 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.894 -8.759 -18.931 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.279 -8.301 -20.578 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.838 -7.672 -19.102 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.963 -6.699 -21.755 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.680 -5.847 -22.620 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.201 -6.576 -20.223 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.562 -5.778 -21.757 1.00 0.00 H new ATOM 1319 N GLN A 83 -17.076 -5.725 -20.854 1.00 0.00 N ATOM 1320 CA GLN A 83 -17.941 -5.144 -21.872 1.00 0.00 C ATOM 1321 C GLN A 83 -18.744 -3.986 -21.290 1.00 0.00 C ATOM 1322 O GLN A 83 -18.846 -2.919 -21.896 1.00 0.00 O ATOM 1323 CB GLN A 83 -18.888 -6.206 -22.435 1.00 0.00 C ATOM 1324 CG GLN A 83 -18.343 -6.918 -23.661 1.00 0.00 C ATOM 1325 CD GLN A 83 -19.377 -7.805 -24.327 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.752 -7.584 -25.479 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -19.844 -8.815 -23.604 1.00 0.00 N ATOM 0 H GLN A 83 -17.400 -6.619 -20.485 1.00 0.00 H new ATOM 0 HA GLN A 83 -17.315 -4.766 -22.680 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.096 -6.943 -21.660 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.837 -5.736 -22.690 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.988 -6.178 -24.378 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.482 -7.522 -23.373 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.505 -8.961 -22.653 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.542 -9.445 -23.999 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.308 -4.205 -20.108 1.00 0.00 N ATOM 1337 CA LEU A 84 -20.100 -3.183 -19.436 1.00 0.00 C ATOM 1338 C LEU A 84 -19.228 -1.995 -19.038 1.00 0.00 C ATOM 1339 O LEU A 84 -19.693 -0.857 -18.989 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.768 -3.766 -18.192 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.873 -4.792 -18.464 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.588 -6.099 -17.736 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -23.231 -4.235 -18.053 1.00 0.00 C ATOM 0 H LEU A 84 -19.231 -5.083 -19.595 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.866 -2.838 -20.130 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -20.002 -4.236 -17.575 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -21.190 -2.948 -17.609 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.893 -4.997 -19.534 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.385 -6.812 -17.944 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.637 -6.507 -18.080 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.537 -5.914 -16.663 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -24.004 -4.977 -18.253 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.221 -4.000 -16.989 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -23.441 -3.330 -18.623 1.00 0.00 H new ATOM 1355 N ASN A 85 -17.959 -2.277 -18.748 1.00 0.00 N ATOM 1356 CA ASN A 85 -17.013 -1.244 -18.346 1.00 0.00 C ATOM 1357 C ASN A 85 -16.832 -0.218 -19.457 1.00 0.00 C ATOM 1358 O ASN A 85 -16.517 0.945 -19.200 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.662 -1.872 -17.996 1.00 0.00 C ATOM 1360 CG ASN A 85 -14.813 -0.969 -17.124 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -15.323 -0.061 -16.469 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -13.507 -1.213 -17.114 1.00 0.00 N ATOM 0 H ASN A 85 -17.564 -3.217 -18.785 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.412 -0.739 -17.466 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.827 -2.819 -17.482 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.121 -2.099 -18.915 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.885 -0.636 -16.548 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.127 -1.977 -17.673 1.00 0.00 H new ATOM 1369 N LYS A 86 -17.031 -0.658 -20.696 1.00 0.00 N ATOM 1370 CA LYS A 86 -16.889 0.219 -21.848 1.00 0.00 C ATOM 1371 C LYS A 86 -18.048 1.208 -21.933 1.00 0.00 C ATOM 1372 O LYS A 86 -17.921 2.277 -22.530 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.814 -0.606 -23.135 1.00 0.00 C ATOM 1374 CG LYS A 86 -15.420 -1.127 -23.443 1.00 0.00 C ATOM 1375 CD LYS A 86 -14.806 -0.413 -24.637 1.00 0.00 C ATOM 1376 CE LYS A 86 -13.300 -0.609 -24.692 1.00 0.00 C ATOM 1377 NZ LYS A 86 -12.817 -0.813 -26.085 1.00 0.00 N ATOM 0 H LYS A 86 -17.291 -1.617 -20.925 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.965 0.784 -21.728 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.499 -1.450 -23.056 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.157 0.006 -23.969 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.780 -0.994 -22.571 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.467 -2.197 -23.643 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.256 -0.787 -25.556 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.033 0.652 -24.581 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.805 0.261 -24.260 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.023 -1.469 -24.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.785 -0.943 -26.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.270 -1.657 -26.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.058 0.019 -26.661 1.00 0.00 H new